smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001237078363 1099957797 /nfs/dbraw/zinc/95/77/97/1099957797.db2.gz QAWHTEMIYCTYFL-ZJUUUORDSA-N 1 1 302.201 3.167 20 10 DGCDMO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001237078363 1099957806 /nfs/dbraw/zinc/95/78/06/1099957806.db2.gz QAWHTEMIYCTYFL-ZJUUUORDSA-N 1 1 302.201 3.167 20 10 DGCDMO C[C@@H]1C[C@H](C)C[N@@H+](CCCNCc2ccc3c(c2)CCCO3)C1 ZINC001648815020 1081928164 /nfs/dbraw/zinc/92/81/64/1081928164.db2.gz YRPBFFCZGFEMEF-CALCHBBNSA-N 1 1 316.489 3.469 20 10 DGCDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2ccc3c(c2)CCCO3)C1 ZINC001648815020 1081928169 /nfs/dbraw/zinc/92/81/69/1081928169.db2.gz YRPBFFCZGFEMEF-CALCHBBNSA-N 1 1 316.489 3.469 20 10 DGCDMO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1O ZINC001181023036 1083386772 /nfs/dbraw/zinc/38/67/72/1083386772.db2.gz QJBGFCOJFITLOP-INIZCTEOSA-N 1 1 321.367 3.444 20 10 DGCDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1O ZINC001181023036 1083386785 /nfs/dbraw/zinc/38/67/85/1083386785.db2.gz QJBGFCOJFITLOP-INIZCTEOSA-N 1 1 321.367 3.444 20 10 DGCDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC001181234104 1083437733 /nfs/dbraw/zinc/43/77/33/1083437733.db2.gz HBRBWKADHWFOGN-SFHVURJKSA-N 1 1 305.418 3.112 20 10 DGCDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001181590620 1083496759 /nfs/dbraw/zinc/49/67/59/1083496759.db2.gz OSOBWCAAKBJRBL-QGZVFWFLSA-N 1 1 318.461 3.396 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC001182162010 1083636174 /nfs/dbraw/zinc/63/61/74/1083636174.db2.gz WIZSRUJPGIPKNP-GFCCVEGCSA-N 1 1 322.330 3.178 20 10 DGCDMO C[C@@H](C[N@H+](C)Cc1cc(F)cc(F)c1O)C(=O)OC(C)(C)C ZINC001182239499 1083660125 /nfs/dbraw/zinc/66/01/25/1083660125.db2.gz ZPJQVLJIRYLSSZ-JTQLQIEISA-N 1 1 315.360 3.080 20 10 DGCDMO C[C@@H](C[N@@H+](C)Cc1cc(F)cc(F)c1O)C(=O)OC(C)(C)C ZINC001182239499 1083660132 /nfs/dbraw/zinc/66/01/32/1083660132.db2.gz ZPJQVLJIRYLSSZ-JTQLQIEISA-N 1 1 315.360 3.080 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(O)c1 ZINC001182978840 1083857373 /nfs/dbraw/zinc/85/73/73/1083857373.db2.gz OXYOTYFAIIOXLX-MRXNPFEDSA-N 1 1 313.397 3.363 20 10 DGCDMO CC(C)([NH2+]Cc1cc(F)c(F)cc1O)C(=O)Nc1ccccc1 ZINC001183084446 1083864439 /nfs/dbraw/zinc/86/44/39/1083864439.db2.gz MSPLJHANBMUJKC-UHFFFAOYSA-N 1 1 320.339 3.177 20 10 DGCDMO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])CCN1c1cc[nH+]cc1 ZINC001183532573 1083971387 /nfs/dbraw/zinc/97/13/87/1083971387.db2.gz DSNPVVHPPSZQJC-ZDUSSCGKSA-N 1 1 317.820 3.151 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])CCN1c1cc[nH+]cc1 ZINC001183532573 1083971399 /nfs/dbraw/zinc/97/13/99/1083971399.db2.gz DSNPVVHPPSZQJC-ZDUSSCGKSA-N 1 1 317.820 3.151 20 10 DGCDMO CCCSC[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001183532125 1083971460 /nfs/dbraw/zinc/97/14/60/1083971460.db2.gz AKZHFUQGSZICKR-MRXNPFEDSA-N 1 1 321.534 3.060 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1O ZINC001203602376 1084291480 /nfs/dbraw/zinc/29/14/80/1084291480.db2.gz RNLONMVXEVXVKH-HUUCEWRRSA-N 1 1 303.402 3.125 20 10 DGCDMO Oc1ccc(Br)cc1C[N@@H+]1CCCC[C@H](F)C1 ZINC001203635963 1084630908 /nfs/dbraw/zinc/63/09/08/1084630908.db2.gz LEDMSPYGZHSIGD-LBPRGKRZSA-N 1 1 302.187 3.479 20 10 DGCDMO Oc1ccc(Br)cc1C[N@H+]1CCCC[C@H](F)C1 ZINC001203635963 1084630911 /nfs/dbraw/zinc/63/09/11/1084630911.db2.gz LEDMSPYGZHSIGD-LBPRGKRZSA-N 1 1 302.187 3.479 20 10 DGCDMO Cc1ccc2cc(NCCc3cc(O)c(O)cc3O)[nH+]cc2c1 ZINC001168009328 1086177063 /nfs/dbraw/zinc/17/70/63/1086177063.db2.gz GRBPABGVWWTZGA-UHFFFAOYSA-N 1 1 310.353 3.315 20 10 DGCDMO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3cccnc3c2O)CCO1 ZINC001168079079 1086747126 /nfs/dbraw/zinc/74/71/26/1086747126.db2.gz OLAVPZSHPSEZTN-JQWIXIFHSA-N 1 1 306.793 3.251 20 10 DGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@H]2CCO[C@H](C)C2)C1 ZINC001168129925 1086958517 /nfs/dbraw/zinc/95/85/17/1086958517.db2.gz BDXVZXRECYXMDQ-KGLIPLIRSA-N 1 1 314.429 3.113 20 10 DGCDMO CCOC(=O)C[N@@H+](Cc1cccc(OCC)c1O)C1CCCC1 ZINC000093687018 1087191758 /nfs/dbraw/zinc/19/17/58/1087191758.db2.gz OAUXACIBGGPUHL-UHFFFAOYSA-N 1 1 321.417 3.099 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1Cl ZINC001232269471 1087588539 /nfs/dbraw/zinc/58/85/39/1087588539.db2.gz BLPLSWZVSCBLKW-CYBMUJFWSA-N 1 1 303.736 3.285 20 10 DGCDMO COCC[N@@H+](Cc1cc(F)cc(Br)c1[O-])C(C)C ZINC001235302960 1088304445 /nfs/dbraw/zinc/30/44/45/1088304445.db2.gz XGVBBNFQWKYWOL-UHFFFAOYSA-N 1 1 320.202 3.151 20 10 DGCDMO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C)ccc1O ZINC001272622329 1088332240 /nfs/dbraw/zinc/33/22/40/1088332240.db2.gz DUNJZAZMROPNPZ-DJIMGWMZSA-N 1 1 316.445 3.064 20 10 DGCDMO Nc1ccc(NCc2cc(Cl)c3cccnc3c2O)c[nH+]1 ZINC001168522846 1088533672 /nfs/dbraw/zinc/53/36/72/1088533672.db2.gz JUESLNIHVLQABE-UHFFFAOYSA-N 1 1 300.749 3.183 20 10 DGCDMO Cc1cc(C[N@H+]2CCC(F)(F)[C@H](N)C2)c(C)n1-c1ccccc1 ZINC001206655736 1089119167 /nfs/dbraw/zinc/11/91/67/1089119167.db2.gz IEFWFOZHXNXWDB-QGZVFWFLSA-N 1 1 319.399 3.262 20 10 DGCDMO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1ncnc2c1C[NH2+]C2 ZINC001163486363 1090197732 /nfs/dbraw/zinc/19/77/32/1090197732.db2.gz IPNQDNAUDWZBDM-QGZVFWFLSA-N 1 1 324.428 3.138 20 10 DGCDMO Oc1ccccc1C[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001203558570 1090614467 /nfs/dbraw/zinc/61/44/67/1090614467.db2.gz NDVQZSQLDCSGIU-UHFFFAOYSA-N 1 1 305.381 3.136 20 10 DGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H]1C ZINC001116443244 1090649566 /nfs/dbraw/zinc/64/95/66/1090649566.db2.gz LLDGTPZXTDPDEI-CVEARBPZSA-N 1 1 319.468 3.198 20 10 DGCDMO CCOc1ccccc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001203545967 1090751833 /nfs/dbraw/zinc/75/18/33/1090751833.db2.gz YBONFQACBKHYGZ-UHFFFAOYSA-N 1 1 313.397 3.445 20 10 DGCDMO Oc1ccc(Br)cc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001203636238 1090771336 /nfs/dbraw/zinc/77/13/36/1090771336.db2.gz QXJYIDPSRPIPAY-KOLCDFICSA-N 1 1 318.161 3.242 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203551569 1090754626 /nfs/dbraw/zinc/75/46/26/1090754626.db2.gz JCROBMBEPDYJKF-OAHLLOKOSA-N 1 1 320.433 3.224 20 10 DGCDMO COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1ccccc1O ZINC001203558713 1090755784 /nfs/dbraw/zinc/75/57/84/1090755784.db2.gz XNCKIOHUVODQFB-HNNXBMFYSA-N 1 1 315.413 3.438 20 10 DGCDMO C[C@]1(c2ccc(F)cc2)C[N@@H+](Cc2ccccc2O)CCO1 ZINC001203558512 1090755972 /nfs/dbraw/zinc/75/59/72/1090755972.db2.gz LLNPJUBKYMNFOY-GOSISDBHSA-N 1 1 301.361 3.279 20 10 DGCDMO Oc1ccccc1C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001203561655 1090756526 /nfs/dbraw/zinc/75/65/26/1090756526.db2.gz XRLRTYHJLLEOQB-IEBWSBKVSA-N 1 1 308.425 3.099 20 10 DGCDMO O=C1Nc2ccccc2CN1[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC001203561167 1090756947 /nfs/dbraw/zinc/75/69/47/1090756947.db2.gz MNHMCZPRHGOMIL-INIZCTEOSA-N 1 1 323.396 3.014 20 10 DGCDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2O)[C@H]1c1ccccc1 ZINC001203563105 1090757790 /nfs/dbraw/zinc/75/77/90/1090757790.db2.gz VOXMSFBKQKCPDC-WMZOPIPTSA-N 1 1 311.381 3.128 20 10 DGCDMO COc1cccc(CN2CCCC[C@@H]2CC[NH+]2CCCC2)c1O ZINC001203596009 1090764193 /nfs/dbraw/zinc/76/41/93/1090764193.db2.gz YIUOVXJAWOMHQY-QGZVFWFLSA-N 1 1 318.461 3.241 20 10 DGCDMO CCCC[NH+]1CCC(N(C)Cc2cccc(OC)c2O)CC1 ZINC001203601763 1090765286 /nfs/dbraw/zinc/76/52/86/1090765286.db2.gz KFKVPWAZACVPDW-UHFFFAOYSA-N 1 1 306.450 3.097 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c1O ZINC001203602351 1090765641 /nfs/dbraw/zinc/76/56/41/1090765641.db2.gz QHZVWRQBEYUGLA-ZDUSSCGKSA-N 1 1 303.324 3.360 20 10 DGCDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(OC)cc1O)C2 ZINC001203621357 1090768160 /nfs/dbraw/zinc/76/81/60/1090768160.db2.gz BMGGBGOYKUHYLK-QAPCUYQASA-N 1 1 305.418 3.039 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)c(O)c1 ZINC001203621024 1090768418 /nfs/dbraw/zinc/76/84/18/1090768418.db2.gz NZUIZMOJPVLLCK-CYBMUJFWSA-N 1 1 307.287 3.125 20 10 DGCDMO CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(OC)cc1O ZINC001203634507 1090770109 /nfs/dbraw/zinc/77/01/09/1090770109.db2.gz JRGGMKBUFVCBLD-UHFFFAOYSA-N 1 1 315.413 3.474 20 10 DGCDMO COc1cc2c(cn1)CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203665641 1090775763 /nfs/dbraw/zinc/77/57/63/1090775763.db2.gz QUYBNSVGKYNAGG-UHFFFAOYSA-N 1 1 304.777 3.008 20 10 DGCDMO COc1cc2c(cn1)CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203665641 1090775768 /nfs/dbraw/zinc/77/57/68/1090775768.db2.gz QUYBNSVGKYNAGG-UHFFFAOYSA-N 1 1 304.777 3.008 20 10 DGCDMO COC(=O)c1cccc(C[N@@H+](C)Cc2cc(Cl)ccc2O)c1 ZINC001203664377 1090776115 /nfs/dbraw/zinc/77/61/15/1090776115.db2.gz BZGWKBLVRAKNSX-UHFFFAOYSA-N 1 1 319.788 3.464 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]2COCc2ccccc2)c1 ZINC001203677948 1090779051 /nfs/dbraw/zinc/77/90/51/1090779051.db2.gz BRUHUGIMHFTYCA-KRWDZBQOSA-N 1 1 313.397 3.192 20 10 DGCDMO Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203879663 1090826472 /nfs/dbraw/zinc/82/64/72/1090826472.db2.gz WZACWUTWCMPOPN-INIZCTEOSA-N 1 1 313.397 3.450 20 10 DGCDMO CN(C)c1ccc(CN2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)cc1 ZINC001203934007 1090842694 /nfs/dbraw/zinc/84/26/94/1090842694.db2.gz JHGUXWSMYOIUFX-SFTDATJTSA-N 1 1 321.468 3.211 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cc1 ZINC001203934007 1090842696 /nfs/dbraw/zinc/84/26/96/1090842696.db2.gz JHGUXWSMYOIUFX-SFTDATJTSA-N 1 1 321.468 3.211 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cc1 ZINC001203934007 1090842698 /nfs/dbraw/zinc/84/26/98/1090842698.db2.gz JHGUXWSMYOIUFX-SFTDATJTSA-N 1 1 321.468 3.211 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C(=O)OC)CC[C@H]2C)cc1 ZINC001203939333 1090844137 /nfs/dbraw/zinc/84/41/37/1090844137.db2.gz OSJHLHGKYMIOLM-WBVHZDCISA-N 1 1 318.461 3.306 20 10 DGCDMO C[C@H]1C(=O)CC[N@@H+](Cc2ccc(N(C)C)cc2)C12CCCC2 ZINC001203937333 1090844356 /nfs/dbraw/zinc/84/43/56/1090844356.db2.gz VJHWGPBPXGYINF-HNNXBMFYSA-N 1 1 300.446 3.476 20 10 DGCDMO CCN(CC)c1ccc(CN2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC001203942818 1090845399 /nfs/dbraw/zinc/84/53/99/1090845399.db2.gz SBFBZBNHIZORFA-MJGOQNOKSA-N 1 1 301.478 3.059 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]3CN(C)C[C@@H]32)cc1 ZINC001203942818 1090845407 /nfs/dbraw/zinc/84/54/07/1090845407.db2.gz SBFBZBNHIZORFA-MJGOQNOKSA-N 1 1 301.478 3.059 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]3CN(C)C[C@@H]32)cc1 ZINC001203942818 1090845413 /nfs/dbraw/zinc/84/54/13/1090845413.db2.gz SBFBZBNHIZORFA-MJGOQNOKSA-N 1 1 301.478 3.059 20 10 DGCDMO CCC[N@H+]1C[C@H]2CN(Cc3ccc(N(CC)CC)cc3)C[C@H]2C1 ZINC001203946560 1090847980 /nfs/dbraw/zinc/84/79/80/1090847980.db2.gz VPSIPDGCCAYZPY-KDURUIRLSA-N 1 1 315.505 3.306 20 10 DGCDMO CCC[N@@H+]1C[C@H]2CN(Cc3ccc(N(CC)CC)cc3)C[C@H]2C1 ZINC001203946560 1090847986 /nfs/dbraw/zinc/84/79/86/1090847986.db2.gz VPSIPDGCCAYZPY-KDURUIRLSA-N 1 1 315.505 3.306 20 10 DGCDMO CCC[NH+]1C[C@@H]2CN(Cc3ccc(N(CC)CC)cc3)C[C@H]2C1 ZINC001203946562 1090848245 /nfs/dbraw/zinc/84/82/45/1090848245.db2.gz VPSIPDGCCAYZPY-RTBURBONSA-N 1 1 315.505 3.306 20 10 DGCDMO CN1CC2(C1)CCC[N@@H+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001276445502 1090911588 /nfs/dbraw/zinc/91/15/88/1090911588.db2.gz NTFODZJLZLIHMZ-UHFFFAOYSA-N 1 1 302.462 3.217 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCN(C)C(C)(C)C2)c2ccccc21 ZINC001204240105 1090931424 /nfs/dbraw/zinc/93/14/24/1090931424.db2.gz IDZMJHFEIKOOEE-UHFFFAOYSA-N 1 1 311.473 3.432 20 10 DGCDMO CN(C)c1ccc(CN2CC[N@H+](C)C(C)(C)C2)c2ccccc21 ZINC001204240105 1090931430 /nfs/dbraw/zinc/93/14/30/1090931430.db2.gz IDZMJHFEIKOOEE-UHFFFAOYSA-N 1 1 311.473 3.432 20 10 DGCDMO CN(C)c1ccc(CN2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC001204240105 1090931432 /nfs/dbraw/zinc/93/14/32/1090931432.db2.gz IDZMJHFEIKOOEE-UHFFFAOYSA-N 1 1 311.473 3.432 20 10 DGCDMO CC(C)[N@@H+](CCCO)Cc1ccc(N(C)C)c2ccccc12 ZINC001204242460 1090932439 /nfs/dbraw/zinc/93/24/39/1090932439.db2.gz PSBHCEDMOKXMNI-UHFFFAOYSA-N 1 1 300.446 3.499 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@H](C)N1C ZINC001204242255 1090932578 /nfs/dbraw/zinc/93/25/78/1090932578.db2.gz NBOUSJGFHTUTKM-IYBDPMFKSA-N 1 1 311.473 3.430 20 10 DGCDMO C[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)C[C@H](C)[N@H+]1C ZINC001204242255 1090932582 /nfs/dbraw/zinc/93/25/82/1090932582.db2.gz NBOUSJGFHTUTKM-IYBDPMFKSA-N 1 1 311.473 3.430 20 10 DGCDMO C[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)C[C@H](C)[N@@H+]1C ZINC001204242255 1090932586 /nfs/dbraw/zinc/93/25/86/1090932586.db2.gz NBOUSJGFHTUTKM-IYBDPMFKSA-N 1 1 311.473 3.430 20 10 DGCDMO Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204274664 1090938266 /nfs/dbraw/zinc/93/82/66/1090938266.db2.gz FGPVNSFYTNHMTD-QGZVFWFLSA-N 1 1 313.397 3.450 20 10 DGCDMO COc1cc(C[N@@H+](C)CCc2ccc(Cl)cc2)cc(O)c1O ZINC001204344897 1090952503 /nfs/dbraw/zinc/95/25/03/1090952503.db2.gz KTHXCEOBPAOBNW-UHFFFAOYSA-N 1 1 321.804 3.434 20 10 DGCDMO C[N@H+]1CCN(Cc2ccc(Cl)cc2O)C2(CCCCC2)C1 ZINC001204360145 1090956288 /nfs/dbraw/zinc/95/62/88/1090956288.db2.gz SDOLOIYLKUQBGS-UHFFFAOYSA-N 1 1 308.853 3.496 20 10 DGCDMO CN1CC[N@H+](Cc2ccc(Cl)cc2O)C2(CCCCC2)C1 ZINC001204360145 1090956290 /nfs/dbraw/zinc/95/62/90/1090956290.db2.gz SDOLOIYLKUQBGS-UHFFFAOYSA-N 1 1 308.853 3.496 20 10 DGCDMO CN1CC[N@@H+](Cc2ccc(Cl)cc2O)C2(CCCCC2)C1 ZINC001204360145 1090956294 /nfs/dbraw/zinc/95/62/94/1090956294.db2.gz SDOLOIYLKUQBGS-UHFFFAOYSA-N 1 1 308.853 3.496 20 10 DGCDMO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1Cc1ccc(N)cc1 ZINC001204896478 1091058016 /nfs/dbraw/zinc/05/80/16/1091058016.db2.gz JTWYSDZEOQUXCQ-OAHLLOKOSA-N 1 1 313.420 3.114 20 10 DGCDMO CC1([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3O)C2)OCCO1 ZINC001204938170 1091067508 /nfs/dbraw/zinc/06/75/08/1091067508.db2.gz PFXIPRWYKZJFOZ-ZDUSSCGKSA-N 1 1 311.809 3.021 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC001205101130 1091102195 /nfs/dbraw/zinc/10/21/95/1091102195.db2.gz OFRACHJROCJJPA-FNYRVFDFSA-N 1 1 316.489 3.495 20 10 DGCDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219590 1091118109 /nfs/dbraw/zinc/11/81/09/1091118109.db2.gz ICNHGSPQXKFMMX-KRWDZBQOSA-N 1 1 316.445 3.062 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@]1(C)O ZINC001138215641 1091118754 /nfs/dbraw/zinc/11/87/54/1091118754.db2.gz MNLFLLUJDZJLIO-LPHOPBHVSA-N 1 1 302.462 3.270 20 10 DGCDMO FC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC001138220803 1091119896 /nfs/dbraw/zinc/11/98/96/1091119896.db2.gz NFZKFEOAQXSXNY-JLYLLQBASA-N 1 1 318.436 3.378 20 10 DGCDMO FC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC001138220803 1091119898 /nfs/dbraw/zinc/11/98/98/1091119898.db2.gz NFZKFEOAQXSXNY-JLYLLQBASA-N 1 1 318.436 3.378 20 10 DGCDMO O=C1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]12 ZINC001138222083 1091119905 /nfs/dbraw/zinc/11/99/05/1091119905.db2.gz GFOSMHXMCIJHIK-HKUYNNGSSA-N 1 1 312.457 3.478 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001138220396 1091120100 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CN1CCCc2cc(C[N@H+]3CCO[C@H](c4ccncc4)C3)ccc21 ZINC001138356077 1091150606 /nfs/dbraw/zinc/15/06/06/1091150606.db2.gz GWEAFVMWPXSXKQ-FQEVSTJZSA-N 1 1 323.440 3.038 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](O)[C@H](C)C2)c(OC)c1 ZINC001138386172 1091161110 /nfs/dbraw/zinc/16/11/10/1091161110.db2.gz IIOYEQUSFGPJDM-QAPCUYQASA-N 1 1 320.477 3.134 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(OC)c1 ZINC001138386400 1091161395 /nfs/dbraw/zinc/16/13/95/1091161395.db2.gz LUDNJGUGSWEING-CALCHBBNSA-N 1 1 316.445 3.237 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)C2CCN(C)CC2)c(OC)c1 ZINC001138387350 1091162579 /nfs/dbraw/zinc/16/25/79/1091162579.db2.gz CKXOJOSWCXEBTE-UHFFFAOYSA-N 1 1 319.493 3.067 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C2CCN(C)CC2)c(OC)c1 ZINC001138387350 1091162584 /nfs/dbraw/zinc/16/25/84/1091162584.db2.gz CKXOJOSWCXEBTE-UHFFFAOYSA-N 1 1 319.493 3.067 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001138388524 1091162704 /nfs/dbraw/zinc/16/27/04/1091162704.db2.gz WNQFNRHERVRSKW-GASCZTMLSA-N 1 1 306.450 3.151 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001138388524 1091162707 /nfs/dbraw/zinc/16/27/07/1091162707.db2.gz WNQFNRHERVRSKW-GASCZTMLSA-N 1 1 306.450 3.151 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCn3cccc3C2)c(OC)c1 ZINC001138389876 1091162717 /nfs/dbraw/zinc/16/27/17/1091162717.db2.gz SSTRDKDSEQUNIC-UHFFFAOYSA-N 1 1 313.445 3.359 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCn3cccc3C2)c(OC)c1 ZINC001138389876 1091162720 /nfs/dbraw/zinc/16/27/20/1091162720.db2.gz SSTRDKDSEQUNIC-UHFFFAOYSA-N 1 1 313.445 3.359 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(OC)c1 ZINC001138390198 1091162955 /nfs/dbraw/zinc/16/29/55/1091162955.db2.gz YUDFLSMOCWOJGA-BHYGNILZSA-N 1 1 306.425 3.474 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCOCC23CCC3)c(OC)c1 ZINC001138388932 1091163201 /nfs/dbraw/zinc/16/32/01/1091163201.db2.gz BBGALPUVQQELTF-UHFFFAOYSA-N 1 1 318.461 3.296 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCOCC23CCC3)c(OC)c1 ZINC001138388932 1091163205 /nfs/dbraw/zinc/16/32/05/1091163205.db2.gz BBGALPUVQQELTF-UHFFFAOYSA-N 1 1 318.461 3.296 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)c(OC)c1 ZINC001138386874 1091163965 /nfs/dbraw/zinc/16/39/65/1091163965.db2.gz YPWRARRKIDNKPF-KXBFYZLASA-N 1 1 320.477 3.134 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@]3(CCO3)C2)c(OC)c1 ZINC001138390459 1091165075 /nfs/dbraw/zinc/16/50/75/1091165075.db2.gz XSHCPOLLSCZZOR-LJQANCHMSA-N 1 1 318.461 3.296 20 10 DGCDMO COc1ccc(C)cc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001138487416 1091201758 /nfs/dbraw/zinc/20/17/58/1091201758.db2.gz RKNZSXCQQKSHAS-UHFFFAOYSA-N 1 1 313.397 3.363 20 10 DGCDMO [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001205578512 1091265511 /nfs/dbraw/zinc/26/55/11/1091265511.db2.gz DQLAGXXWCYPYRM-AWEZNQCLSA-N 1 1 321.223 3.352 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1cnn(-c3ccc(F)cc3)c1)CC2 ZINC001138653961 1091277312 /nfs/dbraw/zinc/27/73/12/1091277312.db2.gz ONRHWSMYTWZLKR-UHFFFAOYSA-N 1 1 323.371 3.275 20 10 DGCDMO CCc1ccc([C@@H](O)C[NH2+]Cc2cc(F)c(F)cc2O)cc1 ZINC001205747484 1091332128 /nfs/dbraw/zinc/33/21/28/1091332128.db2.gz KIADVVWBLRCXPV-KRWDZBQOSA-N 1 1 307.340 3.056 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3C[C@H](C)CC[C@H]3CN)c2c1 ZINC001205842023 1091376553 /nfs/dbraw/zinc/37/65/53/1091376553.db2.gz MCDSCPSZOVBWGZ-HIFRSBDPSA-N 1 1 314.429 3.113 20 10 DGCDMO C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001205902235 1091398968 /nfs/dbraw/zinc/39/89/68/1091398968.db2.gz JCTYLNGZWTUOPD-UWVGGRQHSA-N 1 1 303.233 3.258 20 10 DGCDMO C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001205902235 1091398975 /nfs/dbraw/zinc/39/89/75/1091398975.db2.gz JCTYLNGZWTUOPD-UWVGGRQHSA-N 1 1 303.233 3.258 20 10 DGCDMO Cc1ccc(C[N@H+](C)Cc2c([O-])ccc3c(C)cc(=O)oc32)cn1 ZINC001139129548 1091459319 /nfs/dbraw/zinc/45/93/19/1091459319.db2.gz AAAFCEZWNVWWDD-UHFFFAOYSA-N 1 1 324.380 3.142 20 10 DGCDMO Cc1ccc(CN(C)Cc2c([O-])ccc3c(C)cc(=O)oc32)cn1 ZINC001139129548 1091459326 /nfs/dbraw/zinc/45/93/26/1091459326.db2.gz AAAFCEZWNVWWDD-UHFFFAOYSA-N 1 1 324.380 3.142 20 10 DGCDMO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC001139129224 1091459441 /nfs/dbraw/zinc/45/94/41/1091459441.db2.gz RCNBVCZHEBUYLW-AAEUAGOBSA-N 1 1 301.386 3.427 20 10 DGCDMO C[C@H]1CC[C@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001139411427 1091551986 /nfs/dbraw/zinc/55/19/86/1091551986.db2.gz LFQKCSCFPZYRLW-UAPYVXQJSA-N 1 1 315.505 3.449 20 10 DGCDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001139411427 1091551996 /nfs/dbraw/zinc/55/19/96/1091551996.db2.gz LFQKCSCFPZYRLW-UAPYVXQJSA-N 1 1 315.505 3.449 20 10 DGCDMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140060439 1091754556 /nfs/dbraw/zinc/75/45/56/1091754556.db2.gz WBDFSKAYKUNPHA-INIZCTEOSA-N 1 1 314.360 3.134 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)Cc1c(O)cccc1Br ZINC001140103264 1091768713 /nfs/dbraw/zinc/76/87/13/1091768713.db2.gz GPCQUURAFVLADH-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO Oc1cccc(Br)c1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001140100430 1091768981 /nfs/dbraw/zinc/76/89/81/1091768981.db2.gz OWSKMAZJPRPPCI-SCZZXKLOSA-N 1 1 318.161 3.242 20 10 DGCDMO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2c(C)ccc(C)c2O)no1 ZINC001140182483 1091793932 /nfs/dbraw/zinc/79/39/32/1091793932.db2.gz RMDUMEXQFJKCAW-HNNXBMFYSA-N 1 1 301.390 3.428 20 10 DGCDMO Cc1nc([C@@H]2CCCC[N@H+]2Cc2c(C)ccc(C)c2O)no1 ZINC001140182483 1091793940 /nfs/dbraw/zinc/79/39/40/1091793940.db2.gz RMDUMEXQFJKCAW-HNNXBMFYSA-N 1 1 301.390 3.428 20 10 DGCDMO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140463205 1091875989 /nfs/dbraw/zinc/87/59/89/1091875989.db2.gz VVUBGFRIIOOGHX-VXGBXAGGSA-N 1 1 323.742 3.181 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC001140621100 1091934636 /nfs/dbraw/zinc/93/46/36/1091934636.db2.gz OMFUXGWEZGUXHB-UYAOXDASSA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1ccc(O)c(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001140621100 1091934646 /nfs/dbraw/zinc/93/46/46/1091934646.db2.gz OMFUXGWEZGUXHB-UYAOXDASSA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1ccc(O)c(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001140621100 1091934648 /nfs/dbraw/zinc/93/46/48/1091934648.db2.gz OMFUXGWEZGUXHB-UYAOXDASSA-N 1 1 322.452 3.407 20 10 DGCDMO COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(C)ccc1O)C2 ZINC001140621591 1091935056 /nfs/dbraw/zinc/93/50/56/1091935056.db2.gz LWZKCDMTBZASDV-QFBILLFUSA-N 1 1 319.445 3.108 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC001140624222 1091936029 /nfs/dbraw/zinc/93/60/29/1091936029.db2.gz LRBAFNVVIXSDIO-AZUAARDMSA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cc(C)c1O ZINC001140659512 1091947993 /nfs/dbraw/zinc/94/79/93/1091947993.db2.gz GQFUNVNRGKCTTB-UHFFFAOYSA-N 1 1 313.397 3.369 20 10 DGCDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140663760 1091949739 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C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)CC[C@@]1(C)O ZINC001140921273 1092062758 /nfs/dbraw/zinc/06/27/58/1092062758.db2.gz AQAWAAMSPLCSQI-CXAGYDPISA-N 1 1 310.869 3.389 20 10 DGCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2Cl)[C@H]1C ZINC001140925286 1092065688 /nfs/dbraw/zinc/06/56/88/1092065688.db2.gz QWVMSWBAZWRENS-WFASDCNBSA-N 1 1 324.852 3.180 20 10 DGCDMO Cc1ccc(C[N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140948285 1092075577 /nfs/dbraw/zinc/07/55/77/1092075577.db2.gz BMZHBIBYEROMMR-CQSZACIVSA-N 1 1 307.390 3.227 20 10 DGCDMO COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(C)cc1O)C2 ZINC001140952389 1092078002 /nfs/dbraw/zinc/07/80/02/1092078002.db2.gz PXGJBJUISWOYLX-APWZRJJASA-N 1 1 319.445 3.108 20 10 DGCDMO COC(=O)c1cccc2c1CC[N@@H+](Cc1ccc(C)cc1O)C2 ZINC001140954728 1092078999 /nfs/dbraw/zinc/07/89/99/1092078999.db2.gz XHOQIKYDPQBYRN-UHFFFAOYSA-N 1 1 311.381 3.046 20 10 DGCDMO Cc1ccc(C[N@H+]2CCc3nn(-c4ccccc4)cc3C2)c(O)c1 ZINC001140957743 1092081609 /nfs/dbraw/zinc/08/16/09/1092081609.db2.gz MHXLUTLSUHEXRB-UHFFFAOYSA-N 1 1 319.408 3.445 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC001207763462 1092092912 /nfs/dbraw/zinc/09/29/12/1092092912.db2.gz QBMGOVUXHMHJIJ-SNVBAGLBSA-N 1 1 310.369 3.192 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC001207763462 1092092920 /nfs/dbraw/zinc/09/29/20/1092092920.db2.gz QBMGOVUXHMHJIJ-SNVBAGLBSA-N 1 1 310.369 3.192 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ccncc2)c(OC)c1 ZINC001141028679 1092110832 /nfs/dbraw/zinc/11/08/32/1092110832.db2.gz ZOGZNIZJQIMTRZ-MRXNPFEDSA-N 1 1 314.385 3.142 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)CCc2ccc(C)cc2)c(OC)c1 ZINC001141028681 1092111035 /nfs/dbraw/zinc/11/10/35/1092111035.db2.gz ZQAPBZLJJDYXSQ-UHFFFAOYSA-N 1 1 315.413 3.392 20 10 DGCDMO CCCO[C@H]1CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141075948 1092129961 /nfs/dbraw/zinc/12/99/61/1092129961.db2.gz HIOYAJNXNDJDNG-IBGZPJMESA-N 1 1 314.473 3.386 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)[C@H](C)C1 ZINC001141079266 1092130981 /nfs/dbraw/zinc/13/09/81/1092130981.db2.gz ZPGLRYNLJGQNQL-BEFAXECRSA-N 1 1 314.473 3.385 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2ccc3c(c2)OCCN3C)c1 ZINC001141143073 1092149118 /nfs/dbraw/zinc/14/91/18/1092149118.db2.gz MEQANACKTPXELE-UHFFFAOYSA-N 1 1 312.413 3.156 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cc(F)cc2c1OCOC2 ZINC001141398028 1092229253 /nfs/dbraw/zinc/22/92/53/1092229253.db2.gz JLAZPPHTARUJHI-UHFFFAOYSA-N 1 1 317.360 3.420 20 10 DGCDMO CCN(CC[N@@H+](CC)Cc1ccccc1O)C(=O)OC(C)(C)C ZINC001208578882 1092402739 /nfs/dbraw/zinc/40/27/39/1092402739.db2.gz MIYSIKUNRBNRQE-UHFFFAOYSA-N 1 1 322.449 3.471 20 10 DGCDMO C[C@H](C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC001208893127 1092571060 /nfs/dbraw/zinc/57/10/60/1092571060.db2.gz FVMXAKRTWAWANP-CYBMUJFWSA-N 1 1 316.367 3.153 20 10 DGCDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)[C@H]1C ZINC001143110937 1092616563 /nfs/dbraw/zinc/61/65/63/1092616563.db2.gz UAOGBJRDTBTLRS-DZGCQCFKSA-N 1 1 319.445 3.463 20 10 DGCDMO COC(=O)C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143117186 1092617834 /nfs/dbraw/zinc/61/78/34/1092617834.db2.gz WQCFEFGOGITSQU-CYBMUJFWSA-N 1 1 305.418 3.075 20 10 DGCDMO CC[N@@H+](Cc1scc2c1OCCO2)Cc1ccccc1O ZINC001143191039 1092630622 /nfs/dbraw/zinc/63/06/22/1092630622.db2.gz UHKQSTHCXXVRPO-UHFFFAOYSA-N 1 1 305.399 3.247 20 10 DGCDMO C[C@@H]1CC(C[N@H+]2CCCc3cc(O)c(O)cc3C2)C[C@@H](C)O1 ZINC001209384378 1092748653 /nfs/dbraw/zinc/74/86/53/1092748653.db2.gz AIVHRYJILRJEGA-CHWSQXEVSA-N 1 1 305.418 3.050 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC3(C2)OCCO3)cc1 ZINC001209519208 1092805495 /nfs/dbraw/zinc/80/54/95/1092805495.db2.gz ZCHAFCOHSZWKEA-UHFFFAOYSA-N 1 1 312.413 3.043 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCc3c(cnn3C)C2)cc1 ZINC001209517286 1092806134 /nfs/dbraw/zinc/80/61/34/1092806134.db2.gz BAYSMWYLVOCNDN-UHFFFAOYSA-N 1 1 320.440 3.386 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCc3nccn3CC2)cc1 ZINC001209520191 1092808160 /nfs/dbraw/zinc/80/81/60/1092808160.db2.gz QMJDMNORGPNAOI-UHFFFAOYSA-N 1 1 320.440 3.349 20 10 DGCDMO COc1ccc2ccc([O-])c(C[N@@H+]3CCCC[C@H](C[NH3+])C3)c2c1 ZINC001206639904 1092879460 /nfs/dbraw/zinc/87/94/60/1092879460.db2.gz GEPMFMZEWNCQJX-CQSZACIVSA-N 1 1 314.429 3.115 20 10 DGCDMO COc1ccc2ccc([O-])c(C[N@H+]3CCCC[C@H](C[NH3+])C3)c2c1 ZINC001206639904 1092879469 /nfs/dbraw/zinc/87/94/69/1092879469.db2.gz GEPMFMZEWNCQJX-CQSZACIVSA-N 1 1 314.429 3.115 20 10 DGCDMO Oc1c(Cl)cc(F)cc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC001210265892 1093101753 /nfs/dbraw/zinc/10/17/53/1093101753.db2.gz BPDFSXCJELWRKU-INIZCTEOSA-N 1 1 320.795 3.331 20 10 DGCDMO COC(C)(C)C[N@@H+](C)Cc1cc(Br)ccc1O ZINC000404324050 1094253973 /nfs/dbraw/zinc/25/39/73/1094253973.db2.gz PRVZBQCXEVCSJY-UHFFFAOYSA-N 1 1 302.212 3.012 20 10 DGCDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001119964201 1094325660 /nfs/dbraw/zinc/32/56/60/1094325660.db2.gz ZCBBYOSGCPWBPZ-AEFFLSMTSA-N 1 1 302.487 3.472 20 10 DGCDMO CCc1ccc(CN2CC3(CC[N@H+]3C3CCCC3)C2)c(O)c1 ZINC001276804438 1094970505 /nfs/dbraw/zinc/97/05/05/1094970505.db2.gz FBNHDKOQKOBAIB-UHFFFAOYSA-N 1 1 300.446 3.157 20 10 DGCDMO CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139670178 1095619602 /nfs/dbraw/zinc/61/96/02/1095619602.db2.gz YWJDKJFFHVPBAD-INIZCTEOSA-N 1 1 318.461 3.226 20 10 DGCDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116719509 1095642312 /nfs/dbraw/zinc/64/23/12/1095642312.db2.gz HWYDGLSPXFCNAJ-JTDSTZFVSA-N 1 1 302.462 3.268 20 10 DGCDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2c(O)cc(O)cc2O)c1 ZINC001144514384 1095697930 /nfs/dbraw/zinc/69/79/30/1095697930.db2.gz AYPQOTDMOMXXNQ-INIZCTEOSA-N 1 1 315.369 3.149 20 10 DGCDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144509223 1095698676 /nfs/dbraw/zinc/69/86/76/1095698676.db2.gz PSBNKQIHUSSYNR-HNNXBMFYSA-N 1 1 315.369 3.149 20 10 DGCDMO CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137831882 1095756368 /nfs/dbraw/zinc/75/63/68/1095756368.db2.gz QWKJHPPVUQTGJX-LLVKDONJSA-N 1 1 311.353 3.057 20 10 DGCDMO CC(C)(C)OC(=O)O[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137831882 1095756381 /nfs/dbraw/zinc/75/63/81/1095756381.db2.gz QWKJHPPVUQTGJX-LLVKDONJSA-N 1 1 311.353 3.057 20 10 DGCDMO Cc1cccc(O[C@H]2CCC[N@H+](Cc3c(O)cccc3F)C2)n1 ZINC001137841459 1095759273 /nfs/dbraw/zinc/75/92/73/1095759273.db2.gz FRCOHEPLLXJZCQ-AWEZNQCLSA-N 1 1 316.376 3.278 20 10 DGCDMO Cc1cccc(O[C@H]2CCC[N@@H+](Cc3c(O)cccc3F)C2)n1 ZINC001137841459 1095759281 /nfs/dbraw/zinc/75/92/81/1095759281.db2.gz FRCOHEPLLXJZCQ-AWEZNQCLSA-N 1 1 316.376 3.278 20 10 DGCDMO Cc1cccc(OC2CC[NH+](Cc3c(O)cccc3F)CC2)n1 ZINC001137841514 1095759958 /nfs/dbraw/zinc/75/99/58/1095759958.db2.gz IBBBRUWNTCGEGS-UHFFFAOYSA-N 1 1 316.376 3.278 20 10 DGCDMO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001117630218 1095787328 /nfs/dbraw/zinc/78/73/28/1095787328.db2.gz PNDDIFRFKILZNM-PXNSSMCTSA-N 1 1 313.489 3.345 20 10 DGCDMO C[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001117630218 1095787341 /nfs/dbraw/zinc/78/73/41/1095787341.db2.gz PNDDIFRFKILZNM-PXNSSMCTSA-N 1 1 313.489 3.345 20 10 DGCDMO Oc1cccc2c1C[N@H+](Cc1cccc3c1OC(F)(F)O3)CC2 ZINC001138069828 1095864413 /nfs/dbraw/zinc/86/44/13/1095864413.db2.gz TZSUIEQYPOBWOE-UHFFFAOYSA-N 1 1 319.307 3.272 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1cccc3c1OC(F)(F)O3)CC2 ZINC001138069828 1095864432 /nfs/dbraw/zinc/86/44/32/1095864432.db2.gz TZSUIEQYPOBWOE-UHFFFAOYSA-N 1 1 319.307 3.272 20 10 DGCDMO CC(C)(C)OC(=O)O[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138122519 1095896867 /nfs/dbraw/zinc/89/68/67/1095896867.db2.gz KFPDSJIUIQKUCA-LBPRGKRZSA-N 1 1 311.353 3.057 20 10 DGCDMO CC(C)(C)OC(=O)O[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138122519 1095896884 /nfs/dbraw/zinc/89/68/84/1095896884.db2.gz KFPDSJIUIQKUCA-LBPRGKRZSA-N 1 1 311.353 3.057 20 10 DGCDMO COc1ccccc1O[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138127696 1095897316 /nfs/dbraw/zinc/89/73/16/1095897316.db2.gz MXKXZYXJGXSCCC-AWEZNQCLSA-N 1 1 317.360 3.193 20 10 DGCDMO COc1ccccc1O[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138127696 1095897337 /nfs/dbraw/zinc/89/73/37/1095897337.db2.gz MXKXZYXJGXSCCC-AWEZNQCLSA-N 1 1 317.360 3.193 20 10 DGCDMO COc1ccccc1O[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138127696 1095897354 /nfs/dbraw/zinc/89/73/54/1095897354.db2.gz MXKXZYXJGXSCCC-AWEZNQCLSA-N 1 1 317.360 3.193 20 10 DGCDMO Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)c1 ZINC001138130799 1095899050 /nfs/dbraw/zinc/89/90/50/1095899050.db2.gz IEILSXDSPUJPRR-OAHLLOKOSA-N 1 1 316.376 3.278 20 10 DGCDMO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3cccc(F)c3O)C2)c1 ZINC001138130799 1095899074 /nfs/dbraw/zinc/89/90/74/1095899074.db2.gz IEILSXDSPUJPRR-OAHLLOKOSA-N 1 1 316.376 3.278 20 10 DGCDMO Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3cccc(F)c3O)C2)c1 ZINC001138130799 1095899094 /nfs/dbraw/zinc/89/90/94/1095899094.db2.gz IEILSXDSPUJPRR-OAHLLOKOSA-N 1 1 316.376 3.278 20 10 DGCDMO [O-]c1c(F)cccc1C[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001138127777 1095900508 /nfs/dbraw/zinc/90/05/08/1095900508.db2.gz PIEWJHZLLJXKCH-MRXNPFEDSA-N 1 1 301.361 3.322 20 10 DGCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001138127777 1095900515 /nfs/dbraw/zinc/90/05/15/1095900515.db2.gz PIEWJHZLLJXKCH-MRXNPFEDSA-N 1 1 301.361 3.322 20 10 DGCDMO Oc1c(F)cccc1C[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001138127777 1095900522 /nfs/dbraw/zinc/90/05/22/1095900522.db2.gz PIEWJHZLLJXKCH-MRXNPFEDSA-N 1 1 301.361 3.322 20 10 DGCDMO C[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(Cl)cc1O ZINC001118027235 1095924619 /nfs/dbraw/zinc/92/46/19/1095924619.db2.gz VPPKZFKUQRDIFK-STQMWFEESA-N 1 1 324.852 3.345 20 10 DGCDMO COCCC1(C)C[NH+](Cc2ccc(Br)cc2O)C1 ZINC001118577839 1096040071 /nfs/dbraw/zinc/04/00/71/1096040071.db2.gz MCZXWGRCRWANHL-UHFFFAOYSA-N 1 1 314.223 3.013 20 10 DGCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)Cc2ccccc21 ZINC001118847447 1096091034 /nfs/dbraw/zinc/09/10/34/1096091034.db2.gz MNRQXBWGBGWNPA-IBGZPJMESA-N 1 1 324.424 3.025 20 10 DGCDMO C[C@@H](c1ccccc1)[N@@H+](CC[N+](=O)[O-])Cc1ccccc1O ZINC001119767837 1096258584 /nfs/dbraw/zinc/25/85/84/1096258584.db2.gz ADAKBAIMOYTPIH-AWEZNQCLSA-N 1 1 300.358 3.232 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CC[C@H](C3CC3)O2)cc1 ZINC001171730491 1096956507 /nfs/dbraw/zinc/95/65/07/1096956507.db2.gz WLLMJECRCRMTEC-RBUKOAKNSA-N 1 1 318.461 3.021 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CC[C@@H](C3CC3)O2)cc1 ZINC001171730489 1096956979 /nfs/dbraw/zinc/95/69/79/1096956979.db2.gz WLLMJECRCRMTEC-MOPGFXCFSA-N 1 1 318.461 3.021 20 10 DGCDMO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2O)CN1Cc1ccccc1 ZINC001171760692 1096964891 /nfs/dbraw/zinc/96/48/91/1096964891.db2.gz ZKSFKRHLBZHIGH-APWZRJJASA-N 1 1 310.441 3.487 20 10 DGCDMO C[C@@H]1C[C@H](N(C)Cc2ccccc2O)C[N@@H+]1Cc1ccccc1 ZINC001171760692 1096964893 /nfs/dbraw/zinc/96/48/93/1096964893.db2.gz ZKSFKRHLBZHIGH-APWZRJJASA-N 1 1 310.441 3.487 20 10 DGCDMO C[C@@H]1C[C@H](N(C)Cc2ccccc2O)C[N@H+]1Cc1ccccc1 ZINC001171760692 1096964896 /nfs/dbraw/zinc/96/48/96/1096964896.db2.gz ZKSFKRHLBZHIGH-APWZRJJASA-N 1 1 310.441 3.487 20 10 DGCDMO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C ZINC001172358224 1097124479 /nfs/dbraw/zinc/12/44/79/1097124479.db2.gz GNUFUVNKJVLXPI-AOIWGVFYSA-N 1 1 315.505 3.353 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172684401 1097208362 /nfs/dbraw/zinc/20/83/62/1097208362.db2.gz YFJFKSPNRVRAAN-SFHVURJKSA-N 1 1 324.424 3.015 20 10 DGCDMO COC(=O)[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001172808096 1097245010 /nfs/dbraw/zinc/24/50/10/1097245010.db2.gz QXXVBCWIMKMMHZ-FUHWJXTLSA-N 1 1 318.461 3.306 20 10 DGCDMO C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)c(C(C)(C)C)cc1O)C2 ZINC001277409454 1097364159 /nfs/dbraw/zinc/36/41/59/1097364159.db2.gz RAYKMFLHDNJMOH-OCCSQVGLSA-N 1 1 322.880 3.479 20 10 DGCDMO COC(=O)CCCC[C@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001173460982 1097453342 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C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177974477 228336334 /nfs/dbraw/zinc/33/63/34/228336334.db2.gz JPAVXLSUMFIYAD-GPMSIDNRSA-N 1 1 301.478 3.105 20 10 DGCDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)c(C)c1 ZINC000109772980 431177453 /nfs/dbraw/zinc/17/74/53/431177453.db2.gz QABBIGRPQUTFIX-HNNXBMFYSA-N 1 1 312.413 3.468 20 10 DGCDMO C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccccc1O ZINC000111235291 431201818 /nfs/dbraw/zinc/20/18/18/431201818.db2.gz VNJBQOYCMVUHFC-HXUWFJFHSA-N 1 1 324.424 3.092 20 10 DGCDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000001461282 431230566 /nfs/dbraw/zinc/23/05/66/431230566.db2.gz QVCOJNSOQPFNPA-OAHLLOKOSA-N 1 1 313.397 3.321 20 10 DGCDMO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nc(C2CC2)no1 ZINC000113357716 431343683 /nfs/dbraw/zinc/34/36/83/431343683.db2.gz RBEBRTQMOQHAJV-INIZCTEOSA-N 1 1 314.433 3.500 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3ncccc3C)CC2)cc1 ZINC000093159615 431913615 /nfs/dbraw/zinc/91/36/15/431913615.db2.gz 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COCCOc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000185012238 432456421 /nfs/dbraw/zinc/45/64/21/432456421.db2.gz MIDPYEBLZDDPCM-CYBMUJFWSA-N 1 1 319.376 3.407 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1O ZINC000184678776 432419688 /nfs/dbraw/zinc/41/96/88/432419688.db2.gz GHPKQMKDSUILKR-NSHDSACASA-N 1 1 311.809 3.055 20 10 DGCDMO CC[N@@H+](Cc1ccccn1)Cc1cc(Cl)cc(OC)c1O ZINC000184692986 432423193 /nfs/dbraw/zinc/42/31/93/432423193.db2.gz ANABVHOZVALNOW-UHFFFAOYSA-N 1 1 306.793 3.471 20 10 DGCDMO Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000263671438 432564274 /nfs/dbraw/zinc/56/42/74/432564274.db2.gz KAMIGVARTBNJOW-UHFFFAOYSA-N 1 1 314.216 3.384 20 10 DGCDMO CC(=O)Nc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000155197672 432543267 /nfs/dbraw/zinc/54/32/67/432543267.db2.gz OGQJJWRZHTYOSN-UHFFFAOYSA-N 1 1 311.429 3.343 20 10 DGCDMO CCCOc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)c(O)c1 ZINC000263685455 432566779 /nfs/dbraw/zinc/56/67/79/432566779.db2.gz NOCMJRMYHPNNTD-UHFFFAOYSA-N 1 1 318.461 3.288 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@H](O)c1cccc(F)c1 ZINC000273463334 432602039 /nfs/dbraw/zinc/60/20/39/432602039.db2.gz INHXTKDGCVANLE-RVPKQNPDSA-N 1 1 307.340 3.443 20 10 DGCDMO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1O ZINC000273467102 432602230 /nfs/dbraw/zinc/60/22/30/432602230.db2.gz DYVZOYUDAIGQAS-NSHDSACASA-N 1 1 304.321 3.333 20 10 DGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000159637718 432690606 /nfs/dbraw/zinc/69/06/06/432690606.db2.gz GMCMBSBXFXFMAI-UHFFFAOYSA-N 1 1 320.383 3.318 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccc(N2CCCCC2)cc1 ZINC000276539317 432817778 /nfs/dbraw/zinc/81/77/78/432817778.db2.gz DIOSSHGKDBYAFR-CABCVRRESA-N 1 1 313.449 3.217 20 10 DGCDMO COc1ccc(O)c(C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c1 ZINC000245865093 432866424 /nfs/dbraw/zinc/86/64/24/432866424.db2.gz PVBMZKRVASENFX-KBXCAEBGSA-N 1 1 313.397 3.363 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c1 ZINC000245865093 432866426 /nfs/dbraw/zinc/86/64/26/432866426.db2.gz PVBMZKRVASENFX-KBXCAEBGSA-N 1 1 313.397 3.363 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)Cc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000278183782 432889776 /nfs/dbraw/zinc/88/97/76/432889776.db2.gz HBDKYQOIRDRUIY-UHFFFAOYSA-N 1 1 316.357 3.249 20 10 DGCDMO CCc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278297686 432890511 /nfs/dbraw/zinc/89/05/11/432890511.db2.gz CNHAWICSKSNZHH-UHFFFAOYSA-N 1 1 316.357 3.161 20 10 DGCDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)[nH]1 ZINC000277457106 432851181 /nfs/dbraw/zinc/85/11/81/432851181.db2.gz QBZNKBCFLKRHBP-NWDGAFQWSA-N 1 1 300.406 3.104 20 10 DGCDMO C[C@H](c1ccccc1O)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296653914 432923711 /nfs/dbraw/zinc/92/37/11/432923711.db2.gz ZDGRODORQQOAHB-ZIAGYGMSSA-N 1 1 304.434 3.067 20 10 DGCDMO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(C(F)(F)F)cn2)c(O)c1 ZINC000296602415 432923743 /nfs/dbraw/zinc/92/37/43/432923743.db2.gz VSTDMPHZEQURNO-SNVBAGLBSA-N 1 1 311.307 3.360 20 10 DGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)CCCO)cc1 ZINC000296962750 432943609 /nfs/dbraw/zinc/94/36/09/432943609.db2.gz ULICJHXGTWYNMW-UHFFFAOYSA-N 1 1 304.459 3.199 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1O ZINC000296402564 432904434 /nfs/dbraw/zinc/90/44/34/432904434.db2.gz UUSDDFDLEDMGQK-MAZHCROVSA-N 1 1 323.820 3.151 20 10 DGCDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000279615421 432989534 /nfs/dbraw/zinc/98/95/34/432989534.db2.gz GEHNZKRGNCHYDF-LJQANCHMSA-N 1 1 302.462 3.414 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)C2CCC(F)(F)CC2)cc1OC ZINC000290288520 433026752 /nfs/dbraw/zinc/02/67/52/433026752.db2.gz ZZHJPEMCAJMZMH-UHFFFAOYSA-N 1 1 315.360 3.419 20 10 DGCDMO [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291203732 433229749 /nfs/dbraw/zinc/22/97/49/433229749.db2.gz HVHIOEBIUVTPQX-LBPRGKRZSA-N 1 1 312.200 3.343 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCCO1 ZINC000281360838 433289973 /nfs/dbraw/zinc/28/99/73/433289973.db2.gz UWKFZYQBIQNYHC-ZDUSSCGKSA-N 1 1 314.223 3.156 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCCO1 ZINC000281360833 433290818 /nfs/dbraw/zinc/29/08/18/433290818.db2.gz UWKFZYQBIQNYHC-CYBMUJFWSA-N 1 1 314.223 3.156 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCC1CCOCC1)C[C@@H]1CCCO1 ZINC000292889875 433602245 /nfs/dbraw/zinc/60/22/45/433602245.db2.gz JCNCCUJFYGQMNE-SFHVURJKSA-N 1 1 319.445 3.190 20 10 DGCDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC000293588974 433795634 /nfs/dbraw/zinc/79/56/34/433795634.db2.gz OFFXIAFORULERA-UHFFFAOYSA-N 1 1 302.462 3.452 20 10 DGCDMO CN(C)[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccco1 ZINC000293795222 433871051 /nfs/dbraw/zinc/87/10/51/433871051.db2.gz BPVBEKGXXNSLQK-ZDUSSCGKSA-N 1 1 312.772 3.170 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1O ZINC000377834124 434012553 /nfs/dbraw/zinc/01/25/53/434012553.db2.gz JEKZWTZMFQFTOX-JKSUJKDBSA-N 1 1 319.445 3.430 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)cc1 ZINC000377890933 434027975 /nfs/dbraw/zinc/02/79/75/434027975.db2.gz ZFVBOWAFVDHUGH-QGZVFWFLSA-N 1 1 312.461 3.256 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000285703032 434043165 /nfs/dbraw/zinc/04/31/65/434043165.db2.gz PCXPXMAXSLTTKP-DOTOQJQBSA-N 1 1 307.340 3.445 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000378142738 434094347 /nfs/dbraw/zinc/09/43/47/434094347.db2.gz URIIXQFWHHFEEW-INIZCTEOSA-N 1 1 318.373 3.074 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000378142738 434094354 /nfs/dbraw/zinc/09/43/54/434094354.db2.gz URIIXQFWHHFEEW-INIZCTEOSA-N 1 1 318.373 3.074 20 10 DGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000294556253 434121188 /nfs/dbraw/zinc/12/11/88/434121188.db2.gz LQRJQNCMUXPYHS-QGZVFWFLSA-N 1 1 316.470 3.341 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000367684781 434554212 /nfs/dbraw/zinc/55/42/12/434554212.db2.gz LLVGFASPQICZQO-HOTGVXAUSA-N 1 1 319.445 3.430 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1O ZINC000368167130 434567395 /nfs/dbraw/zinc/56/73/95/434567395.db2.gz LHYTYKPXHHYCEP-INIZCTEOSA-N 1 1 317.360 3.193 20 10 DGCDMO COc1c(O)c(C[NH+]2CCC3(CCC3)CC2)ccc1[N+](=O)[O-] ZINC000368038385 434562779 /nfs/dbraw/zinc/56/27/79/434562779.db2.gz OXCUOLCZZMVCCN-UHFFFAOYSA-N 1 1 306.362 3.075 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000367973531 434563134 /nfs/dbraw/zinc/56/31/34/434563134.db2.gz PBZPJZLXYXOUDB-IBGZPJMESA-N 1 1 312.457 3.288 20 10 DGCDMO Cn1c[nH+]cc1CCOc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000664105232 436558593 /nfs/dbraw/zinc/55/85/93/436558593.db2.gz TZLLRFBHPOLARV-UHFFFAOYSA-N 1 1 309.413 3.412 20 10 DGCDMO C[C@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccsc1 ZINC000293591025 335109841 /nfs/dbraw/zinc/10/98/41/335109841.db2.gz KKYPYGRQDWFISM-AWEZNQCLSA-N 1 1 315.797 3.244 20 10 DGCDMO C[C@@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000293763620 335113209 /nfs/dbraw/zinc/11/32/09/335113209.db2.gz 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CC[N@@H+](Cc1cc(C)cc(OC)c1O)[C@H]1CCOC(C)(C)C1 ZINC000894789830 618454679 /nfs/dbraw/zinc/45/46/79/618454679.db2.gz KOFNQZNZAFXYOW-HNNXBMFYSA-N 1 1 307.434 3.489 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894939893 618502210 /nfs/dbraw/zinc/50/22/10/618502210.db2.gz ORJLYBYGXOGWGT-SHFXZJCHSA-N 1 1 315.505 3.207 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000894939893 618502212 /nfs/dbraw/zinc/50/22/12/618502212.db2.gz ORJLYBYGXOGWGT-SHFXZJCHSA-N 1 1 315.505 3.207 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000895280112 618587192 /nfs/dbraw/zinc/58/71/92/618587192.db2.gz OIITXRSWGKPHJV-MRXNPFEDSA-N 1 1 311.372 3.452 20 10 DGCDMO CCCC[NH+]1CCC(NCc2ccc(N(C)C)cc2C)CC1 ZINC000840930597 618604004 /nfs/dbraw/zinc/60/40/04/618604004.db2.gz MDMGLSQLIWHDMA-UHFFFAOYSA-N 1 1 303.494 3.415 20 10 DGCDMO CCCCN1CCC([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840930597 618604005 /nfs/dbraw/zinc/60/40/05/618604005.db2.gz MDMGLSQLIWHDMA-UHFFFAOYSA-N 1 1 303.494 3.415 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+](Cc1cnn(C)c1)CC(C)C ZINC000840952724 618623673 /nfs/dbraw/zinc/62/36/73/618623673.db2.gz HPDKQKDBVHULOQ-UHFFFAOYSA-N 1 1 314.477 3.453 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c1 ZINC000840959179 618636586 /nfs/dbraw/zinc/63/65/86/618636586.db2.gz VMZCNTAZQHGCGD-ZDUSSCGKSA-N 1 1 305.418 3.395 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c1 ZINC000840959179 618636589 /nfs/dbraw/zinc/63/65/89/618636589.db2.gz VMZCNTAZQHGCGD-ZDUSSCGKSA-N 1 1 305.418 3.395 20 10 DGCDMO CC(C)(C[NH2+]Cc1c(O)ccc(Cl)c1F)OCC1CC1 ZINC000840960250 618638305 /nfs/dbraw/zinc/63/83/05/618638305.db2.gz IOXOQDRBOFJSQE-UHFFFAOYSA-N 1 1 301.789 3.480 20 10 DGCDMO CN(C)c1ccc(/C=C\C[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000840973530 618649019 /nfs/dbraw/zinc/64/90/19/618649019.db2.gz OJIZLWBVMRTLTG-ARJAWSKDSA-N 1 1 314.458 3.285 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)cc1F ZINC000840977884 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COc1cc(C)cc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c1O ZINC000893987265 618690643 /nfs/dbraw/zinc/69/06/43/618690643.db2.gz QDMQSDDZKSMAEQ-CQSZACIVSA-N 1 1 301.390 3.160 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cn(C)cn2)cc1F ZINC000925014421 618764390 /nfs/dbraw/zinc/76/43/90/618764390.db2.gz QFHUSZYFOPNKFJ-ZDUSSCGKSA-N 1 1 304.413 3.256 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@@](OC)(C(F)(F)F)C2)c1O ZINC000895572199 618800030 /nfs/dbraw/zinc/80/00/30/618800030.db2.gz BYSYYUIPSOEWPB-AWEZNQCLSA-N 1 1 303.324 3.108 20 10 DGCDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CF)C2)ccc1N1CCCCC1 ZINC000895575320 618800765 /nfs/dbraw/zinc/80/07/65/618800765.db2.gz RNVKDTUWTSQJMI-HNNXBMFYSA-N 1 1 321.396 3.377 20 10 DGCDMO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000895577290 618801317 /nfs/dbraw/zinc/80/13/17/618801317.db2.gz IFMBMDHBZGMMRB-GFCCVEGCSA-N 1 1 309.715 3.199 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)c1 ZINC000895717484 618821943 /nfs/dbraw/zinc/82/19/43/618821943.db2.gz RICSOBYUJGGGLF-INIZCTEOSA-N 1 1 319.445 3.430 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1F ZINC000895846414 618841337 /nfs/dbraw/zinc/84/13/37/618841337.db2.gz UBKFKXDIUAGFLR-PXAZEXFGSA-N 1 1 310.388 3.032 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)c1O ZINC000896532311 618925747 /nfs/dbraw/zinc/92/57/47/618925747.db2.gz UJVOWDXVWDQHLP-ZDUSSCGKSA-N 1 1 318.442 3.312 20 10 DGCDMO Oc1cccc(F)c1C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000896639734 618939915 /nfs/dbraw/zinc/93/99/15/618939915.db2.gz FQPURTZGCFDCPH-UHFFFAOYSA-N 1 1 311.303 3.465 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000897037034 619004941 /nfs/dbraw/zinc/00/49/41/619004941.db2.gz RCRKAYJPMJMFMT-UHFFFAOYSA-N 1 1 313.800 3.312 20 10 DGCDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000897579012 619162375 /nfs/dbraw/zinc/16/23/75/619162375.db2.gz MEAQDICTCWQZPZ-GFCCVEGCSA-N 1 1 321.808 3.192 20 10 DGCDMO OCCc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000898169571 619219967 /nfs/dbraw/zinc/21/99/67/619219967.db2.gz HCGRKYQBSYNNKK-UHFFFAOYSA-N 1 1 309.768 3.009 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cn(CC)cn2)cc1F ZINC000902223675 619604632 /nfs/dbraw/zinc/60/46/32/619604632.db2.gz KRHRNQMGCLUJHO-UHFFFAOYSA-N 1 1 304.413 3.178 20 10 DGCDMO CC[C@H]([NH2+][C@H](c1nncn1C)C(C)C)c1ccc(F)cc1O ZINC000903063018 619708644 /nfs/dbraw/zinc/70/86/44/619708644.db2.gz AXTIGQCOPZPVFJ-ZFWWWQNUSA-N 1 1 306.385 3.098 20 10 DGCDMO C[C@H]([NH2+][C@@H](CO)CCc1ccccc1)c1ccc(F)cc1O ZINC000903292692 619751919 /nfs/dbraw/zinc/75/19/19/619751919.db2.gz KODBRKXWDVFGEG-XJKSGUPXSA-N 1 1 303.377 3.176 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cncs2)c1 ZINC000903309339 619756991 /nfs/dbraw/zinc/75/69/91/619756991.db2.gz DOXQEMSNBDQEGX-UWVGGRQHSA-N 1 1 306.387 3.047 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cncs2)c1 ZINC000903309338 619757014 /nfs/dbraw/zinc/75/70/14/619757014.db2.gz DOXQEMSNBDQEGX-NXEZZACHSA-N 1 1 306.387 3.047 20 10 DGCDMO CN(C)CC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000903381372 619768699 /nfs/dbraw/zinc/76/86/99/619768699.db2.gz WBCQKNTVVGNJGZ-IAGOWNOFSA-N 1 1 311.429 3.057 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959255 619839690 /nfs/dbraw/zinc/83/96/90/619839690.db2.gz DAFSPXFNXABOTC-MRXNPFEDSA-N 1 1 312.816 3.150 20 10 DGCDMO Cc1cc(-c2nc(C3([NH3+])CC3)no2)c(C)n1-c1cccc(C)c1 ZINC000905315057 619986337 /nfs/dbraw/zinc/98/63/37/619986337.db2.gz OEMHGOQXPQJLGA-UHFFFAOYSA-N 1 1 308.385 3.400 20 10 DGCDMO Cc1nc([C@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)no1 ZINC000905684888 620018723 /nfs/dbraw/zinc/01/87/23/620018723.db2.gz GHBRASPUYNLVNY-AWEZNQCLSA-N 1 1 309.369 3.226 20 10 DGCDMO COC[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000112962245 620867919 /nfs/dbraw/zinc/86/79/19/620867919.db2.gz UNTJWTOWHOGXDV-CYBMUJFWSA-N 1 1 307.434 3.254 20 10 DGCDMO CC[N@H+](Cc1cn(C)nc1Cl)Cc1ccc(N(C)C)cc1 ZINC000857011764 621044149 /nfs/dbraw/zinc/04/41/49/621044149.db2.gz IXPKUHVDHDAVHP-UHFFFAOYSA-N 1 1 306.841 3.162 20 10 DGCDMO CC[N@@H+](Cc1cn(C)nc1Cl)Cc1ccc(N(C)C)cc1 ZINC000857011764 621044152 /nfs/dbraw/zinc/04/41/52/621044152.db2.gz IXPKUHVDHDAVHP-UHFFFAOYSA-N 1 1 306.841 3.162 20 10 DGCDMO C[C@H]1Cc2cc(C[NH2+]Cc3cc(F)cc(F)c3O)ccc2O1 ZINC000922702177 621087579 /nfs/dbraw/zinc/08/75/79/621087579.db2.gz WVVDZGUCFIOMTD-JTQLQIEISA-N 1 1 305.324 3.284 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857868853 621125428 /nfs/dbraw/zinc/12/54/28/621125428.db2.gz DXXIYUIJDWXHOL-KBXCAEBGSA-N 1 1 312.461 3.382 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000922958012 621138109 /nfs/dbraw/zinc/13/81/09/621138109.db2.gz MQWGYSAWGQRPLZ-KRWDZBQOSA-N 1 1 319.351 3.464 20 10 DGCDMO CSc1cc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)ccn1 ZINC000858155505 621159656 /nfs/dbraw/zinc/15/96/56/621159656.db2.gz CKAIOIXQIRAGNY-UHFFFAOYSA-N 1 1 323.412 3.438 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000858179553 621162177 /nfs/dbraw/zinc/16/21/77/621162177.db2.gz NWTPWPKHXGRDBL-WMZOPIPTSA-N 1 1 317.521 3.454 20 10 DGCDMO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000858245118 621167609 /nfs/dbraw/zinc/16/76/09/621167609.db2.gz CHNMUBOTCVZDLO-POZKEBTKSA-N 1 1 301.478 3.087 20 10 DGCDMO CN(C)c1ccc(/C=C\CNC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000858245118 621167612 /nfs/dbraw/zinc/16/76/12/621167612.db2.gz CHNMUBOTCVZDLO-POZKEBTKSA-N 1 1 301.478 3.087 20 10 DGCDMO CN(C)c1ccc(/C=C\CNC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000858245118 621167614 /nfs/dbraw/zinc/16/76/14/621167614.db2.gz CHNMUBOTCVZDLO-POZKEBTKSA-N 1 1 301.478 3.087 20 10 DGCDMO Cc1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1N(C)C ZINC000923327622 621176507 /nfs/dbraw/zinc/17/65/07/621176507.db2.gz DWEFTRFJKUNNKB-ROUUACIJSA-N 1 1 301.478 3.025 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc(F)cc1O ZINC000858478971 621196289 /nfs/dbraw/zinc/19/62/89/621196289.db2.gz FYMSDDQVLFTDOQ-GXTWGEPZSA-N 1 1 316.367 3.302 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000858536439 621202748 /nfs/dbraw/zinc/20/27/48/621202748.db2.gz HTKJUGKNQZEIBH-NASWQRNTSA-N 1 1 303.402 3.266 20 10 DGCDMO COCc1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)no1 ZINC000838831734 621286279 /nfs/dbraw/zinc/28/62/79/621286279.db2.gz ZPAVDVDBOBAMAC-UHFFFAOYSA-N 1 1 316.401 3.471 20 10 DGCDMO Oc1ccccc1C[NH+]1CC(OCCCOc2ccccc2)C1 ZINC000839138890 621339611 /nfs/dbraw/zinc/33/96/11/621339611.db2.gz WCFXXBBYHQIPGP-UHFFFAOYSA-N 1 1 313.397 3.062 20 10 DGCDMO CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCC1 ZINC000839193409 621347300 /nfs/dbraw/zinc/34/73/00/621347300.db2.gz YFJFBAUOXWGBGM-ZDUSSCGKSA-N 1 1 308.378 3.367 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(C)(C)C)C3)cc2)CC1 ZINC000753592657 621452469 /nfs/dbraw/zinc/45/24/69/621452469.db2.gz ZMHFOYPUUBPPTC-GOSISDBHSA-N 1 1 315.505 3.306 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@@H](C(C)(C)C)C3)cc2)CC1 ZINC000753592657 621452470 /nfs/dbraw/zinc/45/24/70/621452470.db2.gz ZMHFOYPUUBPPTC-GOSISDBHSA-N 1 1 315.505 3.306 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000754736872 621529381 /nfs/dbraw/zinc/52/93/81/621529381.db2.gz ONVIWAIOOLOVSE-MAUKXSAKSA-N 1 1 307.434 3.345 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](CCO)CC2)cc1F ZINC000862397654 621584451 /nfs/dbraw/zinc/58/44/51/621584451.db2.gz VIOJSTLFDHMAAL-ZDUSSCGKSA-N 1 1 312.404 3.015 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccnc(F)c2C)cc1 ZINC000862403747 621585742 /nfs/dbraw/zinc/58/57/42/621585742.db2.gz WJEALGSZHZIQKF-UHFFFAOYSA-N 1 1 317.408 3.106 20 10 DGCDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(C)c1O ZINC000862468447 621592801 /nfs/dbraw/zinc/59/28/01/621592801.db2.gz IHTJFUZIWSGEHD-UHFFFAOYSA-N 1 1 308.422 3.047 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c1O ZINC000862482652 621594375 /nfs/dbraw/zinc/59/43/75/621594375.db2.gz KNQKZUVBCLDMGZ-FQEVSTJZSA-N 1 1 311.425 3.438 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1C(=O)OC(C)(C)C ZINC000862486098 621594748 /nfs/dbraw/zinc/59/47/48/621594748.db2.gz VNOZKPUCBAGRSY-DZGCQCFKSA-N 1 1 305.418 3.192 20 10 DGCDMO CCc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000862540327 621598578 /nfs/dbraw/zinc/59/85/78/621598578.db2.gz CKUKRAIBSKLUAB-ZDUSSCGKSA-N 1 1 322.449 3.300 20 10 DGCDMO CC[C@H]1CC(=O)N(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000755913328 621602350 /nfs/dbraw/zinc/60/23/50/621602350.db2.gz NRTNJVSBGGBLLM-INIZCTEOSA-N 1 1 317.477 3.179 20 10 DGCDMO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000755929382 621604733 /nfs/dbraw/zinc/60/47/33/621604733.db2.gz BWJQXEGPDUABIE-LJQANCHMSA-N 1 1 311.381 3.285 20 10 DGCDMO COc1ccccc1OCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756369180 621632313 /nfs/dbraw/zinc/63/23/13/621632313.db2.gz AYWWGJRPAGCWOT-LBPRGKRZSA-N 1 1 305.349 3.270 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(F)cc(F)c1O ZINC000756374162 621632666 /nfs/dbraw/zinc/63/26/66/621632666.db2.gz YJEHVHQMAXFHCC-SNVBAGLBSA-N 1 1 321.323 3.292 20 10 DGCDMO COc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1O ZINC000756523244 621644847 /nfs/dbraw/zinc/64/48/47/621644847.db2.gz BFYXUBLFGULZKD-SECBINFHSA-N 1 1 309.312 3.235 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCCOC1)c1cc(Br)c(F)cc1O ZINC000756554724 621647906 /nfs/dbraw/zinc/64/79/06/621647906.db2.gz JACHUVCVQJAORZ-BDAKNGLRSA-N 1 1 318.186 3.123 20 10 DGCDMO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756586435 621651198 /nfs/dbraw/zinc/65/11/98/621651198.db2.gz RRWDAFSPYDYNGS-PSLIRLAXSA-N 1 1 319.355 3.497 20 10 DGCDMO CC[C@H](COC)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756596168 621651808 /nfs/dbraw/zinc/65/18/08/621651808.db2.gz YGKXGFZZMXOGMQ-RKDXNWHRSA-N 1 1 320.202 3.369 20 10 DGCDMO CCO[C@H](CC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)C(C)C ZINC000756629306 621654078 /nfs/dbraw/zinc/65/40/78/621654078.db2.gz PFVMLLKYOBTXKG-CXAGYDPISA-N 1 1 323.433 3.281 20 10 DGCDMO C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cc(F)cc(F)c1O ZINC000756713026 621659489 /nfs/dbraw/zinc/65/94/89/621659489.db2.gz SNGYICKWAUVLAZ-PSLIRLAXSA-N 1 1 311.303 3.194 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)CC3(C)COC3)c2c1 ZINC000863299264 621661533 /nfs/dbraw/zinc/66/15/33/621661533.db2.gz ZFEDOUHXIUVBIQ-UHFFFAOYSA-N 1 1 301.386 3.022 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2sccc2C)c1 ZINC000756788960 621664931 /nfs/dbraw/zinc/66/49/31/621664931.db2.gz ZLBJWKVRYPMKSV-LBPRGKRZSA-N 1 1 319.426 3.442 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCOCC1CC1)Cc1ccco1 ZINC000119482488 621678286 /nfs/dbraw/zinc/67/82/86/621678286.db2.gz ZPJUMQCKTGVTDN-UHFFFAOYSA-N 1 1 301.386 3.414 20 10 DGCDMO C[N@H+](Cc1ccccn1)Cc1cccc(Br)c1O ZINC000757889906 621745172 /nfs/dbraw/zinc/74/51/72/621745172.db2.gz MALQVPBSHRVIFI-UHFFFAOYSA-N 1 1 307.191 3.182 20 10 DGCDMO C[N@@H+](Cc1ccccn1)Cc1cccc(Br)c1O ZINC000757889906 621745175 /nfs/dbraw/zinc/74/51/75/621745175.db2.gz MALQVPBSHRVIFI-UHFFFAOYSA-N 1 1 307.191 3.182 20 10 DGCDMO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(OCC)cc1O ZINC000758031129 621754587 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COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCCS2)c1 ZINC000866481747 622125194 /nfs/dbraw/zinc/12/51/94/622125194.db2.gz VRJZTGYQKAGQTK-YPMHNXCESA-N 1 1 309.431 3.115 20 10 DGCDMO C[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccc(F)cc1O ZINC000866572534 622140854 /nfs/dbraw/zinc/14/08/54/622140854.db2.gz BXJGLYXXVVAOOO-LBPRGKRZSA-N 1 1 313.376 3.311 20 10 DGCDMO C[C@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1ccc(F)cc1O ZINC000866640658 622152349 /nfs/dbraw/zinc/15/23/49/622152349.db2.gz IEKXHERBZSZPMJ-NSHDSACASA-N 1 1 316.376 3.362 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CC3(CC3)C(=O)O2)cc1 ZINC000763651604 622157223 /nfs/dbraw/zinc/15/72/23/622157223.db2.gz KOKGEZBYRMEHRG-QGZVFWFLSA-N 1 1 316.445 3.060 20 10 DGCDMO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000121606231 622166557 /nfs/dbraw/zinc/16/65/57/622166557.db2.gz YIJUOFWMPQTJRY-CYBMUJFWSA-N 1 1 301.386 3.317 20 10 DGCDMO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000121606231 622166561 /nfs/dbraw/zinc/16/65/61/622166561.db2.gz 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Cc1cc(O)c(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1C(C)C ZINC000872725336 622960896 /nfs/dbraw/zinc/96/08/96/622960896.db2.gz RSLOWICQZYQYLT-QAPCUYQASA-N 1 1 302.462 3.350 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1C(C)C ZINC000872725336 622960899 /nfs/dbraw/zinc/96/08/99/622960899.db2.gz RSLOWICQZYQYLT-QAPCUYQASA-N 1 1 302.462 3.350 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000773732205 623064425 /nfs/dbraw/zinc/06/44/25/623064425.db2.gz ZKLOLBIDKWXSQR-KRWDZBQOSA-N 1 1 312.461 3.256 20 10 DGCDMO CCN(C)c1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000773753963 623067930 /nfs/dbraw/zinc/06/79/30/623067930.db2.gz NVVAZFBOMWLDBI-SFHVURJKSA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1 ZINC000773757072 623068449 /nfs/dbraw/zinc/06/84/49/623068449.db2.gz YIFRJURBCFGZNN-QFBILLFUSA-N 1 1 303.494 3.447 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1 ZINC000773757072 623068456 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COc1c(O)c(C[N@@H+]([C@@H](C)C(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000774822364 623196357 /nfs/dbraw/zinc/19/63/57/623196357.db2.gz WDJQESLTMNCGFY-NSHDSACASA-N 1 1 308.378 3.318 20 10 DGCDMO COc1c(O)c(C[NH+]2CCC3(CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000774877681 623203948 /nfs/dbraw/zinc/20/39/48/623203948.db2.gz MPEBPGBORARIFB-UHFFFAOYSA-N 1 1 320.389 3.465 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774982972 623213778 /nfs/dbraw/zinc/21/37/78/623213778.db2.gz HHJHRSUXMNYVDV-NEPJUHHUSA-N 1 1 308.378 3.225 20 10 DGCDMO COc1c(O)c(C[NH2+]CCCc2cccs2)ccc1[N+](=O)[O-] ZINC000775031072 623218274 /nfs/dbraw/zinc/21/82/74/623218274.db2.gz ACWFDWLSPBQBDG-UHFFFAOYSA-N 1 1 322.386 3.093 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC[C@H](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775062540 623224250 /nfs/dbraw/zinc/22/42/50/623224250.db2.gz AYKJLDCERHFBLQ-NSHDSACASA-N 1 1 308.378 3.177 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@H](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775062540 623224252 /nfs/dbraw/zinc/22/42/52/623224252.db2.gz AYKJLDCERHFBLQ-NSHDSACASA-N 1 1 308.378 3.177 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CCC[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000775106817 623232119 /nfs/dbraw/zinc/23/21/19/623232119.db2.gz KHWKKYZRDXMAEG-WCQYABFASA-N 1 1 308.378 3.367 20 10 DGCDMO COc1c(O)c(C[NH2+][C@H]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775109420 623232494 /nfs/dbraw/zinc/23/24/94/623232494.db2.gz WJODAKQQDSOCMV-LBPRGKRZSA-N 1 1 308.378 3.367 20 10 DGCDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000124927604 623257349 /nfs/dbraw/zinc/25/73/49/623257349.db2.gz IBBWIIHDVJCZLC-CYBMUJFWSA-N 1 1 324.852 3.174 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@H]3c3ccccc3)cc2)CC1 ZINC000775634735 623299273 /nfs/dbraw/zinc/29/92/73/623299273.db2.gz VUINDJRUAJNPIC-NRFANRHFSA-N 1 1 321.468 3.385 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@H]3c3ccccc3)cc2)CC1 ZINC000775634735 623299280 /nfs/dbraw/zinc/29/92/80/623299280.db2.gz VUINDJRUAJNPIC-NRFANRHFSA-N 1 1 321.468 3.385 20 10 DGCDMO CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775652773 623304361 /nfs/dbraw/zinc/30/43/61/623304361.db2.gz SLCBNAQRIPZJEN-FQEVSTJZSA-N 1 1 315.505 3.449 20 10 DGCDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775652773 623304368 /nfs/dbraw/zinc/30/43/68/623304368.db2.gz SLCBNAQRIPZJEN-FQEVSTJZSA-N 1 1 315.505 3.449 20 10 DGCDMO CC(C)C[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000775653688 623304845 /nfs/dbraw/zinc/30/48/45/623304845.db2.gz MSLYUVPASZYZKL-UHFFFAOYSA-N 1 1 301.478 3.059 20 10 DGCDMO CC(C)C[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000775653688 623304852 /nfs/dbraw/zinc/30/48/52/623304852.db2.gz MSLYUVPASZYZKL-UHFFFAOYSA-N 1 1 301.478 3.059 20 10 DGCDMO Cc1cccc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)c1O ZINC000775656436 623306685 /nfs/dbraw/zinc/30/66/85/623306685.db2.gz UQFPSZGJQBKMRX-UHFFFAOYSA-N 1 1 319.408 3.445 20 10 DGCDMO COc1ccc(O)c(C[N@@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000775742606 623323006 /nfs/dbraw/zinc/32/30/06/623323006.db2.gz VNKNFVBZCOMFNO-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000775742606 623323010 /nfs/dbraw/zinc/32/30/10/623323010.db2.gz VNKNFVBZCOMFNO-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1Cc1ccccc1O ZINC000775969631 623357903 /nfs/dbraw/zinc/35/79/03/623357903.db2.gz YMONDFKVLIQLKS-KGLIPLIRSA-N 1 1 320.433 3.222 20 10 DGCDMO C[C@@H]1CCCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775999001 623362108 /nfs/dbraw/zinc/36/21/08/623362108.db2.gz UFJFFVLXGRDFAG-QGZVFWFLSA-N 1 1 301.478 3.060 20 10 DGCDMO C[C@@H]1CCCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775999001 623362114 /nfs/dbraw/zinc/36/21/14/623362114.db2.gz UFJFFVLXGRDFAG-QGZVFWFLSA-N 1 1 301.478 3.060 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCOCC3(CCCC3)C2)c1 ZINC000776007835 623363344 /nfs/dbraw/zinc/36/33/44/623363344.db2.gz KFKWDJVRHFLDGV-UHFFFAOYSA-N 1 1 305.418 3.184 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2ccoc2C(=O)OC)cc1 ZINC000776023462 623365502 /nfs/dbraw/zinc/36/55/02/623365502.db2.gz MVOVYTIYPLCGRY-UHFFFAOYSA-N 1 1 316.401 3.202 20 10 DGCDMO CC(C)COC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000776581875 623443177 /nfs/dbraw/zinc/44/31/77/623443177.db2.gz IHNNHAGWUYFJON-UHFFFAOYSA-N 1 1 305.418 3.336 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c(O)cc1C ZINC000776771822 623461777 /nfs/dbraw/zinc/46/17/77/623461777.db2.gz LCSPSLMHCXHFHN-MRXNPFEDSA-N 1 1 305.418 3.100 20 10 DGCDMO COCC[N@@H+](Cc1cc(C)cc(OC)c1O)[C@H]1CC[C@H](C)C1 ZINC000790479517 625659564 /nfs/dbraw/zinc/65/95/64/625659564.db2.gz PHKOVLBQNBJJQH-BBRMVZONSA-N 1 1 307.434 3.346 20 10 DGCDMO CO[C@](C)(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000876531850 623635197 /nfs/dbraw/zinc/63/51/97/623635197.db2.gz RCAYMRIUNFIJIX-IEBWSBKVSA-N 1 1 319.445 3.188 20 10 DGCDMO CC[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000876551292 623641620 /nfs/dbraw/zinc/64/16/20/623641620.db2.gz OLWFFJGUMGYYLU-VQIMIIECSA-N 1 1 320.477 3.016 20 10 DGCDMO Cc1ccc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000876773498 623702991 /nfs/dbraw/zinc/70/29/91/623702991.db2.gz SKVICCNFPPVZPI-OAQYLSRUSA-N 1 1 303.427 3.070 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(O)c1 ZINC000876818803 623715777 /nfs/dbraw/zinc/71/57/77/623715777.db2.gz YEOPNWXYROTBNI-OAHLLOKOSA-N 1 1 312.417 3.076 20 10 DGCDMO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(O)c1 ZINC000876818803 623715781 /nfs/dbraw/zinc/71/57/81/623715781.db2.gz YEOPNWXYROTBNI-OAHLLOKOSA-N 1 1 312.417 3.076 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(O)c1 ZINC000876818803 623715784 /nfs/dbraw/zinc/71/57/84/623715784.db2.gz YEOPNWXYROTBNI-OAHLLOKOSA-N 1 1 312.417 3.076 20 10 DGCDMO C[C@@H]1C[C@H](C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCO1 ZINC000778991584 623717345 /nfs/dbraw/zinc/71/73/45/623717345.db2.gz AQNPFXNPPHPUKK-JFIYKMOQSA-N 1 1 319.445 3.188 20 10 DGCDMO CN(Cc1cc(F)ccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778996708 623718239 /nfs/dbraw/zinc/71/82/39/623718239.db2.gz XSIZJXOWALBNIZ-SFHVURJKSA-N 1 1 314.404 3.238 20 10 DGCDMO C[N@H+](Cc1cc(F)ccc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000778996708 623718243 /nfs/dbraw/zinc/71/82/43/623718243.db2.gz XSIZJXOWALBNIZ-SFHVURJKSA-N 1 1 314.404 3.238 20 10 DGCDMO C[N@@H+](Cc1cc(F)ccc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000778996708 623718244 /nfs/dbraw/zinc/71/82/44/623718244.db2.gz XSIZJXOWALBNIZ-SFHVURJKSA-N 1 1 314.404 3.238 20 10 DGCDMO Oc1ccc(F)cc1C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000779021731 623721691 /nfs/dbraw/zinc/72/16/91/623721691.db2.gz WRIPQZUXJQVYAJ-UHFFFAOYSA-N 1 1 322.330 3.132 20 10 DGCDMO Cc1ccccc1[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000779019757 623721969 /nfs/dbraw/zinc/72/19/69/623721969.db2.gz HXXOIUGNGBPSKW-GOSISDBHSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000779019757 623721971 /nfs/dbraw/zinc/72/19/71/623721971.db2.gz HXXOIUGNGBPSKW-GOSISDBHSA-N 1 1 301.361 3.413 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c(O)c1 ZINC000779187879 623740290 /nfs/dbraw/zinc/74/02/90/623740290.db2.gz AOULLGVRSVNNAI-KRWDZBQOSA-N 1 1 305.418 3.182 20 10 DGCDMO CN1CCCc2cc(C[NH2+]Cc3nc(Cl)cs3)ccc21 ZINC000876986550 623759612 /nfs/dbraw/zinc/75/96/12/623759612.db2.gz GCWFNVWFKDCDSH-UHFFFAOYSA-N 1 1 307.850 3.469 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)c(O)c1 ZINC000779599395 623780298 /nfs/dbraw/zinc/78/02/98/623780298.db2.gz SHEGSABVVDJPRV-UHFFFAOYSA-N 1 1 301.361 3.488 20 10 DGCDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000779604132 623781174 /nfs/dbraw/zinc/78/11/74/623781174.db2.gz HJXORRQJLCKTMM-OAHLLOKOSA-N 1 1 305.418 3.112 20 10 DGCDMO CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000877114973 623793988 /nfs/dbraw/zinc/79/39/88/623793988.db2.gz FYAICTNTQXOPQL-CYBMUJFWSA-N 1 1 312.404 3.128 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CC=CCC1 ZINC000877307503 623846380 /nfs/dbraw/zinc/84/63/80/623846380.db2.gz IAAZWIWLNAUDBQ-KRWDZBQOSA-N 1 1 314.473 3.436 20 10 DGCDMO Cc1cccc(O)c1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000877486782 623907907 /nfs/dbraw/zinc/90/79/07/623907907.db2.gz NKIUIXWPQIMGNR-GOSISDBHSA-N 1 1 310.441 3.312 20 10 DGCDMO Cc1ccc(C[N@@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c(O)c1 ZINC000877639675 623973375 /nfs/dbraw/zinc/97/33/75/623973375.db2.gz OLFUOSRBBDBRLY-WCQYABFASA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1ccc(C[N@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c(O)c1 ZINC000877639675 623973381 /nfs/dbraw/zinc/97/33/81/623973381.db2.gz OLFUOSRBBDBRLY-WCQYABFASA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000877651454 623978725 /nfs/dbraw/zinc/97/87/25/623978725.db2.gz YVROUMCAMSMOFF-UHFFFAOYSA-N 1 1 311.429 3.346 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000780788956 623985607 /nfs/dbraw/zinc/98/56/07/623985607.db2.gz FJOBXHSJHFCDIP-AWEZNQCLSA-N 1 1 301.361 3.432 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000877672486 623986996 /nfs/dbraw/zinc/98/69/96/623986996.db2.gz FYXOIHWSJXVBEO-AEFFLSMTSA-N 1 1 313.397 3.099 20 10 DGCDMO Cc1ccc(-c2nn(C)cc2C[N@@H+]2Cc3cccc(O)c3C2)o1 ZINC000877702958 623998727 /nfs/dbraw/zinc/99/87/27/623998727.db2.gz MFBHZLZKLWRLPA-UHFFFAOYSA-N 1 1 309.369 3.210 20 10 DGCDMO Cc1ccc(-c2nn(C)cc2C[N@H+]2Cc3cccc(O)c3C2)o1 ZINC000877702958 623998731 /nfs/dbraw/zinc/99/87/31/623998731.db2.gz MFBHZLZKLWRLPA-UHFFFAOYSA-N 1 1 309.369 3.210 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c1 ZINC000877713091 624002375 /nfs/dbraw/zinc/00/23/75/624002375.db2.gz DRGQVYZWRBRLBD-QGZVFWFLSA-N 1 1 309.413 3.080 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000877728877 624005720 /nfs/dbraw/zinc/00/57/20/624005720.db2.gz UFHYMSRWJCBXSD-GFCCVEGCSA-N 1 1 313.800 3.481 20 10 DGCDMO COc1c(O)c(C[NH2+]CC(C)(C)C(C)(F)F)ccc1[N+](=O)[O-] ZINC000877731053 624006910 /nfs/dbraw/zinc/00/69/10/624006910.db2.gz MMIHVHSNSXFJMT-UHFFFAOYSA-N 1 1 318.320 3.080 20 10 DGCDMO CC[C@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cc(Cl)ccc1O ZINC000790755326 625692382 /nfs/dbraw/zinc/69/23/82/625692382.db2.gz MVBJCIOZTYNOHA-ZANVPECISA-N 1 1 321.812 3.169 20 10 DGCDMO C[N@H+]1CC[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC000877741266 624013577 /nfs/dbraw/zinc/01/35/77/624013577.db2.gz AEMUXDSNVKWFNY-AZUAARDMSA-N 1 1 313.489 3.203 20 10 DGCDMO COc1ccc([C@@H]2C[N@@H+](Cc3c(C)cccc3O)CCO2)cc1 ZINC000877756369 624022821 /nfs/dbraw/zinc/02/28/21/624022821.db2.gz UMTOEGMOEVTCDJ-IBGZPJMESA-N 1 1 313.397 3.283 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000877762329 624026068 /nfs/dbraw/zinc/02/60/68/624026068.db2.gz GPKOZRISHCHJGW-INIZCTEOSA-N 1 1 309.413 3.080 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1O ZINC000877823611 624056802 /nfs/dbraw/zinc/05/68/02/624056802.db2.gz XLPYIQITJYACPJ-BXUZGUMPSA-N 1 1 317.351 3.496 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2ccn(C)c2)c1 ZINC000781632108 624110249 /nfs/dbraw/zinc/11/02/49/624110249.db2.gz GQTJMIKVATUPBG-UHFFFAOYSA-N 1 1 309.207 3.091 20 10 DGCDMO CCOCC[N@H+](CC)Cc1cc(C)cc(Br)c1O ZINC000781899072 624166675 /nfs/dbraw/zinc/16/66/75/624166675.db2.gz GBYPUEFHPZDUTH-UHFFFAOYSA-N 1 1 316.239 3.322 20 10 DGCDMO CCOCC[N@@H+](CC)Cc1cc(C)cc(Br)c1O ZINC000781899072 624166676 /nfs/dbraw/zinc/16/66/76/624166676.db2.gz GBYPUEFHPZDUTH-UHFFFAOYSA-N 1 1 316.239 3.322 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCCSC2)c1 ZINC000781917763 624170818 /nfs/dbraw/zinc/17/08/18/624170818.db2.gz HCVNYFFZFZBDHN-LLVKDONJSA-N 1 1 316.264 3.448 20 10 DGCDMO CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000783717829 624386687 /nfs/dbraw/zinc/38/66/87/624386687.db2.gz MEZBNVQWJABNDF-GOSISDBHSA-N 1 1 302.462 3.391 20 10 DGCDMO C[C@@H]([NH2+]Cc1nnc(C(F)(F)F)s1)c1ccccc1O ZINC000879649186 624623002 /nfs/dbraw/zinc/62/30/02/624623002.db2.gz LGPGVJIGFADXSJ-SSDOTTSWSA-N 1 1 303.309 3.113 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)cc1F ZINC000787420456 625008539 /nfs/dbraw/zinc/00/85/39/625008539.db2.gz HGQURIYVOLZGKA-ZFWWWQNUSA-N 1 1 322.424 3.055 20 10 DGCDMO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)c1ccnn1C ZINC000788260115 625108399 /nfs/dbraw/zinc/10/83/99/625108399.db2.gz TXPRAEMNUFDNDA-DOMZBBRYSA-N 1 1 305.397 3.355 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cccc(C(F)(F)F)c1O ZINC000788777025 625264987 /nfs/dbraw/zinc/26/49/87/625264987.db2.gz RVBSYBJTGSJRGF-QWRGUYRKSA-N 1 1 303.324 3.488 20 10 DGCDMO CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790963050 625724813 /nfs/dbraw/zinc/72/48/13/625724813.db2.gz XNGNJOVINQNZEL-LLVKDONJSA-N 1 1 300.805 3.005 20 10 DGCDMO CCOC1CC(CC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790992210 625733058 /nfs/dbraw/zinc/73/30/58/625733058.db2.gz UDBICKSZLVJVCG-UHFFFAOYSA-N 1 1 301.789 3.480 20 10 DGCDMO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000129734667 625755964 /nfs/dbraw/zinc/75/59/64/625755964.db2.gz SUCSYARLRAZPIR-NSHDSACASA-N 1 1 303.333 3.453 20 10 DGCDMO CCOCc1ccccc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000882883129 625844439 /nfs/dbraw/zinc/84/44/39/625844439.db2.gz OMRLOWVENNEDDH-UHFFFAOYSA-N 1 1 307.340 3.497 20 10 DGCDMO CN(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1ccc(F)cc1 ZINC000882904507 625852273 /nfs/dbraw/zinc/85/22/73/625852273.db2.gz AUBVZFYMNWNREO-MRXNPFEDSA-N 1 1 324.346 3.202 20 10 DGCDMO C[N@@H+](CCCn1ccnc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000130590299 625876418 /nfs/dbraw/zinc/87/64/18/625876418.db2.gz MEEHRINZFWXTRW-UHFFFAOYSA-N 1 1 317.433 3.114 20 10 DGCDMO COc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(F)cc(F)c1O ZINC000882996873 625890986 /nfs/dbraw/zinc/89/09/86/625890986.db2.gz LWHMCRPDQXTNON-CQSZACIVSA-N 1 1 321.323 3.292 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H](O)c1cccc(F)c1 ZINC000883027694 625901766 /nfs/dbraw/zinc/90/17/66/625901766.db2.gz KQPRPHDSKWXKNP-VFZGTOFNSA-N 1 1 311.303 3.021 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000883049259 625910900 /nfs/dbraw/zinc/91/09/00/625910900.db2.gz IKERWPSSUAAMEJ-UXLLHSPISA-N 1 1 301.336 3.346 20 10 DGCDMO C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883079619 625919268 /nfs/dbraw/zinc/91/92/68/625919268.db2.gz YMXXLJDSTMAOSX-RNCFNFMXSA-N 1 1 313.369 3.334 20 10 DGCDMO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883086512 625921439 /nfs/dbraw/zinc/92/14/39/625921439.db2.gz XPLQTQBYSXVKOC-ZDUSSCGKSA-N 1 1 311.328 3.001 20 10 DGCDMO CCSc1cc(C[NH2+]Cc2cc(F)cc(F)c2O)ccn1 ZINC000883092898 625924389 /nfs/dbraw/zinc/92/43/89/625924389.db2.gz CMVGTSXMVCRRKY-UHFFFAOYSA-N 1 1 310.369 3.467 20 10 DGCDMO COCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CC[C@H](C)C1 ZINC000792465205 625947208 /nfs/dbraw/zinc/94/72/08/625947208.db2.gz LXSICOGRLVIKLE-LRDDRELGSA-N 1 1 323.408 3.371 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1 ZINC000796694288 626073902 /nfs/dbraw/zinc/07/39/02/626073902.db2.gz KZNPKPNRUFKILB-VAMGGRTRSA-N 1 1 315.505 3.495 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1 ZINC000796694287 626073934 /nfs/dbraw/zinc/07/39/34/626073934.db2.gz KZNPKPNRUFKILB-AQNXPRMDSA-N 1 1 315.505 3.495 20 10 DGCDMO CN1CCCc2cc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@@H]43)ccc21 ZINC000796726879 626076568 /nfs/dbraw/zinc/07/65/68/626076568.db2.gz GIUFSKXTQIACGC-GGPKGHCWSA-N 1 1 313.489 3.031 20 10 DGCDMO CN1CC[C@H]([NH2+]CCCSc2nccs2)[C@H]2CCC[C@@H]21 ZINC000796772782 626081047 /nfs/dbraw/zinc/08/10/47/626081047.db2.gz VUMDGBSGUJPVKT-RDBSUJKOSA-N 1 1 311.520 3.088 20 10 DGCDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000797604871 626159157 /nfs/dbraw/zinc/15/91/57/626159157.db2.gz JUEBBUKZYOUCDJ-HXUWFJFHSA-N 1 1 324.424 3.017 20 10 DGCDMO C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798180083 626199998 /nfs/dbraw/zinc/19/99/98/626199998.db2.gz YOWRBIJJKQMHIZ-SNVBAGLBSA-N 1 1 302.340 3.156 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1cccc(C(F)(F)F)c1O ZINC000798184621 626200973 /nfs/dbraw/zinc/20/09/73/626200973.db2.gz ZKJSHMNAELDDAY-GARJFASQSA-N 1 1 305.340 3.469 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)CCCOCc2ccccc2)c1 ZINC000798964514 626263679 /nfs/dbraw/zinc/26/36/79/626263679.db2.gz NKSVECZRZJEUEM-UHFFFAOYSA-N 1 1 315.413 3.440 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799154872 626276280 /nfs/dbraw/zinc/27/62/80/626276280.db2.gz JUMMJGNFJWQVAP-HNNXBMFYSA-N 1 1 305.381 3.325 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CCOc3cccc(F)c3C2)c1O ZINC000800855546 626379805 /nfs/dbraw/zinc/37/98/05/626379805.db2.gz JUOOASBSJGRGPB-UHFFFAOYSA-N 1 1 317.360 3.243 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCOc3cccc(F)c3C2)c1O ZINC000800855546 626379808 /nfs/dbraw/zinc/37/98/08/626379808.db2.gz JUOOASBSJGRGPB-UHFFFAOYSA-N 1 1 317.360 3.243 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccsc1 ZINC000800888473 626382968 /nfs/dbraw/zinc/38/29/68/626382968.db2.gz FJAJTLWPDDDVED-HNNXBMFYSA-N 1 1 315.486 3.351 20 10 DGCDMO CCCC[N@H+](Cc1nnc(C2CC2)o1)Cc1ccccc1O ZINC000801597878 626411721 /nfs/dbraw/zinc/41/17/21/626411721.db2.gz QBZLWIFXAPVETN-UHFFFAOYSA-N 1 1 301.390 3.455 20 10 DGCDMO CCCC[N@@H+](Cc1nnc(C2CC2)o1)Cc1ccccc1O ZINC000801597878 626411724 /nfs/dbraw/zinc/41/17/24/626411724.db2.gz QBZLWIFXAPVETN-UHFFFAOYSA-N 1 1 301.390 3.455 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H]1CCCN(C(C)C)C1=O ZINC000801599501 626411855 /nfs/dbraw/zinc/41/18/55/626411855.db2.gz QNGLFWQLDNOWJP-KRWDZBQOSA-N 1 1 318.461 3.394 20 10 DGCDMO CCOc1cccc(C[N@@H+]2CCOc3cccc(F)c3C2)c1O ZINC000802656654 626565530 /nfs/dbraw/zinc/56/55/30/626565530.db2.gz SBUGXSAEUMTDOK-UHFFFAOYSA-N 1 1 317.360 3.325 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCOc3cccc(F)c3C2)c1O ZINC000802656654 626565532 /nfs/dbraw/zinc/56/55/32/626565532.db2.gz SBUGXSAEUMTDOK-UHFFFAOYSA-N 1 1 317.360 3.325 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccc(F)cc1O ZINC000883263286 626628582 /nfs/dbraw/zinc/62/85/82/626628582.db2.gz OJXFSUYBTHNECO-ZFWWWQNUSA-N 1 1 323.408 3.158 20 10 DGCDMO C[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(Cl)cc1O ZINC000883275745 626632858 /nfs/dbraw/zinc/63/28/58/626632858.db2.gz AIGPSKUMJCQVHQ-WCQYABFASA-N 1 1 309.793 3.140 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccncc1 ZINC000883290980 626638129 /nfs/dbraw/zinc/63/81/29/626638129.db2.gz OPKFPNCSYMRLOZ-HXUWFJFHSA-N 1 1 324.472 3.074 20 10 DGCDMO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000883355596 626658347 /nfs/dbraw/zinc/65/83/47/626658347.db2.gz UXVNSZUMAWGXGT-WDEREUQCSA-N 1 1 302.340 3.156 20 10 DGCDMO C[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000807274344 626752802 /nfs/dbraw/zinc/75/28/02/626752802.db2.gz OIUZLYVYKQEVPK-YJBOKZPZSA-N 1 1 317.477 3.194 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1C[C@]3(CCCO3)[C@@H]1C1CC1)CCCC2 ZINC000840100475 626760038 /nfs/dbraw/zinc/76/00/38/626760038.db2.gz YSUJLUOIPGPDFD-VQTJNVASSA-N 1 1 313.441 3.414 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)cc1C(C)C ZINC000840106377 626763757 /nfs/dbraw/zinc/76/37/57/626763757.db2.gz UCCBGAHUXLQLCJ-HNNXBMFYSA-N 1 1 320.433 3.097 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000840113632 626767327 /nfs/dbraw/zinc/76/73/27/626767327.db2.gz FRTHIOFOSXFAQI-ZACQAIPSSA-N 1 1 319.445 3.225 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)CC1(C)C ZINC000840123060 626776003 /nfs/dbraw/zinc/77/60/03/626776003.db2.gz GKSZTGLFMPOUCF-QGZVFWFLSA-N 1 1 300.402 3.187 20 10 DGCDMO COCCOCC[N@@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000808237939 626807595 /nfs/dbraw/zinc/80/75/95/626807595.db2.gz LPNBVROQMMPXQL-UHFFFAOYSA-N 1 1 309.450 3.093 20 10 DGCDMO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)[nH]1 ZINC000808710217 626852605 /nfs/dbraw/zinc/85/26/05/626852605.db2.gz MWDCCOLTWNPQCY-NXEZZACHSA-N 1 1 308.813 3.446 20 10 DGCDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cc2c(cc1O)CCC2 ZINC000840157514 626879913 /nfs/dbraw/zinc/87/99/13/626879913.db2.gz XGTYTUJTJRMVPF-UHFFFAOYSA-N 1 1 313.445 3.273 20 10 DGCDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000840182808 626929551 /nfs/dbraw/zinc/92/95/51/626929551.db2.gz AHQXIOOWTSAOBA-IBGZPJMESA-N 1 1 313.397 3.321 20 10 DGCDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809651836 626932643 /nfs/dbraw/zinc/93/26/43/626932643.db2.gz BFWLDROJCNYQGU-OXJNMPFZSA-N 1 1 322.452 3.204 20 10 DGCDMO Oc1ccccc1C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000809703749 626939214 /nfs/dbraw/zinc/93/92/14/626939214.db2.gz PHIZOVJNBBVAOF-OAQYLSRUSA-N 1 1 322.452 3.490 20 10 DGCDMO Oc1ccccc1C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000809703749 626939215 /nfs/dbraw/zinc/93/92/15/626939215.db2.gz PHIZOVJNBBVAOF-OAQYLSRUSA-N 1 1 322.452 3.490 20 10 DGCDMO CCC[N@@H+](CCN1CCCCC1)Cc1cccc(OCC)c1O ZINC000809704942 626939220 /nfs/dbraw/zinc/93/92/20/626939220.db2.gz JGKZDLMKHUVNAE-UHFFFAOYSA-N 1 1 320.477 3.489 20 10 DGCDMO CCCN(CC[NH+]1CCCCC1)Cc1cccc(OCC)c1O ZINC000809704942 626939221 /nfs/dbraw/zinc/93/92/21/626939221.db2.gz JGKZDLMKHUVNAE-UHFFFAOYSA-N 1 1 320.477 3.489 20 10 DGCDMO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(F)ccc1O ZINC000809715020 626940564 /nfs/dbraw/zinc/94/05/64/626940564.db2.gz WKVPBHWHMJKDOG-UHFFFAOYSA-N 1 1 322.424 3.144 20 10 DGCDMO Cc1cccc(C[N@H+](CC(=O)N2CCCCCC2)C(C)C)c1O ZINC000809714664 626940599 /nfs/dbraw/zinc/94/05/99/626940599.db2.gz NTBNANNTXUTLNH-UHFFFAOYSA-N 1 1 318.461 3.314 20 10 DGCDMO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000809720431 626941181 /nfs/dbraw/zinc/94/11/81/626941181.db2.gz GGWLIAPEULRGQV-OAHLLOKOSA-N 1 1 324.396 3.020 20 10 DGCDMO CC[N@H+](CCCN(C)C)Cc1ccc(N2CCCCC2)cc1 ZINC000809750477 626946651 /nfs/dbraw/zinc/94/66/51/626946651.db2.gz XRSWDZXOGXWSPB-UHFFFAOYSA-N 1 1 303.494 3.451 20 10 DGCDMO CC[N@@H+](CCCN(C)C)Cc1ccc(N2CCCCC2)cc1 ZINC000809750477 626946652 /nfs/dbraw/zinc/94/66/52/626946652.db2.gz XRSWDZXOGXWSPB-UHFFFAOYSA-N 1 1 303.494 3.451 20 10 DGCDMO CCN(CCC[NH+](C)C)Cc1ccc(N2CCCCC2)cc1 ZINC000809750477 626946654 /nfs/dbraw/zinc/94/66/54/626946654.db2.gz XRSWDZXOGXWSPB-UHFFFAOYSA-N 1 1 303.494 3.451 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3oc(C)nc3C)CC2)cc1 ZINC000809935771 626960690 /nfs/dbraw/zinc/96/06/90/626960690.db2.gz YNGAYWASVZFDEZ-UHFFFAOYSA-N 1 1 315.417 3.012 20 10 DGCDMO CC[C@@H](C[NH2+][C@H](C)c1cc(Br)c(F)cc1O)OC ZINC000810260727 626994789 /nfs/dbraw/zinc/99/47/89/626994789.db2.gz NMKOYKWIVSMHFN-BDAKNGLRSA-N 1 1 320.202 3.369 20 10 DGCDMO CC[C@@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O)OC ZINC000810260729 626994952 /nfs/dbraw/zinc/99/49/52/626994952.db2.gz NMKOYKWIVSMHFN-IUCAKERBSA-N 1 1 320.202 3.369 20 10 DGCDMO COc1ccccc1OCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886491895 627152263 /nfs/dbraw/zinc/15/22/63/627152263.db2.gz VUZVEZLEMXXEIY-GFCCVEGCSA-N 1 1 305.349 3.270 20 10 DGCDMO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)c1c(O)cccc1F ZINC000886528153 627157326 /nfs/dbraw/zinc/15/73/26/627157326.db2.gz HVPIGANRSQYFAW-YGRLFVJLSA-N 1 1 301.365 3.358 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1F ZINC000886526372 627157444 /nfs/dbraw/zinc/15/74/44/627157444.db2.gz LHOPDKCAWGOSDP-NWDGAFQWSA-N 1 1 324.396 3.191 20 10 DGCDMO Cc1cccn2cc(CC[NH2+][C@H](C)c3c(O)cccc3F)nc12 ZINC000886534500 627158204 /nfs/dbraw/zinc/15/82/04/627158204.db2.gz JQTIZMZYFJSNOO-CYBMUJFWSA-N 1 1 313.376 3.381 20 10 DGCDMO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886547545 627160847 /nfs/dbraw/zinc/16/08/47/627160847.db2.gz NBKJJMXDPSHKNI-WWGRRREGSA-N 1 1 303.377 3.347 20 10 DGCDMO C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1c([O-])cccc1F ZINC000886548267 627161049 /nfs/dbraw/zinc/16/10/49/627161049.db2.gz ZTWKNQGPTHKFPL-QLFBSQMISA-N 1 1 324.440 3.071 20 10 DGCDMO C[C@H]([NH2+]CCOc1ncccc1Cl)c1c(O)cccc1F ZINC000886552346 627161797 /nfs/dbraw/zinc/16/17/97/627161797.db2.gz ZPVOEIRWHVEUQW-JTQLQIEISA-N 1 1 310.756 3.309 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1c(O)cccc1F ZINC000886551598 627161945 /nfs/dbraw/zinc/16/19/45/627161945.db2.gz KOQNRYRESHWTLC-WFASDCNBSA-N 1 1 320.408 3.116 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)[C@@H](O)Cc1ccccc1 ZINC000886553439 627162058 /nfs/dbraw/zinc/16/20/58/627162058.db2.gz NFSUDLPDIWEGCV-IGCXYCKISA-N 1 1 303.377 3.174 20 10 DGCDMO C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1c(O)cccc1F ZINC000886557299 627162695 /nfs/dbraw/zinc/16/26/95/627162695.db2.gz XWFKCKNXEUEWRB-LLVKDONJSA-N 1 1 301.365 3.092 20 10 DGCDMO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2c(O)cccc2F)C1 ZINC000886593912 627169507 /nfs/dbraw/zinc/16/95/07/627169507.db2.gz BOCMNCKOLOLDIW-AVGNSLFASA-N 1 1 324.396 3.049 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886626492 627176228 /nfs/dbraw/zinc/17/62/28/627176228.db2.gz CXFKMKUVARQCMG-YPMHNXCESA-N 1 1 307.340 3.097 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1c(O)cccc1F ZINC000886649560 627180599 /nfs/dbraw/zinc/18/05/99/627180599.db2.gz DGLLMXJUWKJAGF-KBPBESRZSA-N 1 1 323.408 3.158 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1)c1ccc(F)cc1O ZINC000886771735 627203332 /nfs/dbraw/zinc/20/33/32/627203332.db2.gz MQANDXYOKKCDJF-MLOIPWKLSA-N 1 1 323.408 3.155 20 10 DGCDMO Cc1cccc(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c1O ZINC000811513590 627286189 /nfs/dbraw/zinc/28/61/89/627286189.db2.gz XLCMVFWGANEPAV-SFHVURJKSA-N 1 1 308.425 3.338 20 10 DGCDMO CCC[N@H+](CC)C[C@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000811520238 627287428 /nfs/dbraw/zinc/28/74/28/627287428.db2.gz LSVDZPDHLFZGBJ-LBPRGKRZSA-N 1 1 314.857 3.264 20 10 DGCDMO CCC[N@@H+](CC)C[C@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000811520238 627287431 /nfs/dbraw/zinc/28/74/31/627287431.db2.gz LSVDZPDHLFZGBJ-LBPRGKRZSA-N 1 1 314.857 3.264 20 10 DGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)CCC3)[C@H]1[C@@H]1CCCO1 ZINC000811778267 627320603 /nfs/dbraw/zinc/32/06/03/627320603.db2.gz LDVMLJAVNVRNMM-ROUUACIJSA-N 1 1 301.430 3.270 20 10 DGCDMO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(O)cc1C ZINC000811792391 627322801 /nfs/dbraw/zinc/32/28/01/627322801.db2.gz OHTLQGPXFNAZAP-WMZOPIPTSA-N 1 1 317.429 3.243 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](n3cccn3)C2)cc1F ZINC000812780379 627419592 /nfs/dbraw/zinc/41/95/92/627419592.db2.gz CDBDXFZPBTXBFA-INIZCTEOSA-N 1 1 316.424 3.315 20 10 DGCDMO CC[C@@H]1CC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000814179079 627546240 /nfs/dbraw/zinc/54/62/40/627546240.db2.gz PALNDPQCZZPKOK-LLVKDONJSA-N 1 1 300.196 3.148 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c(O)c1 ZINC000814178419 627547482 /nfs/dbraw/zinc/54/74/82/627547482.db2.gz PFEQURBYZAFBTR-INIZCTEOSA-N 1 1 305.418 3.039 20 10 DGCDMO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccc(N(C)C)cc1 ZINC000814632007 627580909 /nfs/dbraw/zinc/58/09/09/627580909.db2.gz VPKNUUHEOUJFCL-LBPRGKRZSA-N 1 1 301.438 3.019 20 10 DGCDMO Cc1cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)ccc1N(C)C ZINC000815060176 627620161 /nfs/dbraw/zinc/62/01/61/627620161.db2.gz QAXVCNIDULKIRY-GOSISDBHSA-N 1 1 300.402 3.228 20 10 DGCDMO Cc1cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)ccc1N(C)C ZINC000815060176 627620166 /nfs/dbraw/zinc/62/01/66/627620166.db2.gz QAXVCNIDULKIRY-GOSISDBHSA-N 1 1 300.402 3.228 20 10 DGCDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000815070935 627622245 /nfs/dbraw/zinc/62/22/45/627622245.db2.gz APJVSZIONUVRRC-QFBILLFUSA-N 1 1 303.494 3.223 20 10 DGCDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000815070935 627622251 /nfs/dbraw/zinc/62/22/51/627622251.db2.gz APJVSZIONUVRRC-QFBILLFUSA-N 1 1 303.494 3.223 20 10 DGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000815070935 627622253 /nfs/dbraw/zinc/62/22/53/627622253.db2.gz APJVSZIONUVRRC-QFBILLFUSA-N 1 1 303.494 3.223 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)ccc1N(C)C ZINC000815075941 627623167 /nfs/dbraw/zinc/62/31/67/627623167.db2.gz OSOKOACADGSSGF-SFHVURJKSA-N 1 1 302.462 3.310 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cnn(C)c2Cl)cc1 ZINC000815115029 627628249 /nfs/dbraw/zinc/62/82/49/627628249.db2.gz DOZBIYAKGSDCHY-UHFFFAOYSA-N 1 1 306.841 3.210 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2C[C@H](N3CCCC3)C[C@H]2C)cc1 ZINC000815117417 627629013 /nfs/dbraw/zinc/62/90/13/627629013.db2.gz MDEIFLGRGXIFKK-VQIMIIECSA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](N3CCCC3)C[C@H]2C)cc1 ZINC000815117417 627629015 /nfs/dbraw/zinc/62/90/15/627629015.db2.gz MDEIFLGRGXIFKK-VQIMIIECSA-N 1 1 301.478 3.201 20 10 DGCDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)nn1 ZINC000924646545 627662223 /nfs/dbraw/zinc/66/22/23/627662223.db2.gz CAXQBZBIQDBGTQ-OAHLLOKOSA-N 1 1 313.449 3.310 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cccc(C(F)(F)F)c1O ZINC000815562155 627684782 /nfs/dbraw/zinc/68/47/82/627684782.db2.gz YNUXXUAMJBPNJY-YGRLFVJLSA-N 1 1 316.367 3.402 20 10 DGCDMO CSC[C@H](CCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815582817 627687580 /nfs/dbraw/zinc/68/75/80/627687580.db2.gz PRTPLFXOPVXKEZ-ZJUUUORDSA-N 1 1 323.380 3.176 20 10 DGCDMO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815584152 627687743 /nfs/dbraw/zinc/68/77/43/627687743.db2.gz WUEMOLCHDAJOLT-ZWNOBZJWSA-N 1 1 305.340 3.469 20 10 DGCDMO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815583041 627687821 /nfs/dbraw/zinc/68/78/21/627687821.db2.gz VNHUGXZMNCUXPU-YGOYTEALSA-N 1 1 323.380 3.174 20 10 DGCDMO C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1cccc(C(F)(F)F)c1O ZINC000815594761 627689295 /nfs/dbraw/zinc/68/92/95/627689295.db2.gz XMWNUPAIEKBQCQ-RNCFNFMXSA-N 1 1 303.324 3.223 20 10 DGCDMO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1O ZINC000815598353 627689872 /nfs/dbraw/zinc/68/98/72/627689872.db2.gz SLMVEHWONKHMHN-GXSJLCMTSA-N 1 1 303.324 3.223 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1cccc(C(F)(F)F)c1O ZINC000815621570 627691860 /nfs/dbraw/zinc/69/18/60/627691860.db2.gz XPAPSGYRVDIIBG-GBIKHYSHSA-N 1 1 303.324 3.487 20 10 DGCDMO Oc1c(C[N@H+]2CCC[C@H](C3OCCO3)C2)ccc2ccccc21 ZINC000816501205 627797535 /nfs/dbraw/zinc/79/75/35/627797535.db2.gz ABVWBTCSPJOIDS-INIZCTEOSA-N 1 1 313.397 3.130 20 10 DGCDMO OC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(F)cc1 ZINC000816551298 627805840 /nfs/dbraw/zinc/80/58/40/627805840.db2.gz WLJPMDKXNZIASC-CQSZACIVSA-N 1 1 313.731 3.147 20 10 DGCDMO COC1CCC(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816555567 627806694 /nfs/dbraw/zinc/80/66/94/627806694.db2.gz JFLJWEYJJAJCPL-UHFFFAOYSA-N 1 1 301.789 3.480 20 10 DGCDMO CC(C)OC[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816571831 627810208 /nfs/dbraw/zinc/81/02/08/627810208.db2.gz RRLKLKMPBRGECP-KRWDZBQOSA-N 1 1 315.413 3.171 20 10 DGCDMO OC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccsc1 ZINC000816571322 627810315 /nfs/dbraw/zinc/81/03/15/627810315.db2.gz ZPUHTFRSADZHIR-LBPRGKRZSA-N 1 1 301.770 3.069 20 10 DGCDMO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Cl)c(F)cc1O ZINC000816608639 627814194 /nfs/dbraw/zinc/81/41/94/627814194.db2.gz FPDHZYCWPNUNEN-DGCLKSJQSA-N 1 1 312.816 3.243 20 10 DGCDMO CC1(C)C[N@H+](Cc2ccccc2O)C[C@](C)(C(F)(F)F)O1 ZINC000816643073 627818197 /nfs/dbraw/zinc/81/81/97/627818197.db2.gz UJUQRVIZZAXKCG-CQSZACIVSA-N 1 1 303.324 3.324 20 10 DGCDMO CC1(C)C[N@@H+](Cc2ccccc2O)C[C@](C)(C(F)(F)F)O1 ZINC000816643073 627818202 /nfs/dbraw/zinc/81/82/02/627818202.db2.gz UJUQRVIZZAXKCG-CQSZACIVSA-N 1 1 303.324 3.324 20 10 DGCDMO CC[C@H]1CN(C)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000816660704 627821321 /nfs/dbraw/zinc/82/13/21/627821321.db2.gz MTJRXVYDVMKESV-SFHVURJKSA-N 1 1 301.478 3.203 20 10 DGCDMO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000816660704 627821325 /nfs/dbraw/zinc/82/13/25/627821325.db2.gz MTJRXVYDVMKESV-SFHVURJKSA-N 1 1 301.478 3.203 20 10 DGCDMO CC[C@H]1C[N@@H+](C)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000816660704 627821331 /nfs/dbraw/zinc/82/13/31/627821331.db2.gz MTJRXVYDVMKESV-SFHVURJKSA-N 1 1 301.478 3.203 20 10 DGCDMO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816662579 627821583 /nfs/dbraw/zinc/82/15/83/627821583.db2.gz SBRIQYCSUSYCKH-INIZCTEOSA-N 1 1 315.816 3.415 20 10 DGCDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816662579 627821585 /nfs/dbraw/zinc/82/15/85/627821585.db2.gz SBRIQYCSUSYCKH-INIZCTEOSA-N 1 1 315.816 3.415 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000816666002 627822779 /nfs/dbraw/zinc/82/27/79/627822779.db2.gz BPDCOODJUAGWLO-SJORKVTESA-N 1 1 307.821 3.497 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000816666002 627822784 /nfs/dbraw/zinc/82/27/84/627822784.db2.gz BPDCOODJUAGWLO-SJORKVTESA-N 1 1 307.821 3.497 20 10 DGCDMO CC(=O)N[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000817366507 627890561 /nfs/dbraw/zinc/89/05/61/627890561.db2.gz UHKYTRMSUBBTLZ-AWEZNQCLSA-N 1 1 324.380 3.002 20 10 DGCDMO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817412704 627896477 /nfs/dbraw/zinc/89/64/77/627896477.db2.gz OIORRRGJWHCWBS-SJLPKXTDSA-N 1 1 302.462 3.127 20 10 DGCDMO CCN(CC)c1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1F ZINC000817903191 627957259 /nfs/dbraw/zinc/95/72/59/627957259.db2.gz JOEXHFAMTHSZCH-YOEHRIQHSA-N 1 1 307.457 3.150 20 10 DGCDMO COc1ccccc1[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817937985 627966490 /nfs/dbraw/zinc/96/64/90/627966490.db2.gz AWYGRBUSDANTDC-KSSFIOAISA-N 1 1 313.445 3.112 20 10 DGCDMO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cc(F)cc(F)c1 ZINC000817938566 627966805 /nfs/dbraw/zinc/96/68/05/627966805.db2.gz NGKWQHKPIXQQLN-SGTLLEGYSA-N 1 1 319.399 3.381 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000817938168 627966818 /nfs/dbraw/zinc/96/68/18/627966818.db2.gz GABVGLMDLRQUFL-KZULUSFZSA-N 1 1 319.399 3.381 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCc3c2cccc3F)cc1 ZINC000817938973 627967442 /nfs/dbraw/zinc/96/74/42/627967442.db2.gz WQVJFQPUHLHANZ-OALUTQOASA-N 1 1 313.420 3.169 20 10 DGCDMO Cc1nc(C)c([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817938657 627967638 /nfs/dbraw/zinc/96/76/38/627967638.db2.gz OYUOHGYPLIACFH-MEDUHNTESA-N 1 1 318.490 3.177 20 10 DGCDMO Cc1cc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC000817940002 627967945 /nfs/dbraw/zinc/96/79/45/627967945.db2.gz DSRDFWRRSXIWIV-SUMWQHHRSA-N 1 1 303.475 3.473 20 10 DGCDMO Oc1ccccc1[C@H](CCc1ccccc1)N[C@H]1CCC[NH2+]C1 ZINC000817942104 627968723 /nfs/dbraw/zinc/96/87/23/627968723.db2.gz WTVRFSKNTMIUPH-HKUYNNGSSA-N 1 1 310.441 3.408 20 10 DGCDMO CCc1cccnc1[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817942494 627969694 /nfs/dbraw/zinc/96/96/94/627969694.db2.gz OYBROFNUUJBTON-RDTXWAMCSA-N 1 1 312.461 3.061 20 10 DGCDMO CCc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)o1 ZINC000817942359 627969820 /nfs/dbraw/zinc/96/98/20/627969820.db2.gz OLBGSHGSGHARGM-GUYCJALGSA-N 1 1 301.434 3.259 20 10 DGCDMO CCC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817944095 627970012 /nfs/dbraw/zinc/97/00/12/627970012.db2.gz XHEUYSWYRCETRA-MSOLQXFVSA-N 1 1 312.461 3.278 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817945797 627970888 /nfs/dbraw/zinc/97/08/88/627970888.db2.gz MIFOOHYKRPMRNM-BXUZGUMPSA-N 1 1 316.367 3.451 20 10 DGCDMO C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Br)cc1[O-] ZINC000817948070 627971518 /nfs/dbraw/zinc/97/15/18/627971518.db2.gz UDPDAXCNNWZWML-OIKLOGQESA-N 1 1 313.239 3.075 20 10 DGCDMO C[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000817971196 627980339 /nfs/dbraw/zinc/98/03/39/627980339.db2.gz KKEHYUWFIWEFMY-JTDSTZFVSA-N 1 1 301.478 3.326 20 10 DGCDMO CC[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(F)cc1O ZINC000817975043 627981068 /nfs/dbraw/zinc/98/10/68/627981068.db2.gz QELIMCMMCJZYIW-ZWKOTPCHSA-N 1 1 314.404 3.459 20 10 DGCDMO C[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(N2CCCCC2)cc1 ZINC000817977010 627981552 /nfs/dbraw/zinc/98/15/52/627981552.db2.gz ZJPFXPRVAXWCML-PVAVHDDUSA-N 1 1 305.441 3.028 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1c(O)cccc1F ZINC000926928392 627983584 /nfs/dbraw/zinc/98/35/84/627983584.db2.gz ZKXLYAQESHJFCK-QMMMGPOBSA-N 1 1 317.286 3.134 20 10 DGCDMO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2c1c(F)ccc2[O-] ZINC000817985091 627983658 /nfs/dbraw/zinc/98/36/58/627983658.db2.gz ABZXAGCRHJYLSG-KDBYPZKRSA-N 1 1 304.409 3.057 20 10 DGCDMO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](C)c3c(O)cccc3F)C2)n1 ZINC000927054523 628003654 /nfs/dbraw/zinc/00/36/54/628003654.db2.gz VRTCQNVMNZDFPB-QJPTWQEYSA-N 1 1 319.380 3.464 20 10 DGCDMO C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1O ZINC000927080408 628009724 /nfs/dbraw/zinc/00/97/24/628009724.db2.gz IYQVOSYMUXKHDX-ZJUUUORDSA-N 1 1 320.216 3.155 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1O ZINC000821272779 628352363 /nfs/dbraw/zinc/35/23/63/628352363.db2.gz YQTBFOOFVAENJC-CQSZACIVSA-N 1 1 314.360 3.118 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@](C)(O)c1ccccc1 ZINC000822515952 628459926 /nfs/dbraw/zinc/45/99/26/628459926.db2.gz FYSUKPQQLANRIY-KRWDZBQOSA-N 1 1 305.805 3.385 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@](C)(O)c1ccccc1 ZINC000822515953 628460028 /nfs/dbraw/zinc/46/00/28/628460028.db2.gz FYSUKPQQLANRIY-QGZVFWFLSA-N 1 1 305.805 3.385 20 10 DGCDMO Cc1cc(Cl)cc(CN2CC[N@H+](C3CC3)C[C@H](C)C2)c1O ZINC000824445997 628661285 /nfs/dbraw/zinc/66/12/85/628661285.db2.gz QBVXGYOASRWANM-GFCCVEGCSA-N 1 1 308.853 3.270 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCN(C3CC3)C[C@H](C)C2)c1O ZINC000824445997 628661286 /nfs/dbraw/zinc/66/12/86/628661286.db2.gz QBVXGYOASRWANM-GFCCVEGCSA-N 1 1 308.853 3.270 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCN(C3CC3)C[C@H](C)C2)c1O ZINC000824445997 628661288 /nfs/dbraw/zinc/66/12/88/628661288.db2.gz QBVXGYOASRWANM-GFCCVEGCSA-N 1 1 308.853 3.270 20 10 DGCDMO C[C@@]1(F)CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000824472364 628663531 /nfs/dbraw/zinc/66/35/31/628663531.db2.gz RBQULNCXFVQTMH-CYBMUJFWSA-N 1 1 302.187 3.479 20 10 DGCDMO C[C@@]1(F)CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000824472364 628663535 /nfs/dbraw/zinc/66/35/35/628663535.db2.gz RBQULNCXFVQTMH-CYBMUJFWSA-N 1 1 302.187 3.479 20 10 DGCDMO CC(C)[N@@H+](Cc1cnc2n1CCC2)Cc1ccc(N(C)C)cc1 ZINC000824566454 628671647 /nfs/dbraw/zinc/67/16/47/628671647.db2.gz KIEKFVUFLPLKHJ-UHFFFAOYSA-N 1 1 312.461 3.306 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000824636473 628679267 /nfs/dbraw/zinc/67/92/67/628679267.db2.gz QRRXUISUBNFAKA-MJGOQNOKSA-N 1 1 315.388 3.001 20 10 DGCDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824636291 628679501 /nfs/dbraw/zinc/67/95/01/628679501.db2.gz OODMAUSOOCOSBT-HKUYNNGSSA-N 1 1 302.462 3.270 20 10 DGCDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824650474 628680324 /nfs/dbraw/zinc/68/03/24/628680324.db2.gz QJOGJQSJGWVSPV-ZDUSSCGKSA-N 1 1 324.852 3.092 20 10 DGCDMO CS[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000824683862 628683748 /nfs/dbraw/zinc/68/37/48/628683748.db2.gz XUAVEUUHOUGPPQ-JTQLQIEISA-N 1 1 302.237 3.092 20 10 DGCDMO CS[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000824683862 628683752 /nfs/dbraw/zinc/68/37/52/628683752.db2.gz XUAVEUUHOUGPPQ-JTQLQIEISA-N 1 1 302.237 3.092 20 10 DGCDMO CS[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000824683862 628683754 /nfs/dbraw/zinc/68/37/54/628683754.db2.gz XUAVEUUHOUGPPQ-JTQLQIEISA-N 1 1 302.237 3.092 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2cn[nH]c2)c(O)c(C(C)(C)C)c1 ZINC000824817723 628697257 /nfs/dbraw/zinc/69/72/57/628697257.db2.gz DNNFRYPLDJRCAB-UHFFFAOYSA-N 1 1 303.406 3.053 20 10 DGCDMO OC[C@@H]([C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1)C1CC1 ZINC000824844793 628699180 /nfs/dbraw/zinc/69/91/80/628699180.db2.gz CTYJYECXPKGJCG-MLGOLLRUSA-N 1 1 313.800 3.071 20 10 DGCDMO OC[C@@H]([C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1)C1CC1 ZINC000824844794 628699528 /nfs/dbraw/zinc/69/95/28/628699528.db2.gz CTYJYECXPKGJCG-WBMJQRKESA-N 1 1 313.800 3.071 20 10 DGCDMO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000824862399 628701270 /nfs/dbraw/zinc/70/12/70/628701270.db2.gz ZKQDEWHZBUGYGR-MFKMUULPSA-N 1 1 315.772 3.006 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCCC1 ZINC000825123819 628730487 /nfs/dbraw/zinc/73/04/87/628730487.db2.gz CQIURUDEFQGPST-CYBMUJFWSA-N 1 1 308.378 3.367 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c(O)c(C(C)(C)C)c1 ZINC000825451663 628763110 /nfs/dbraw/zinc/76/31/10/628763110.db2.gz XGIRRIBGBIMQRU-KBPBESRZSA-N 1 1 321.461 3.291 20 10 DGCDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c(O)c(C(C)(C)C)c1 ZINC000825635219 628780144 /nfs/dbraw/zinc/78/01/44/628780144.db2.gz XNOTXUMCORCUGO-SHTZXODSSA-N 1 1 321.461 3.434 20 10 DGCDMO C[C@H]1CSCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825693150 628786108 /nfs/dbraw/zinc/78/61/08/628786108.db2.gz UKRCCMNSMKFIHO-SNVBAGLBSA-N 1 1 316.264 3.340 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000826097030 628827556 /nfs/dbraw/zinc/82/75/56/628827556.db2.gz MNGMTFPJIVCAMD-ZANVPECISA-N 1 1 323.742 3.099 20 10 DGCDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000827141617 628927150 /nfs/dbraw/zinc/92/71/50/628927150.db2.gz VIWAWBALHCSXME-UHFFFAOYSA-N 1 1 318.442 3.224 20 10 DGCDMO C[C@]12COC[C@@H]1C[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000827283655 628945029 /nfs/dbraw/zinc/94/50/29/628945029.db2.gz RCCOIDZHAKYQNJ-HKUYNNGSSA-N 1 1 300.446 3.145 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@@H](CO)C2)ccc1N1CCCCC1 ZINC000827354384 628952753 /nfs/dbraw/zinc/95/27/53/628952753.db2.gz OXLIRXXPMMGJOM-GOSISDBHSA-N 1 1 302.462 3.190 20 10 DGCDMO 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CCCN1CCC([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835043471 629833095 /nfs/dbraw/zinc/83/30/95/629833095.db2.gz UTUCITIWWRIRDA-WAYWQWQTSA-N 1 1 301.478 3.230 20 10 DGCDMO Cc1nnc([C@H](C)[NH2+]C/C=C\c2ccc(N(C)C)cc2)s1 ZINC000835046929 629834710 /nfs/dbraw/zinc/83/47/10/629834710.db2.gz AJKMQVVFLJPBNW-FJOGCWAESA-N 1 1 302.447 3.277 20 10 DGCDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835045882 629834900 /nfs/dbraw/zinc/83/49/00/629834900.db2.gz LGXUNBZVHPIBMB-HVHJFMEUSA-N 1 1 317.477 3.001 20 10 DGCDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835045882 629834904 /nfs/dbraw/zinc/83/49/04/629834904.db2.gz LGXUNBZVHPIBMB-HVHJFMEUSA-N 1 1 317.477 3.001 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCCN(CC(F)F)CC2)cc1 ZINC000835053382 629837610 /nfs/dbraw/zinc/83/76/10/629837610.db2.gz LVHAELPGRGVAEU-HWKANZROSA-N 1 1 323.431 3.039 20 10 DGCDMO Cc1noc([C@H]2CCC[N@H+]2C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835052920 629837698 /nfs/dbraw/zinc/83/76/98/629837698.db2.gz IPMBFLWYSIOPJP-XQDHMALISA-N 1 1 312.417 3.294 20 10 DGCDMO Cc1noc([C@H]2CCC[N@@H+]2C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835052920 629837700 /nfs/dbraw/zinc/83/77/00/629837700.db2.gz IPMBFLWYSIOPJP-XQDHMALISA-N 1 1 312.417 3.294 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000835054897 629838434 /nfs/dbraw/zinc/83/84/34/629838434.db2.gz MYRQVTMJTXGGFD-MEDHRJKHSA-N 1 1 300.446 3.268 20 10 DGCDMO Cc1cccc(C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c1O ZINC000835071624 629844011 /nfs/dbraw/zinc/84/40/11/629844011.db2.gz ZYUKNMVSWXZUMS-GOSISDBHSA-N 1 1 305.418 3.254 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000840911772 630376354 /nfs/dbraw/zinc/37/63/54/630376354.db2.gz QDZFYUPTZBTAKI-QGZVFWFLSA-N 1 1 310.445 3.231 20 10 DGCDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000840919819 630379047 /nfs/dbraw/zinc/37/90/47/630379047.db2.gz OTLWDYKFCDKHCD-IBGZPJMESA-N 1 1 312.461 3.440 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000840941133 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CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(C3CC3)cc2)cc1 ZINC000841040867 630400438 /nfs/dbraw/zinc/40/04/38/630400438.db2.gz ARHSRCYEJLWQFU-HXUWFJFHSA-N 1 1 309.457 3.420 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2ccnc3ccccc23)cc1 ZINC000841042835 630401388 /nfs/dbraw/zinc/40/13/88/630401388.db2.gz LOWIBFWZHJKERU-LJQANCHMSA-N 1 1 320.440 3.090 20 10 DGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cc(F)cc(Cl)c2)cc1 ZINC000841045508 630402023 /nfs/dbraw/zinc/40/20/23/630402023.db2.gz LYWYLCMGYNMIPY-KRWDZBQOSA-N 1 1 321.827 3.335 20 10 DGCDMO CCCN(CCC)c1ccc(CN[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000841064653 630403648 /nfs/dbraw/zinc/40/36/48/630403648.db2.gz RZOQSUQLHPACPZ-LPHOPBHVSA-N 1 1 303.494 3.401 20 10 DGCDMO CN(C)c1ccc(/C=C/CNC[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000841067726 630404466 /nfs/dbraw/zinc/40/44/66/630404466.db2.gz PHEVXLQWQUPJGF-LYSGITKLSA-N 1 1 321.468 3.242 20 10 DGCDMO Oc1c(Cl)cccc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000841101304 630407846 /nfs/dbraw/zinc/40/78/46/630407846.db2.gz RVAOCDMKFWXXBU-MRXNPFEDSA-N 1 1 302.805 3.192 20 10 DGCDMO C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000841296490 630424095 /nfs/dbraw/zinc/42/40/95/630424095.db2.gz TYOCZXLGGGSNRC-ZIAGYGMSSA-N 1 1 316.449 3.043 20 10 DGCDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(N)cc1 ZINC000841301892 630425561 /nfs/dbraw/zinc/42/55/61/630425561.db2.gz HQUSJZPDLMMSKJ-CQSZACIVSA-N 1 1 304.438 3.045 20 10 DGCDMO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841743546 630461303 /nfs/dbraw/zinc/46/13/03/630461303.db2.gz AVQJQVVBBZLCQI-LBPRGKRZSA-N 1 1 324.852 3.343 20 10 DGCDMO C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(Cl)cc1O ZINC000841745660 630461602 /nfs/dbraw/zinc/46/16/02/630461602.db2.gz RYRHLDHVWAXEDB-LBPRGKRZSA-N 1 1 319.836 3.472 20 10 DGCDMO C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(Cl)cc1O ZINC000841745350 630461687 /nfs/dbraw/zinc/46/16/87/630461687.db2.gz YFOBSPMWRZPJGV-JSGCOSHPSA-N 1 1 313.825 3.282 20 10 DGCDMO COc1cc(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c(O)cc1C ZINC000842644224 630557835 /nfs/dbraw/zinc/55/78/35/630557835.db2.gz DUXVQVZGLUQYKO-CQSZACIVSA-N 1 1 305.418 3.243 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)CC(F)F)c1 ZINC000842891029 630590621 /nfs/dbraw/zinc/59/06/21/630590621.db2.gz WIRZYYVPTUCHKP-VHSXEESVSA-N 1 1 301.333 3.121 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)CC(F)F)c1 ZINC000842891030 630590841 /nfs/dbraw/zinc/59/08/41/630590841.db2.gz WIRZYYVPTUCHKP-ZJUUUORDSA-N 1 1 301.333 3.121 20 10 DGCDMO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2O)[C@@H]1SC ZINC000842923909 630593633 /nfs/dbraw/zinc/59/36/33/630593633.db2.gz MBZGPXNCBAKOGJ-QBVOZJPGSA-N 1 1 317.401 3.230 20 10 DGCDMO Cc1cc([O-])c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000843043846 630607462 /nfs/dbraw/zinc/60/74/62/630607462.db2.gz LAFKMTHOKYBONV-MRXNPFEDSA-N 1 1 308.853 3.318 20 10 DGCDMO [NH3+]C[C@@H]1c2ccccc2CCN1Cc1c(O)ccc(Cl)c1F ZINC000843128771 630617064 /nfs/dbraw/zinc/61/70/64/630617064.db2.gz LJVZQTVTAQXCBY-OAHLLOKOSA-N 1 1 320.795 3.243 20 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AQAVVZZJNJWQBE-UHFFFAOYSA-N 1 1 313.445 3.009 20 10 DGCDMO COc1ccc(N(C)CC[N@H+](C)Cc2ncc(C)s2)cc1 ZINC000844402106 630724932 /nfs/dbraw/zinc/72/49/32/630724932.db2.gz UWVLOOAZPUBRIP-UHFFFAOYSA-N 1 1 305.447 3.028 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ncc(C)s2)cc1 ZINC000844402106 630724934 /nfs/dbraw/zinc/72/49/34/630724934.db2.gz UWVLOOAZPUBRIP-UHFFFAOYSA-N 1 1 305.447 3.028 20 10 DGCDMO Oc1ccc(Cl)cc1CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000845709487 631190623 /nfs/dbraw/zinc/19/06/23/631190623.db2.gz RPIUWPNAJVRDAF-UHFFFAOYSA-N 1 1 318.808 3.438 20 10 DGCDMO COc1cc(F)c(C[N@@H+](C)Cc2ccccc2O)cc1OC ZINC000845905394 631201931 /nfs/dbraw/zinc/20/19/31/631201931.db2.gz HDRVRDVRUBYVML-UHFFFAOYSA-N 1 1 305.349 3.181 20 10 DGCDMO COc1cccc([C@@H](C)[NH2+]CCCN2CCC(C)CC2)c1O ZINC000846136297 631211467 /nfs/dbraw/zinc/21/14/67/631211467.db2.gz IEOVVQZSPXUKFQ-OAHLLOKOSA-N 1 1 306.450 3.173 20 10 DGCDMO COc1cccc([C@H](C)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1O ZINC000846143615 631211755 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20 10 DGCDMO CCCC[N@@H+](Cc1cc(C(C)=O)no1)Cc1ccccc1O ZINC000846894240 631343903 /nfs/dbraw/zinc/34/39/03/631343903.db2.gz VDVFMYOBDCIYBP-UHFFFAOYSA-N 1 1 302.374 3.385 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)cc1 ZINC000846932761 631358379 /nfs/dbraw/zinc/35/83/79/631358379.db2.gz TWBRRIMOWLPDPJ-SFHVURJKSA-N 1 1 312.461 3.112 20 10 DGCDMO CCc1cccc(C[N@@H+]2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)c1O ZINC000848887874 631773293 /nfs/dbraw/zinc/77/32/93/631773293.db2.gz GXJQCMCYTUKYBP-ZWKOTPCHSA-N 1 1 318.461 3.176 20 10 DGCDMO CCc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1O ZINC000848891545 631774412 /nfs/dbraw/zinc/77/44/12/631774412.db2.gz ZYOWWLUIFSRUNE-APWZRJJASA-N 1 1 314.473 3.403 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1O ZINC000848891545 631774417 /nfs/dbraw/zinc/77/44/17/631774417.db2.gz ZYOWWLUIFSRUNE-APWZRJJASA-N 1 1 314.473 3.403 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@](OC)(C(F)(F)F)C2)c1O ZINC000848905832 631781621 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C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(Cl)cc1O ZINC000850501351 632173644 /nfs/dbraw/zinc/17/36/44/632173644.db2.gz AJUGCRBCDVZJAI-SPQIJUHKSA-N 1 1 315.866 3.386 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCOC(C)(C)C)c1 ZINC000850524287 632180064 /nfs/dbraw/zinc/18/00/64/632180064.db2.gz BGTPQJVDQPVIDP-GFCCVEGCSA-N 1 1 309.406 3.035 20 10 DGCDMO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000850569860 632197457 /nfs/dbraw/zinc/19/74/57/632197457.db2.gz BMLCRZFQSZGFKO-BLBGDKDGSA-N 1 1 318.186 3.122 20 10 DGCDMO CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109769848 632315996 /nfs/dbraw/zinc/31/59/96/632315996.db2.gz DIUVNFQKEMPESI-CQSZACIVSA-N 1 1 312.413 3.414 20 10 DGCDMO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109772549 632316094 /nfs/dbraw/zinc/31/60/94/632316094.db2.gz DXUOXKBFLGQHJS-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109772549 632316097 /nfs/dbraw/zinc/31/60/97/632316097.db2.gz 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C[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1ccc(F)cc1O ZINC000716177298 661219616 /nfs/dbraw/zinc/21/96/16/661219616.db2.gz MYURXIFNKRWCPQ-PBHICJAKSA-N 1 1 314.404 3.456 20 10 DGCDMO COc1cc(C[N@H+]2CCc3c(cccc3OC)C2)c(O)cc1C ZINC000181444403 656099183 /nfs/dbraw/zinc/09/91/83/656099183.db2.gz AAOMNARTHGABEN-UHFFFAOYSA-N 1 1 313.397 3.276 20 10 DGCDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093558730 656359756 /nfs/dbraw/zinc/35/97/56/656359756.db2.gz VKMFTQKGSTVTJS-OAHLLOKOSA-N 1 1 308.491 3.097 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093604549 656363769 /nfs/dbraw/zinc/36/37/69/656363769.db2.gz CCCKEXYUPYQXJN-IBGZPJMESA-N 1 1 315.505 3.451 20 10 DGCDMO Cc1ccc(NC(=O)C[N@H+](C)Cc2cc(C)c(C)cc2O)cc1 ZINC000125682886 656404550 /nfs/dbraw/zinc/40/45/50/656404550.db2.gz KSCOIDWTIJKDSD-UHFFFAOYSA-N 1 1 312.413 3.388 20 10 DGCDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000178775505 657047489 /nfs/dbraw/zinc/04/74/89/657047489.db2.gz 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3.013 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(C)cn3)CC2)cc1 ZINC000156267852 661861442 /nfs/dbraw/zinc/86/14/42/661861442.db2.gz MNLASQKBOMJVOP-UHFFFAOYSA-N 1 1 311.429 3.111 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)c(O)c1 ZINC000156841799 661865289 /nfs/dbraw/zinc/86/52/89/661865289.db2.gz VEJMKQJDOREIHX-UHFFFAOYSA-N 1 1 314.429 3.489 20 10 DGCDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(OC)c1O ZINC000187995691 661911466 /nfs/dbraw/zinc/91/14/66/661911466.db2.gz OEYGMXKIRCIXNS-QGZVFWFLSA-N 1 1 315.413 3.090 20 10 DGCDMO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccccc1O ZINC000188033016 661911681 /nfs/dbraw/zinc/91/16/81/661911681.db2.gz WXWLNCYVUYFAQU-CQSZACIVSA-N 1 1 300.377 3.242 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCSC[C@H](C)C2)c1O ZINC000190426701 662032420 /nfs/dbraw/zinc/03/24/20/662032420.db2.gz YQGGURCPEMMYRD-SNVBAGLBSA-N 1 1 313.850 3.433 20 10 DGCDMO CC[C@]1(CO)CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000191957160 662084410 /nfs/dbraw/zinc/08/44/10/662084410.db2.gz 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C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001620904386 1192570451 /nfs/dbraw/zinc/57/04/51/1192570451.db2.gz BSHAVQHJACQGGG-MJGOQNOKSA-N 1 1 315.505 3.497 20 10 DGCDMO CO[C@@](C)(C[NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC001620943193 1192638908 /nfs/dbraw/zinc/63/89/08/1192638908.db2.gz MPEUZXLMTQJPRJ-KRWDZBQOSA-N 1 1 307.340 3.322 20 10 DGCDMO CC(C)C[C@@H](C[NH+]1CCCC1)NCc1ccc(N(C)C)c(F)c1 ZINC001620945967 1192641270 /nfs/dbraw/zinc/64/12/70/1192641270.db2.gz BKOOYDIUNUMLPV-KRWDZBQOSA-N 1 1 321.484 3.492 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC001335269184 1178881837 /nfs/dbraw/zinc/88/18/37/1178881837.db2.gz CQYPQDIVTIIMQY-HLVVYCRESA-N 1 1 321.442 3.256 20 10 DGCDMO CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001341569511 1179030405 /nfs/dbraw/zinc/03/04/05/1179030405.db2.gz PUJKOSAJJVWIOA-GOSISDBHSA-N 1 1 301.478 3.060 20 10 DGCDMO CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001341569511 1179030412 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Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(N)cc1 ZINC001345159264 1179535728 /nfs/dbraw/zinc/53/57/28/1179535728.db2.gz DNYNICKQAYVKBF-GOSISDBHSA-N 1 1 306.413 3.493 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C2(CCC2)CO1 ZINC001346165576 1179664946 /nfs/dbraw/zinc/66/49/46/1179664946.db2.gz KCVZTWGYUXEGHW-INIZCTEOSA-N 1 1 300.446 3.430 20 10 DGCDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001347236130 1179785973 /nfs/dbraw/zinc/78/59/73/1179785973.db2.gz WNBMRQJNGFUVKJ-DOTOQJQBSA-N 1 1 319.468 3.340 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3[O-])C[C@H]2C1 ZINC001352114253 1180298466 /nfs/dbraw/zinc/29/84/66/1180298466.db2.gz ZKNRPPKWHDEAAS-WOSRLPQWSA-N 1 1 308.853 3.208 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3[O-])C[C@H]2C1 ZINC001352114253 1180298468 /nfs/dbraw/zinc/29/84/68/1180298468.db2.gz ZKNRPPKWHDEAAS-WOSRLPQWSA-N 1 1 308.853 3.208 20 10 DGCDMO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)c2nncn2C)cc1 ZINC001200204424 1180449527 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Oc1ccccc1C[N@H+](Cc1ncccc1F)C[C@H]1CCCO1 ZINC001462021964 1182897088 /nfs/dbraw/zinc/89/70/88/1182897088.db2.gz JGNWZFKSZUGPII-OAHLLOKOSA-N 1 1 316.376 3.108 20 10 DGCDMO COc1cc(C)c(C[N@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c(O)c1 ZINC001462252389 1182928776 /nfs/dbraw/zinc/92/87/76/1182928776.db2.gz VGNKDRVEIKTTEE-SJORKVTESA-N 1 1 305.418 3.099 20 10 DGCDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)C12CCC2 ZINC001462251946 1182928863 /nfs/dbraw/zinc/92/88/63/1182928863.db2.gz ANFIAJULEGGNKH-IRXDYDNUSA-N 1 1 324.415 3.420 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(O)c1 ZINC001462303985 1182936255 /nfs/dbraw/zinc/93/62/55/1182936255.db2.gz CUCPBMZYDRRAFO-SJORKVTESA-N 1 1 305.418 3.099 20 10 DGCDMO Cc1ccc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c(O)c1 ZINC001462303615 1182936691 /nfs/dbraw/zinc/93/66/91/1182936691.db2.gz HKZDPVNCOLMECU-GOSISDBHSA-N 1 1 308.425 3.338 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC001462377206 1182943477 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CC[N@@H+](CCC(=O)OC)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001473132814 1183719867 /nfs/dbraw/zinc/71/98/67/1183719867.db2.gz IGUWYBQTWCXWDZ-UHFFFAOYSA-N 1 1 318.461 3.370 20 10 DGCDMO CC[NH+](CC)CC[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC001474305079 1183901447 /nfs/dbraw/zinc/90/14/47/1183901447.db2.gz FLTAULBRDRIGNG-JJEJIETFSA-N 1 1 303.494 3.476 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001474379231 1183913655 /nfs/dbraw/zinc/91/36/55/1183913655.db2.gz RSJVGPPPJPJOSP-GFCCVEGCSA-N 1 1 303.793 3.215 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c(O)c1 ZINC001474631083 1183952475 /nfs/dbraw/zinc/95/24/75/1183952475.db2.gz WTJPEHKDOUNBID-BEFAXECRSA-N 1 1 319.445 3.490 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1O ZINC001474646704 1183954449 /nfs/dbraw/zinc/95/44/49/1183954449.db2.gz GXJRFZXUFBHQEA-NVXWUHKLSA-N 1 1 320.477 3.261 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)CN(C)C)c1O ZINC001474646704 1183954451 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C[C@@H](CNCc1ccc(N(C)C)c(F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC001560265708 1189302116 /nfs/dbraw/zinc/30/21/16/1189302116.db2.gz BDNWLVFDYKMIML-CABCVRRESA-N 1 1 307.457 3.102 20 10 DGCDMO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001560397677 1189322562 /nfs/dbraw/zinc/32/25/62/1189322562.db2.gz IJVJEWQHXLGIMX-HKUYNNGSSA-N 1 1 301.478 3.107 20 10 DGCDMO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1(C)C ZINC001560414939 1189325554 /nfs/dbraw/zinc/32/55/54/1189325554.db2.gz RIHJLHISCXWCMT-NFMODRRSSA-N 1 1 301.789 3.334 20 10 DGCDMO CCN(CC)c1ccc(CNC[C@@H]2CCCC[N@H+](C)C2)cc1F ZINC001560533938 1189337606 /nfs/dbraw/zinc/33/76/06/1189337606.db2.gz IVRKFKAEPMYTOT-KRWDZBQOSA-N 1 1 321.484 3.493 20 10 DGCDMO CCN(CC)c1ccc(CNC[C@@H]2CCCC[N@@H+](C)C2)cc1F ZINC001560533938 1189337610 /nfs/dbraw/zinc/33/76/10/1189337610.db2.gz IVRKFKAEPMYTOT-KRWDZBQOSA-N 1 1 321.484 3.493 20 10 DGCDMO CCN1CC[C@@H]([N@H+](C)Cc2c(C)cc(OC)cc2O)C[C@@H]1C ZINC001560636406 1189353243 /nfs/dbraw/zinc/35/32/43/1189353243.db2.gz FNPHRTZWYQRNFJ-LSDHHAIUSA-N 1 1 306.450 3.014 20 10 DGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2c(C)cc(OC)cc2O)C[C@@H]1C ZINC001560636406 1189353248 /nfs/dbraw/zinc/35/32/48/1189353248.db2.gz FNPHRTZWYQRNFJ-LSDHHAIUSA-N 1 1 306.450 3.014 20 10 DGCDMO Cn1cc([C@@H]2C[C@H]2C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001560816012 1189387336 /nfs/dbraw/zinc/38/73/36/1189387336.db2.gz ZMZUOTLBCVENOM-FXAWDEMLSA-N 1 1 324.472 3.256 20 10 DGCDMO CCC[N@@H+](CCN1CCCC1)Cc1ccc(N(C)C)cc1C ZINC001560823494 1189388091 /nfs/dbraw/zinc/38/80/91/1189388091.db2.gz ILLWRGJJHVPOTA-UHFFFAOYSA-N 1 1 303.494 3.369 20 10 DGCDMO CCCN(CC[NH+]1CCCC1)Cc1ccc(N(C)C)cc1C ZINC001560823494 1189388099 /nfs/dbraw/zinc/38/80/99/1189388099.db2.gz ILLWRGJJHVPOTA-UHFFFAOYSA-N 1 1 303.494 3.369 20 10 DGCDMO COC(=O)[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)CC(C)C ZINC001560863512 1189396096 /nfs/dbraw/zinc/39/60/96/1189396096.db2.gz VFPISZVLKFOUGW-SNVBAGLBSA-N 1 1 317.788 3.110 20 10 DGCDMO COC(=O)[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)CC(C)C ZINC001560863511 1189396369 /nfs/dbraw/zinc/39/63/69/1189396369.db2.gz VFPISZVLKFOUGW-JTQLQIEISA-N 1 1 317.788 3.110 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)cc1F ZINC001621274051 1193825758 /nfs/dbraw/zinc/82/57/58/1193825758.db2.gz XVPSSXBFAOMTOI-HNNXBMFYSA-N 1 1 324.415 3.422 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1F ZINC001621274051 1193825760 /nfs/dbraw/zinc/82/57/60/1193825760.db2.gz XVPSSXBFAOMTOI-HNNXBMFYSA-N 1 1 324.415 3.422 20 10 DGCDMO COc1c([O-])c(C[N@@H+](C)[C@@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001621323383 1193830178 /nfs/dbraw/zinc/83/01/78/1193830178.db2.gz CCVQKDYAMRMRBF-DGCLKSJQSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+](C)[C@@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001621323383 1193830181 /nfs/dbraw/zinc/83/01/81/1193830181.db2.gz CCVQKDYAMRMRBF-DGCLKSJQSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001621323383 1193830185 /nfs/dbraw/zinc/83/01/85/1193830185.db2.gz CCVQKDYAMRMRBF-DGCLKSJQSA-N 1 1 308.378 3.320 20 10 DGCDMO C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001621458090 1193845301 /nfs/dbraw/zinc/84/53/01/1193845301.db2.gz WXKDPIWBAGMBSJ-DOMZBBRYSA-N 1 1 312.404 3.223 20 10 DGCDMO Cc1cc(C[N@H+]2CCN(C)[C@H](C)C2)ccc1N1CCCCC1 ZINC001642589574 1194921260 /nfs/dbraw/zinc/92/12/60/1194921260.db2.gz PJBJXOZYMOYGLU-QGZVFWFLSA-N 1 1 301.478 3.121 20 10 DGCDMO Cc1cc(CN2CC[N@H+](C)[C@H](C)C2)ccc1N1CCCCC1 ZINC001642589574 1194921264 /nfs/dbraw/zinc/92/12/64/1194921264.db2.gz PJBJXOZYMOYGLU-QGZVFWFLSA-N 1 1 301.478 3.121 20 10 DGCDMO Cc1cc(CN2CC[N@@H+](C)[C@H](C)C2)ccc1N1CCCCC1 ZINC001642589574 1194921268 /nfs/dbraw/zinc/92/12/68/1194921268.db2.gz PJBJXOZYMOYGLU-QGZVFWFLSA-N 1 1 301.478 3.121 20 10 DGCDMO CCCOc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1C ZINC001650757730 1195379505 /nfs/dbraw/zinc/37/95/05/1195379505.db2.gz ABKWKCHXJODNOY-NVXWUHKLSA-N 1 1 302.462 3.499 20 10 DGCDMO CCCOc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1C ZINC001650757730 1195379510 /nfs/dbraw/zinc/37/95/10/1195379510.db2.gz ABKWKCHXJODNOY-NVXWUHKLSA-N 1 1 302.462 3.499 20 10 DGCDMO CC(C)(C)CC[C@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001651001549 1195402320 /nfs/dbraw/zinc/40/23/20/1195402320.db2.gz PEFDURBQBDVGNR-SNVBAGLBSA-N 1 1 303.805 3.462 20 10 DGCDMO COCC[N@H+](CCc1ccccc1)Cc1cc(F)cc(F)c1O ZINC001651777044 1195507304 /nfs/dbraw/zinc/50/73/04/1195507304.db2.gz NTWSWSZFLGFNFF-UHFFFAOYSA-N 1 1 321.367 3.362 20 10 DGCDMO COCC[N@@H+](CCc1ccccc1)Cc1cc(F)cc(F)c1O ZINC001651777044 1195507309 /nfs/dbraw/zinc/50/73/09/1195507309.db2.gz NTWSWSZFLGFNFF-UHFFFAOYSA-N 1 1 321.367 3.362 20 10 DGCDMO CC(C)CO[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001651884064 1195520042 /nfs/dbraw/zinc/52/00/42/1195520042.db2.gz ZZUDXEYMRJYAQO-CQSZACIVSA-N 1 1 312.404 3.278 20 10 DGCDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001651884064 1195520045 /nfs/dbraw/zinc/52/00/45/1195520045.db2.gz ZZUDXEYMRJYAQO-CQSZACIVSA-N 1 1 312.404 3.278 20 10 DGCDMO COC(=O)CC1([NH2+]Cc2cc(F)cc(F)c2O)CCCCC1 ZINC001652031924 1195539132 /nfs/dbraw/zinc/53/91/32/1195539132.db2.gz OOKNNGGBXLVOCZ-UHFFFAOYSA-N 1 1 313.344 3.026 20 10 DGCDMO CN(C)c1ncccc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001652407053 1195593685 /nfs/dbraw/zinc/59/36/85/1195593685.db2.gz IHYDGJGGWUREQU-UHFFFAOYSA-N 1 1 324.472 3.380 20 10 DGCDMO COC(=O)c1c(C[N@@H+](C)[C@@H](C)C2CC2)c2cc(F)ccc2n1C ZINC001652481021 1195604549 /nfs/dbraw/zinc/60/45/49/1195604549.db2.gz KXIWEWPCXUZIAV-NSHDSACASA-N 1 1 318.392 3.334 20 10 DGCDMO CC(C)OC(=O)C[C@H]([NH2+]Cc1cc(F)c(F)cc1O)C(C)C ZINC001652740529 1195644643 /nfs/dbraw/zinc/64/46/43/1195644643.db2.gz WPMYSWYUZPTGBG-AWEZNQCLSA-N 1 1 315.360 3.126 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](C(C)(C)O)C2)cc1 ZINC001653072470 1195686002 /nfs/dbraw/zinc/68/60/02/1195686002.db2.gz HNXMXRAMCHKOFG-QQOXCAACSA-N 1 1 302.462 3.249 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)c1cc(F)ccc1F ZINC001653249383 1195703144 /nfs/dbraw/zinc/70/31/44/1195703144.db2.gz MJVQNLWUYANRQI-SFHVURJKSA-N 1 1 320.383 3.162 20 10 DGCDMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1O ZINC001654776327 1195839023 /nfs/dbraw/zinc/83/90/23/1195839023.db2.gz GQBAWBGSQKPUPY-FNHZYXHNSA-N 1 1 324.424 3.262 20 10 DGCDMO Cc1cc(C[NH2+][C@@H](CO)c2cc(F)ccc2F)ccc1N(C)C ZINC001655092840 1195875570 /nfs/dbraw/zinc/87/55/70/1195875570.db2.gz NKRHGAMPRMKIPH-KRWDZBQOSA-N 1 1 320.383 3.162 20 10 DGCDMO CN(C)c1ccc(/C=C/CNCC[NH+]2CCCCCC2)cc1 ZINC001656036171 1195990608 /nfs/dbraw/zinc/99/06/08/1195990608.db2.gz VFUUHOWDSJWQPO-BQYQJAHWSA-N 1 1 301.478 3.231 20 10 DGCDMO C[C@H](CNC/C=C\c1ccc(N(C)C)cc1)C[NH+]1CCCCC1 ZINC001656896036 1196081002 /nfs/dbraw/zinc/08/10/02/1196081002.db2.gz BLRWEPKXXYPJSM-JTHGQSKGSA-N 1 1 315.505 3.477 20 10 DGCDMO C[C@H](CNCc1ccc2c(c1)CCCO2)C[NH+]1CCCCC1 ZINC001656896988 1196081351 /nfs/dbraw/zinc/08/13/51/1196081351.db2.gz RFUUGZIOOGQHMK-MRXNPFEDSA-N 1 1 302.462 3.223 20 10 DGCDMO CCc1ccc[nH+]c1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001656975033 1196088472 /nfs/dbraw/zinc/08/84/72/1196088472.db2.gz KGKMLPVMXAFWJR-UHFFFAOYSA-N 1 1 315.392 3.232 20 10 DGCDMO CC[N@H+](Cc1ccc(C)cc1O)C[C@@H]1COc2ccccc2O1 ZINC001657224432 1196120237 /nfs/dbraw/zinc/12/02/37/1196120237.db2.gz WEDKJIUKTAXNAS-MRXNPFEDSA-N 1 1 313.397 3.363 20 10 DGCDMO C[NH+](C)[C@H]1CCC[C@@H](NCc2ccc(N3CCCC3)cc2)C1 ZINC001657322248 1196130601 /nfs/dbraw/zinc/13/06/01/1196130601.db2.gz DXOMONJJQNCUJA-MJGOQNOKSA-N 1 1 301.478 3.249 20 10 DGCDMO C[NH+](C)[C@H]1CCC[C@H](NCc2ccc(N3CCCC3)cc2)C1 ZINC001657322246 1196130686 /nfs/dbraw/zinc/13/06/86/1196130686.db2.gz DXOMONJJQNCUJA-HKUYNNGSSA-N 1 1 301.478 3.249 20 10 DGCDMO OCC[N@H+](Cc1cc(F)c(F)cc1O)[C@@H]1CCc2ccccc21 ZINC001657470284 1196146655 /nfs/dbraw/zinc/14/66/55/1196146655.db2.gz GIEYARZZMSTRLT-QGZVFWFLSA-N 1 1 319.351 3.152 20 10 DGCDMO OCC[N@@H+](Cc1cc(F)c(F)cc1O)[C@@H]1CCc2ccccc21 ZINC001657470284 1196146656 /nfs/dbraw/zinc/14/66/56/1196146656.db2.gz GIEYARZZMSTRLT-QGZVFWFLSA-N 1 1 319.351 3.152 20 10 DGCDMO CC1(C)CCC[N@H+](CCNCc2ccc3c(c2)CCCO3)C1 ZINC001657868422 1196188458 /nfs/dbraw/zinc/18/84/58/1196188458.db2.gz TUUTVDYWWSARGX-UHFFFAOYSA-N 1 1 302.462 3.223 20 10 DGCDMO CC1(C)CCC[N@@H+](CCNCc2ccc3c(c2)CCCO3)C1 ZINC001657868422 1196188461 /nfs/dbraw/zinc/18/84/61/1196188461.db2.gz TUUTVDYWWSARGX-UHFFFAOYSA-N 1 1 302.462 3.223 20 10 DGCDMO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001657870396 1196189350 /nfs/dbraw/zinc/18/93/50/1196189350.db2.gz GDTSVAUQHGNQHW-INIZCTEOSA-N 1 1 305.418 3.433 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H](C)C[N@@H+](C)C(C)C)cc1F ZINC001658059150 1196207903 /nfs/dbraw/zinc/20/79/03/1196207903.db2.gz FWTUWOUDZFWHMB-HNNXBMFYSA-N 1 1 309.473 3.490 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)CN(C)C(C)C)cc1F ZINC001658059150 1196207909 /nfs/dbraw/zinc/20/79/09/1196207909.db2.gz FWTUWOUDZFWHMB-HNNXBMFYSA-N 1 1 309.473 3.490 20 10 DGCDMO CCCOc1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc1C ZINC001658176127 1196221737 /nfs/dbraw/zinc/22/17/37/1196221737.db2.gz ZHWJHHUFOMYWBH-FGTMMUONSA-N 1 1 302.462 3.214 20 10 DGCDMO CCCOc1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1C ZINC001658176127 1196221740 /nfs/dbraw/zinc/22/17/40/1196221740.db2.gz ZHWJHHUFOMYWBH-FGTMMUONSA-N 1 1 302.462 3.214 20 10 DGCDMO CC[C@H](C)[C@H](C[N@@H+](C)CCN(C)c1ccc(OC)cc1)OC ZINC001658486677 1196263508 /nfs/dbraw/zinc/26/35/08/1196263508.db2.gz GWOUXSJNIAYQQS-YJBOKZPZSA-N 1 1 308.466 3.124 20 10 DGCDMO COc1cc(C)c(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)c(O)c1 ZINC001658587994 1196276854 /nfs/dbraw/zinc/27/68/54/1196276854.db2.gz OADFGOXGJKUPLK-HNNXBMFYSA-N 1 1 318.461 3.206 20 10 DGCDMO COc1cc(C)c(CN[C@H]2CC[N@H+](C3CCCCC3)C2)c(O)c1 ZINC001658587994 1196276857 /nfs/dbraw/zinc/27/68/57/1196276857.db2.gz OADFGOXGJKUPLK-HNNXBMFYSA-N 1 1 318.461 3.206 20 10 DGCDMO C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1 ZINC001658777796 1196299894 /nfs/dbraw/zinc/29/98/94/1196299894.db2.gz IZBMUWBGERSACK-MRCXROJRSA-N 1 1 315.244 3.129 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC[C@H](c3nccs3)C2)c(O)c1 ZINC001658797051 1196302799 /nfs/dbraw/zinc/30/27/99/1196302799.db2.gz IRMVSBNHVRUZLV-LBPRGKRZSA-N 1 1 304.415 3.155 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)Cc2cc(Cl)cn2C)c(O)c1 ZINC001658911694 1196318040 /nfs/dbraw/zinc/31/80/40/1196318040.db2.gz PVPHKLGYWJTUKM-UHFFFAOYSA-N 1 1 308.809 3.333 20 10 DGCDMO CC[N@@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)OC)C1CCC1 ZINC001659049474 1196337802 /nfs/dbraw/zinc/33/78/02/1196337802.db2.gz JHTIECOQUHCNEL-UHFFFAOYSA-N 1 1 318.392 3.478 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@]1(CO)CC(C)C ZINC001659071010 1196340535 /nfs/dbraw/zinc/34/05/35/1196340535.db2.gz HFTPIKVAQWORES-LJQANCHMSA-N 1 1 304.478 3.434 20 10 DGCDMO CCOC(=O)CC[N@H+](Cc1ccc(N(C)C)cc1C)CC1CC1 ZINC001659145903 1196352313 /nfs/dbraw/zinc/35/23/13/1196352313.db2.gz VLTIQHPUJMYSAH-UHFFFAOYSA-N 1 1 318.461 3.226 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)ccc1N1CCCCC1 ZINC001659535563 1196392752 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DGCDMO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001660443629 1196484440 /nfs/dbraw/zinc/48/44/40/1196484440.db2.gz WBKBDPDCMRCHMB-QGZVFWFLSA-N 1 1 304.434 3.006 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+]C2([C@@H]3CCCO3)CCC2)c1O ZINC001660641181 1196507852 /nfs/dbraw/zinc/50/78/52/1196507852.db2.gz GKXZJPFSBFXBKQ-HNNXBMFYSA-N 1 1 323.820 3.440 20 10 DGCDMO Cn1cc(-c2ccc(C[NH2+]Cc3c(O)cccc3F)s2)cn1 ZINC001660741814 1196517794 /nfs/dbraw/zinc/51/77/94/1196517794.db2.gz CDUHSYAJFLBHEH-UHFFFAOYSA-N 1 1 317.389 3.283 20 10 DGCDMO C[C@]1([NH2+]Cc2cc(F)c(F)cc2O)CCOc2ccccc21 ZINC001660766389 1196521631 /nfs/dbraw/zinc/52/16/31/1196521631.db2.gz KSBLNSMVAHEXTG-KRWDZBQOSA-N 1 1 305.324 3.458 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[O-])C[C@H]2C1 ZINC001660892235 1196539059 /nfs/dbraw/zinc/53/90/59/1196539059.db2.gz HYPKSQGEPBRNOZ-XNRPHZJLSA-N 1 1 308.853 3.208 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[O-])C[C@H]2C1 ZINC001660892235 1196539062 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C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1O ZINC001183846489 1084041199 /nfs/dbraw/zinc/04/11/99/1084041199.db2.gz TWYHYGNZHCFWCA-UHFFFAOYSA-N 1 1 319.788 3.449 20 10 DGCDMO COc1ccc(C[N@H+]2CCC(=O)[C@@H](C)C23CCCC3)c(O)c1 ZINC001203634931 1084613938 /nfs/dbraw/zinc/61/39/38/1084613938.db2.gz BRARVSJUQFMDJX-CYBMUJFWSA-N 1 1 303.402 3.125 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001203657222 1084778695 /nfs/dbraw/zinc/77/86/95/1084778695.db2.gz IIHMWPUSDDSUDI-INIZCTEOSA-N 1 1 318.804 3.484 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742218 1085890562 /nfs/dbraw/zinc/89/05/62/1085890562.db2.gz KLRGQMSVWKAXQJ-UHFFFAOYSA-N 1 1 312.816 3.150 20 10 DGCDMO Cc1cc(C)c(CNc2cc[nH+]c(N3CCCCC3)n2)c(O)c1 ZINC001160811249 1088977660 /nfs/dbraw/zinc/97/76/60/1088977660.db2.gz HZPHCIBXABEZPW-UHFFFAOYSA-N 1 1 312.417 3.401 20 10 DGCDMO COc1cc(CNCC[C@@H](C)[NH+](C)C)c(O)c(C(C)(C)C)c1 ZINC001203270064 1090710791 /nfs/dbraw/zinc/71/07/91/1090710791.db2.gz 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CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]3CN(C)C[C@@H]32)cc1 ZINC001203942809 1090845243 /nfs/dbraw/zinc/84/52/43/1090845243.db2.gz SBFBZBNHIZORFA-HKUYNNGSSA-N 1 1 301.478 3.059 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]3CN(C)C[C@@H]32)cc1 ZINC001203942809 1090845252 /nfs/dbraw/zinc/84/52/52/1090845252.db2.gz SBFBZBNHIZORFA-HKUYNNGSSA-N 1 1 301.478 3.059 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@](C)(C(=O)OC)C2)cc1 ZINC001203942456 1090845498 /nfs/dbraw/zinc/84/54/98/1090845498.db2.gz RBURGTZZMXWXRS-IBGZPJMESA-N 1 1 318.461 3.308 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](F)C[C@H](CO)C2)c2ccccc21 ZINC001204232395 1090929379 /nfs/dbraw/zinc/92/93/79/1090929379.db2.gz BWFPJANTDKQNBG-HOCLYGCPSA-N 1 1 316.420 3.058 20 10 DGCDMO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204233200 1090930545 /nfs/dbraw/zinc/93/05/45/1090930545.db2.gz OSCLAFRUDMIPAD-SFHVURJKSA-N 1 1 312.413 3.043 20 10 DGCDMO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001204232678 1090930813 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c1cnc([C@H]2CCC[N@H+]2Cc2ccc(N3CCCC3)cc2)nc1 ZINC001204329536 1090950377 /nfs/dbraw/zinc/95/03/77/1090950377.db2.gz OXTBWLOVFBAOEH-GOSISDBHSA-N 1 1 308.429 3.414 20 10 DGCDMO c1cnc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)nc1 ZINC001204329536 1090950386 /nfs/dbraw/zinc/95/03/86/1090950386.db2.gz OXTBWLOVFBAOEH-GOSISDBHSA-N 1 1 308.429 3.414 20 10 DGCDMO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(C)nc2)cc(O)c1O ZINC001204346498 1090952921 /nfs/dbraw/zinc/95/29/21/1090952921.db2.gz SLCPOSIKFJFKNJ-HNNXBMFYSA-N 1 1 314.385 3.147 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(C)nc2)cc(O)c1O ZINC001204346498 1090952923 /nfs/dbraw/zinc/95/29/23/1090952923.db2.gz SLCPOSIKFJFKNJ-HNNXBMFYSA-N 1 1 314.385 3.147 20 10 DGCDMO Cc1cc([O-])c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001204742994 1091027196 /nfs/dbraw/zinc/02/71/96/1091027196.db2.gz WDIFWPZJEZJJEI-UHFFFAOYSA-N 1 1 308.853 3.320 20 10 DGCDMO Cc1cc([O-])c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001204742994 1091027203 /nfs/dbraw/zinc/02/72/03/1091027203.db2.gz WDIFWPZJEZJJEI-UHFFFAOYSA-N 1 1 308.853 3.320 20 10 DGCDMO C[NH2+]C[C@@H]1CCCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001205015730 1091084422 /nfs/dbraw/zinc/08/44/22/1091084422.db2.gz DPMQWUGIXKRSBV-AWEZNQCLSA-N 1 1 316.445 3.008 20 10 DGCDMO C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001205016821 1091085099 /nfs/dbraw/zinc/08/50/99/1091085099.db2.gz KULSDXJYTQHRMD-MRXNPFEDSA-N 1 1 310.441 3.491 20 10 DGCDMO C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001205016821 1091085106 /nfs/dbraw/zinc/08/51/06/1091085106.db2.gz KULSDXJYTQHRMD-MRXNPFEDSA-N 1 1 310.441 3.491 20 10 DGCDMO CC[C@H](C)[C@H](C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)OC ZINC001205101412 1091101951 /nfs/dbraw/zinc/10/19/51/1091101951.db2.gz SBSKIDZNEJTXHK-IEZWGBDMSA-N 1 1 321.461 3.434 20 10 DGCDMO O=C1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1F ZINC001138215737 1091118352 /nfs/dbraw/zinc/11/83/52/1091118352.db2.gz RTXIFBVKCCRWDQ-KRWDZBQOSA-N 1 1 304.409 3.180 20 10 DGCDMO O=C1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1F ZINC001138215737 1091118355 /nfs/dbraw/zinc/11/83/55/1091118355.db2.gz RTXIFBVKCCRWDQ-KRWDZBQOSA-N 1 1 304.409 3.180 20 10 DGCDMO O=C1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]12 ZINC001138222084 1091119848 /nfs/dbraw/zinc/11/98/48/1091119848.db2.gz GFOSMHXMCIJHIK-IEBWSBKVSA-N 1 1 312.457 3.478 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001138220837 1091120326 /nfs/dbraw/zinc/12/03/26/1091120326.db2.gz PFBWFPVNRMDCGR-IBGZPJMESA-N 1 1 300.446 3.432 20 10 DGCDMO Cc1c(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)c2ccccc2n1C ZINC001138252750 1091125885 /nfs/dbraw/zinc/12/58/85/1091125885.db2.gz SRQBWPPAKVQGMC-IFXJQAMLSA-N 1 1 300.446 3.470 20 10 DGCDMO Cc1c(C[N@@H+](CCO)Cc2ccccc2)c2ccccc2n1C ZINC001138252624 1091126239 /nfs/dbraw/zinc/12/62/39/1091126239.db2.gz NUXZJGYCMNRWHW-UHFFFAOYSA-N 1 1 308.425 3.481 20 10 DGCDMO Cc1c(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)c2ccccc2n1C ZINC001138252752 1091126876 /nfs/dbraw/zinc/12/68/76/1091126876.db2.gz SRQBWPPAKVQGMC-LIRRHRJNSA-N 1 1 300.446 3.470 20 10 DGCDMO C[C@@]1(CF)CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337640 1091144972 /nfs/dbraw/zinc/14/49/72/1091144972.db2.gz CHVABANIMBKMCK-IBGZPJMESA-N 1 1 318.436 3.273 20 10 DGCDMO C[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)CC1CCC1 ZINC001138337787 1091145761 /nfs/dbraw/zinc/14/57/61/1091145761.db2.gz ZGSYSHOFINJLCR-UHFFFAOYSA-N 1 1 300.446 3.323 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](CO)CC[C@@H]2C)c(OC)c1 ZINC001138386481 1091161319 /nfs/dbraw/zinc/16/13/19/1091161319.db2.gz NYUDDHGUMDGXFC-HOTGVXAUSA-N 1 1 320.477 3.134 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c(OC)c1 ZINC001138386186 1091161374 /nfs/dbraw/zinc/16/13/74/1091161374.db2.gz IVKRWZAKMNFNBK-QAPCUYQASA-N 1 1 320.477 3.134 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2CCOCC2)c(OC)c1 ZINC001138386879 1091163630 /nfs/dbraw/zinc/16/36/30/1091163630.db2.gz YUZONZUDKKEDKE-UHFFFAOYSA-N 1 1 320.477 3.400 20 10 DGCDMO C[C@H]1CC[NH2+]CCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001205333315 1091189774 /nfs/dbraw/zinc/18/97/74/1091189774.db2.gz ZZHJAUXCLKGFPR-AWEZNQCLSA-N 1 1 314.404 3.382 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC001205492554 1091234202 /nfs/dbraw/zinc/23/42/02/1091234202.db2.gz LIOIEEHTMMJTFE-SFHVURJKSA-N 1 1 317.335 3.302 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC001205492554 1091234216 /nfs/dbraw/zinc/23/42/16/1091234216.db2.gz LIOIEEHTMMJTFE-SFHVURJKSA-N 1 1 317.335 3.302 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(O)c1 ZINC001205699812 1091316246 /nfs/dbraw/zinc/31/62/46/1091316246.db2.gz KZXZIJXJODJVQH-JKSUJKDBSA-N 1 1 319.445 3.348 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccc(C(N)=O)cc2)c(Cl)c1 ZINC001205711019 1091320109 /nfs/dbraw/zinc/32/01/09/1091320109.db2.gz WDKHSZWKKGRSPB-UHFFFAOYSA-N 1 1 318.804 3.085 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1cnn(Cc3ccccc3)c1)CC2 ZINC001138767559 1091323364 /nfs/dbraw/zinc/32/33/64/1091323364.db2.gz XERUMSHVGXOVFN-UHFFFAOYSA-N 1 1 319.408 3.195 20 10 DGCDMO CCN(CC)c1ccc(CN2CCC[C@H](C[NH3+])[C@H]2C)c(OC)c1 ZINC001205901324 1091399940 /nfs/dbraw/zinc/39/99/40/1091399940.db2.gz CMBSGPATONBLJS-HZPDHXFCSA-N 1 1 319.493 3.101 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])CCC[C@@H]1C[NH3+] ZINC001206024566 1091455332 /nfs/dbraw/zinc/45/53/32/1091455332.db2.gz KDUTZMSWQOLZGU-NWDGAFQWSA-N 1 1 316.367 3.218 20 10 DGCDMO Oc1c(F)cccc1C[NH+]1CC(Cc2c(F)cccc2F)C1 ZINC001206180717 1091524346 /nfs/dbraw/zinc/52/43/46/1091524346.db2.gz SCUXTANHJIPCOE-UHFFFAOYSA-N 1 1 307.315 3.484 20 10 DGCDMO CN(C)c1ccc(CN2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206556861 1091668826 /nfs/dbraw/zinc/66/88/26/1091668826.db2.gz YNGBLRQXZGBTAG-KRWDZBQOSA-N 1 1 309.885 3.357 20 10 DGCDMO COc1ccc(N2CC[NH+](Cc3ccc(C)cn3)CC2)c(C)c1 ZINC001139841269 1091688021 /nfs/dbraw/zinc/68/80/21/1091688021.db2.gz KFJLGNRAXODWEC-UHFFFAOYSA-N 1 1 311.429 3.029 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H](Oc3cccnc3)C2)c1O ZINC001140179715 1091791975 /nfs/dbraw/zinc/79/19/75/1091791975.db2.gz NBPOSGJEDIOBRO-QGZVFWFLSA-N 1 1 312.413 3.447 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c1O ZINC001140178183 1091792587 /nfs/dbraw/zinc/79/25/87/1091792587.db2.gz BWAMACAQOLNNKJ-HNNXBMFYSA-N 1 1 317.351 3.288 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC001140182211 1091793378 /nfs/dbraw/zinc/79/33/78/1091793378.db2.gz KPHHZJJQADNBII-AWEZNQCLSA-N 1 1 305.418 3.173 20 10 DGCDMO Cc1ccc(C)c(C[NH+]2CC(Oc3ccccc3F)C2)c1O ZINC001140182305 1091793825 /nfs/dbraw/zinc/79/38/25/1091793825.db2.gz OKLNKRJGQOVYML-UHFFFAOYSA-N 1 1 301.361 3.411 20 10 DGCDMO Oc1cccc2[nH]cc(C[N@H+]3CCCc4cc(O)c(O)cc4C3)c21 ZINC001140234404 1091805901 /nfs/dbraw/zinc/80/59/01/1091805901.db2.gz HHVIGQAJBLLKLD-UHFFFAOYSA-N 1 1 324.380 3.233 20 10 DGCDMO C[C@@]1(F)CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140283396 1091817351 /nfs/dbraw/zinc/81/73/51/1091817351.db2.gz RYAYZKPWHXMHRW-LJQANCHMSA-N 1 1 320.452 3.362 20 10 DGCDMO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1c(O)cccc1Cl ZINC001140341827 1091834445 /nfs/dbraw/zinc/83/44/45/1091834445.db2.gz JEOAONLVXWBWGQ-MKBNYLNASA-N 1 1 323.820 3.209 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001140341654 1091835484 /nfs/dbraw/zinc/83/54/84/1091835484.db2.gz AGVBWJDVRTXOQK-OAHLLOKOSA-N 1 1 317.816 3.489 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)c1 ZINC001140621096 1091934508 /nfs/dbraw/zinc/93/45/08/1091934508.db2.gz OMFUXGWEZGUXHB-ICSRJNTNSA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1ccc(O)c(CN2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001140621096 1091934516 /nfs/dbraw/zinc/93/45/16/1091934516.db2.gz OMFUXGWEZGUXHB-ICSRJNTNSA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1ccc(O)c(CN2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)c1 ZINC001140621096 1091934522 /nfs/dbraw/zinc/93/45/22/1091934522.db2.gz OMFUXGWEZGUXHB-ICSRJNTNSA-N 1 1 322.452 3.407 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2cc(C)ccc2O)c1OC ZINC001140623124 1091935509 /nfs/dbraw/zinc/93/55/09/1091935509.db2.gz GQYQGVBBNIJRMY-UHFFFAOYSA-N 1 1 301.386 3.350 20 10 DGCDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140663749 1091949599 /nfs/dbraw/zinc/94/95/99/1091949599.db2.gz OHLDUXYZTSMBID-LSDHHAIUSA-N 1 1 306.425 3.283 20 10 DGCDMO Fc1cc(N2CCOCC2)ccc1C[N@H+]1CCC2(CCCC2)C1 ZINC001140661528 1091950838 /nfs/dbraw/zinc/95/08/38/1091950838.db2.gz ICUXHGIQLTVYPV-UHFFFAOYSA-N 1 1 318.436 3.428 20 10 DGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1O ZINC001140749997 1091985558 /nfs/dbraw/zinc/98/55/58/1091985558.db2.gz RSVVMZJIVKVIMU-MRXNPFEDSA-N 1 1 317.360 3.199 20 10 DGCDMO Oc1c(F)cccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001276537909 1092002584 /nfs/dbraw/zinc/00/25/84/1092002584.db2.gz PMULVGVJLHLYDS-IYBDPMFKSA-N 1 1 304.409 3.123 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](CC)CCN2CCCC2)c(O)c1 ZINC001140855307 1092030431 /nfs/dbraw/zinc/03/04/31/1092030431.db2.gz UVBPXLAAOBPLMV-UHFFFAOYSA-N 1 1 319.493 3.156 20 10 DGCDMO CCN(CC[NH+]1CCCC1)Cc1ccc(N(CC)CC)cc1O ZINC001140855307 1092030442 /nfs/dbraw/zinc/03/04/42/1092030442.db2.gz UVBPXLAAOBPLMV-UHFFFAOYSA-N 1 1 319.493 3.156 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cscn2)c(O)c1 ZINC001140856001 1092030503 /nfs/dbraw/zinc/03/05/03/1092030503.db2.gz OMLCTSZSTYJQNU-UHFFFAOYSA-N 1 1 305.447 3.327 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cscn2)c(O)c1 ZINC001140856001 1092030512 /nfs/dbraw/zinc/03/05/12/1092030512.db2.gz OMLCTSZSTYJQNU-UHFFFAOYSA-N 1 1 305.447 3.327 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207627464 1092049202 /nfs/dbraw/zinc/04/92/02/1092049202.db2.gz ZGPBQDWWXBKCPS-IPMKNSEASA-N 1 1 312.457 3.167 20 10 DGCDMO Cc1ccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC001140948335 1092075511 /nfs/dbraw/zinc/07/55/11/1092075511.db2.gz FEVCTYDHNXXSMK-LJQANCHMSA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1ccc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC001140948335 1092075517 /nfs/dbraw/zinc/07/55/17/1092075517.db2.gz FEVCTYDHNXXSMK-LJQANCHMSA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC001140948335 1092075522 /nfs/dbraw/zinc/07/55/22/1092075522.db2.gz FEVCTYDHNXXSMK-LJQANCHMSA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c(O)c1 ZINC001140957492 1092080739 /nfs/dbraw/zinc/08/07/39/1092080739.db2.gz BGELZNNPKXVNQE-OAHLLOKOSA-N 1 1 305.418 3.397 20 10 DGCDMO C[N@@H+](CCc1cccnc1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075973 1092129988 /nfs/dbraw/zinc/12/99/88/1092129988.db2.gz IJXLGJIGYLYZKK-UHFFFAOYSA-N 1 1 321.468 3.455 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC1=O ZINC001141074634 1092130046 /nfs/dbraw/zinc/13/00/46/1092130046.db2.gz OXRQOAGLJHIEHN-OAHLLOKOSA-N 1 1 312.457 3.186 20 10 DGCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078303 1092131467 /nfs/dbraw/zinc/13/14/67/1092131467.db2.gz QSHRMCNLXQIBKM-LJQANCHMSA-N 1 1 314.473 3.385 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCCN3C)cc1 ZINC001141142563 1092148881 /nfs/dbraw/zinc/14/88/81/1092148881.db2.gz RXFJDWVKDBBJPL-UHFFFAOYSA-N 1 1 312.413 3.156 20 10 DGCDMO CN1CCOc2cc(C[N@H+]3CC[C@@H](Oc4ccccc4)C3)ccc21 ZINC001141143150 1092148965 /nfs/dbraw/zinc/14/89/65/1092148965.db2.gz PBEUCEGWPKQVCX-GOSISDBHSA-N 1 1 324.424 3.169 20 10 DGCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)c1 ZINC001141159840 1092155428 /nfs/dbraw/zinc/15/54/28/1092155428.db2.gz MRDAYJBWIMREIN-INIZCTEOSA-N 1 1 316.426 3.250 20 10 DGCDMO CC[N@@H+](Cc1cc(O)c(OC)c(OC)c1)Cc1ccccc1O ZINC001141173429 1092160843 /nfs/dbraw/zinc/16/08/43/1092160843.db2.gz AXIFXFWQLAIBRU-UHFFFAOYSA-N 1 1 317.385 3.137 20 10 DGCDMO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2O)CN1C(=O)OC(C)(C)C ZINC001168871120 1092406467 /nfs/dbraw/zinc/40/64/67/1092406467.db2.gz GZGNTRLWAWAXRD-DZGCQCFKSA-N 1 1 320.433 3.222 20 10 DGCDMO C[N@H+](CCCC(=O)c1cccnc1)Cc1cc(F)c(F)cc1O ZINC001142524607 1092493924 /nfs/dbraw/zinc/49/39/24/1092493924.db2.gz DCXQOQVZSFXKDM-UHFFFAOYSA-N 1 1 320.339 3.160 20 10 DGCDMO C[N@@H+](CCCC(=O)c1cccnc1)Cc1cc(F)c(F)cc1O ZINC001142524607 1092493933 /nfs/dbraw/zinc/49/39/33/1092493933.db2.gz DCXQOQVZSFXKDM-UHFFFAOYSA-N 1 1 320.339 3.160 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001142524738 1092494732 /nfs/dbraw/zinc/49/47/32/1092494732.db2.gz ISHOTUVMQMCJSH-LBPRGKRZSA-N 1 1 304.340 3.445 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001142524738 1092494737 /nfs/dbraw/zinc/49/47/37/1092494737.db2.gz ISHOTUVMQMCJSH-LBPRGKRZSA-N 1 1 304.340 3.445 20 10 DGCDMO O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530955 1092495097 /nfs/dbraw/zinc/49/50/97/1092495097.db2.gz MODBASDAHSNMRL-CYBMUJFWSA-N 1 1 317.335 3.375 20 10 DGCDMO O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142530955 1092495101 /nfs/dbraw/zinc/49/51/01/1092495101.db2.gz MODBASDAHSNMRL-CYBMUJFWSA-N 1 1 317.335 3.375 20 10 DGCDMO CN(C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143112693 1092616927 /nfs/dbraw/zinc/61/69/27/1092616927.db2.gz YFRICGTYTCMAED-DNVCBOLYSA-N 1 1 302.462 3.073 20 10 DGCDMO CN(C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143112693 1092616932 /nfs/dbraw/zinc/61/69/32/1092616932.db2.gz YFRICGTYTCMAED-DNVCBOLYSA-N 1 1 302.462 3.073 20 10 DGCDMO CN1C[C@@H]2CCC[N@@H+](Cc3cccc(C(C)(C)C)c3O)[C@@H]2C1 ZINC001143110871 1092616971 /nfs/dbraw/zinc/61/69/71/1092616971.db2.gz RYUVHJGZUYAGAM-WMLDXEAASA-N 1 1 302.462 3.216 20 10 DGCDMO C[N@@H+]1C[C@@H]2CCCN(Cc3cccc(C(C)(C)C)c3O)[C@@H]2C1 ZINC001143110871 1092616976 /nfs/dbraw/zinc/61/69/76/1092616976.db2.gz RYUVHJGZUYAGAM-WMLDXEAASA-N 1 1 302.462 3.216 20 10 DGCDMO C[N@H+]1C[C@@H]2CCCN(Cc3cccc(C(C)(C)C)c3O)[C@@H]2C1 ZINC001143110871 1092616980 /nfs/dbraw/zinc/61/69/80/1092616980.db2.gz RYUVHJGZUYAGAM-WMLDXEAASA-N 1 1 302.462 3.216 20 10 DGCDMO CN1CCC[C@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3O)C[C@H]21 ZINC001143116417 1092617624 /nfs/dbraw/zinc/61/76/24/1092617624.db2.gz ANFDCINLQIZNDO-WMLDXEAASA-N 1 1 302.462 3.216 20 10 DGCDMO CN(C1CC1)[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143112691 1092618100 /nfs/dbraw/zinc/61/81/00/1092618100.db2.gz YEZQCOWJYOHGSI-INIZCTEOSA-N 1 1 302.462 3.358 20 10 DGCDMO C[N@H+](C1CC1)[C@H]1CCN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143112691 1092618109 /nfs/dbraw/zinc/61/81/09/1092618109.db2.gz YEZQCOWJYOHGSI-INIZCTEOSA-N 1 1 302.462 3.358 20 10 DGCDMO C[N@@H+](C1CC1)[C@H]1CCN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143112691 1092618112 /nfs/dbraw/zinc/61/81/12/1092618112.db2.gz YEZQCOWJYOHGSI-INIZCTEOSA-N 1 1 302.462 3.358 20 10 DGCDMO C[N@@H+](Cc1cccc(C(C)(C)C)c1O)[C@H]1CCC2(C1)OCCO2 ZINC001143117155 1092618412 /nfs/dbraw/zinc/61/84/12/1092618412.db2.gz VSVJMBDJCYBNEW-HNNXBMFYSA-N 1 1 319.445 3.417 20 10 DGCDMO COc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccccc2OC)c(O)c1 ZINC000179950456 1093824539 /nfs/dbraw/zinc/82/45/39/1093824539.db2.gz KTELWYBTHRWHSV-AWEZNQCLSA-N 1 1 315.413 3.472 20 10 DGCDMO Nc1cc[nH+]c(-c2cc(Nc3c(O)cccc3Cl)ccn2)c1 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CC(C)(C)OCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000109761547 431178371 /nfs/dbraw/zinc/17/83/71/431178371.db2.gz RVQGVUDWUPTTJP-MRXNPFEDSA-N 1 1 307.434 3.188 20 10 DGCDMO Cc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc(C)[nH+]1 ZINC000043534148 431869521 /nfs/dbraw/zinc/86/95/21/431869521.db2.gz WPRJTZNSLXSZHU-UHFFFAOYSA-N 1 1 305.385 3.263 20 10 DGCDMO CCOc1cccc(CN(C)CC[C@H]2CCCC[N@H+]2C)c1O ZINC000093660021 431917763 /nfs/dbraw/zinc/91/77/63/431917763.db2.gz URMYIELZQDNIMF-MRXNPFEDSA-N 1 1 306.450 3.097 20 10 DGCDMO COc1cccc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c1O ZINC000271133996 432334748 /nfs/dbraw/zinc/33/47/48/432334748.db2.gz LLUWGIGYLMUZLO-GOSISDBHSA-N 1 1 313.397 3.147 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000271255739 432363014 /nfs/dbraw/zinc/36/30/14/432363014.db2.gz FZBXUXOYATZZOW-AWEZNQCLSA-N 1 1 312.417 3.076 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000271255739 432363021 /nfs/dbraw/zinc/36/30/21/432363021.db2.gz FZBXUXOYATZZOW-AWEZNQCLSA-N 1 1 312.417 3.076 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000271255739 432363025 /nfs/dbraw/zinc/36/30/25/432363025.db2.gz FZBXUXOYATZZOW-AWEZNQCLSA-N 1 1 312.417 3.076 20 10 DGCDMO COC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1ccc(C)o1 ZINC000184716917 432426353 /nfs/dbraw/zinc/42/63/53/432426353.db2.gz XFOCUKXWKGITRB-OAHLLOKOSA-N 1 1 321.348 3.113 20 10 DGCDMO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000193280338 432463772 /nfs/dbraw/zinc/46/37/72/432463772.db2.gz ALSFMWDXLWIRHL-MPSDLYAZSA-N 1 1 310.246 3.117 20 10 DGCDMO C[C@H]([NH2+]CCOc1ncccc1Cl)c1ccc(F)cc1O ZINC000186106980 432558765 /nfs/dbraw/zinc/55/87/65/432558765.db2.gz WIYYGTDTWZAKGA-JTQLQIEISA-N 1 1 310.756 3.309 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000155198133 432544241 /nfs/dbraw/zinc/54/42/41/432544241.db2.gz SOGUKPDZMSMOBZ-UHFFFAOYSA-N 1 1 321.428 3.170 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H]1CCCN(C(C)C)C1=O ZINC000177027164 432575821 /nfs/dbraw/zinc/57/58/21/432575821.db2.gz SWEYVQHCXWGGOT-INIZCTEOSA-N 1 1 304.434 3.004 20 10 DGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186487609 432600885 /nfs/dbraw/zinc/60/08/85/432600885.db2.gz BFXVPOGZPWRVDM-UHFFFAOYSA-N 1 1 313.850 3.144 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(F)cc1O ZINC000273475441 432603036 /nfs/dbraw/zinc/60/30/36/432603036.db2.gz SSCMWJKGXZCUKI-BBRMVZONSA-N 1 1 303.377 3.176 20 10 DGCDMO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)[nH]1 ZINC000276761891 432824077 /nfs/dbraw/zinc/82/40/77/432824077.db2.gz AJBJELKEGXWRSW-OLZOCXBDSA-N 1 1 301.438 3.235 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000278270285 432891163 /nfs/dbraw/zinc/89/11/63/432891163.db2.gz RRDZHYGMZCWCOW-UHFFFAOYSA-N 1 1 308.359 3.003 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCC[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000278267600 432891217 /nfs/dbraw/zinc/89/12/17/432891217.db2.gz READPIDCULIUAG-ZDUSSCGKSA-N 1 1 306.362 3.074 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCC[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000278267600 432891219 /nfs/dbraw/zinc/89/12/19/432891219.db2.gz READPIDCULIUAG-ZDUSSCGKSA-N 1 1 306.362 3.074 20 10 DGCDMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000277475184 432854062 /nfs/dbraw/zinc/85/40/62/432854062.db2.gz MIZOQQDMXSLLMJ-YJBOKZPZSA-N 1 1 301.361 3.399 20 10 DGCDMO COC[C@@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)OC ZINC000278643750 432897619 /nfs/dbraw/zinc/89/76/19/432897619.db2.gz HQCOQQPMYJLEDF-RKDXNWHRSA-N 1 1 308.205 3.011 20 10 DGCDMO COc1c(O)c(C[NH2+][C@H](C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000278917742 432916447 /nfs/dbraw/zinc/91/64/47/432916447.db2.gz UKSDULNMNGNLFF-SNVBAGLBSA-N 1 1 322.386 3.091 20 10 DGCDMO Cc1cc(Br)cc(C[N@@H+](C)CCCCCO)c1O ZINC000279509191 432977526 /nfs/dbraw/zinc/97/75/26/432977526.db2.gz XBDJXRHEYFUUIV-UHFFFAOYSA-N 1 1 316.239 3.058 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(F)cc1O ZINC000297267826 432984680 /nfs/dbraw/zinc/98/46/80/432984680.db2.gz KLXZQGYEZWSZHA-RDJZCZTQSA-N 1 1 321.367 3.315 20 10 DGCDMO c1n[nH]c2c1CC[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC000374541118 433216221 /nfs/dbraw/zinc/21/62/21/433216221.db2.gz JFFKQTLUOKTOGH-KRWDZBQOSA-N 1 1 310.445 3.047 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000281139799 433266141 /nfs/dbraw/zinc/26/61/41/433266141.db2.gz OFIQQPTWKQKRQE-INIZCTEOSA-N 1 1 324.424 3.186 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1O ZINC000377241875 433851200 /nfs/dbraw/zinc/85/12/00/433851200.db2.gz GSKRYQFVRGZYEX-HNNXBMFYSA-N 1 1 305.418 3.039 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)ccc1N(C)C ZINC000294450805 434117307 /nfs/dbraw/zinc/11/73/07/434117307.db2.gz FUAMNIMEEMNYSG-KRWDZBQOSA-N 1 1 318.461 3.036 20 10 DGCDMO CCn1nc(C)c(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000294610058 434121498 /nfs/dbraw/zinc/12/14/98/434121498.db2.gz VZWVGOHIOMDCDU-UHFFFAOYSA-N 1 1 315.465 3.083 20 10 DGCDMO CCn1nc(C)c(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000294610058 434121506 /nfs/dbraw/zinc/12/15/06/434121506.db2.gz VZWVGOHIOMDCDU-UHFFFAOYSA-N 1 1 315.465 3.083 20 10 DGCDMO c1cc(N2CCCCC2)ccc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000378352356 434157384 /nfs/dbraw/zinc/15/73/84/434157384.db2.gz VMSNXLZAISWEOH-FQEVSTJZSA-N 1 1 313.489 3.347 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000367701479 434554968 /nfs/dbraw/zinc/55/49/68/434554968.db2.gz LBGHDDBRBPSHSX-CYBMUJFWSA-N 1 1 323.742 3.325 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000367684783 434555165 /nfs/dbraw/zinc/55/51/65/434555165.db2.gz LLVGFASPQICZQO-JKSUJKDBSA-N 1 1 319.445 3.430 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1O ZINC000368167131 434568069 /nfs/dbraw/zinc/56/80/69/434568069.db2.gz LHYTYKPXHHYCEP-MRXNPFEDSA-N 1 1 317.360 3.193 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1O ZINC000527997622 435018744 /nfs/dbraw/zinc/01/87/44/435018744.db2.gz JBWYABWKRBQIJK-GOEBONIOSA-N 1 1 314.360 3.135 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)c(O)c1 ZINC000295233214 335131329 /nfs/dbraw/zinc/13/13/29/335131329.db2.gz ODJSLMFYPBFAGZ-HNNXBMFYSA-N 1 1 307.434 3.164 20 10 DGCDMO CCCOc1ccc(C[N@@H+](C)[C@@H](CO)c2ccccc2)c(O)c1 ZINC000295143680 335132853 /nfs/dbraw/zinc/13/28/53/335132853.db2.gz ZYTNZSUXQPTFMC-SFHVURJKSA-N 1 1 315.413 3.346 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)Cc2ccc(Cl)nc2)cc1OC ZINC000159721070 522773305 /nfs/dbraw/zinc/77/33/05/522773305.db2.gz ALKISYOEOISYMG-UHFFFAOYSA-N 1 1 322.792 3.090 20 10 DGCDMO COc1cc(O)c(C[N@@H+]2CCc3cccc(F)c3C2)cc1OC ZINC000160528727 522776226 /nfs/dbraw/zinc/77/62/26/522776226.db2.gz IOBGZQPBLAAIEE-UHFFFAOYSA-N 1 1 317.360 3.107 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCc3cccc(F)c3C2)cc1OC ZINC000160528727 522776234 /nfs/dbraw/zinc/77/62/34/522776234.db2.gz IOBGZQPBLAAIEE-UHFFFAOYSA-N 1 1 317.360 3.107 20 10 DGCDMO Cc1cccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c1O ZINC000180770839 524375840 /nfs/dbraw/zinc/37/58/40/524375840.db2.gz MPNVTLCMAPIMMX-UHFFFAOYSA-N 1 1 313.323 3.085 20 10 DGCDMO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000180271163 526348662 /nfs/dbraw/zinc/34/86/62/526348662.db2.gz ZNMDLUJMBGSTGE-GOEBONIOSA-N 1 1 305.349 3.212 20 10 DGCDMO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C1=CC(=O)CS1 ZINC000731866421 574560344 /nfs/dbraw/zinc/56/03/44/574560344.db2.gz NFBZSGUSCJZPMA-GFCCVEGCSA-N 1 1 322.455 3.082 20 10 DGCDMO CCCCNC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731848107 574560262 /nfs/dbraw/zinc/56/02/62/574560262.db2.gz SEMABBWSPKRBLM-UHFFFAOYSA-N 1 1 304.434 3.053 20 10 DGCDMO CC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)C[C@H]1CCOC1 ZINC000738081024 574858671 /nfs/dbraw/zinc/85/86/71/574858671.db2.gz JJCHOFIGKYBYPJ-CQSZACIVSA-N 1 1 315.413 3.412 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](C3OCCO3)C2)cc1C(C)C ZINC000738148980 574860149 /nfs/dbraw/zinc/86/01/49/574860149.db2.gz NYKLOTZCOZEOPL-HNNXBMFYSA-N 1 1 319.445 3.409 20 10 DGCDMO CCOc1ccc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)c(O)c1 ZINC000742390513 574995953 /nfs/dbraw/zinc/99/59/53/574995953.db2.gz JKAGNXZFPZVKMT-LLVKDONJSA-N 1 1 319.405 3.322 20 10 DGCDMO C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1O ZINC000744403067 575339978 /nfs/dbraw/zinc/33/99/78/575339978.db2.gz VAZIXGKMIWXZME-UHFFFAOYSA-N 1 1 320.339 3.131 20 10 DGCDMO C[C@H](CCNC(=O)C1=CC(=O)CS1)[N@@H+](C)Cc1ccccc1 ZINC000746693128 575470603 /nfs/dbraw/zinc/47/06/03/575470603.db2.gz BPJPYJWYFSFJIT-CYBMUJFWSA-N 1 1 318.442 3.094 20 10 DGCDMO COc1ccc(N2CCC[N@H+]([C@H](C)c3ccccn3)CC2)cc1 ZINC000750039559 575699057 /nfs/dbraw/zinc/69/90/57/575699057.db2.gz PVXCKMZECQMUSW-MRXNPFEDSA-N 1 1 311.429 3.364 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C2Cc3ccccc3C2)c1O ZINC000750818680 575753553 /nfs/dbraw/zinc/75/35/53/575753553.db2.gz ACHWEMKFEFJQOI-UHFFFAOYSA-N 1 1 313.372 3.333 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)C2Cc3ccccc3C2)c1O ZINC000750818680 575753555 /nfs/dbraw/zinc/75/35/55/575753555.db2.gz ACHWEMKFEFJQOI-UHFFFAOYSA-N 1 1 313.372 3.333 20 10 DGCDMO Cc1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2F)ccc1N(C)C ZINC000852713944 620642312 /nfs/dbraw/zinc/64/23/12/620642312.db2.gz RSLZLTJUEGCGGA-KRWDZBQOSA-N 1 1 320.383 3.162 20 10 DGCDMO CCCCOC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075118 620654827 /nfs/dbraw/zinc/65/48/27/620654827.db2.gz QMDUGXLOSHNCIT-UHFFFAOYSA-N 1 1 306.450 3.306 20 10 DGCDMO CCCCOC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075118 620654828 /nfs/dbraw/zinc/65/48/28/620654828.db2.gz QMDUGXLOSHNCIT-UHFFFAOYSA-N 1 1 306.450 3.306 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241019 620681491 /nfs/dbraw/zinc/68/14/91/620681491.db2.gz RRVLWYWWCOLOOO-ZFWWWQNUSA-N 1 1 306.425 3.304 20 10 DGCDMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC000111236074 620685581 /nfs/dbraw/zinc/68/55/81/620685581.db2.gz ZVEGZZCDJARGLK-OAHLLOKOSA-N 1 1 312.413 3.468 20 10 DGCDMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC000918186708 620701699 /nfs/dbraw/zinc/70/16/99/620701699.db2.gz GZOQSLHZFKWPET-INIZCTEOSA-N 1 1 311.429 3.364 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853585925 620713058 /nfs/dbraw/zinc/71/30/58/620713058.db2.gz LJTKOXVMFMVIIE-UKRRQHHQSA-N 1 1 319.445 3.167 20 10 DGCDMO Oc1ccc2oc3c(c2c1C[N@H+]1CCC2(COC2)C1)CCCC3 ZINC000853594161 620713303 /nfs/dbraw/zinc/71/33/03/620713303.db2.gz AJNDXDRNQSKCDO-UHFFFAOYSA-N 1 1 313.397 3.240 20 10 DGCDMO COc1ccc(N2CC[C@@H](Nc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000853758903 620734392 /nfs/dbraw/zinc/73/43/92/620734392.db2.gz MKLBQWDBUDRUDZ-CYBMUJFWSA-N 1 1 308.385 3.262 20 10 DGCDMO CC[N@@H+](CCc1ccccc1)Cc1ccc(OC)c(OC)c1O ZINC000891620026 617853851 /nfs/dbraw/zinc/85/38/51/617853851.db2.gz MNKSOVMTZWJKHC-UHFFFAOYSA-N 1 1 315.413 3.474 20 10 DGCDMO COc1cc(C)cc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)c1O ZINC000894541327 618376263 /nfs/dbraw/zinc/37/62/63/618376263.db2.gz BUQUVTFBEVVWCH-LLVKDONJSA-N 1 1 319.405 3.241 20 10 DGCDMO Cc1n[nH]cc1C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000894689810 618424573 /nfs/dbraw/zinc/42/45/73/618424573.db2.gz JNUNAQLGXGOMFA-UHFFFAOYSA-N 1 1 307.344 3.082 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c1O ZINC000894748840 618443218 /nfs/dbraw/zinc/44/32/18/618443218.db2.gz XPNBCCMUQLZRHT-ZBFHGGJFSA-N 1 1 307.434 3.225 20 10 DGCDMO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)c1ccc(C)o1 ZINC000840935224 618609929 /nfs/dbraw/zinc/60/99/29/618609929.db2.gz IVVLXFSDELEABH-QGZVFWFLSA-N 1 1 302.418 3.440 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1nnc(C(C)C)s1 ZINC000840938564 618610873 /nfs/dbraw/zinc/61/08/73/618610873.db2.gz OJZQRPOBPCOEBP-UHFFFAOYSA-N 1 1 304.463 3.326 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000894096675 618709256 /nfs/dbraw/zinc/70/92/56/618709256.db2.gz WEBMHVWOZDPGJI-HIFRSBDPSA-N 1 1 323.339 3.352 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000894096675 618709259 /nfs/dbraw/zinc/70/92/59/618709259.db2.gz WEBMHVWOZDPGJI-HIFRSBDPSA-N 1 1 323.339 3.352 20 10 DGCDMO Cc1csc([C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3O)C2)n1 ZINC000895473039 618788929 /nfs/dbraw/zinc/78/89/29/618788929.db2.gz NFWXGRLEDFVBQJ-SNVBAGLBSA-N 1 1 310.369 3.425 20 10 DGCDMO Cc1csc([C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C2)n1 ZINC000895473039 618788931 /nfs/dbraw/zinc/78/89/31/618788931.db2.gz NFWXGRLEDFVBQJ-SNVBAGLBSA-N 1 1 310.369 3.425 20 10 DGCDMO COc1c(O)c(C[NH2+]CC(C)(C)CC(F)F)ccc1[N+](=O)[O-] ZINC000895535818 618795989 /nfs/dbraw/zinc/79/59/89/618795989.db2.gz ZFIPGCNYJQRSLU-UHFFFAOYSA-N 1 1 318.320 3.080 20 10 DGCDMO CC1([NH+]2CCC2)CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000895671067 618816531 /nfs/dbraw/zinc/81/65/31/618816531.db2.gz MWJFMSFNIZLYBQ-UHFFFAOYSA-N 1 1 312.816 3.245 20 10 DGCDMO C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(F)c(F)c1[O-] ZINC000895683187 618818631 /nfs/dbraw/zinc/81/86/31/618818631.db2.gz IHTATZZLFBGNOU-UHFFFAOYSA-N 1 1 312.404 3.368 20 10 DGCDMO COc1cccc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)c1O ZINC000895716563 618822128 /nfs/dbraw/zinc/82/21/28/618822128.db2.gz JCWSRUDNCLUIQE-INIZCTEOSA-N 1 1 319.445 3.430 20 10 DGCDMO COc1ccc(C[N@@H+](CCO)Cc2cccc(Cl)c2[O-])cc1 ZINC000895709693 618822444 /nfs/dbraw/zinc/82/24/44/618822444.db2.gz BNKJJJGWDYILMH-UHFFFAOYSA-N 1 1 321.804 3.049 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000896227828 618888982 /nfs/dbraw/zinc/88/89/82/618888982.db2.gz PCNOZMVYBZOQFP-ZDUSSCGKSA-N 1 1 319.298 3.267 20 10 DGCDMO Cn1ccc([C@@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000896490269 618917885 /nfs/dbraw/zinc/91/78/85/618917885.db2.gz RIUUBHNIQPFBDD-LLVKDONJSA-N 1 1 323.799 3.298 20 10 DGCDMO Cn1ccc([C@@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC000896490269 618917890 /nfs/dbraw/zinc/91/78/90/618917890.db2.gz RIUUBHNIQPFBDD-LLVKDONJSA-N 1 1 323.799 3.298 20 10 DGCDMO Cc1cc(O)c(C[NH2+][C@H](c2ncccn2)C2CC2)cc1Cl ZINC000896596899 618932858 /nfs/dbraw/zinc/93/28/58/618932858.db2.gz LFRVAKTUHXNHFA-HNNXBMFYSA-N 1 1 303.793 3.385 20 10 DGCDMO C[C@@H]([NH2+]Cc1c(O)cccc1F)[C@@H]1COc2ccccc2C1 ZINC000896642928 618937924 /nfs/dbraw/zinc/93/79/24/618937924.db2.gz SJRRAFITFAELRT-OCCSQVGLSA-N 1 1 301.361 3.261 20 10 DGCDMO COc1cc2c(c(C[NH2+]Cc3c(O)cccc3F)c1)O[C@H](C)C2 ZINC000896642459 618937930 /nfs/dbraw/zinc/93/79/30/618937930.db2.gz WYWYDDMPERCSOZ-LLVKDONJSA-N 1 1 317.360 3.153 20 10 DGCDMO CCN(CC)c1ncc(C[NH2+]Cc2c(O)cccc2F)s1 ZINC000896639769 618939892 /nfs/dbraw/zinc/93/98/92/618939892.db2.gz GLWWNEKHEXMKAB-UHFFFAOYSA-N 1 1 309.410 3.124 20 10 DGCDMO Oc1cccc(F)c1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000896641836 618940373 /nfs/dbraw/zinc/94/03/73/618940373.db2.gz SYDSNAWOXKRHOS-UHFFFAOYSA-N 1 1 323.751 3.246 20 10 DGCDMO Cc1nc(C)c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000788020450 619031780 /nfs/dbraw/zinc/03/17/80/619031780.db2.gz QNNNJBAOLTVXOS-MRXNPFEDSA-N 1 1 316.401 3.178 20 10 DGCDMO COc1ccc(C[N@@H+](CCCO)Cc2c(C)cccc2O)cc1 ZINC000898173016 619220588 /nfs/dbraw/zinc/22/05/88/619220588.db2.gz FNAXBOUOLWLZGJ-UHFFFAOYSA-N 1 1 315.413 3.094 20 10 DGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccccc2Cl)cc1 ZINC000841044159 619246139 /nfs/dbraw/zinc/24/61/39/619246139.db2.gz UFBDXHVOMOCQFD-QGZVFWFLSA-N 1 1 303.837 3.196 20 10 DGCDMO CN(C)c1ccc([C@H](CN[C@H]2CCc3cccnc32)[NH+](C)C)cc1 ZINC000898447959 619276875 /nfs/dbraw/zinc/27/68/75/619276875.db2.gz NSTYPHIBJPUJMP-OALUTQOASA-N 1 1 324.472 3.027 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000898512330 619281815 /nfs/dbraw/zinc/28/18/15/619281815.db2.gz ISXZHINRIPZZMZ-HZPDHXFCSA-N 1 1 319.445 3.348 20 10 DGCDMO CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(F)cc1O ZINC000902433317 619635343 /nfs/dbraw/zinc/63/53/43/619635343.db2.gz JGXNXFRGSTYCEN-JFIYKMOQSA-N 1 1 300.377 3.197 20 10 DGCDMO CC[C@@H]1c2ccccc2C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902666446 619662445 /nfs/dbraw/zinc/66/24/45/619662445.db2.gz PYJODNOCLBSDGL-AEFFLSMTSA-N 1 1 311.381 3.285 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(F)cc1O ZINC000903179565 619730927 /nfs/dbraw/zinc/73/09/27/619730927.db2.gz QRKWEUKMYXKFHD-FWDPORAESA-N 1 1 307.287 3.292 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1cccc(C(F)(F)F)c1O ZINC000903301267 619753941 /nfs/dbraw/zinc/75/39/41/619753941.db2.gz PETLODFUGRKBOU-KWBADKCTSA-N 1 1 302.340 3.154 20 10 DGCDMO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(Br)cn2)c(O)c1 ZINC000903320307 619755446 /nfs/dbraw/zinc/75/54/46/619755446.db2.gz FAQWJIUYWFHCRW-SNVBAGLBSA-N 1 1 322.206 3.104 20 10 DGCDMO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(Br)cn2)c1 ZINC000903320847 619755462 /nfs/dbraw/zinc/75/54/62/619755462.db2.gz RZFFPLKMJBHYND-JTQLQIEISA-N 1 1 322.206 3.104 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@]1(OC(C)C)CCOC1)c1ccc(F)cc1O ZINC000903357221 619764718 /nfs/dbraw/zinc/76/47/18/619764718.db2.gz LAYQGZCJHPZDLD-WBVHZDCISA-N 1 1 311.397 3.156 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cscn1 ZINC000903447832 619778169 /nfs/dbraw/zinc/77/81/69/619778169.db2.gz CWYJLXUHWLVXBY-CXAGYDPISA-N 1 1 318.490 3.163 20 10 DGCDMO Cc1cc(-c2nc(C3([NH3+])CC3)no2)c(C)n1-c1ccc(F)cc1 ZINC000905314443 619986355 /nfs/dbraw/zinc/98/63/55/619986355.db2.gz JJDKHLOXTRMTJN-UHFFFAOYSA-N 1 1 312.348 3.231 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@@H](C)CC3)c2c1 ZINC000905740043 620024708 /nfs/dbraw/zinc/02/47/08/620024708.db2.gz PXTAFNOMZOIFLM-ZDUSSCGKSA-N 1 1 301.386 3.165 20 10 DGCDMO COc1cc(C[N@H+]2CCCOC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000754739481 620578347 /nfs/dbraw/zinc/57/83/47/620578347.db2.gz CCXXLOPEPFOHDP-ZDUSSCGKSA-N 1 1 307.434 3.309 20 10 DGCDMO COc1ccc(CNCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000915678506 620593635 /nfs/dbraw/zinc/59/36/35/620593635.db2.gz PNGGMZQCIGMONF-HOTGVXAUSA-N 1 1 304.478 3.461 20 10 DGCDMO COCCC[N@@H+](CCOC)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000921055407 620835619 /nfs/dbraw/zinc/83/56/19/620835619.db2.gz OJHLHGMTVYKHKO-UHFFFAOYSA-N 1 1 323.477 3.483 20 10 DGCDMO C[N@H+]1CCC[C@H](c2cccc(C(=O)NCc3ccccc3O)c2)C1 ZINC000857094149 621057467 /nfs/dbraw/zinc/05/74/67/621057467.db2.gz UENNUCOZENVDOC-SFHVURJKSA-N 1 1 324.424 3.131 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857868856 621125208 /nfs/dbraw/zinc/12/52/08/621125208.db2.gz DXXIYUIJDWXHOL-RDTXWAMCSA-N 1 1 312.461 3.382 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000858179552 621161969 /nfs/dbraw/zinc/16/19/69/621161969.db2.gz NWTPWPKHXGRDBL-SJLPKXTDSA-N 1 1 317.521 3.454 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccns2)c1 ZINC000858577053 621206232 /nfs/dbraw/zinc/20/62/32/621206232.db2.gz OIRPFNXGDPJSKS-VHSXEESVSA-N 1 1 306.387 3.047 20 10 DGCDMO CCCC[N@@H+](CC(=O)NCC(C)(C)C)Cc1ccccc1O ZINC000859296405 621268034 /nfs/dbraw/zinc/26/80/34/621268034.db2.gz IQGCPKXKKJMIMK-UHFFFAOYSA-N 1 1 306.450 3.157 20 10 DGCDMO C[C@H]1COCC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000753995449 621478730 /nfs/dbraw/zinc/47/87/30/621478730.db2.gz VOADUPXFMCRELW-CYBMUJFWSA-N 1 1 315.413 3.486 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccnc(N(C)C)c2)C2CC2)cc1 ZINC000754009301 621479621 /nfs/dbraw/zinc/47/96/21/621479621.db2.gz AYJDJKJCSCBSPY-UHFFFAOYSA-N 1 1 324.472 3.378 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC3(C2)CCOCC3)cc1F ZINC000862250630 621567562 /nfs/dbraw/zinc/56/75/62/621567562.db2.gz MUSGGNJTGKBSFB-UHFFFAOYSA-N 1 1 310.388 3.033 20 10 DGCDMO C[C@]1(F)CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862382117 621582347 /nfs/dbraw/zinc/58/23/47/621582347.db2.gz PYPSTIQGXTUMHW-ZDUSSCGKSA-N 1 1 302.187 3.479 20 10 DGCDMO C[C@]1(F)CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862382117 621582351 /nfs/dbraw/zinc/58/23/51/621582351.db2.gz PYPSTIQGXTUMHW-ZDUSSCGKSA-N 1 1 302.187 3.479 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1F ZINC000862398291 621584278 /nfs/dbraw/zinc/58/42/78/621584278.db2.gz DMQLHRFMMJIRAZ-CQSZACIVSA-N 1 1 317.383 3.415 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)cc1C ZINC000862482644 621593953 /nfs/dbraw/zinc/59/39/53/621593953.db2.gz KMGVHUXILNJDNV-HXUWFJFHSA-N 1 1 311.425 3.493 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000862486101 621594760 /nfs/dbraw/zinc/59/47/60/621594760.db2.gz VNOZKPUCBAGRSY-ZFWWWQNUSA-N 1 1 305.418 3.192 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@H]1C(=O)OC(C)(C)C ZINC000862485139 621594913 /nfs/dbraw/zinc/59/49/13/621594913.db2.gz HSBDAWPSZCKOBZ-IUODEOHRSA-N 1 1 323.408 3.331 20 10 DGCDMO CCC(O)(CC)C[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000862538577 621598292 /nfs/dbraw/zinc/59/82/92/621598292.db2.gz AXRWBQIOPUBZFP-UHFFFAOYSA-N 1 1 301.814 3.037 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2ccccc2F)c1 ZINC000756356392 621630531 /nfs/dbraw/zinc/63/05/31/621630531.db2.gz BERUJUSQDMEBNN-LBPRGKRZSA-N 1 1 317.360 3.211 20 10 DGCDMO COc1ccccc1OCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756371476 621632392 /nfs/dbraw/zinc/63/23/92/621632392.db2.gz JYICPCREKTUVBC-LLVKDONJSA-N 1 1 323.339 3.409 20 10 DGCDMO COc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)c(OC)c1 ZINC000756495382 621641945 /nfs/dbraw/zinc/64/19/45/621641945.db2.gz JPRRIMSBDBSGPK-LBPRGKRZSA-N 1 1 319.376 3.442 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)ccc2F)c1 ZINC000756549400 621647121 /nfs/dbraw/zinc/64/71/21/621647121.db2.gz NJCCWNFCHHICJC-SNVBAGLBSA-N 1 1 321.323 3.308 20 10 DGCDMO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756555076 621647707 /nfs/dbraw/zinc/64/77/07/621647707.db2.gz RRFQNFOIGMUYPM-ISVAXAHUSA-N 1 1 320.202 3.105 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H](SC)C2)c1 ZINC000756610530 621652759 /nfs/dbraw/zinc/65/27/59/621652759.db2.gz PGTTWKVDGNUNSK-CYZMBNFOSA-N 1 1 309.431 3.114 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)c2ccncc2)c1 ZINC000756632966 621654558 /nfs/dbraw/zinc/65/45/58/621654558.db2.gz GCWNCGXXWBRDFF-QWHCGFSZSA-N 1 1 314.385 3.028 20 10 DGCDMO C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(F)cc(F)c1O ZINC000756713024 621659917 /nfs/dbraw/zinc/65/99/17/621659917.db2.gz SNGYICKWAUVLAZ-BJOHPYRUSA-N 1 1 311.303 3.194 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccc(F)cc1O ZINC000756741915 621661875 /nfs/dbraw/zinc/66/18/75/621661875.db2.gz YRMCJZUPSGTUNE-PSLIRLAXSA-N 1 1 311.303 3.194 20 10 DGCDMO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c[nH]nc32)c2c1c(F)ccc2O ZINC000756761903 621662625 /nfs/dbraw/zinc/66/26/25/621662625.db2.gz NBMPYOQBMSOOOJ-JIMOISOXSA-N 1 1 301.365 3.470 20 10 DGCDMO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c[nH]nc32)c2c1c(F)ccc2O ZINC000756761906 621662707 /nfs/dbraw/zinc/66/27/07/621662707.db2.gz NBMPYOQBMSOOOJ-OASPWFOLSA-N 1 1 301.365 3.470 20 10 DGCDMO CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000863547242 621682975 /nfs/dbraw/zinc/68/29/75/621682975.db2.gz QKOORMGYOQGICM-ZEGGKSINSA-N 1 1 303.233 3.490 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)CCCC2 ZINC000789500070 625511790 /nfs/dbraw/zinc/51/17/90/625511790.db2.gz BZPDCUJLXWFVAS-MJGOQNOKSA-N 1 1 301.430 3.414 20 10 DGCDMO C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000757640488 621730631 /nfs/dbraw/zinc/73/06/31/621730631.db2.gz XEZKOFIBLNMOGC-OCCSQVGLSA-N 1 1 306.425 3.401 20 10 DGCDMO CCN(CC)c1ccc(CN2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000763607977 622154856 /nfs/dbraw/zinc/15/48/56/622154856.db2.gz VDCZXCLNLPSWGR-SFHVURJKSA-N 1 1 303.494 3.449 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)CCN1CC(F)F ZINC000765721055 622283952 /nfs/dbraw/zinc/28/39/52/622283952.db2.gz OCXLOMRXMUCUOD-HNNXBMFYSA-N 1 1 312.404 3.170 20 10 DGCDMO CCN(C)c1ccc([C@@H](C)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000765873607 622292328 /nfs/dbraw/zinc/29/23/28/622292328.db2.gz OCNZLAROFHONSN-QAPCUYQASA-N 1 1 301.478 3.278 20 10 DGCDMO CCN(C)c1ccc([C@@H](C)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000765873607 622292329 /nfs/dbraw/zinc/29/23/29/622292329.db2.gz OCNZLAROFHONSN-QAPCUYQASA-N 1 1 301.478 3.278 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)OC)cc1 ZINC000768216243 622446002 /nfs/dbraw/zinc/44/60/02/622446002.db2.gz UEKAJTYXYMWLNA-QGZVFWFLSA-N 1 1 304.434 3.060 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)OC)cc1 ZINC000768216243 622446003 /nfs/dbraw/zinc/44/60/03/622446003.db2.gz UEKAJTYXYMWLNA-QGZVFWFLSA-N 1 1 304.434 3.060 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c(O)c1 ZINC000768239442 622446982 /nfs/dbraw/zinc/44/69/82/622446982.db2.gz WEVYWLIGBDASNI-IBGZPJMESA-N 1 1 313.397 3.364 20 10 DGCDMO NC(=O)C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CCCC1 ZINC000768258151 622447528 /nfs/dbraw/zinc/44/75/28/622447528.db2.gz QVVPTAVXHVNLOW-UHFFFAOYSA-N 1 1 324.424 3.289 20 10 DGCDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768320259 622450096 /nfs/dbraw/zinc/45/00/96/622450096.db2.gz RRSDGSOVWOQJKW-QGZVFWFLSA-N 1 1 306.425 3.283 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768437839 622455648 /nfs/dbraw/zinc/45/56/48/622455648.db2.gz KFVWITPBUYYFHF-SFHVURJKSA-N 1 1 313.397 3.230 20 10 DGCDMO CC(C)C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CCCC1 ZINC000768439828 622456238 /nfs/dbraw/zinc/45/62/38/622456238.db2.gz KXNJRGHLFQNXLE-QGZVFWFLSA-N 1 1 305.418 3.219 20 10 DGCDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000768443047 622456288 /nfs/dbraw/zinc/45/62/88/622456288.db2.gz YBQMOZWONSGMHX-PBHICJAKSA-N 1 1 324.424 3.145 20 10 DGCDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441154 622456461 /nfs/dbraw/zinc/45/64/61/622456461.db2.gz WHRLZWZBJQTWOU-SFHVURJKSA-N 1 1 313.397 3.149 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](n3ccnc3)C1)CCCC2 ZINC000768449428 622456673 /nfs/dbraw/zinc/45/66/73/622456673.db2.gz ZGKONDHLQPWTLW-SFHVURJKSA-N 1 1 311.429 3.305 20 10 DGCDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768449274 622456817 /nfs/dbraw/zinc/45/68/17/622456817.db2.gz ZABGVBPIQVSICB-DYVFJYSZSA-N 1 1 305.418 3.076 20 10 DGCDMO C[C@@H](C[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O)c1ccccc1 ZINC000768449045 622456832 /nfs/dbraw/zinc/45/68/32/622456832.db2.gz DARQYBBEQLIJHF-SCLBCKFNSA-N 1 1 313.397 3.054 20 10 DGCDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768446238 622456866 /nfs/dbraw/zinc/45/68/66/622456866.db2.gz LROPACMFOGHOBO-RHSMWYFYSA-N 1 1 319.445 3.466 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1CN1CCCC1)CCCC2 ZINC000768447292 622456894 /nfs/dbraw/zinc/45/68/94/622456894.db2.gz OBVMPQUPNCNAOJ-LJQANCHMSA-N 1 1 314.473 3.331 20 10 DGCDMO Oc1cc2c(cc1CN1CCC[C@@H]1C[NH+]1CCCC1)CCCC2 ZINC000768447292 622456897 /nfs/dbraw/zinc/45/68/97/622456897.db2.gz OBVMPQUPNCNAOJ-LJQANCHMSA-N 1 1 314.473 3.331 20 10 DGCDMO CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768445158 622457189 /nfs/dbraw/zinc/45/71/89/622457189.db2.gz QEYVBTQFPLLXSW-XJKSGUPXSA-N 1 1 305.418 3.219 20 10 DGCDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768465573 622458044 /nfs/dbraw/zinc/45/80/44/622458044.db2.gz ISCJFYYHZFJIRK-XGWLTEMNSA-N 1 1 305.418 3.219 20 10 DGCDMO COc1cc(C[N@H+]2CCc3ccc(F)cc3C2)c(O)cc1C ZINC000768462137 622458127 /nfs/dbraw/zinc/45/81/27/622458127.db2.gz JWTXTABJKNMIMI-UHFFFAOYSA-N 1 1 301.361 3.407 20 10 DGCDMO COc1cc(C[N@H+]2CCc3cccc(F)c3C2)c(O)cc1C ZINC000768464621 622458270 /nfs/dbraw/zinc/45/82/70/622458270.db2.gz DHXZPALWRFJFMG-UHFFFAOYSA-N 1 1 301.361 3.407 20 10 DGCDMO CC[N@H+](C)C[C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000768467069 622458802 /nfs/dbraw/zinc/45/88/02/622458802.db2.gz WYQSJCPGWJGSBB-HNNXBMFYSA-N 1 1 302.462 3.045 20 10 DGCDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000768467069 622458803 /nfs/dbraw/zinc/45/88/03/622458803.db2.gz WYQSJCPGWJGSBB-HNNXBMFYSA-N 1 1 302.462 3.045 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000769044433 622494205 /nfs/dbraw/zinc/49/42/05/622494205.db2.gz HGVCAEYAVOVZOX-OAHLLOKOSA-N 1 1 317.385 3.175 20 10 DGCDMO COc1cccc(O)c1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000769044433 622494207 /nfs/dbraw/zinc/49/42/07/622494207.db2.gz HGVCAEYAVOVZOX-OAHLLOKOSA-N 1 1 317.385 3.175 20 10 DGCDMO COc1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000769119818 622500081 /nfs/dbraw/zinc/50/00/81/622500081.db2.gz DRWQLYKVYJDVFF-UHFFFAOYSA-N 1 1 314.404 3.459 20 10 DGCDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000769119818 622500083 /nfs/dbraw/zinc/50/00/83/622500083.db2.gz DRWQLYKVYJDVFF-UHFFFAOYSA-N 1 1 314.404 3.459 20 10 DGCDMO COc1cccc(O)c1C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000769146243 622502120 /nfs/dbraw/zinc/50/21/20/622502120.db2.gz GMUHLERJVOXHQR-HNNXBMFYSA-N 1 1 305.399 3.036 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000769146243 622502121 /nfs/dbraw/zinc/50/21/21/622502121.db2.gz GMUHLERJVOXHQR-HNNXBMFYSA-N 1 1 305.399 3.036 20 10 DGCDMO Oc1cccc(Cl)c1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000769209707 622508039 /nfs/dbraw/zinc/50/80/39/622508039.db2.gz SUXMSBYMMFSWOH-UHFFFAOYSA-N 1 1 308.853 3.496 20 10 DGCDMO CN1CC[N@@H+](Cc2cc(Cl)ccc2O)Cc2ccccc21 ZINC000769320129 622517225 /nfs/dbraw/zinc/51/72/25/622517225.db2.gz IYBSZFBSLVWVGP-UHFFFAOYSA-N 1 1 302.805 3.498 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](CCCO)Cc2ccccc2)cc1F ZINC000769325725 622517527 /nfs/dbraw/zinc/51/75/27/622517527.db2.gz AAASIADKORYGJC-UHFFFAOYSA-N 1 1 316.420 3.276 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000769397260 622524252 /nfs/dbraw/zinc/52/42/52/622524252.db2.gz OFOSGEMQMHHQQM-CQSZACIVSA-N 1 1 320.433 3.142 20 10 DGCDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769469632 622530734 /nfs/dbraw/zinc/53/07/34/622530734.db2.gz BWQKSDHFBSWOHL-GOEBONIOSA-N 1 1 307.457 3.196 20 10 DGCDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769469632 622530746 /nfs/dbraw/zinc/53/07/46/622530746.db2.gz BWQKSDHFBSWOHL-GOEBONIOSA-N 1 1 307.457 3.196 20 10 DGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769469632 622530747 /nfs/dbraw/zinc/53/07/47/622530747.db2.gz BWQKSDHFBSWOHL-GOEBONIOSA-N 1 1 307.457 3.196 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2C[C@H](OCC)C2(C)C)c1 ZINC000769473135 622531484 /nfs/dbraw/zinc/53/14/84/622531484.db2.gz LGXBWMNMTFAVAM-SJORKVTESA-N 1 1 307.434 3.426 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2CC(=O)OC)cc1 ZINC000769481487 622532366 /nfs/dbraw/zinc/53/23/66/622532366.db2.gz BERHQZWQBHKWLY-KRWDZBQOSA-N 1 1 304.434 3.060 20 10 DGCDMO CN1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C(C)(C)C1=O ZINC000769483423 622532439 /nfs/dbraw/zinc/53/24/39/622532439.db2.gz NBMBTHQNMATWHG-UHFFFAOYSA-N 1 1 324.424 3.112 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1C ZINC000769497249 622533972 /nfs/dbraw/zinc/53/39/72/622533972.db2.gz BCMTVDBBKRYIRI-OAHLLOKOSA-N 1 1 305.418 3.315 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@H](N(C)Cc3ccccc3)C2)c1 ZINC000769499894 622534350 /nfs/dbraw/zinc/53/43/50/622534350.db2.gz SJSZLOGKUAZNEI-IBGZPJMESA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1ccc(O)c(CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000769499894 622534354 /nfs/dbraw/zinc/53/43/54/622534354.db2.gz SJSZLOGKUAZNEI-IBGZPJMESA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1ccc(O)c(CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000769499894 622534355 /nfs/dbraw/zinc/53/43/55/622534355.db2.gz SJSZLOGKUAZNEI-IBGZPJMESA-N 1 1 310.441 3.407 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)c1 ZINC000769504321 622535156 /nfs/dbraw/zinc/53/51/56/622535156.db2.gz UABWLEHFCOQJRW-UHFFFAOYSA-N 1 1 323.433 3.343 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)c1 ZINC000769504321 622535158 /nfs/dbraw/zinc/53/51/58/622535158.db2.gz UABWLEHFCOQJRW-UHFFFAOYSA-N 1 1 323.433 3.343 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCN(C)CC23CCCCC3)c(O)c1 ZINC000769548139 622539541 /nfs/dbraw/zinc/53/95/41/622539541.db2.gz FXRNWVHGBFTMMS-UHFFFAOYSA-N 1 1 318.461 3.241 20 10 DGCDMO CCOc1ccc(CN2CC[N@H+](C)CC23CCCCC3)c(O)c1 ZINC000769548139 622539543 /nfs/dbraw/zinc/53/95/43/622539543.db2.gz FXRNWVHGBFTMMS-UHFFFAOYSA-N 1 1 318.461 3.241 20 10 DGCDMO CCOc1ccc(CN2CC[N@@H+](C)CC23CCCCC3)c(O)c1 ZINC000769548139 622539545 /nfs/dbraw/zinc/53/95/45/622539545.db2.gz FXRNWVHGBFTMMS-UHFFFAOYSA-N 1 1 318.461 3.241 20 10 DGCDMO O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871204420 622568056 /nfs/dbraw/zinc/56/80/56/622568056.db2.gz IQAYDOFDMMIZPY-KRWDZBQOSA-N 1 1 314.429 3.032 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)cc1F ZINC000770292661 622618623 /nfs/dbraw/zinc/61/86/23/622618623.db2.gz NWZRPDGJWHXJIU-MAUKXSAKSA-N 1 1 308.441 3.265 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000770319738 622620871 /nfs/dbraw/zinc/62/08/71/622620871.db2.gz BGCYEBNKSIWDPJ-XJKSGUPXSA-N 1 1 317.385 3.082 20 10 DGCDMO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3ncc(C)o3)CC2)cc1 ZINC000771441786 622759510 /nfs/dbraw/zinc/75/95/10/622759510.db2.gz FSAHBPQTDSQBCR-HNNXBMFYSA-N 1 1 315.417 3.265 20 10 DGCDMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3ncc(C)o3)CC2)cc1 ZINC000771441786 622759512 /nfs/dbraw/zinc/75/95/12/622759512.db2.gz FSAHBPQTDSQBCR-HNNXBMFYSA-N 1 1 315.417 3.265 20 10 DGCDMO Cc1ccc([C@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000771824182 622799626 /nfs/dbraw/zinc/79/96/26/622799626.db2.gz TZZJMHCGFRJPEH-INIZCTEOSA-N 1 1 313.445 3.191 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C3(c4ccccc4)CC3)cc2)CC1 ZINC000771848361 622803950 /nfs/dbraw/zinc/80/39/50/622803950.db2.gz QHIUWPGNRLWKPU-UHFFFAOYSA-N 1 1 321.468 3.217 20 10 DGCDMO CCn1nc(C)c(C[N@@H+](C)Cc2cc(C)cc(C)c2O)c1C ZINC000872632121 622945316 /nfs/dbraw/zinc/94/53/16/622945316.db2.gz FUEJRYOFGXIDHN-UHFFFAOYSA-N 1 1 301.434 3.474 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H](C(C)=O)C3)c2c1 ZINC000872801133 622981113 /nfs/dbraw/zinc/98/11/13/622981113.db2.gz WFYDPDBSMSEDQV-HNNXBMFYSA-N 1 1 313.397 3.355 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773128170 622988999 /nfs/dbraw/zinc/98/89/99/622988999.db2.gz BGBNFLNUVYTRDJ-CQSZACIVSA-N 1 1 316.424 3.400 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(O)cc1C ZINC000773256549 623005404 /nfs/dbraw/zinc/00/54/04/623005404.db2.gz CIZOXLAGUOJLKO-JKSUJKDBSA-N 1 1 319.445 3.348 20 10 DGCDMO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773732843 623064532 /nfs/dbraw/zinc/06/45/32/623064532.db2.gz UEYFFPZSJZGFPM-QGZVFWFLSA-N 1 1 304.434 3.060 20 10 DGCDMO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773732843 623064539 /nfs/dbraw/zinc/06/45/39/623064539.db2.gz UEYFFPZSJZGFPM-QGZVFWFLSA-N 1 1 304.434 3.060 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000773811170 623073804 /nfs/dbraw/zinc/07/38/04/623073804.db2.gz WWOGFCBDMXVSPC-MSOLQXFVSA-N 1 1 302.462 3.391 20 10 DGCDMO CCN(CC)C(=O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774142069 623112139 /nfs/dbraw/zinc/11/21/39/623112139.db2.gz XOMFUYSUUKGWFV-SECBINFHSA-N 1 1 319.232 3.218 20 10 DGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)OC2CC2)C1 ZINC000774244528 623124468 /nfs/dbraw/zinc/12/44/68/623124468.db2.gz PPWFFJDWDLHNIX-UHFFFAOYSA-N 1 1 312.413 3.113 20 10 DGCDMO CCC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000774869207 623202243 /nfs/dbraw/zinc/20/22/43/623202243.db2.gz JIRHMQGMTMQLTG-UHFFFAOYSA-N 1 1 308.378 3.321 20 10 DGCDMO COc1c(O)c(C[N@H+](C)C[C@@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000775061106 623223647 /nfs/dbraw/zinc/22/36/47/623223647.db2.gz SATCUMCWIQNKEO-GFCCVEGCSA-N 1 1 306.362 3.097 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)C[C@@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000775061106 623223649 /nfs/dbraw/zinc/22/36/49/623223649.db2.gz SATCUMCWIQNKEO-GFCCVEGCSA-N 1 1 306.362 3.097 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000775059033 623223835 /nfs/dbraw/zinc/22/38/35/623223835.db2.gz HIUFGHFKWORFNK-NTZNESFSSA-N 1 1 308.378 3.223 20 10 DGCDMO CCC[C@@]1(CO)CCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000775178905 623238654 /nfs/dbraw/zinc/23/86/54/623238654.db2.gz WQXZPUIBPWXANL-HNNXBMFYSA-N 1 1 301.789 3.312 20 10 DGCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000775178905 623238656 /nfs/dbraw/zinc/23/86/56/623238656.db2.gz WQXZPUIBPWXANL-HNNXBMFYSA-N 1 1 301.789 3.312 20 10 DGCDMO COCC[N@@H+](Cc1cccs1)Cc1cc(OC)ccc1O ZINC000775644994 623302360 /nfs/dbraw/zinc/30/23/60/623302360.db2.gz ZSRVJIADGUUWMY-UHFFFAOYSA-N 1 1 307.415 3.111 20 10 DGCDMO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000775647281 623303493 /nfs/dbraw/zinc/30/34/93/623303493.db2.gz QZFGBZIRZROHJS-LJQANCHMSA-N 1 1 303.494 3.447 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(C(C)C)C2)cc1 ZINC000775647281 623303497 /nfs/dbraw/zinc/30/34/97/623303497.db2.gz QZFGBZIRZROHJS-LJQANCHMSA-N 1 1 303.494 3.447 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCN(C(C)C)C2)cc1 ZINC000775647281 623303503 /nfs/dbraw/zinc/30/35/03/623303503.db2.gz QZFGBZIRZROHJS-LJQANCHMSA-N 1 1 303.494 3.447 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000775660244 623307132 /nfs/dbraw/zinc/30/71/32/623307132.db2.gz BAGCJBDZDROWFW-QUCCMNQESA-N 1 1 313.489 3.203 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000775660244 623307139 /nfs/dbraw/zinc/30/71/39/623307139.db2.gz BAGCJBDZDROWFW-QUCCMNQESA-N 1 1 313.489 3.203 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1O ZINC000775674446 623311235 /nfs/dbraw/zinc/31/12/35/623311235.db2.gz BNIUGWOYWNFKPY-OAHLLOKOSA-N 1 1 305.809 3.388 20 10 DGCDMO C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775717052 623318473 /nfs/dbraw/zinc/31/84/73/623318473.db2.gz QKLGDDRDWJNDTD-AWEZNQCLSA-N 1 1 314.832 3.491 20 10 DGCDMO C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775717052 623318478 /nfs/dbraw/zinc/31/84/78/623318478.db2.gz QKLGDDRDWJNDTD-AWEZNQCLSA-N 1 1 314.832 3.491 20 10 DGCDMO C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775717052 623318480 /nfs/dbraw/zinc/31/84/80/623318480.db2.gz QKLGDDRDWJNDTD-AWEZNQCLSA-N 1 1 314.832 3.491 20 10 DGCDMO C[C@H]1CCCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000775996640 623362747 /nfs/dbraw/zinc/36/27/47/623362747.db2.gz LGXYXBSGZKOPPL-HNNXBMFYSA-N 1 1 306.425 3.284 20 10 DGCDMO COc1cc2c(cc1F)C[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000777441079 623525975 /nfs/dbraw/zinc/52/59/75/623525975.db2.gz WGBRIGBDJBLKQO-UHFFFAOYSA-N 1 1 314.404 3.459 20 10 DGCDMO COc1cc2c(cc1F)C[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000777441079 623525980 /nfs/dbraw/zinc/52/59/80/623525980.db2.gz WGBRIGBDJBLKQO-UHFFFAOYSA-N 1 1 314.404 3.459 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2c(C)cccc2O)cc1OC ZINC000876534318 623636178 /nfs/dbraw/zinc/63/61/78/623636178.db2.gz BGBOSLOUSPHEPJ-UHFFFAOYSA-N 1 1 301.386 3.350 20 10 DGCDMO CC[C@@H](C)[C@H](C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000876551286 623641905 /nfs/dbraw/zinc/64/19/05/623641905.db2.gz OLWFFJGUMGYYLU-APWZRJJASA-N 1 1 320.477 3.016 20 10 DGCDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876597116 623655930 /nfs/dbraw/zinc/65/59/30/623655930.db2.gz GJBFSPBEGZJHDM-HNNXBMFYSA-N 1 1 314.473 3.411 20 10 DGCDMO CC(C)C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876599287 623656374 /nfs/dbraw/zinc/65/63/74/623656374.db2.gz WZSPVCYVYYMPJN-UHFFFAOYSA-N 1 1 302.462 3.268 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000876638029 623666609 /nfs/dbraw/zinc/66/66/09/623666609.db2.gz ABQQTDCBXWONEF-FXAWDEMLSA-N 1 1 314.473 3.412 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@H]4CCC[C@H]43)cc2)CC1 ZINC000876638032 623666631 /nfs/dbraw/zinc/66/66/31/623666631.db2.gz ABQQTDCBXWONEF-YLJYHZDGSA-N 1 1 314.473 3.412 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@H]3C3CCC3)cc2)CC1 ZINC000876659625 623673281 /nfs/dbraw/zinc/67/32/81/623673281.db2.gz CHDQSPZLGUSUBY-FQEVSTJZSA-N 1 1 314.473 3.412 20 10 DGCDMO COc1cccc([C@H]2C[N@@H+](Cc3c(C)cccc3O)CCO2)c1 ZINC000876688968 623683099 /nfs/dbraw/zinc/68/30/99/623683099.db2.gz QWMNWFVAEYWSJR-LJQANCHMSA-N 1 1 313.397 3.283 20 10 DGCDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876748067 623695594 /nfs/dbraw/zinc/69/55/94/623695594.db2.gz ULGVRTPLDXSCOZ-NVXWUHKLSA-N 1 1 302.462 3.268 20 10 DGCDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000876814311 623714777 /nfs/dbraw/zinc/71/47/77/623714777.db2.gz LOAMWJAVLLUPBT-HNNXBMFYSA-N 1 1 305.418 3.256 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](CC)C[C@@H](O)C(F)(F)F)cc1 ZINC000779193418 623740832 /nfs/dbraw/zinc/74/08/32/623740832.db2.gz QTEDGFMSAIPLAM-OAHLLOKOSA-N 1 1 318.383 3.278 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1F ZINC000779432107 623769596 /nfs/dbraw/zinc/76/95/96/623769596.db2.gz KOWPMHVDHRIWMS-PBHICJAKSA-N 1 1 308.441 3.121 20 10 DGCDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877175043 623818215 /nfs/dbraw/zinc/81/82/15/623818215.db2.gz XFOIXEQUCBVPJL-AWEZNQCLSA-N 1 1 305.418 3.112 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1(C)CCCC1 ZINC000877483643 623905308 /nfs/dbraw/zinc/90/53/08/623905308.db2.gz ZAIVWPCRLDWERO-UHFFFAOYSA-N 1 1 302.462 3.412 20 10 DGCDMO CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(C)cc1O ZINC000877528576 623925296 /nfs/dbraw/zinc/92/52/96/623925296.db2.gz DWLUPXXJEZSFHD-UHFFFAOYSA-N 1 1 301.434 3.372 20 10 DGCDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531448 623927657 /nfs/dbraw/zinc/92/76/57/623927657.db2.gz MXCZQNMJGQPGOF-WBVHZDCISA-N 1 1 302.462 3.411 20 10 DGCDMO Cc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)c(O)c1 ZINC000877549941 623936890 /nfs/dbraw/zinc/93/68/90/623936890.db2.gz SIMVQJMXQCNMEE-JTQLQIEISA-N 1 1 322.206 3.104 20 10 DGCDMO OC1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC000877566290 623945145 /nfs/dbraw/zinc/94/51/45/623945145.db2.gz GFAFNKCOJJNTQF-HDICACEKSA-N 1 1 314.473 3.270 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000877571436 623947057 /nfs/dbraw/zinc/94/70/57/623947057.db2.gz ZCCIQHUTBOJQEQ-KRWDZBQOSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000877571436 623947063 /nfs/dbraw/zinc/94/70/63/623947063.db2.gz ZCCIQHUTBOJQEQ-KRWDZBQOSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)cc1C ZINC000877645384 623976218 /nfs/dbraw/zinc/97/62/18/623976218.db2.gz JUUARZYOEUKNEW-GOSISDBHSA-N 1 1 312.413 3.195 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000877674907 623988169 /nfs/dbraw/zinc/98/81/69/623988169.db2.gz WSABHBQKQNHTOD-UXHICEINSA-N 1 1 310.441 3.451 20 10 DGCDMO CCCOc1ccc(C[NH2+]Cc2cc(C(=O)OC)co2)cc1C ZINC000877699686 623996118 /nfs/dbraw/zinc/99/61/18/623996118.db2.gz BQPWHXWAUYXRPC-UHFFFAOYSA-N 1 1 317.385 3.453 20 10 DGCDMO C[C@@H]1CN(c2ccccc2C[N@H+]2Cc3cccc(O)c3C2)CCO1 ZINC000877703213 623998749 /nfs/dbraw/zinc/99/87/49/623998749.db2.gz WJWNFQJXUNJYDX-OAHLLOKOSA-N 1 1 324.424 3.133 20 10 DGCDMO CCc1cccc(C[N@H+]2CCCN(C(=O)CC(C)C)CC2)c1O ZINC000877773138 624031649 /nfs/dbraw/zinc/03/16/49/624031649.db2.gz GNQYKNAWSBZXQZ-UHFFFAOYSA-N 1 1 318.461 3.035 20 10 DGCDMO CCC[C@@](C)(CO)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000781631407 624109941 /nfs/dbraw/zinc/10/99/41/624109941.db2.gz JQSLDCUDKKYAGU-AWEZNQCLSA-N 1 1 316.239 3.104 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)CCN2CCCCC2)cc1 ZINC000781625527 624110163 /nfs/dbraw/zinc/11/01/63/624110163.db2.gz BHSJBPMFFAXRKB-UHFFFAOYSA-N 1 1 303.494 3.451 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCN2CCCCC2)cc1 ZINC000781625527 624110166 /nfs/dbraw/zinc/11/01/66/624110166.db2.gz BHSJBPMFFAXRKB-UHFFFAOYSA-N 1 1 303.494 3.451 20 10 DGCDMO Cc1cc(Br)c([O-])c(C[N@H+](C[C@@H](C)O)C(C)C)c1 ZINC000781912765 624170686 /nfs/dbraw/zinc/17/06/86/624170686.db2.gz QLLXQKWLYWGXAZ-LLVKDONJSA-N 1 1 316.239 3.054 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C[C@@H](C)O)C(C)C)c1 ZINC000781912765 624170690 /nfs/dbraw/zinc/17/06/90/624170690.db2.gz QLLXQKWLYWGXAZ-LLVKDONJSA-N 1 1 316.239 3.054 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+](C[C@@H](C)O)C(C)C)c1 ZINC000781912765 624170694 /nfs/dbraw/zinc/17/06/94/624170694.db2.gz QLLXQKWLYWGXAZ-LLVKDONJSA-N 1 1 316.239 3.054 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1nnnn1C1CCCCC1 ZINC000879650449 624624227 /nfs/dbraw/zinc/62/42/27/624624227.db2.gz ALHNYWBWHKSHDM-QWHCGFSZSA-N 1 1 315.421 3.296 20 10 DGCDMO C[N@H+]1CCC[C@@H]1CCN(Cc1ccco1)Cc1ccccc1O ZINC000128379268 624937351 /nfs/dbraw/zinc/93/73/51/624937351.db2.gz IYRJCENYOGDHKR-QGZVFWFLSA-N 1 1 314.429 3.472 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000128471391 624969024 /nfs/dbraw/zinc/96/90/24/624969024.db2.gz DMLBVXQQEWIIET-HNNXBMFYSA-N 1 1 320.433 3.142 20 10 DGCDMO CC(C)[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccnn1C ZINC000788258783 625105413 /nfs/dbraw/zinc/10/54/13/625105413.db2.gz IWXVWLPOVCYDNC-FZMZJTMJSA-N 1 1 323.387 3.494 20 10 DGCDMO CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccnn1C ZINC000788258791 625108279 /nfs/dbraw/zinc/10/82/79/625108279.db2.gz IWXVWLPOVCYDNC-SMDDNHRTSA-N 1 1 323.387 3.494 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCCOC1)c1cccc(C(F)(F)F)c1O ZINC000788777026 625264179 /nfs/dbraw/zinc/26/41/79/625264179.db2.gz RVBSYBJTGSJRGF-WDEREUQCSA-N 1 1 303.324 3.488 20 10 DGCDMO C[C@@H]([NH2+]CC1(C)OCCCO1)c1cccc(C(F)(F)F)c1O ZINC000788783731 625264590 /nfs/dbraw/zinc/26/45/90/625264590.db2.gz NVMVHACNPJQCRQ-SNVBAGLBSA-N 1 1 319.323 3.215 20 10 DGCDMO Cc1cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)n(C)n1 ZINC000788815519 625274119 /nfs/dbraw/zinc/27/41/19/625274119.db2.gz CJIIDFNBRGUZII-SNVBAGLBSA-N 1 1 313.323 3.304 20 10 DGCDMO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790966286 625724546 /nfs/dbraw/zinc/72/45/46/625724546.db2.gz HYBBFXVZASLFKH-CYBMUJFWSA-N 1 1 321.783 3.450 20 10 DGCDMO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790966409 625724563 /nfs/dbraw/zinc/72/45/63/625724563.db2.gz OJGXXLPPQSDWMW-ABAIWWIYSA-N 1 1 323.795 3.439 20 10 DGCDMO CCOC(CC[NH2+]Cc1c(O)ccc(Cl)c1F)OCC ZINC000790990909 625732215 /nfs/dbraw/zinc/73/22/15/625732215.db2.gz HBOAGAZIKIWKAE-UHFFFAOYSA-N 1 1 305.777 3.064 20 10 DGCDMO C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882892249 625848814 /nfs/dbraw/zinc/84/88/14/625848814.db2.gz RKNJSRVAOGVIMD-ZDUSSCGKSA-N 1 1 312.404 3.415 20 10 DGCDMO COc1ccc(OC)c(CC[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882932012 625864769 /nfs/dbraw/zinc/86/47/69/625864769.db2.gz XZDBFAGUIVFZKT-UHFFFAOYSA-N 1 1 323.339 3.020 20 10 DGCDMO COc1ccc(CC[NH2+]Cc2cc(F)cc(F)c2O)cc1F ZINC000882970427 625878893 /nfs/dbraw/zinc/87/88/93/625878893.db2.gz CEZPYSHPSQYEDX-UHFFFAOYSA-N 1 1 311.303 3.150 20 10 DGCDMO CCC[N@@H+](CC(=O)N(C(C)C)C(C)C)Cc1ccccc1O ZINC000130728576 625896788 /nfs/dbraw/zinc/89/67/88/625896788.db2.gz OQJZYAYVCTVLMG-UHFFFAOYSA-N 1 1 306.450 3.250 20 10 DGCDMO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883027921 625902038 /nfs/dbraw/zinc/90/20/38/625902038.db2.gz UGJJGIUQHSWRJV-OAHLLOKOSA-N 1 1 307.340 3.018 20 10 DGCDMO Cc1cnc(=S)n(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000130816236 625907395 /nfs/dbraw/zinc/90/73/95/625907395.db2.gz QUCDJUJQISSHTQ-UHFFFAOYSA-N 1 1 302.447 3.077 20 10 DGCDMO Cc1cnc(=S)n(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000130816236 625907399 /nfs/dbraw/zinc/90/73/99/625907399.db2.gz QUCDJUJQISSHTQ-UHFFFAOYSA-N 1 1 302.447 3.077 20 10 DGCDMO CC(C)(C)[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1O ZINC000792174126 625919213 /nfs/dbraw/zinc/91/92/13/625919213.db2.gz LRHISUKEEXDZRQ-FZMZJTMJSA-N 1 1 315.816 3.414 20 10 DGCDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1O ZINC000792174126 625919216 /nfs/dbraw/zinc/91/92/16/625919216.db2.gz LRHISUKEEXDZRQ-FZMZJTMJSA-N 1 1 315.816 3.414 20 10 DGCDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1O ZINC000792174125 625919271 /nfs/dbraw/zinc/91/92/71/625919271.db2.gz LRHISUKEEXDZRQ-BXUZGUMPSA-N 1 1 315.816 3.414 20 10 DGCDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1O ZINC000792174125 625919274 /nfs/dbraw/zinc/91/92/74/625919274.db2.gz LRHISUKEEXDZRQ-BXUZGUMPSA-N 1 1 315.816 3.414 20 10 DGCDMO CCCCn1cc(C[NH2+]Cc2cc(F)cc(F)c2O)c(C)n1 ZINC000883081543 625919873 /nfs/dbraw/zinc/91/98/73/625919873.db2.gz HUWQGDZWJNZARZ-UHFFFAOYSA-N 1 1 309.360 3.265 20 10 DGCDMO COC[C@@H]1CCCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792175664 625920693 /nfs/dbraw/zinc/92/06/93/625920693.db2.gz XOKYGTNCZZDMPQ-LLVKDONJSA-N 1 1 301.789 3.433 20 10 DGCDMO COC[C@@H]1CCCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792175664 625920698 /nfs/dbraw/zinc/92/06/98/625920698.db2.gz XOKYGTNCZZDMPQ-LLVKDONJSA-N 1 1 301.789 3.433 20 10 DGCDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792180736 625921953 /nfs/dbraw/zinc/92/19/53/625921953.db2.gz STIBFZZSQQDHII-BREBYQMCSA-N 1 1 301.789 3.166 20 10 DGCDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792180736 625921956 /nfs/dbraw/zinc/92/19/56/625921956.db2.gz STIBFZZSQQDHII-BREBYQMCSA-N 1 1 301.789 3.166 20 10 DGCDMO CCOc1ccc(C[N@@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c(O)c1 ZINC000792192989 625923033 /nfs/dbraw/zinc/92/30/33/625923033.db2.gz PGBPNIHGGHHJQR-GDBMZVCRSA-N 1 1 307.434 3.428 20 10 DGCDMO CCC[N@@H+](CCC(=O)Nc1cccnc1)Cc1ccccc1O ZINC000792231031 625928731 /nfs/dbraw/zinc/92/87/31/625928731.db2.gz FFIGCARZSASTID-UHFFFAOYSA-N 1 1 313.401 3.028 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000883180430 625957284 /nfs/dbraw/zinc/95/72/84/625957284.db2.gz CJQASOLDAUMDJB-VNQPRFMTSA-N 1 1 305.299 3.237 20 10 DGCDMO C[C@H](NCc1ncc(C[NH+](C)C)s1)c1ccc(N(C)C)cc1 ZINC000796351076 626041375 /nfs/dbraw/zinc/04/13/75/626041375.db2.gz DUXCMCRKKYHGIO-ZDUSSCGKSA-N 1 1 318.490 3.122 20 10 DGCDMO CN1CCCc2cc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@H]43)ccc21 ZINC000796726885 626076607 /nfs/dbraw/zinc/07/66/07/626076607.db2.gz GIUFSKXTQIACGC-NSHGMRRFSA-N 1 1 313.489 3.031 20 10 DGCDMO CC[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(F)cc1O ZINC000796841338 626088716 /nfs/dbraw/zinc/08/87/16/626088716.db2.gz SDYRSYRVOVXJRB-HKUYNNGSSA-N 1 1 315.388 3.406 20 10 DGCDMO CC[C@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(F)cc1O ZINC000796855890 626090718 /nfs/dbraw/zinc/09/07/18/626090718.db2.gz RPJFTIRPXMUOJA-KRWDZBQOSA-N 1 1 303.377 3.307 20 10 DGCDMO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000798089384 626193435 /nfs/dbraw/zinc/19/34/35/626193435.db2.gz TUSQLBMGXXKRFP-ZJUUUORDSA-N 1 1 315.772 3.006 20 10 DGCDMO C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000798957490 626262385 /nfs/dbraw/zinc/26/23/85/626262385.db2.gz BSDWDDOYLFPDGG-UHFFFAOYSA-N 1 1 300.805 3.102 20 10 DGCDMO Cc1ccncc1N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000798962335 626263232 /nfs/dbraw/zinc/26/32/32/626263232.db2.gz PJINTFNWJOHOSU-UHFFFAOYSA-N 1 1 317.820 3.071 20 10 DGCDMO C[NH+](C)Cc1cc(NC(=O)c2cccc(O)c2O)ccc1Cl ZINC000799057365 626268898 /nfs/dbraw/zinc/26/88/98/626268898.db2.gz PLNVNCIZTVDCTI-UHFFFAOYSA-N 1 1 320.776 3.065 20 10 DGCDMO COC(=O)CC1(C[N@@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000799302486 626286054 /nfs/dbraw/zinc/28/60/54/626286054.db2.gz MYBVXZKEGZUFAB-UHFFFAOYSA-N 1 1 317.429 3.480 20 10 DGCDMO CN(C)c1ccc(C[N@H+](C)Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000799729897 626325385 /nfs/dbraw/zinc/32/53/85/626325385.db2.gz ZFRSWVHMOAUXMJ-UHFFFAOYSA-N 1 1 312.339 3.127 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000799729897 626325386 /nfs/dbraw/zinc/32/53/86/626325386.db2.gz ZFRSWVHMOAUXMJ-UHFFFAOYSA-N 1 1 312.339 3.127 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2cnc(C(C)C)nc2)c1 ZINC000799737008 626326661 /nfs/dbraw/zinc/32/66/61/626326661.db2.gz QUXWGKNVBXXREW-UHFFFAOYSA-N 1 1 315.417 3.336 20 10 DGCDMO CC(C)COCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000800356773 626353597 /nfs/dbraw/zinc/35/35/97/626353597.db2.gz WQIUCQKYLNCCKO-QGZVFWFLSA-N 1 1 307.434 3.046 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CSC2(C)C)c1 ZINC000801735292 626416698 /nfs/dbraw/zinc/41/66/98/626416698.db2.gz JDTPXFVEBKWSLK-LLVKDONJSA-N 1 1 316.264 3.447 20 10 DGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1CCSC1=O ZINC000839971260 626564018 /nfs/dbraw/zinc/56/40/18/626564018.db2.gz YGLNGMNPJBGUFE-UHFFFAOYSA-N 1 1 307.463 3.089 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CN1CCSC1=O ZINC000839971260 626564021 /nfs/dbraw/zinc/56/40/21/626564021.db2.gz YGLNGMNPJBGUFE-UHFFFAOYSA-N 1 1 307.463 3.089 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H](C)c2ccsc2)ccc1[N+](=O)[O-] ZINC000802654212 626565366 /nfs/dbraw/zinc/56/53/66/626565366.db2.gz FFTZVCNCYRMSOL-VIFPVBQESA-N 1 1 308.359 3.221 20 10 DGCDMO Cc1cccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1O ZINC000802658388 626565878 /nfs/dbraw/zinc/56/58/78/626565878.db2.gz YFXJDABEMDPHKB-UHFFFAOYSA-N 1 1 300.358 3.283 20 10 DGCDMO Cc1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000883284054 626636430 /nfs/dbraw/zinc/63/64/30/626636430.db2.gz CTLLMOGIPFYOJC-UHFFFAOYSA-N 1 1 315.486 3.098 20 10 DGCDMO CCN1CC[C@@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000883355593 626658283 /nfs/dbraw/zinc/65/82/83/626658283.db2.gz UXVNSZUMAWGXGT-GHMZBOCLSA-N 1 1 302.340 3.156 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1C[C@@]3(CCCO3)[C@@H]1C1CC1)CCCC2 ZINC000840100473 626759950 /nfs/dbraw/zinc/75/99/50/626759950.db2.gz YSUJLUOIPGPDFD-PMACEKPBSA-N 1 1 313.441 3.414 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@](O)(C(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000840114687 626768939 /nfs/dbraw/zinc/76/89/39/626768939.db2.gz OBBUFIYDFMGMDW-KRWDZBQOSA-N 1 1 313.388 3.200 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)CCC2 ZINC000840117933 626770676 /nfs/dbraw/zinc/77/06/76/626770676.db2.gz CKBSOATVDBTAGZ-KZNAEPCWSA-N 1 1 301.430 3.006 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2ccccc2N(C)C)c(O)cc1C ZINC000808235719 626807789 /nfs/dbraw/zinc/80/77/89/626807789.db2.gz CWJXQEAYBRKOBL-UHFFFAOYSA-N 1 1 314.429 3.407 20 10 DGCDMO CCc1cc(C[N@@H+](C)CCOCCOC)c(O)c(C(C)(C)C)c1 ZINC000808237289 626808021 /nfs/dbraw/zinc/80/80/21/626808021.db2.gz JQQKJENQIHHXNC-UHFFFAOYSA-N 1 1 323.477 3.347 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)Cc1cc2c(cc1Cl)OCCO2 ZINC000808736127 626856173 /nfs/dbraw/zinc/85/61/73/626856173.db2.gz KNEPOKXZMKXAHJ-UHFFFAOYSA-N 1 1 319.788 3.449 20 10 DGCDMO CCC(CC)[N@@H+](CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000808782467 626860951 /nfs/dbraw/zinc/86/09/51/626860951.db2.gz UOXZAJMGRZTCOF-UHFFFAOYSA-N 1 1 319.493 3.222 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000884482805 626887721 /nfs/dbraw/zinc/88/77/21/626887721.db2.gz ICQCLRLLALRBJH-DYVFJYSZSA-N 1 1 319.445 3.396 20 10 DGCDMO Cn1ncc2c1CCC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000840174524 626911495 /nfs/dbraw/zinc/91/14/95/626911495.db2.gz BSOXAYNSSVQUQT-UHFFFAOYSA-N 1 1 307.397 3.227 20 10 DGCDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000840182810 626929716 /nfs/dbraw/zinc/92/97/16/626929716.db2.gz AHQXIOOWTSAOBA-LJQANCHMSA-N 1 1 313.397 3.321 20 10 DGCDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809651838 626932473 /nfs/dbraw/zinc/93/24/73/626932473.db2.gz BFWLDROJCNYQGU-OXQOHEQNSA-N 1 1 322.452 3.204 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000809693014 626937333 /nfs/dbraw/zinc/93/73/33/626937333.db2.gz LWUGIBXFNIDULH-AWEZNQCLSA-N 1 1 316.367 3.382 20 10 DGCDMO OC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1C(F)(F)F ZINC000809697885 626938313 /nfs/dbraw/zinc/93/83/13/626938313.db2.gz QYTDQXLUGSSBAT-PWSUYJOCSA-N 1 1 323.742 3.038 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCC3(CC(OCC)C3)C2)c(O)c1 ZINC000809707922 626939343 /nfs/dbraw/zinc/93/93/43/626939343.db2.gz SFURPEBVXURQMU-UHFFFAOYSA-N 1 1 305.418 3.182 20 10 DGCDMO Oc1ccc2c(c1)OCC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000809704624 626939433 /nfs/dbraw/zinc/93/94/33/626939433.db2.gz DGIBRSPCLDMPNO-UHFFFAOYSA-N 1 1 305.761 3.146 20 10 DGCDMO Oc1ccc2c(c1)OCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000809704624 626939435 /nfs/dbraw/zinc/93/94/35/626939435.db2.gz DGIBRSPCLDMPNO-UHFFFAOYSA-N 1 1 305.761 3.146 20 10 DGCDMO Cc1cccc(C[N@H+](CCN(C)C)Cc2cccc(F)c2)c1O ZINC000809737695 626944169 /nfs/dbraw/zinc/94/41/69/626944169.db2.gz LFZGKELHPMQMOO-UHFFFAOYSA-N 1 1 316.420 3.404 20 10 DGCDMO Cc1cccc(C[N@@H+](CCN(C)C)Cc2cccc(F)c2)c1O ZINC000809737695 626944171 /nfs/dbraw/zinc/94/41/71/626944171.db2.gz LFZGKELHPMQMOO-UHFFFAOYSA-N 1 1 316.420 3.404 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCCn2ccnc2)cc1F ZINC000809752344 626946435 /nfs/dbraw/zinc/94/64/35/626946435.db2.gz BEIHAKJZKNDVIE-UHFFFAOYSA-N 1 1 318.440 3.391 20 10 DGCDMO CCCC[N@@H+](CCCO)Cc1cc(Br)ccc1O ZINC000809751806 626946601 /nfs/dbraw/zinc/94/66/01/626946601.db2.gz KCIIEIVJKZPHML-UHFFFAOYSA-N 1 1 316.239 3.139 20 10 DGCDMO Oc1ccccc1C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000809767274 626949003 /nfs/dbraw/zinc/94/90/03/626949003.db2.gz IGEDZAPEOSWXKV-MRXNPFEDSA-N 1 1 307.397 3.407 20 10 DGCDMO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809768607 626950509 /nfs/dbraw/zinc/95/05/09/626950509.db2.gz QCIQLRMUEAZOCL-WMZOPIPTSA-N 1 1 301.478 3.201 20 10 DGCDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809768607 626950511 /nfs/dbraw/zinc/95/05/11/626950511.db2.gz QCIQLRMUEAZOCL-WMZOPIPTSA-N 1 1 301.478 3.201 20 10 DGCDMO CCC[N@H+](CCN1CCCCCC1)Cc1cccc(OC)c1O ZINC000809787421 626953008 /nfs/dbraw/zinc/95/30/08/626953008.db2.gz CMMPVQFIACJHQJ-UHFFFAOYSA-N 1 1 320.477 3.489 20 10 DGCDMO CCC[N@@H+](CCN1CCCCCC1)Cc1cccc(OC)c1O ZINC000809787421 626953009 /nfs/dbraw/zinc/95/30/09/626953009.db2.gz CMMPVQFIACJHQJ-UHFFFAOYSA-N 1 1 320.477 3.489 20 10 DGCDMO CC(C)[N@H+](Cc1c(O)ccc2ccccc21)C[C@H]1CCC(=O)N1 ZINC000840187706 626958851 /nfs/dbraw/zinc/95/88/51/626958851.db2.gz WNMTYXCTONPHDF-OAHLLOKOSA-N 1 1 312.413 3.034 20 10 DGCDMO CCCC[C@H](C)[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000810124944 626978310 /nfs/dbraw/zinc/97/83/10/626978310.db2.gz LHCXKPSVHIBLBY-INIZCTEOSA-N 1 1 319.493 3.222 20 10 DGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)c1O ZINC000810252774 626993208 /nfs/dbraw/zinc/99/32/08/626993208.db2.gz JAGDGZACBXOBJP-CMPLNLGQSA-N 1 1 305.809 3.285 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@](C)(O)C(F)F ZINC000885940543 627065480 /nfs/dbraw/zinc/06/54/80/627065480.db2.gz MAZIUVFKHZZODO-KRWDZBQOSA-N 1 1 312.404 3.125 20 10 DGCDMO CCOCc1cc(C[NH2+]Cc2cc(C3CC3)no2)ccc1OC ZINC000886272514 627128712 /nfs/dbraw/zinc/12/87/12/627128712.db2.gz RHLOVDQAFQCQNJ-UHFFFAOYSA-N 1 1 316.401 3.387 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1c(O)cccc1F ZINC000886500369 627153674 /nfs/dbraw/zinc/15/36/74/627153674.db2.gz SFUVXSIAMCOOEL-CYBMUJFWSA-N 1 1 315.392 3.377 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1c(O)cccc1F ZINC000886506204 627153889 /nfs/dbraw/zinc/15/38/89/627153889.db2.gz GWLWJIHJLSOFNY-MNOVXSKESA-N 1 1 320.330 3.066 20 10 DGCDMO COCCOc1ccc(C[NH2+][C@H](C)c2c(O)cccc2F)cc1 ZINC000886502568 627153929 /nfs/dbraw/zinc/15/39/29/627153929.db2.gz DJKIJHDVWQWMAW-CYBMUJFWSA-N 1 1 319.376 3.407 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1c(O)cccc1F ZINC000886511154 627155274 /nfs/dbraw/zinc/15/52/74/627155274.db2.gz KMVXUTSMDLXVRP-OCCSQVGLSA-N 1 1 321.367 3.172 20 10 DGCDMO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@H](C)c1c(O)cccc1F ZINC000886528152 627157234 /nfs/dbraw/zinc/15/72/34/627157234.db2.gz HVPIGANRSQYFAW-QMTHXVAHSA-N 1 1 301.365 3.358 20 10 DGCDMO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2c(O)cccc2F)cc1 ZINC000886543495 627160338 /nfs/dbraw/zinc/16/03/38/627160338.db2.gz PSIXCZJEJUFXLB-WBMJQRKESA-N 1 1 319.376 3.314 20 10 DGCDMO COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886587936 627168203 /nfs/dbraw/zinc/16/82/03/627168203.db2.gz IMETYTWDLLCPTI-QWHCGFSZSA-N 1 1 307.365 3.423 20 10 DGCDMO CC(C)(CO)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000811518607 627286973 /nfs/dbraw/zinc/28/69/73/627286973.db2.gz MLJUPHZDICCVBE-CQSZACIVSA-N 1 1 301.789 3.071 20 10 DGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)CCC3)[C@H]1[C@H]1CCCO1 ZINC000811778263 627320510 /nfs/dbraw/zinc/32/05/10/627320510.db2.gz LDVMLJAVNVRNMM-MSOLQXFVSA-N 1 1 301.430 3.270 20 10 DGCDMO C[C@]12CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]1C2(F)F ZINC000814169631 627545764 /nfs/dbraw/zinc/54/57/64/627545764.db2.gz KZRFWRDGUICXDD-SJORKVTESA-N 1 1 322.399 3.000 20 10 DGCDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccccc1O ZINC000814178351 627546920 /nfs/dbraw/zinc/54/69/20/627546920.db2.gz MZDYZQBOQGIRAV-AWEZNQCLSA-N 1 1 300.377 3.242 20 10 DGCDMO CC[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000814299889 627557768 /nfs/dbraw/zinc/55/77/68/627557768.db2.gz DWVXWPBKJYRESC-UAPYVXQJSA-N 1 1 315.505 3.497 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](CCC3(OC)CCC3)CC2)cc1 ZINC000815022045 627617549 /nfs/dbraw/zinc/61/75/49/627617549.db2.gz LRMGYZIMIOFZNA-UHFFFAOYSA-N 1 1 318.461 3.167 20 10 DGCDMO Cc1cc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)ccc1N(C)C ZINC000815057380 627620207 /nfs/dbraw/zinc/62/02/07/627620207.db2.gz PSWIWEFVERQWDG-AWEZNQCLSA-N 1 1 306.450 3.223 20 10 DGCDMO Cc1cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)ccc1N(C)C ZINC000815057380 627620210 /nfs/dbraw/zinc/62/02/10/627620210.db2.gz PSWIWEFVERQWDG-AWEZNQCLSA-N 1 1 306.450 3.223 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CC=C(c3ccnn3C)CC2)cc1 ZINC000815116403 627629366 /nfs/dbraw/zinc/62/93/66/627629366.db2.gz LRFANTRWGXPNFA-UHFFFAOYSA-N 1 1 310.445 3.166 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(C(F)(F)F)c1O ZINC000815565882 627685512 /nfs/dbraw/zinc/68/55/12/627685512.db2.gz CLCKPBDKPBIRTR-QWRGUYRKSA-N 1 1 302.340 3.156 20 10 DGCDMO Cc1cc(C)c([C@H](C)[NH2+]Cc2n[nH]cc2Br)c(O)c1 ZINC000815581757 627687549 /nfs/dbraw/zinc/68/75/49/627687549.db2.gz OPLONDWBPVSJJG-JTQLQIEISA-N 1 1 324.222 3.345 20 10 DGCDMO CSC[C@H](CCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815582815 627687617 /nfs/dbraw/zinc/68/76/17/627687617.db2.gz PRTPLFXOPVXKEZ-UWVGGRQHSA-N 1 1 323.380 3.176 20 10 DGCDMO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)nn1 ZINC000924870226 627689152 /nfs/dbraw/zinc/68/91/52/627689152.db2.gz KFQAYYUZBLECRV-AWEZNQCLSA-N 1 1 313.449 3.092 20 10 DGCDMO COCC[C@@H](COC)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815628382 627692803 /nfs/dbraw/zinc/69/28/03/627692803.db2.gz YTFNWZYARAJNES-MNOVXSKESA-N 1 1 321.339 3.113 20 10 DGCDMO CN(C)c1ccc(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925512035 627744954 /nfs/dbraw/zinc/74/49/54/627744954.db2.gz YQVYUAMUFUTSMA-RBUKOAKNSA-N 1 1 301.478 3.011 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000816552174 627806215 /nfs/dbraw/zinc/80/62/15/627806215.db2.gz CRMUKARMCDEPDN-CYBMUJFWSA-N 1 1 301.770 3.069 20 10 DGCDMO OCC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCCCC1 ZINC000816555571 627806535 /nfs/dbraw/zinc/80/65/35/627806535.db2.gz JJFQXAYLDQOFFQ-UHFFFAOYSA-N 1 1 301.789 3.217 20 10 DGCDMO CN1Cc2ccccc2[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816559923 627807470 /nfs/dbraw/zinc/80/74/70/627807470.db2.gz YYZTYKHWODEDJG-MRXNPFEDSA-N 1 1 320.795 3.461 20 10 DGCDMO Cn1nc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c2ccccc21 ZINC000816569504 627810093 /nfs/dbraw/zinc/81/00/93/627810093.db2.gz OADXJLDFJWBTGS-UHFFFAOYSA-N 1 1 319.767 3.361 20 10 DGCDMO OCC[C@@H]1CCCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816603166 627813749 /nfs/dbraw/zinc/81/37/49/627813749.db2.gz AWKFNDGYBSADHW-LBPRGKRZSA-N 1 1 301.789 3.312 20 10 DGCDMO OCC[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816603166 627813750 /nfs/dbraw/zinc/81/37/50/627813750.db2.gz AWKFNDGYBSADHW-LBPRGKRZSA-N 1 1 301.789 3.312 20 10 DGCDMO C[N@@H+](Cc1c(O)ccc(Cl)c1F)C[C@H](O)Cc1ccccc1 ZINC000816624645 627816379 /nfs/dbraw/zinc/81/63/79/627816379.db2.gz BXCGQOFSONQMDH-CYBMUJFWSA-N 1 1 323.795 3.220 20 10 DGCDMO C[N@H+](Cc1c(O)ccc(Cl)c1F)C[C@H](O)Cc1ccccc1 ZINC000816624645 627816384 /nfs/dbraw/zinc/81/63/84/627816384.db2.gz BXCGQOFSONQMDH-CYBMUJFWSA-N 1 1 323.795 3.220 20 10 DGCDMO CC[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H](C)CO ZINC000816653617 627820825 /nfs/dbraw/zinc/82/08/25/627820825.db2.gz AZJHBPWYZBIXBQ-KRWDZBQOSA-N 1 1 324.468 3.452 20 10 DGCDMO CCC1(CC)CCN(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000817360338 627888381 /nfs/dbraw/zinc/88/83/81/627888381.db2.gz NMHMHUJQVOWAMM-UHFFFAOYSA-N 1 1 317.477 3.181 20 10 DGCDMO CCC1(CC)CCN(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1=O ZINC000817360338 627888384 /nfs/dbraw/zinc/88/83/84/627888384.db2.gz NMHMHUJQVOWAMM-UHFFFAOYSA-N 1 1 317.477 3.181 20 10 DGCDMO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2O)C1 ZINC000817415176 627896900 /nfs/dbraw/zinc/89/69/00/627896900.db2.gz TZLHNAHMRMEBQV-DZGCQCFKSA-N 1 1 305.418 3.192 20 10 DGCDMO C[C@@H](NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)C1C[NH2+]C1 ZINC000817932733 627966078 /nfs/dbraw/zinc/96/60/78/627966078.db2.gz XKSUHXQOGNIFPY-ZIAGYGMSSA-N 1 1 321.896 3.274 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000817938975 627967846 /nfs/dbraw/zinc/96/78/46/627967846.db2.gz WQVJFQPUHLHANZ-RTBURBONSA-N 1 1 313.420 3.169 20 10 DGCDMO CC[NH2+]CCC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000817943383 627970080 /nfs/dbraw/zinc/97/00/80/627970080.db2.gz MJBDORJLRXMUNA-CYBMUJFWSA-N 1 1 304.356 3.451 20 10 DGCDMO CC(C)[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817944143 627970108 /nfs/dbraw/zinc/97/01/08/627970108.db2.gz XOZWQGRAHZERDQ-OALUTQOASA-N 1 1 312.461 3.134 20 10 DGCDMO CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000817954157 627973235 /nfs/dbraw/zinc/97/32/35/627973235.db2.gz VLGLAGBZNOOHSW-NSHDSACASA-N 1 1 315.255 3.193 20 10 DGCDMO CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817955401 627973899 /nfs/dbraw/zinc/97/38/99/627973899.db2.gz XPOFPIHWZMRAGO-BXUZGUMPSA-N 1 1 316.367 3.451 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc(Br)ccc1[O-] ZINC000817969932 627978653 /nfs/dbraw/zinc/97/86/53/627978653.db2.gz IIRDXIYOESZZKS-DLOVCJGASA-N 1 1 313.239 3.075 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc(Br)ccc1[O-] ZINC000817969934 627979057 /nfs/dbraw/zinc/97/90/57/627979057.db2.gz IIRDXIYOESZZKS-WCQGTBRESA-N 1 1 313.239 3.075 20 10 DGCDMO C[C@@H](NCCC[NH2+]C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817983648 627983310 /nfs/dbraw/zinc/98/33/10/627983310.db2.gz HIAGZEWEUSQQFH-MRXNPFEDSA-N 1 1 301.478 3.470 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)ccc1[O-] ZINC000817985297 627983681 /nfs/dbraw/zinc/98/36/81/627983681.db2.gz BYIGQUJTXMWZDJ-NCZKRNLISA-N 1 1 308.853 3.474 20 10 DGCDMO C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc(F)cc1O ZINC000926966480 627990922 /nfs/dbraw/zinc/99/09/22/627990922.db2.gz ZXYQHCJTUFVALL-TVQRCGJNSA-N 1 1 308.319 3.065 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCCC1CCOCC1 ZINC000824477248 628664415 /nfs/dbraw/zinc/66/44/15/628664415.db2.gz OGNJGKQYQQMUFX-UHFFFAOYSA-N 1 1 301.789 3.481 20 10 DGCDMO Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000824636838 628679292 /nfs/dbraw/zinc/67/92/92/628679292.db2.gz UHQMZMYDOUEEAK-MJGOQNOKSA-N 1 1 315.388 3.001 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(O)c1 ZINC000824695984 628684519 /nfs/dbraw/zinc/68/45/19/628684519.db2.gz GAICKJIQYSVATA-KSZLIROESA-N 1 1 319.445 3.306 20 10 DGCDMO CC[C@@](C)(C[NH2+]Cc1cc(C)cc(Br)c1O)OC ZINC000824743809 628688957 /nfs/dbraw/zinc/68/89/57/628688957.db2.gz NQTQADVTETXTGH-AWEZNQCLSA-N 1 1 316.239 3.368 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)CC1(C)C ZINC000824820211 628697195 /nfs/dbraw/zinc/69/71/95/628697195.db2.gz BNQCTBSUTDALPC-CYBMUJFWSA-N 1 1 301.789 3.432 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1(C)C ZINC000824820211 628697204 /nfs/dbraw/zinc/69/72/04/628697204.db2.gz BNQCTBSUTDALPC-CYBMUJFWSA-N 1 1 301.789 3.432 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c1 ZINC000825104227 628728292 /nfs/dbraw/zinc/72/82/92/628728292.db2.gz RINBYMGHYWOTRW-SJORKVTESA-N 1 1 305.418 3.180 20 10 DGCDMO Oc1c(Br)cccc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000825172367 628735088 /nfs/dbraw/zinc/73/50/88/628735088.db2.gz QQUDBFPVTOOJLY-UHFFFAOYSA-N 1 1 323.190 3.310 20 10 DGCDMO CC(=O)NC1CCC([N@@H+](C)Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825497116 628768520 /nfs/dbraw/zinc/76/85/20/628768520.db2.gz CNBWPCQYIVGZAN-UHFFFAOYSA-N 1 1 324.852 3.233 20 10 DGCDMO COc1cc(C[N@H+]2CCC23CCOCC3)c(O)c(C(C)(C)C)c1 ZINC000825710762 628788493 /nfs/dbraw/zinc/78/84/93/628788493.db2.gz ZYRJQLQOCIODIC-UHFFFAOYSA-N 1 1 319.445 3.453 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000827196631 628935504 /nfs/dbraw/zinc/93/55/04/628935504.db2.gz MUMBVELFPCKWFC-RBUKOAKNSA-N 1 1 311.425 3.299 20 10 DGCDMO Cn1ncc(C2CC2)c1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000827250794 628941348 /nfs/dbraw/zinc/94/13/48/628941348.db2.gz AQRZIBICCRAUJS-UHFFFAOYSA-N 1 1 309.772 3.085 20 10 DGCDMO FCC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000827270810 628943647 /nfs/dbraw/zinc/94/36/47/628943647.db2.gz GNTCCDCFIZWQBJ-INIZCTEOSA-N 1 1 306.425 3.095 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)cc1Cl ZINC000827687055 628983046 /nfs/dbraw/zinc/98/30/46/628983046.db2.gz KETPHAPNNZXZAZ-ZDUSSCGKSA-N 1 1 324.852 3.091 20 10 DGCDMO CCc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1O ZINC000827785979 628991109 /nfs/dbraw/zinc/99/11/09/628991109.db2.gz FJNSVYYDUILESI-BXUZGUMPSA-N 1 1 317.351 3.496 20 10 DGCDMO CCc1cccc(C[N@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1O ZINC000827785979 628991112 /nfs/dbraw/zinc/99/11/12/628991112.db2.gz FJNSVYYDUILESI-BXUZGUMPSA-N 1 1 317.351 3.496 20 10 DGCDMO C[N@@H+](CC1=CCSC1)Cc1ccc(Br)cc1O ZINC000827812408 628993928 /nfs/dbraw/zinc/99/39/28/628993928.db2.gz MHGRZMCTEKDPSV-UHFFFAOYSA-N 1 1 314.248 3.260 20 10 DGCDMO C[C@H](O)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000827855459 628997531 /nfs/dbraw/zinc/99/75/31/628997531.db2.gz DIMBBWYAQSXKTH-QFYYESIMSA-N 1 1 309.768 3.396 20 10 DGCDMO COC[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000827872646 628999269 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CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000831165804 629345458 /nfs/dbraw/zinc/34/54/58/629345458.db2.gz NCFKTAATLTVXCS-QRVBRYPASA-N 1 1 302.462 3.268 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cccc(C(F)(F)F)c1O ZINC000834907200 629806178 /nfs/dbraw/zinc/80/61/78/629806178.db2.gz YLSPFBCGMAAMOA-OUJBWJOFSA-N 1 1 303.324 3.223 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000834910592 629806932 /nfs/dbraw/zinc/80/69/32/629806932.db2.gz ILFFLLZRTNIWRU-APPDUMDISA-N 1 1 303.402 3.408 20 10 DGCDMO CC[N@H+]1C[C@H](C)N(C/C=C/c2ccc(N(C)C)cc2)C[C@H]1C ZINC000835025884 629827326 /nfs/dbraw/zinc/82/73/26/629827326.db2.gz MLCWPEIXNLHALQ-PWHGLLLSSA-N 1 1 301.478 3.180 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000835029567 629829033 /nfs/dbraw/zinc/82/90/33/629829033.db2.gz RKSWMYYAVUROTM-GVKBTVHKSA-N 1 1 300.446 3.267 20 10 DGCDMO CC[C@@H](CNC/C=C/c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000835035929 629830692 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CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000835047334 629835823 /nfs/dbraw/zinc/83/58/23/629835823.db2.gz GGUQYTFPXLRSFX-LLCTXKFZSA-N 1 1 310.388 3.469 20 10 DGCDMO Cc1ccc(C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCO)o1 ZINC000835050905 629836591 /nfs/dbraw/zinc/83/65/91/629836591.db2.gz GCGRWKOLOFTFEH-SNAWJCMRSA-N 1 1 314.429 3.162 20 10 DGCDMO C[C@@H](CO)[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC1CCC1 ZINC000835049529 629836675 /nfs/dbraw/zinc/83/66/75/629836675.db2.gz JNGKWIMMZCHXST-WHWKNOJMSA-N 1 1 302.462 3.249 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000835051834 629836905 /nfs/dbraw/zinc/83/69/05/629836905.db2.gz KIQLLCKDSYVLKW-WUUFJKRQSA-N 1 1 323.440 3.314 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C2CCN(OC)CC2)cc1F ZINC000835076697 629845187 /nfs/dbraw/zinc/84/51/87/629845187.db2.gz UNTZKPSCQPZSOR-UHFFFAOYSA-N 1 1 323.456 3.130 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F)c1 ZINC000840870836 630369572 /nfs/dbraw/zinc/36/95/72/630369572.db2.gz AHHDFHRTRWRMGR-UWVGGRQHSA-N 1 1 319.323 3.418 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000840891149 630373164 /nfs/dbraw/zinc/37/31/64/630373164.db2.gz GRAYEKYDRQMHJW-QGZVFWFLSA-N 1 1 317.521 3.454 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cc(C)n(C)n2)cc1F ZINC000840896556 630374462 /nfs/dbraw/zinc/37/44/62/630374462.db2.gz IVEXJEZODHNSJQ-UHFFFAOYSA-N 1 1 304.413 3.004 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000840916656 630377774 /nfs/dbraw/zinc/37/77/74/630377774.db2.gz COXJTWURPMEEKY-UHFFFAOYSA-N 1 1 302.462 3.454 20 10 DGCDMO Cc1cc(N(C)C)ccc1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000840916230 630378308 /nfs/dbraw/zinc/37/83/08/630378308.db2.gz HZNZKGKOIQEKBD-GOSISDBHSA-N 1 1 315.505 3.225 20 10 DGCDMO Cc1cc(N(C)C)ccc1CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000840916230 630378311 /nfs/dbraw/zinc/37/83/11/630378311.db2.gz HZNZKGKOIQEKBD-GOSISDBHSA-N 1 1 315.505 3.225 20 10 DGCDMO CCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(O)c1 ZINC000840956102 630385103 /nfs/dbraw/zinc/38/51/03/630385103.db2.gz AWWBLKDFEPLMET-SJLPKXTDSA-N 1 1 313.397 3.099 20 10 DGCDMO Cc1cccc(C[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c1O ZINC000840958762 630385954 /nfs/dbraw/zinc/38/59/54/630385954.db2.gz RZELJNDUEJGRDX-ZDUSSCGKSA-N 1 1 305.418 3.395 20 10 DGCDMO Cc1cccc(C[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c1O ZINC000840958762 630385959 /nfs/dbraw/zinc/38/59/59/630385959.db2.gz RZELJNDUEJGRDX-ZDUSSCGKSA-N 1 1 305.418 3.395 20 10 DGCDMO c1cc(N2CCCCC2)ccc1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000841088741 630406607 /nfs/dbraw/zinc/40/66/07/630406607.db2.gz AUHKVHQUVGBFBJ-SFHVURJKSA-N 1 1 313.489 3.441 20 10 DGCDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000841301409 630425379 /nfs/dbraw/zinc/42/53/79/630425379.db2.gz NYKIPSDVMQPWHV-RDTXWAMCSA-N 1 1 324.428 3.226 20 10 DGCDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000841301407 630425668 /nfs/dbraw/zinc/42/56/68/630425668.db2.gz NYKIPSDVMQPWHV-KDOFPFPSSA-N 1 1 324.428 3.226 20 10 DGCDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCC[C@H]1C(C)(C)C ZINC000841688447 630454684 /nfs/dbraw/zinc/45/46/84/630454684.db2.gz HPDMIKCACOBFDI-VYDXJSESSA-N 1 1 319.445 3.465 20 10 DGCDMO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C2 ZINC000841745737 630461674 /nfs/dbraw/zinc/46/16/74/630461674.db2.gz SMXUNQUEEVZZFQ-YGRLFVJLSA-N 1 1 317.820 3.352 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCOCC1CCC1)C[C@H]1CCCO1 ZINC000842152883 630499194 /nfs/dbraw/zinc/49/91/94/630499194.db2.gz JYNVNFRYZYHPOH-GOSISDBHSA-N 1 1 319.445 3.190 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCc3cc(Cl)nnc3C2)cc1C ZINC000842616575 630554021 /nfs/dbraw/zinc/55/40/21/630554021.db2.gz GMWLFHNOTVPBLV-UHFFFAOYSA-N 1 1 303.793 3.011 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCc3cc(Cl)nnc3C2)cc1C ZINC000842616575 630554023 /nfs/dbraw/zinc/55/40/23/630554023.db2.gz GMWLFHNOTVPBLV-UHFFFAOYSA-N 1 1 303.793 3.011 20 10 DGCDMO Cc1cc(Cl)cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1O ZINC000843046035 630608248 /nfs/dbraw/zinc/60/82/48/630608248.db2.gz SVEAFAOLWJJPQA-CZUORRHYSA-N 1 1 308.853 3.318 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843124624 630615929 /nfs/dbraw/zinc/61/59/29/630615929.db2.gz DQDSIGPUJYVFNU-NEPJUHHUSA-N 1 1 312.816 3.006 20 10 DGCDMO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125282 630616748 /nfs/dbraw/zinc/61/67/48/630616748.db2.gz QRYGGMYOOSYJNT-VXGBXAGGSA-N 1 1 312.816 3.006 20 10 DGCDMO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000843129039 630617683 /nfs/dbraw/zinc/61/76/83/630617683.db2.gz PLZRMTAJLUXMBN-ZDUSSCGKSA-N 1 1 315.244 3.463 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000843416051 630654507 /nfs/dbraw/zinc/65/45/07/630654507.db2.gz OQTWFYCRFFSGON-AAEUAGOBSA-N 1 1 306.362 3.074 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000843416051 630654508 /nfs/dbraw/zinc/65/45/08/630654508.db2.gz OQTWFYCRFFSGON-AAEUAGOBSA-N 1 1 306.362 3.074 20 10 DGCDMO C[N@H+]1CCC[C@@H]1CN(Cc1ccco1)Cc1ccccc1O ZINC000844308232 630717890 /nfs/dbraw/zinc/71/78/90/630717890.db2.gz XBUCTUIGAZKVTM-MRXNPFEDSA-N 1 1 300.402 3.082 20 10 DGCDMO CN1CCC[C@@H]1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000844308232 630717891 /nfs/dbraw/zinc/71/78/91/630717891.db2.gz XBUCTUIGAZKVTM-MRXNPFEDSA-N 1 1 300.402 3.082 20 10 DGCDMO CN1CCC[C@@H]1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000844308232 630717893 /nfs/dbraw/zinc/71/78/93/630717893.db2.gz XBUCTUIGAZKVTM-MRXNPFEDSA-N 1 1 300.402 3.082 20 10 DGCDMO CC[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@H](C)CO1 ZINC000844734869 630819782 /nfs/dbraw/zinc/81/97/82/630819782.db2.gz ZYWGZEJXQRMJJA-DOMZBBRYSA-N 1 1 307.434 3.395 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@H](C)CO1 ZINC000844734869 630819788 /nfs/dbraw/zinc/81/97/88/630819788.db2.gz ZYWGZEJXQRMJJA-DOMZBBRYSA-N 1 1 307.434 3.395 20 10 DGCDMO CC[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H](C)CO1 ZINC000844734871 630820001 /nfs/dbraw/zinc/82/00/01/630820001.db2.gz ZYWGZEJXQRMJJA-SWLSCSKDSA-N 1 1 307.434 3.395 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H](C)CO1 ZINC000844734871 630820005 /nfs/dbraw/zinc/82/00/05/630820005.db2.gz ZYWGZEJXQRMJJA-SWLSCSKDSA-N 1 1 307.434 3.395 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000846042702 631207740 /nfs/dbraw/zinc/20/77/40/631207740.db2.gz NXCATQGGBQBFJT-MRXNPFEDSA-N 1 1 313.800 3.480 20 10 DGCDMO C[C@@H](CO)C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000846058095 631208686 /nfs/dbraw/zinc/20/86/86/631208686.db2.gz LDGHDVOVGYRXJH-JTQLQIEISA-N 1 1 301.789 3.025 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000846100607 631209456 /nfs/dbraw/zinc/20/94/56/631209456.db2.gz PDENUKBPNZLKMP-SPEDKVCISA-N 1 1 320.502 3.018 20 10 DGCDMO FC1(F)C[C@@]12CCC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000846107859 631209834 /nfs/dbraw/zinc/20/98/34/631209834.db2.gz LIYZWFBYTWNLTK-QGZVFWFLSA-N 1 1 322.399 3.144 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)C[C@H]3CCCOC3)c2c1 ZINC000107671971 631679321 /nfs/dbraw/zinc/67/93/21/631679321.db2.gz FLOIEFJFLDALKZ-CQSZACIVSA-N 1 1 315.413 3.412 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000848559411 631692661 /nfs/dbraw/zinc/69/26/61/631692661.db2.gz WIOKSPKHWCNLHF-WVZRYYJFSA-N 1 1 324.440 3.070 20 10 DGCDMO CCc1cccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1O ZINC000848880771 631768319 /nfs/dbraw/zinc/76/83/19/631768319.db2.gz HYCZCHUZYCYCSL-UHFFFAOYSA-N 1 1 324.424 3.218 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)c1O ZINC000848882611 631769686 /nfs/dbraw/zinc/76/96/86/631769686.db2.gz VVSUVURMRQKRHZ-HNNXBMFYSA-N 1 1 301.390 3.026 20 10 DGCDMO CCc1cccc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c1O ZINC000848890557 631772990 /nfs/dbraw/zinc/77/29/90/631772990.db2.gz RTXNZDDHXRFGKU-GFCCVEGCSA-N 1 1 316.367 3.023 20 10 DGCDMO CCc1cccc(C[NH2+]Cc2ccc(F)c(CN(C)C)c2)c1O ZINC000848896660 631777603 /nfs/dbraw/zinc/77/76/03/631777603.db2.gz GHJXPKGPMHNWAA-UHFFFAOYSA-N 1 1 316.420 3.445 20 10 DGCDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(CC)c1O ZINC000848911671 631784191 /nfs/dbraw/zinc/78/41/91/631784191.db2.gz XRDNYAAPNKZKNF-MRXNPFEDSA-N 1 1 320.433 3.055 20 10 DGCDMO CCc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1O ZINC000848915834 631785510 /nfs/dbraw/zinc/78/55/10/631785510.db2.gz MKJKXHXPXCVEFO-KZNAEPCWSA-N 1 1 303.446 3.470 20 10 DGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350532 631900497 /nfs/dbraw/zinc/90/04/97/631900497.db2.gz PHSNEZKGBNDTSC-AWEZNQCLSA-N 1 1 308.853 3.257 20 10 DGCDMO [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350836 631901622 /nfs/dbraw/zinc/90/16/22/631901622.db2.gz YAUWGDOERRGRPQ-CQSZACIVSA-N 1 1 308.853 3.257 20 10 DGCDMO [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350836 631901626 /nfs/dbraw/zinc/90/16/26/631901626.db2.gz YAUWGDOERRGRPQ-CQSZACIVSA-N 1 1 308.853 3.257 20 10 DGCDMO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850343899 632119435 /nfs/dbraw/zinc/11/94/35/632119435.db2.gz SZDOIQQNUDFXLW-JTQLQIEISA-N 1 1 300.805 3.147 20 10 DGCDMO CCOc1ccc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(O)c1 ZINC000850381453 632133999 /nfs/dbraw/zinc/13/39/99/632133999.db2.gz FRENQPSHKAVLLX-MRXNPFEDSA-N 1 1 318.461 3.288 20 10 DGCDMO CCOc1ccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)c(O)c1 ZINC000850381453 632134002 /nfs/dbraw/zinc/13/40/02/632134002.db2.gz FRENQPSHKAVLLX-MRXNPFEDSA-N 1 1 318.461 3.288 20 10 DGCDMO CCOc1cccc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)c1O ZINC000850381891 632134311 /nfs/dbraw/zinc/13/43/11/632134311.db2.gz LBTSPZBRDBZPHC-INIZCTEOSA-N 1 1 318.461 3.288 20 10 DGCDMO CCOc1cccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)c1O ZINC000850381891 632134316 /nfs/dbraw/zinc/13/43/16/632134316.db2.gz LBTSPZBRDBZPHC-INIZCTEOSA-N 1 1 318.461 3.288 20 10 DGCDMO CC[C@H](COCC1CC1)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000850494620 632170805 /nfs/dbraw/zinc/17/08/05/632170805.db2.gz RDLCDGKDFTWRRA-IUODEOHRSA-N 1 1 321.417 3.035 20 10 DGCDMO COc1ccc(O)c([C@@H](C)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000850537884 632185712 /nfs/dbraw/zinc/18/57/12/632185712.db2.gz AVRUUCKBDNQMQE-CABCVRRESA-N 1 1 318.461 3.458 20 10 DGCDMO COc1ccc(O)c([C@@H](C)N[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000850537884 632185716 /nfs/dbraw/zinc/18/57/16/632185716.db2.gz AVRUUCKBDNQMQE-CABCVRRESA-N 1 1 318.461 3.458 20 10 DGCDMO C[C@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1cc(F)cc(F)c1O ZINC000850538095 632186381 /nfs/dbraw/zinc/18/63/81/632186381.db2.gz VQNYVEBQBHKXGI-TVQRCGJNSA-N 1 1 323.314 3.464 20 10 DGCDMO COC(=O)N(C)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000850548351 632189111 /nfs/dbraw/zinc/18/91/11/632189111.db2.gz OZWCCOYJAZHNAP-MRVPVSSYSA-N 1 1 321.204 3.048 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C(C)(C)C2(F)F)c1 ZINC000850553205 632191140 /nfs/dbraw/zinc/19/11/40/632191140.db2.gz UAFAJBYLDWUHQA-TVQRCGJNSA-N 1 1 313.344 3.121 20 10 DGCDMO COc1ccc(OCCC[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109771598 632316783 /nfs/dbraw/zinc/31/67/83/632316783.db2.gz TZFVFSVCFLYRBH-UHFFFAOYSA-N 1 1 301.386 3.302 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](O)c2ccccn2)cc1 ZINC000851716295 632472861 /nfs/dbraw/zinc/47/28/61/632472861.db2.gz LPLSTBWRPOGRGM-IBGZPJMESA-N 1 1 313.445 3.093 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000851715690 632473237 /nfs/dbraw/zinc/47/32/37/632473237.db2.gz BAQLKAYUDBNONE-QRVBRYPASA-N 1 1 314.473 3.391 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cc(OC)no2)cc1 ZINC000851717240 632474396 /nfs/dbraw/zinc/47/43/96/632474396.db2.gz UXBVOYJYHPQURC-UHFFFAOYSA-N 1 1 303.406 3.161 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cc(OC)no2)cc1 ZINC000851717240 632474400 /nfs/dbraw/zinc/47/44/00/632474400.db2.gz UXBVOYJYHPQURC-UHFFFAOYSA-N 1 1 303.406 3.161 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)ccc1N1CCCCC1 ZINC000852536475 632619737 /nfs/dbraw/zinc/61/97/37/632619737.db2.gz VAQPZZFUQVHIAS-AZUAARDMSA-N 1 1 314.473 3.454 20 10 DGCDMO COc1cc(Br)cc(C[N@@H+](C)[C@H](C)C2CC2)c1O ZINC000158030485 661869524 /nfs/dbraw/zinc/86/95/24/661869524.db2.gz LUVKIWFGWCDTPW-SECBINFHSA-N 1 1 314.223 3.394 20 10 DGCDMO CC[N@H+](Cc1c(O)cccc1Br)C[C@H](C)OC ZINC000707171882 660892629 /nfs/dbraw/zinc/89/26/29/660892629.db2.gz NTKNNTAVLOVIKI-JTQLQIEISA-N 1 1 302.212 3.012 20 10 DGCDMO C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[N@H+](C2CCC2)C1 ZINC000795119575 661127619 /nfs/dbraw/zinc/12/76/19/661127619.db2.gz GEIAUQJGAIRJHT-INIZCTEOSA-N 1 1 301.478 3.059 20 10 DGCDMO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000795697244 661168232 /nfs/dbraw/zinc/16/82/32/661168232.db2.gz CAJNXWKHSXNFNK-BEFAXECRSA-N 1 1 314.473 3.330 20 10 DGCDMO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc2c(cc1O)CCCC2 ZINC000795697244 661168234 /nfs/dbraw/zinc/16/82/34/661168234.db2.gz CAJNXWKHSXNFNK-BEFAXECRSA-N 1 1 314.473 3.330 20 10 DGCDMO CCOC(=O)CC[N@@H+](Cc1c(O)ccc2ccccc21)C1CC1 ZINC000065187780 655676334 /nfs/dbraw/zinc/67/63/34/655676334.db2.gz RSSQZWLRHPRDKM-UHFFFAOYSA-N 1 1 313.397 3.463 20 10 DGCDMO C[C@@]1(C[NH2+]Cc2ccccc2O)CCN(Cc2ccccc2)C1 ZINC000309702076 655876606 /nfs/dbraw/zinc/87/66/06/655876606.db2.gz GMWKUDZUZGXKLJ-FQEVSTJZSA-N 1 1 310.441 3.394 20 10 DGCDMO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000177954797 655950863 /nfs/dbraw/zinc/95/08/63/655950863.db2.gz CZKUFIQDXVKLSE-ZDUSSCGKSA-N 1 1 302.397 3.390 20 10 DGCDMO CC1(C)CC[C@@H](C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)O1 ZINC000184669569 656120554 /nfs/dbraw/zinc/12/05/54/656120554.db2.gz JSVVYAQRKGQHRZ-IRXDYDNUSA-N 1 1 319.445 3.331 20 10 DGCDMO C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000184912566 656122021 /nfs/dbraw/zinc/12/20/21/656122021.db2.gz POFYIRWCXUABBK-MJBXVCDLSA-N 1 1 324.440 3.070 20 10 DGCDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000185581881 656127832 /nfs/dbraw/zinc/12/78/32/656127832.db2.gz ZVQTZVQPFJQYLK-KRWDZBQOSA-N 1 1 318.461 3.306 20 10 DGCDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000187993086 656142903 /nfs/dbraw/zinc/14/29/03/656142903.db2.gz VUBOXXSUQRKYPN-KRWDZBQOSA-N 1 1 315.413 3.090 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)CCCNC(=O)OC(C)(C)C)cc1 ZINC000093538225 656358154 /nfs/dbraw/zinc/35/81/54/656358154.db2.gz DWYRDGWXEOIIRC-UHFFFAOYSA-N 1 1 321.465 3.099 20 10 DGCDMO CCOc1cccc(CNC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1O ZINC000236939786 656993338 /nfs/dbraw/zinc/99/33/38/656993338.db2.gz LTAJYMVNPMWJKJ-DNVCBOLYSA-N 1 1 320.477 3.391 20 10 DGCDMO COc1ccc(O)c(CNC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000237204541 657378323 /nfs/dbraw/zinc/37/83/23/657378323.db2.gz SIHNIWUFIYAEQH-KBXCAEBGSA-N 1 1 306.450 3.001 20 10 DGCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H]1CCCO1 ZINC000097989738 657700308 /nfs/dbraw/zinc/70/03/08/657700308.db2.gz FDSNHXARGUSYDT-CYBMUJFWSA-N 1 1 314.223 3.156 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2cnn(C)c2)c(O)c(C(C)(C)C)c1 ZINC000163999244 658912039 /nfs/dbraw/zinc/91/20/39/658912039.db2.gz ATWNCUZGQYSBSZ-UHFFFAOYSA-N 1 1 317.433 3.064 20 10 DGCDMO COCCC[N@@H+](Cc1ccncc1)Cc1cc(C)cc(C)c1O ZINC000164304877 658929158 /nfs/dbraw/zinc/92/91/58/658929158.db2.gz WTPZQOSJIAEXMO-UHFFFAOYSA-N 1 1 314.429 3.443 20 10 DGCDMO COc1cc(C[N@@H+](C)C[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000164460834 658935002 /nfs/dbraw/zinc/93/50/02/658935002.db2.gz HFNZUVZDDNPUDK-CYBMUJFWSA-N 1 1 307.434 3.167 20 10 DGCDMO COc1cccc(CNC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1O ZINC000058066194 659049557 /nfs/dbraw/zinc/04/95/57/659049557.db2.gz SAKNMWJWPDWXBE-KSSFIOAISA-N 1 1 306.450 3.001 20 10 DGCDMO [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]21 ZINC000228535415 659194438 /nfs/dbraw/zinc/19/44/38/659194438.db2.gz KPPIOEMCUDJPDM-GAJTVXKRSA-N 1 1 315.244 3.258 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCCO[C@H](C)C3)c2c1 ZINC000172494737 659341259 /nfs/dbraw/zinc/34/12/59/659341259.db2.gz CWMQUCAKARQABY-CYBMUJFWSA-N 1 1 301.386 3.165 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000179574432 659933445 /nfs/dbraw/zinc/93/34/45/659933445.db2.gz 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Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)cc2O)cc1 ZINC001659015378 1196331994 /nfs/dbraw/zinc/33/19/94/1196331994.db2.gz PFKKPZDZRGQJDS-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)cc2O)cc1 ZINC001659015378 1196332000 /nfs/dbraw/zinc/33/20/00/1196332000.db2.gz PFKKPZDZRGQJDS-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC001659050615 1196337786 /nfs/dbraw/zinc/33/77/86/1196337786.db2.gz UZPYLUGAVGKNPV-HNNXBMFYSA-N 1 1 313.445 3.314 20 10 DGCDMO CC[N@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)OC)CC1CC1 ZINC001659177852 1196355672 /nfs/dbraw/zinc/35/56/72/1196355672.db2.gz QDBBBLZRJBDBMG-UHFFFAOYSA-N 1 1 318.392 3.336 20 10 DGCDMO COc1cc(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC001659332593 1196373001 /nfs/dbraw/zinc/37/30/01/1196373001.db2.gz RXHPHOLGDGFBAO-OKILXGFUSA-N 1 1 320.477 3.223 20 10 DGCDMO COc1cc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC001659332593 1196373006 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DGCDMO CC[C@H]1COCC[N@@H+]1Cc1ccc(N(CC)CC)cc1OC ZINC001138388902 1091163093 /nfs/dbraw/zinc/16/30/93/1091163093.db2.gz AGPVMZLNWNCSGJ-INIZCTEOSA-N 1 1 306.450 3.152 20 10 DGCDMO CC[C@H]1COCC[N@H+]1Cc1ccc(N(CC)CC)cc1OC ZINC001138388902 1091163100 /nfs/dbraw/zinc/16/31/00/1091163100.db2.gz AGPVMZLNWNCSGJ-INIZCTEOSA-N 1 1 306.450 3.152 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](CC)CC(C)(C)O)c(OC)c1 ZINC001138390482 1091165409 /nfs/dbraw/zinc/16/54/09/1091165409.db2.gz YQAOGYCTEBWWEJ-UHFFFAOYSA-N 1 1 308.466 3.134 20 10 DGCDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(N(CC)CC)cc2OC)C1 ZINC001138392476 1091165437 /nfs/dbraw/zinc/16/54/37/1091165437.db2.gz XIFBMOFVIPKREA-QGZVFWFLSA-N 1 1 306.450 3.152 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@@H]1C[NH3+] ZINC001205319349 1091183566 /nfs/dbraw/zinc/18/35/66/1091183566.db2.gz ZGMARCAKMSEVSN-QAPCUYQASA-N 1 1 310.441 3.476 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@@H]1C[NH3+] ZINC001205319349 1091183569 /nfs/dbraw/zinc/18/35/69/1091183569.db2.gz ZGMARCAKMSEVSN-QAPCUYQASA-N 1 1 310.441 3.476 20 10 DGCDMO CC(C)c1ccc(O)c(C[NH2+]CCCN2CCCO[C@H](C)C2)c1 ZINC001205406666 1091214545 /nfs/dbraw/zinc/21/45/45/1091214545.db2.gz SNIQTLFKVKRRNM-MRXNPFEDSA-N 1 1 320.477 3.106 20 10 DGCDMO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001138580974 1091239717 /nfs/dbraw/zinc/23/97/17/1091239717.db2.gz OVFRBSQZLIFOLL-UHFFFAOYSA-N 1 1 315.417 3.067 20 10 DGCDMO CC(C)(C)c1n[nH]cc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001138580974 1091239725 /nfs/dbraw/zinc/23/97/25/1091239725.db2.gz OVFRBSQZLIFOLL-UHFFFAOYSA-N 1 1 315.417 3.067 20 10 DGCDMO [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001205581360 1091264290 /nfs/dbraw/zinc/26/42/90/1091264290.db2.gz SSURKYSXDIJREW-CQSZACIVSA-N 1 1 320.330 3.064 20 10 DGCDMO [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001205581360 1091264296 /nfs/dbraw/zinc/26/42/96/1091264296.db2.gz SSURKYSXDIJREW-CQSZACIVSA-N 1 1 320.330 3.064 20 10 DGCDMO COC1(c2ccccc2)C[NH+](Cc2ccc(N(C)C)cc2C)C1 ZINC001205706599 1091318438 /nfs/dbraw/zinc/31/84/38/1091318438.db2.gz OWEXZFBIFDJSBI-UHFFFAOYSA-N 1 1 310.441 3.419 20 10 DGCDMO C[C@@H]1CC[C@H](CN)[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806308 1091357529 /nfs/dbraw/zinc/35/75/29/1091357529.db2.gz TWRVAYNAJJENEU-NVXWUHKLSA-N 1 1 311.473 3.465 20 10 DGCDMO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806308 1091357556 /nfs/dbraw/zinc/35/75/56/1091357556.db2.gz TWRVAYNAJJENEU-NVXWUHKLSA-N 1 1 311.473 3.465 20 10 DGCDMO CCCN(Cc1ccccc1O)C(=O)c1ccc(C[NH+](C)C)o1 ZINC001294681696 1091428511 /nfs/dbraw/zinc/42/85/11/1091428511.db2.gz UPPHQHPMOOZBNN-UHFFFAOYSA-N 1 1 316.401 3.099 20 10 DGCDMO CC[N@@H+](Cc1ccccn1)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139129576 1091458944 /nfs/dbraw/zinc/45/89/44/1091458944.db2.gz AQPBXRIWSLAPMT-UHFFFAOYSA-N 1 1 324.380 3.224 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206163894 1091516370 /nfs/dbraw/zinc/51/63/70/1091516370.db2.gz HGGDAETVBFKNTR-RBUKOAKNSA-N 1 1 315.436 3.355 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206163894 1091516390 /nfs/dbraw/zinc/51/63/90/1091516390.db2.gz HGGDAETVBFKNTR-RBUKOAKNSA-N 1 1 315.436 3.355 20 10 DGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)c1 ZINC001206245024 1091547297 /nfs/dbraw/zinc/54/72/97/1091547297.db2.gz PHACUGDKPMWXLG-OAHLLOKOSA-N 1 1 316.367 3.155 20 10 DGCDMO CCC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)[C@@H](C)CC ZINC001139404561 1091550461 /nfs/dbraw/zinc/55/04/61/1091550461.db2.gz OPNLBKKIANDYRN-KRWDZBQOSA-N 1 1 303.494 3.449 20 10 DGCDMO CCC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)[C@@H](C)CC ZINC001139404561 1091550464 /nfs/dbraw/zinc/55/04/64/1091550464.db2.gz OPNLBKKIANDYRN-KRWDZBQOSA-N 1 1 303.494 3.449 20 10 DGCDMO CC(C)C1CC[NH+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001139412102 1091552061 /nfs/dbraw/zinc/55/20/61/1091552061.db2.gz DYKKMXKHNIBJIR-UHFFFAOYSA-N 1 1 315.505 3.306 20 10 DGCDMO CCc1ncnc2c1CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC001139671063 1091638208 /nfs/dbraw/zinc/63/82/08/1091638208.db2.gz FWGPAVXNWGIGCW-UHFFFAOYSA-N 1 1 324.472 3.014 20 10 DGCDMO Cc1cc(C[N@@H+]2CCO[C@H](c3ccncc3)C2)ccc1N(C)C ZINC001139673421 1091639558 /nfs/dbraw/zinc/63/95/58/1091639558.db2.gz GPEIEGZJHRVILQ-IBGZPJMESA-N 1 1 311.429 3.030 20 10 DGCDMO Cc1cc(C[N@H+]2CCO[C@H](c3ccncc3)C2)ccc1N(C)C ZINC001139673421 1091639563 /nfs/dbraw/zinc/63/95/63/1091639563.db2.gz GPEIEGZJHRVILQ-IBGZPJMESA-N 1 1 311.429 3.030 20 10 DGCDMO Cc1cc(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)ccc1N(C)C ZINC001139673010 1091639854 /nfs/dbraw/zinc/63/98/54/1091639854.db2.gz NWOVTPDEYNEVDT-LJQANCHMSA-N 1 1 311.429 3.030 20 10 DGCDMO Cc1cc(C[N@H+]2CCO[C@@H](c3ccccn3)C2)ccc1N(C)C ZINC001139673010 1091639858 /nfs/dbraw/zinc/63/98/58/1091639858.db2.gz NWOVTPDEYNEVDT-LJQANCHMSA-N 1 1 311.429 3.030 20 10 DGCDMO Cc1cc(C[N@H+]2CCN(C)CC23CCCC3)ccc1N(C)C ZINC001139674091 1091639940 /nfs/dbraw/zinc/63/99/40/1091639940.db2.gz NIPFILWBTCSLKD-UHFFFAOYSA-N 1 1 301.478 3.121 20 10 DGCDMO Cc1cc(CN2CC[N@H+](C)CC23CCCC3)ccc1N(C)C ZINC001139674091 1091639944 /nfs/dbraw/zinc/63/99/44/1091639944.db2.gz NIPFILWBTCSLKD-UHFFFAOYSA-N 1 1 301.478 3.121 20 10 DGCDMO Cc1cc(CN2CC[N@@H+](C)CC23CCCC3)ccc1N(C)C ZINC001139674091 1091639947 /nfs/dbraw/zinc/63/99/47/1091639947.db2.gz NIPFILWBTCSLKD-UHFFFAOYSA-N 1 1 301.478 3.121 20 10 DGCDMO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674569 1091640200 /nfs/dbraw/zinc/64/02/00/1091640200.db2.gz WNMQHBPIISUQQS-QGZVFWFLSA-N 1 1 318.461 3.226 20 10 DGCDMO CN(C)c1ccc(CN2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206556862 1091668807 /nfs/dbraw/zinc/66/88/07/1091668807.db2.gz YNGBLRQXZGBTAG-QGZVFWFLSA-N 1 1 309.885 3.357 20 10 DGCDMO COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)c2c1 ZINC001206805713 1091748092 /nfs/dbraw/zinc/74/80/92/1091748092.db2.gz CRQVZALISDXYQH-UONOGXRCSA-N 1 1 314.429 3.113 20 10 DGCDMO COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)c2c1 ZINC001206805713 1091748102 /nfs/dbraw/zinc/74/81/02/1091748102.db2.gz CRQVZALISDXYQH-UONOGXRCSA-N 1 1 314.429 3.113 20 10 DGCDMO C[N@@H+](CCc1cccnc1)Cc1c(O)cccc1Br ZINC001140101042 1091769802 /nfs/dbraw/zinc/76/98/02/1091769802.db2.gz HMXGOXULEFSXNP-UHFFFAOYSA-N 1 1 321.218 3.224 20 10 DGCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)c1O ZINC001140178594 1091791701 /nfs/dbraw/zinc/79/17/01/1091791701.db2.gz PTKVUMHFKLQPJV-DOMZBBRYSA-N 1 1 317.351 3.144 20 10 DGCDMO CCOC(=O)C[C@H]1CCC[N@@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178848 1091791827 /nfs/dbraw/zinc/79/18/27/1091791827.db2.gz ZSAXAVLMMFYRJU-OAHLLOKOSA-N 1 1 305.418 3.174 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CCN3C(=O)c4ccccc4[C@H]3C2)c1O ZINC001140181575 1091794094 /nfs/dbraw/zinc/79/40/94/1091794094.db2.gz SUXSPNGVANDWFC-GOSISDBHSA-N 1 1 322.408 3.022 20 10 DGCDMO CSc1ncc2c(n1)C[N@H+](Cc1c(C)ccc(C)c1O)CC2 ZINC001140184393 1091795588 /nfs/dbraw/zinc/79/55/88/1091795588.db2.gz RPBMHFZMSYEFHJ-UHFFFAOYSA-N 1 1 315.442 3.079 20 10 DGCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c1O ZINC001140186071 1091795621 /nfs/dbraw/zinc/79/56/21/1091795621.db2.gz ZHDVVZBFNHRGKI-ZWKOTPCHSA-N 1 1 320.452 3.407 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c1O ZINC001140186071 1091795622 /nfs/dbraw/zinc/79/56/22/1091795622.db2.gz ZHDVVZBFNHRGKI-ZWKOTPCHSA-N 1 1 320.452 3.407 20 10 DGCDMO CC[N@H+](Cc1ncc2ccccn21)Cc1ccc(N(C)C)cc1 ZINC001207055057 1091831217 /nfs/dbraw/zinc/83/12/17/1091831217.db2.gz UPRVCCQMYOSQBJ-UHFFFAOYSA-N 1 1 308.429 3.422 20 10 DGCDMO CC[N@@H+](Cc1ncc2ccccn21)Cc1ccc(N(C)C)cc1 ZINC001207055057 1091831224 /nfs/dbraw/zinc/83/12/24/1091831224.db2.gz UPRVCCQMYOSQBJ-UHFFFAOYSA-N 1 1 308.429 3.422 20 10 DGCDMO CCN(Cc1[nH+]cc2ccccn21)Cc1ccc(N(C)C)cc1 ZINC001207055057 1091831231 /nfs/dbraw/zinc/83/12/31/1091831231.db2.gz UPRVCCQMYOSQBJ-UHFFFAOYSA-N 1 1 308.429 3.422 20 10 DGCDMO COC(=O)CC[N@@H+](Cc1c(O)cccc1Cl)C1CCCC1 ZINC001140345224 1091837455 /nfs/dbraw/zinc/83/74/55/1091837455.db2.gz QHSBMGIFRMPGPY-UHFFFAOYSA-N 1 1 311.809 3.353 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001140464896 1091875388 /nfs/dbraw/zinc/87/53/88/1091875388.db2.gz FQJCQRYBOQZLDK-HNNXBMFYSA-N 1 1 304.777 3.094 20 10 DGCDMO CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464862 1091876272 /nfs/dbraw/zinc/87/62/72/1091876272.db2.gz CYOBQCMSJGRYRO-MRXNPFEDSA-N 1 1 311.809 3.211 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c1 ZINC001140617268 1091932948 /nfs/dbraw/zinc/93/29/48/1091932948.db2.gz JWIVWOONBZYSRA-DOMZBBRYSA-N 1 1 317.351 3.226 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc(OC(F)F)c(O)c1)CC2 ZINC001140630579 1091937974 /nfs/dbraw/zinc/93/79/74/1091937974.db2.gz XXUVTYRGQAEBJS-UHFFFAOYSA-N 1 1 321.323 3.258 20 10 DGCDMO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001140660520 1091950162 /nfs/dbraw/zinc/95/01/62/1091950162.db2.gz UTXCOOXYMOEYCN-IYBDPMFKSA-N 1 1 318.436 3.284 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N2CCOCC2)cc1F)CC1CC1 ZINC001140661885 1091950527 /nfs/dbraw/zinc/95/05/27/1091950527.db2.gz WRIFSLLIRSFTLA-UHFFFAOYSA-N 1 1 306.425 3.283 20 10 DGCDMO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001203058925 1091962885 /nfs/dbraw/zinc/96/28/85/1091962885.db2.gz XNRZKTHKHKHUMC-UHFFFAOYSA-N 1 1 312.461 3.269 20 10 DGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)c1O ZINC001140745578 1091982952 /nfs/dbraw/zinc/98/29/52/1091982952.db2.gz KZDHMLLPAFJIAR-QGZVFWFLSA-N 1 1 313.397 3.197 20 10 DGCDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1ccc(O)c(C)c1O ZINC001140748982 1091984445 /nfs/dbraw/zinc/98/44/45/1091984445.db2.gz MTTCUSYDOGIPEX-UHFFFAOYSA-N 1 1 301.386 3.437 20 10 DGCDMO CCCO[C@@H]1CC[N@@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140854890 1092031543 /nfs/dbraw/zinc/03/15/43/1092031543.db2.gz GEILQRKPVHKYFQ-QGZVFWFLSA-N 1 1 306.450 3.239 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](OC)CC2)c(O)c1 ZINC001140855527 1092031872 /nfs/dbraw/zinc/03/18/72/1092031872.db2.gz DCYUAFNTUPCSDL-QGZVFWFLSA-N 1 1 306.450 3.239 20 10 DGCDMO CN(C)c1ccc(CN2CCC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC001140924870 1092064983 /nfs/dbraw/zinc/06/49/83/1092064983.db2.gz VEZAHIPICIARBT-MRXNPFEDSA-N 1 1 307.869 3.076 20 10 DGCDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924105 1092065298 /nfs/dbraw/zinc/06/52/98/1092065298.db2.gz DLEWTTZDNALVIC-CQSZACIVSA-N 1 1 324.852 3.181 20 10 DGCDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140926724 1092066645 /nfs/dbraw/zinc/06/66/45/1092066645.db2.gz RPLFVPMABAYRPJ-CYBMUJFWSA-N 1 1 324.852 3.181 20 10 DGCDMO CN(C)c1ccc(CN2CC[C@@H]([N@@H+](C)C3CC3)C2)c(Cl)c1 ZINC001140926759 1092067143 /nfs/dbraw/zinc/06/71/43/1092067143.db2.gz UGQKUHHFZUGMBT-MRXNPFEDSA-N 1 1 307.869 3.075 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc3cccc(O)c3n1)CC2 ZINC001141024619 1092109242 /nfs/dbraw/zinc/10/92/42/1092109242.db2.gz XLMFGSVNPVDCAN-UHFFFAOYSA-N 1 1 306.365 3.204 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)Cc1c(O)cc(OC)cc1OC ZINC001141028877 1092110425 /nfs/dbraw/zinc/11/04/25/1092110425.db2.gz DFPYTQQGUUHBIE-UHFFFAOYSA-N 1 1 317.385 3.137 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)CCCc2ccccc2)c(OC)c1 ZINC001141026776 1092110908 /nfs/dbraw/zinc/11/09/08/1092110908.db2.gz CLWJDTAISUOUQS-UHFFFAOYSA-N 1 1 315.413 3.474 20 10 DGCDMO CC[N@@H+](Cc1cccs1)Cc1c(O)cc(OC)cc1OC ZINC001141030843 1092112782 /nfs/dbraw/zinc/11/27/82/1092112782.db2.gz NJNWFJWRMXWORP-UHFFFAOYSA-N 1 1 307.415 3.493 20 10 DGCDMO F[C@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C[C@@H]2C[C@@H]21 ZINC001141075734 1092129380 /nfs/dbraw/zinc/12/93/80/1092129380.db2.gz YLJKDTRITOIHTF-BZSNNMDCSA-N 1 1 300.421 3.175 20 10 DGCDMO CN1CCOc2cc(C[N@H+]3CCC[C@H]3c3ccncc3)ccc21 ZINC001141143086 1092148688 /nfs/dbraw/zinc/14/86/88/1092148688.db2.gz MPAFQNUIKHKCPG-KRWDZBQOSA-N 1 1 309.413 3.247 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc3c(c1)OC(F)(F)O3)CC2 ZINC001141155122 1092153542 /nfs/dbraw/zinc/15/35/42/1092153542.db2.gz BQUAAHCJSSUPOO-UHFFFAOYSA-N 1 1 319.307 3.272 20 10 DGCDMO COc1cccc([C@@H]2CCC[N@@H+](Cc3cc(O)ccc3O)C2)c1 ZINC001141162657 1092157376 /nfs/dbraw/zinc/15/73/76/1092157376.db2.gz YRMXRTGHWRWHER-OAHLLOKOSA-N 1 1 313.397 3.486 20 10 DGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001207957274 1092158267 /nfs/dbraw/zinc/15/82/67/1092158267.db2.gz UMMZVMPFUIKJQG-HNNXBMFYSA-N 1 1 314.429 3.114 20 10 DGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001207957274 1092158272 /nfs/dbraw/zinc/15/82/72/1092158272.db2.gz UMMZVMPFUIKJQG-HNNXBMFYSA-N 1 1 314.429 3.114 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1cccc(-n3ccnc3)c1)CC2 ZINC001141244251 1092191247 /nfs/dbraw/zinc/19/12/47/1092191247.db2.gz HACPQVDIFXUVAN-UHFFFAOYSA-N 1 1 305.381 3.136 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(Cl)nn1 ZINC001142070870 1092401816 /nfs/dbraw/zinc/40/18/16/1092401816.db2.gz IKMNVUKIJSRAJN-UHFFFAOYSA-N 1 1 316.836 3.362 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(Cl)nn1 ZINC001142070870 1092401825 /nfs/dbraw/zinc/40/18/25/1092401825.db2.gz IKMNVUKIJSRAJN-UHFFFAOYSA-N 1 1 316.836 3.362 20 10 DGCDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2O)CN1C(=O)OC(C)(C)C ZINC001168871125 1092406977 /nfs/dbraw/zinc/40/69/77/1092406977.db2.gz GZGNTRLWAWAXRD-UKRRQHHQSA-N 1 1 320.433 3.222 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001142521126 1092495072 /nfs/dbraw/zinc/49/50/72/1092495072.db2.gz YKBUKGUSIDOOMK-UHFFFAOYSA-N 1 1 320.339 3.109 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169023290 1092505423 /nfs/dbraw/zinc/50/54/23/1092505423.db2.gz FDUDXTISOYVDTC-AEFFLSMTSA-N 1 1 317.433 3.164 20 10 DGCDMO CC(C)Oc1ncccc1CC[N@H+]1CCc2cccc(O)c2C1 ZINC001208800130 1092515631 /nfs/dbraw/zinc/51/56/31/1092515631.db2.gz IMGLCIXCDJQNFJ-UHFFFAOYSA-N 1 1 312.413 3.175 20 10 DGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC001208880881 1092560635 /nfs/dbraw/zinc/56/06/35/1092560635.db2.gz QPJHXORAWKBXOI-OAHLLOKOSA-N 1 1 312.413 3.238 20 10 DGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C[C@H]2CCC=CO2)C1 ZINC001208880881 1092560642 /nfs/dbraw/zinc/56/06/42/1092560642.db2.gz QPJHXORAWKBXOI-OAHLLOKOSA-N 1 1 312.413 3.238 20 10 DGCDMO CC(C)(C)c1cccc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1O ZINC001143116828 1092618466 /nfs/dbraw/zinc/61/84/66/1092618466.db2.gz LRCFTFFMQZNBMB-HIFRSBDPSA-N 1 1 301.430 3.491 20 10 DGCDMO CC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)Cc1ccccc1O ZINC001209140420 1092668808 /nfs/dbraw/zinc/66/88/08/1092668808.db2.gz UFASYDMKAWFSEO-UHFFFAOYSA-N 1 1 322.449 3.471 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCc3ncncc3C2)cc1 ZINC001209516613 1092805455 /nfs/dbraw/zinc/80/54/55/1092805455.db2.gz CAKBAYAVDCAKEZ-UHFFFAOYSA-N 1 1 318.424 3.442 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCc3ncncc3C2)cc1 ZINC001209516613 1092805462 /nfs/dbraw/zinc/80/54/62/1092805462.db2.gz CAKBAYAVDCAKEZ-UHFFFAOYSA-N 1 1 318.424 3.442 20 10 DGCDMO COC(=O)CC[N@@H+](C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209519721 1092808363 /nfs/dbraw/zinc/80/83/63/1092808363.db2.gz GRJROAAODBFNRF-UHFFFAOYSA-N 1 1 300.402 3.089 20 10 DGCDMO Oc1c(Cl)cc(F)cc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210265896 1093101653 /nfs/dbraw/zinc/10/16/53/1093101653.db2.gz BPDFSXCJELWRKU-MRXNPFEDSA-N 1 1 320.795 3.331 20 10 DGCDMO COc1cccc(C[N@@H+](Cc2ccccc2)CC(C)(C)O)c1O ZINC000305779142 1094011114 /nfs/dbraw/zinc/01/11/14/1094011114.db2.gz MZIKLPURCRJCQC-UHFFFAOYSA-N 1 1 315.413 3.174 20 10 DGCDMO Oc1c(C[NH2+][C@H]2CCCOCC2)cc(Cl)c2cccnc12 ZINC001170789541 1094387791 /nfs/dbraw/zinc/38/77/91/1094387791.db2.gz GOCSMPUJNGIOCH-LBPRGKRZSA-N 1 1 306.793 3.253 20 10 DGCDMO Nc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC001336284503 1094614864 /nfs/dbraw/zinc/61/48/64/1094614864.db2.gz AEOJCIKOPCDHKM-OALUTQOASA-N 1 1 314.404 3.496 20 10 DGCDMO COc1cc(C)c(C[N@@H+]2CCC[C@]3(CCCN(C)C3)C2)c(O)c1 ZINC001276806129 1094992478 /nfs/dbraw/zinc/99/24/78/1094992478.db2.gz HFDBVPVOCJCUMA-IBGZPJMESA-N 1 1 318.461 3.017 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCC[C@]3(CCCN(C)C3)C2)c(O)c1 ZINC001276806129 1094992487 /nfs/dbraw/zinc/99/24/87/1094992487.db2.gz HFDBVPVOCJCUMA-IBGZPJMESA-N 1 1 318.461 3.017 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001276814242 1095111904 /nfs/dbraw/zinc/11/19/04/1095111904.db2.gz FOZOZQONDAWVGO-LJQANCHMSA-N 1 1 318.461 3.099 20 10 DGCDMO CCOc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(O)c1 ZINC001276814242 1095111910 /nfs/dbraw/zinc/11/19/10/1095111910.db2.gz FOZOZQONDAWVGO-LJQANCHMSA-N 1 1 318.461 3.099 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCCN(C)C3)C2)c(O)c1 ZINC001276814242 1095111922 /nfs/dbraw/zinc/11/19/22/1095111922.db2.gz FOZOZQONDAWVGO-LJQANCHMSA-N 1 1 318.461 3.099 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@@]3(CCCN(C)C3)C2)c(O)c1 ZINC001276814242 1095111927 /nfs/dbraw/zinc/11/19/27/1095111927.db2.gz FOZOZQONDAWVGO-LJQANCHMSA-N 1 1 318.461 3.099 20 10 DGCDMO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc(N)cc1 ZINC001337838560 1095112112 /nfs/dbraw/zinc/11/21/12/1095112112.db2.gz PEUDSJMSHULDTJ-SFHVURJKSA-N 1 1 312.413 3.395 20 10 DGCDMO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc(N)cc1 ZINC001337838560 1095112119 /nfs/dbraw/zinc/11/21/19/1095112119.db2.gz PEUDSJMSHULDTJ-SFHVURJKSA-N 1 1 312.413 3.395 20 10 DGCDMO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc(N)cc1 ZINC001337838559 1095112163 /nfs/dbraw/zinc/11/21/63/1095112163.db2.gz PEUDSJMSHULDTJ-GOSISDBHSA-N 1 1 312.413 3.395 20 10 DGCDMO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc(N)cc1 ZINC001337838559 1095112170 /nfs/dbraw/zinc/11/21/70/1095112170.db2.gz PEUDSJMSHULDTJ-GOSISDBHSA-N 1 1 312.413 3.395 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(O)c(OC)c1 ZINC000194972481 1095168770 /nfs/dbraw/zinc/16/87/70/1095168770.db2.gz KCXZNIWHXBEJIX-UHFFFAOYSA-N 1 1 314.429 3.489 20 10 DGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222166638 1095471610 /nfs/dbraw/zinc/47/16/10/1095471610.db2.gz APMNPTADQVEGGE-GOSISDBHSA-N 1 1 324.415 3.416 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001116443587 1095554864 /nfs/dbraw/zinc/55/48/64/1095554864.db2.gz BPCWNSHOLWYHJX-IEBWSBKVSA-N 1 1 300.446 3.288 20 10 DGCDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001116444986 1095555564 /nfs/dbraw/zinc/55/55/64/1095555564.db2.gz KPTWBHNDRFFBDG-HZPDHXFCSA-N 1 1 319.468 3.198 20 10 DGCDMO COc1ccc(CN2CCC[C@]3(CCCC[NH2+]3)C2)c(O)c1Cl ZINC001222396236 1095593136 /nfs/dbraw/zinc/59/31/36/1095593136.db2.gz PENSMXZSRZNHDO-QGZVFWFLSA-N 1 1 324.852 3.162 20 10 DGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)c(O)c1 ZINC001144509456 1095698260 /nfs/dbraw/zinc/69/82/60/1095698260.db2.gz XBNHXVKVXXEVQO-HNNXBMFYSA-N 1 1 321.323 3.419 20 10 DGCDMO C[N@@H+](CCc1ccccc1Cl)Cc1c(O)cc(O)cc1O ZINC001144514667 1095701040 /nfs/dbraw/zinc/70/10/40/1095701040.db2.gz OBOQETKGIQIIHB-UHFFFAOYSA-N 1 1 307.777 3.131 20 10 DGCDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1c(O)ccc(F)c1Cl)C2 ZINC001276837291 1095749616 /nfs/dbraw/zinc/74/96/16/1095749616.db2.gz IIKNUKOBYPTPFZ-INIZCTEOSA-N 1 1 312.816 3.102 20 10 DGCDMO C[N@@H+]1CCC2(C1)CC[NH+](Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001276837119 1095749902 /nfs/dbraw/zinc/74/99/02/1095749902.db2.gz GGWHXBHAUMLJHG-UHFFFAOYSA-N 1 1 312.816 3.102 20 10 DGCDMO C[N@H+]1CCC2(C1)CC[NH+](Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001276837119 1095749914 /nfs/dbraw/zinc/74/99/14/1095749914.db2.gz GGWHXBHAUMLJHG-UHFFFAOYSA-N 1 1 312.816 3.102 20 10 DGCDMO Cc1ccc(C)c(N2CC[NH+](Cc3c(O)cccc3F)CC2)c1 ZINC001137831675 1095755841 /nfs/dbraw/zinc/75/58/41/1095755841.db2.gz JRVWPDPKSRLYQZ-UHFFFAOYSA-N 1 1 314.404 3.470 20 10 DGCDMO Cc1cc(F)ccc1N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137840132 1095760334 /nfs/dbraw/zinc/76/03/34/1095760334.db2.gz RVRWBWFPXJNNEI-UHFFFAOYSA-N 1 1 318.367 3.301 20 10 DGCDMO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)cccc1F ZINC001137841599 1095760818 /nfs/dbraw/zinc/76/08/18/1095760818.db2.gz LVUACRVXTZYWCI-UHFFFAOYSA-N 1 1 303.333 3.282 20 10 DGCDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)cccc1F ZINC001137841599 1095760831 /nfs/dbraw/zinc/76/08/31/1095760831.db2.gz LVUACRVXTZYWCI-UHFFFAOYSA-N 1 1 303.333 3.282 20 10 DGCDMO Oc1cccc(F)c1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001137841837 1095762044 /nfs/dbraw/zinc/76/20/44/1095762044.db2.gz XFLGJJBNBAWMTL-GASCZTMLSA-N 1 1 312.388 3.100 20 10 DGCDMO Oc1cccc(F)c1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001137841837 1095762052 /nfs/dbraw/zinc/76/20/52/1095762052.db2.gz XFLGJJBNBAWMTL-GASCZTMLSA-N 1 1 312.388 3.100 20 10 DGCDMO C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001117582778 1095782868 /nfs/dbraw/zinc/78/28/68/1095782868.db2.gz BALNORPQUOZHNN-FXAWDEMLSA-N 1 1 313.489 3.345 20 10 DGCDMO C[C@H]1[C@H](N2CCCC2)CC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001117582778 1095782880 /nfs/dbraw/zinc/78/28/80/1095782880.db2.gz BALNORPQUOZHNN-FXAWDEMLSA-N 1 1 313.489 3.345 20 10 DGCDMO C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc(F)c1[O-] ZINC001138128357 1095901449 /nfs/dbraw/zinc/90/14/49/1095901449.db2.gz FLIANHQVQQHFHI-HOTGVXAUSA-N 1 1 306.425 3.370 20 10 DGCDMO C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC001138128357 1095901458 /nfs/dbraw/zinc/90/14/58/1095901458.db2.gz FLIANHQVQQHFHI-HOTGVXAUSA-N 1 1 306.425 3.370 20 10 DGCDMO C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC001138128357 1095901470 /nfs/dbraw/zinc/90/14/70/1095901470.db2.gz FLIANHQVQQHFHI-HOTGVXAUSA-N 1 1 306.425 3.370 20 10 DGCDMO C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cccc(F)c1[O-] ZINC001138129541 1095901586 /nfs/dbraw/zinc/90/15/86/1095901586.db2.gz JPSGKSHEVCAJPA-UHFFFAOYSA-N 1 1 311.360 3.349 20 10 DGCDMO C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cccc(F)c1O ZINC001138129541 1095901597 /nfs/dbraw/zinc/90/15/97/1095901597.db2.gz JPSGKSHEVCAJPA-UHFFFAOYSA-N 1 1 311.360 3.349 20 10 DGCDMO C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cccc(F)c1O ZINC001138129541 1095901605 /nfs/dbraw/zinc/90/16/05/1095901605.db2.gz JPSGKSHEVCAJPA-UHFFFAOYSA-N 1 1 311.360 3.349 20 10 DGCDMO C[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(Cl)cc1O ZINC001118027232 1095923426 /nfs/dbraw/zinc/92/34/26/1095923426.db2.gz VPPKZFKUQRDIFK-CHWSQXEVSA-N 1 1 324.852 3.345 20 10 DGCDMO CCOc1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2ccc[nH]2)cc1 ZINC001276925995 1096079480 /nfs/dbraw/zinc/07/94/80/1096079480.db2.gz LHLGYTVBEVSBAN-OALUTQOASA-N 1 1 311.429 3.267 20 10 DGCDMO Oc1cccc(Br)c1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC001118855161 1096093388 /nfs/dbraw/zinc/09/33/88/1096093388.db2.gz AWLPTKOIGCPHLI-LBPRGKRZSA-N 1 1 322.206 3.045 20 10 DGCDMO COc1ccc(N2CC3(C2)CC[N@H+](C2CCCC2)C3)cc1F ZINC001277010934 1096326788 /nfs/dbraw/zinc/32/67/88/1096326788.db2.gz ZGTCUPJQCCKZKS-UHFFFAOYSA-N 1 1 304.409 3.289 20 10 DGCDMO CC[C@@](C)(C(=O)OC)[N@H+](Cc1ccc(N(C)C)cc1)CC1CC1 ZINC001171371681 1096546987 /nfs/dbraw/zinc/54/69/87/1096546987.db2.gz YQBKVHVPJRTOOB-IBGZPJMESA-N 1 1 318.461 3.306 20 10 DGCDMO Cc1cc(C)c(C(N)=O)c(NCc2cc3ccccc3cc2O)[nH+]1 ZINC001171399111 1096659431 /nfs/dbraw/zinc/65/94/31/1096659431.db2.gz CPZDELPDFLMFQI-UHFFFAOYSA-N 1 1 321.380 3.268 20 10 DGCDMO O=C1Cc2c[nH+]c(NCc3cc4ccccc4cc3O)cc2N1 ZINC001171399100 1096659704 /nfs/dbraw/zinc/65/97/04/1096659704.db2.gz CETAFWSADZFEKH-UHFFFAOYSA-N 1 1 305.337 3.047 20 10 DGCDMO Oc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)cc(Cl)c2cccnc12 ZINC001172218858 1097079602 /nfs/dbraw/zinc/07/96/02/1097079602.db2.gz FOPSWWQXVNHXKZ-YHWZYXNKSA-N 1 1 318.804 3.393 20 10 DGCDMO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172347185 1097120691 /nfs/dbraw/zinc/12/06/91/1097120691.db2.gz LJBWNFOBRPSKHC-KGLIPLIRSA-N 1 1 307.434 3.440 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172684400 1097207826 /nfs/dbraw/zinc/20/78/26/1097207826.db2.gz YFJFKSPNRVRAAN-GOSISDBHSA-N 1 1 324.424 3.015 20 10 DGCDMO C[N@H+]1C[C@@H]2CCN(Cc3cc(Cl)c(C(C)(C)C)cc3O)[C@@H]2C1 ZINC001277408600 1097361780 /nfs/dbraw/zinc/36/17/80/1097361780.db2.gz UQRRIDGCXDXLCJ-BLLLJJGKSA-N 1 1 322.880 3.479 20 10 DGCDMO CN1C[C@@H]2CC[N@H+](Cc3cc(Cl)c(C(C)(C)C)cc3O)[C@@H]2C1 ZINC001277408600 1097361782 /nfs/dbraw/zinc/36/17/82/1097361782.db2.gz UQRRIDGCXDXLCJ-BLLLJJGKSA-N 1 1 322.880 3.479 20 10 DGCDMO CN1C[C@@H]2CC[N@@H+](Cc3cc(Cl)c(C(C)(C)C)cc3O)[C@@H]2C1 ZINC001277408600 1097361786 /nfs/dbraw/zinc/36/17/86/1097361786.db2.gz UQRRIDGCXDXLCJ-BLLLJJGKSA-N 1 1 322.880 3.479 20 10 DGCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)[C@H]1C ZINC001231590349 1097785118 /nfs/dbraw/zinc/78/51/18/1097785118.db2.gz VLNVKRNQAUGCRS-ZFWWWQNUSA-N 1 1 313.397 3.319 20 10 DGCDMO COC(=O)CC[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231590058 1097785541 /nfs/dbraw/zinc/78/55/41/1097785541.db2.gz HDVYOGDJVUSPMU-AWEZNQCLSA-N 1 1 313.397 3.321 20 10 DGCDMO Cc1cccc(C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1O ZINC001231593429 1097787224 /nfs/dbraw/zinc/78/72/24/1097787224.db2.gz XSMCQEHETYQVRR-QGZVFWFLSA-N 1 1 301.361 3.493 20 10 DGCDMO Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001231591130 1097787257 /nfs/dbraw/zinc/78/72/57/1097787257.db2.gz VJGSLIUGMOVVBB-HZUKXOBISA-N 1 1 323.314 3.449 20 10 DGCDMO Oc1ccc2ccccc2c1C[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001231591130 1097787263 /nfs/dbraw/zinc/78/72/63/1097787263.db2.gz VJGSLIUGMOVVBB-HZUKXOBISA-N 1 1 323.314 3.449 20 10 DGCDMO Cc1cccc(C[N@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)c1O ZINC001231593943 1097787413 /nfs/dbraw/zinc/78/74/13/1097787413.db2.gz PLDZOXLNHGECOH-KRWDZBQOSA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1cc(C)c(C[N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c(O)c1 ZINC001231841342 1097860322 /nfs/dbraw/zinc/86/03/22/1097860322.db2.gz ALUSTOZCYDBDFR-SJORKVTESA-N 1 1 322.408 3.177 20 10 DGCDMO Cc1cc(C)c(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c(O)c1 ZINC001231842232 1097860650 /nfs/dbraw/zinc/86/06/50/1097860650.db2.gz LCLJSLLSPCSLKC-ZIAGYGMSSA-N 1 1 317.351 3.144 20 10 DGCDMO COC(=O)CC[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870730 1097872326 /nfs/dbraw/zinc/87/23/26/1097872326.db2.gz QRPRCDFEWFHUMN-LBPRGKRZSA-N 1 1 311.809 3.129 20 10 DGCDMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231881727 1097877073 /nfs/dbraw/zinc/87/70/73/1097877073.db2.gz BHUJYXDVWGFWDW-MRXNPFEDSA-N 1 1 312.413 3.036 20 10 DGCDMO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231882745 1097878894 /nfs/dbraw/zinc/87/88/94/1097878894.db2.gz UJVIVRJDCNTASP-QGZVFWFLSA-N 1 1 313.397 3.463 20 10 DGCDMO Oc1cccc2c1C[N@H+](Cc1ccnc(C(F)(F)F)c1)CC2 ZINC001232239863 1097979259 /nfs/dbraw/zinc/97/92/59/1097979259.db2.gz ANUASLBEVZLCJL-UHFFFAOYSA-N 1 1 308.303 3.364 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1ccnc(C(F)(F)F)c1)CC2 ZINC001232239863 1097979262 /nfs/dbraw/zinc/97/92/62/1097979262.db2.gz ANUASLBEVZLCJL-UHFFFAOYSA-N 1 1 308.303 3.364 20 10 DGCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)cc1Cl ZINC001232258965 1097985115 /nfs/dbraw/zinc/98/51/15/1097985115.db2.gz FRIZCOGQCVYDFK-GFCCVEGCSA-N 1 1 309.715 3.320 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)cc1Cl ZINC001232266093 1097986869 /nfs/dbraw/zinc/98/68/69/1097986869.db2.gz ISCSGOXMSFRYGQ-BDJLRTHQSA-N 1 1 311.809 3.055 20 10 DGCDMO COc1cc(O)c(C[N@@H+]2CCOc3ccccc3C2)cc1Cl ZINC001232265191 1097987195 /nfs/dbraw/zinc/98/71/95/1097987195.db2.gz QXKFHZXEANVEPL-UHFFFAOYSA-N 1 1 319.788 3.449 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCOc3ccccc3C2)cc1Cl ZINC001232265191 1097987197 /nfs/dbraw/zinc/98/71/97/1097987197.db2.gz QXKFHZXEANVEPL-UHFFFAOYSA-N 1 1 319.788 3.449 20 10 DGCDMO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cnccn2)cc1Cl ZINC001232270065 1097988502 /nfs/dbraw/zinc/98/85/02/1097988502.db2.gz RPLQJTQLYCKVBC-CQSZACIVSA-N 1 1 319.792 3.181 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2cnccn2)cc1Cl ZINC001232270065 1097988505 /nfs/dbraw/zinc/98/85/05/1097988505.db2.gz RPLQJTQLYCKVBC-CQSZACIVSA-N 1 1 319.792 3.181 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(OC)cc1C ZINC001232353506 1098012353 /nfs/dbraw/zinc/01/23/53/1098012353.db2.gz BMXSBQKXEFSQMP-UHFFFAOYSA-N 1 1 313.445 3.487 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CCCC[C@H]2C)c2ccccc2n1C ZINC001232401039 1098028730 /nfs/dbraw/zinc/02/87/30/1098028730.db2.gz DVPVZUOGQASQFN-CYBMUJFWSA-N 1 1 300.402 3.339 20 10 DGCDMO Oc1cc2c(cc1O)C[N@H+](Cc1cc3ccoc3cn1)CCC2 ZINC001232555869 1098075867 /nfs/dbraw/zinc/07/58/67/1098075867.db2.gz DMDBJHZSMDAIJC-UHFFFAOYSA-N 1 1 310.353 3.187 20 10 DGCDMO Oc1cc2c(cc1O)C[N@@H+](Cc1cc3ccoc3cn1)CCC2 ZINC001232555869 1098075876 /nfs/dbraw/zinc/07/58/76/1098075876.db2.gz DMDBJHZSMDAIJC-UHFFFAOYSA-N 1 1 310.353 3.187 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(F)c2F)c(O)c1 ZINC001232840505 1098150254 /nfs/dbraw/zinc/15/02/54/1098150254.db2.gz BPWRBNXYPKNRNV-UHFFFAOYSA-N 1 1 306.356 3.368 20 10 DGCDMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(O)c(O)c(O)c2)c1 ZINC001233016706 1098203824 /nfs/dbraw/zinc/20/38/24/1098203824.db2.gz LMRQSSBCCORFKE-HNNXBMFYSA-N 1 1 315.369 3.149 20 10 DGCDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cc(O)c(O)c(O)c2)c1 ZINC001233016706 1098203830 /nfs/dbraw/zinc/20/38/30/1098203830.db2.gz LMRQSSBCCORFKE-HNNXBMFYSA-N 1 1 315.369 3.149 20 10 DGCDMO COc1cc(O)c(C[NH+]2CC3(CCC3)C2)cc1Br ZINC001233137497 1098235419 /nfs/dbraw/zinc/23/54/19/1098235419.db2.gz PGDPIFQQLHLFAL-UHFFFAOYSA-N 1 1 312.207 3.149 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(O)c1OC ZINC001233258030 1098266091 /nfs/dbraw/zinc/26/60/91/1098266091.db2.gz NSSYAXXEDDMZCJ-UHFFFAOYSA-N 1 1 314.429 3.489 20 10 DGCDMO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284538 1098275227 /nfs/dbraw/zinc/27/52/27/1098275227.db2.gz YWLQQAJYIRKCDT-HNNXBMFYSA-N 1 1 305.418 3.217 20 10 DGCDMO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284538 1098275230 /nfs/dbraw/zinc/27/52/30/1098275230.db2.gz YWLQQAJYIRKCDT-HNNXBMFYSA-N 1 1 305.418 3.217 20 10 DGCDMO Cc1noc([C@@H]2CC[N@@H+](Cc3cc(C(C)(C)C)ccc3O)C2)n1 ZINC001233286727 1098276549 /nfs/dbraw/zinc/27/65/49/1098276549.db2.gz GUJHQVOSOPYBCX-CYBMUJFWSA-N 1 1 315.417 3.371 20 10 DGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001233334562 1098291972 /nfs/dbraw/zinc/29/19/72/1098291972.db2.gz LWNVSKVXOXZCCM-LBPRGKRZSA-N 1 1 304.340 3.445 20 10 DGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001233334562 1098291975 /nfs/dbraw/zinc/29/19/75/1098291975.db2.gz LWNVSKVXOXZCCM-LBPRGKRZSA-N 1 1 304.340 3.445 20 10 DGCDMO Cc1ccc(O[C@H]2CC[N@H+](Cc3c(O)ccc(F)c3F)C2)nc1 ZINC001233336478 1098293976 /nfs/dbraw/zinc/29/39/76/1098293976.db2.gz NGCLPKDEIVARRF-LBPRGKRZSA-N 1 1 320.339 3.027 20 10 DGCDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(O)ccc(F)c3F)C2)nc1 ZINC001233336478 1098293983 /nfs/dbraw/zinc/29/39/83/1098293983.db2.gz NGCLPKDEIVARRF-LBPRGKRZSA-N 1 1 320.339 3.027 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@@]1(C)O ZINC001233415785 1098323083 /nfs/dbraw/zinc/32/30/83/1098323083.db2.gz IQTQFLUHGJCCBC-QMTHXVAHSA-N 1 1 303.324 3.004 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@@]1(C)O ZINC001233415785 1098323089 /nfs/dbraw/zinc/32/30/89/1098323089.db2.gz IQTQFLUHGJCCBC-QMTHXVAHSA-N 1 1 303.324 3.004 20 10 DGCDMO C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418236 1098324195 /nfs/dbraw/zinc/32/41/95/1098324195.db2.gz YLCJCQRYNLWXPJ-UHFFFAOYSA-N 1 1 316.367 3.329 20 10 DGCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC001233451811 1098338153 /nfs/dbraw/zinc/33/81/53/1098338153.db2.gz AASSMWYKPCILHK-CQSZACIVSA-N 1 1 301.308 3.023 20 10 DGCDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233451906 1098338201 /nfs/dbraw/zinc/33/82/01/1098338201.db2.gz CYTXMTJCVRWSHE-ZDUSSCGKSA-N 1 1 303.324 3.412 20 10 DGCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001233451887 1098338878 /nfs/dbraw/zinc/33/88/78/1098338878.db2.gz CNRXKIJBUZEJGV-OAHLLOKOSA-N 1 1 315.335 3.414 20 10 DGCDMO CC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233455055 1098339941 /nfs/dbraw/zinc/33/99/41/1098339941.db2.gz UMRHGNSCDZRFIB-CYBMUJFWSA-N 1 1 301.308 3.355 20 10 DGCDMO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001233454342 1098340844 /nfs/dbraw/zinc/34/08/44/1098340844.db2.gz QUBURXXNJHDFSF-BETUJISGSA-N 1 1 313.319 3.497 20 10 DGCDMO O=C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001233454342 1098340853 /nfs/dbraw/zinc/34/08/53/1098340853.db2.gz QUBURXXNJHDFSF-BETUJISGSA-N 1 1 313.319 3.497 20 10 DGCDMO CC[N@H+](Cc1cc(O)c(O)cc1O)Cc1cccc(F)c1F ZINC001233486907 1098346954 /nfs/dbraw/zinc/34/69/54/1098346954.db2.gz HUVGYHGSQANBKE-UHFFFAOYSA-N 1 1 309.312 3.104 20 10 DGCDMO CC[N@@H+](Cc1cc(O)c(O)cc1O)Cc1cccc(F)c1F ZINC001233486907 1098346960 /nfs/dbraw/zinc/34/69/60/1098346960.db2.gz HUVGYHGSQANBKE-UHFFFAOYSA-N 1 1 309.312 3.104 20 10 DGCDMO CC[N@@H+](Cc1cccc(Cl)c1)Cc1cc(O)c(O)cc1O ZINC001233486974 1098347901 /nfs/dbraw/zinc/34/79/01/1098347901.db2.gz KGEWMVXBMLTOID-UHFFFAOYSA-N 1 1 307.777 3.479 20 10 DGCDMO CC1(C)[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]21 ZINC001233761788 1098425423 /nfs/dbraw/zinc/42/54/23/1098425423.db2.gz YXCKTCBVUZSYFF-PHIMTYICSA-N 1 1 301.308 3.379 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+]3Cc4ccncc4C3)c2c1 ZINC001234552756 1098596788 /nfs/dbraw/zinc/59/67/88/1098596788.db2.gz GTHBWPVUYJDENR-UHFFFAOYSA-N 1 1 306.365 3.465 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3Cc4ccncc4C3)c2c1 ZINC001234552756 1098596799 /nfs/dbraw/zinc/59/67/99/1098596799.db2.gz GTHBWPVUYJDENR-UHFFFAOYSA-N 1 1 306.365 3.465 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001177822478 1098607638 /nfs/dbraw/zinc/60/76/38/1098607638.db2.gz KKWMLGGNOSQWAV-MRVPVSSYSA-N 1 1 319.311 3.103 20 10 DGCDMO Oc1c(CN2CC[N@H+]3CCC[C@@H]3C2)cccc1-c1ccccc1 ZINC001234995583 1098738618 /nfs/dbraw/zinc/73/86/18/1098738618.db2.gz NXQYFUSDYRKKDF-GOSISDBHSA-N 1 1 308.425 3.339 20 10 DGCDMO Oc1c(C[N@@H+]2CCN3CCC[C@@H]3C2)cccc1-c1ccccc1 ZINC001234995583 1098738627 /nfs/dbraw/zinc/73/86/27/1098738627.db2.gz NXQYFUSDYRKKDF-GOSISDBHSA-N 1 1 308.425 3.339 20 10 DGCDMO Oc1c(C[N@H+]2CCN3CCC[C@@H]3C2)cccc1-c1ccccc1 ZINC001234995583 1098738638 /nfs/dbraw/zinc/73/86/38/1098738638.db2.gz NXQYFUSDYRKKDF-GOSISDBHSA-N 1 1 308.425 3.339 20 10 DGCDMO CN1C[C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3O)C[C@@H]2C1 ZINC001234996682 1098740020 /nfs/dbraw/zinc/74/00/20/1098740020.db2.gz MFXCUZHYVNVVRX-HDICACEKSA-N 1 1 308.425 3.053 20 10 DGCDMO CN1C[C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3O)C[C@@H]2C1 ZINC001234996682 1098740030 /nfs/dbraw/zinc/74/00/30/1098740030.db2.gz MFXCUZHYVNVVRX-HDICACEKSA-N 1 1 308.425 3.053 20 10 DGCDMO Oc1c(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)cccc1-c1ccccc1 ZINC001235002486 1098745276 /nfs/dbraw/zinc/74/52/76/1098745276.db2.gz QNZSWAHSSBFSKL-QZTJIDSGSA-N 1 1 315.388 3.354 20 10 DGCDMO CN1CCCc2cc(CN3CCC[C@]4(CCC[NH2+]4)CC3)ccc21 ZINC001235042336 1098769813 /nfs/dbraw/zinc/76/98/13/1098769813.db2.gz ALQVYVFNNMYFMR-HXUWFJFHSA-N 1 1 313.489 3.177 20 10 DGCDMO C[C@@]1(C[NH3+])CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001206326978 1098805424 /nfs/dbraw/zinc/80/54/24/1098805424.db2.gz RBUIFZKFOFOFJA-OAHLLOKOSA-N 1 1 300.805 3.136 20 10 DGCDMO C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001206326978 1098805434 /nfs/dbraw/zinc/80/54/34/1098805434.db2.gz RBUIFZKFOFOFJA-OAHLLOKOSA-N 1 1 300.805 3.136 20 10 DGCDMO [O-]c1cc(F)cc(F)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152216 1098836731 /nfs/dbraw/zinc/83/67/31/1098836731.db2.gz DUOSYKWDHWBSLQ-MRXNPFEDSA-N 1 1 310.388 3.025 20 10 DGCDMO Cc1cc(O)c(CN2CCCCC23CC[NH2+]CC3)cc1Cl ZINC001235190554 1098868142 /nfs/dbraw/zinc/86/81/42/1098868142.db2.gz VTFVJXHCPYRZRH-UHFFFAOYSA-N 1 1 308.853 3.462 20 10 DGCDMO Cc1cccc(CN2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c1O ZINC001235251506 1098925183 /nfs/dbraw/zinc/92/51/83/1098925183.db2.gz UEGXAPBJUONHOB-TZIWHRDSSA-N 1 1 322.452 3.422 20 10 DGCDMO Cc1cccc(O)c1CN1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235255004 1098927180 /nfs/dbraw/zinc/92/71/80/1098927180.db2.gz TUJSFBQUTHLNKQ-TZIWHRDSSA-N 1 1 322.452 3.422 20 10 DGCDMO CN(C)c1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ccccc21 ZINC001235270907 1098940537 /nfs/dbraw/zinc/94/05/37/1098940537.db2.gz NTBUSHNVBBLLEZ-VQIMIIECSA-N 1 1 309.457 3.090 20 10 DGCDMO CC(C)(C)c1cc([O-])c(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1Cl ZINC001235340812 1098964309 /nfs/dbraw/zinc/96/43/09/1098964309.db2.gz MNNHSWGFNXRZQY-GFCCVEGCSA-N 1 1 322.880 3.384 20 10 DGCDMO CC(C)(C)c1cc([O-])c(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1Cl ZINC001235340812 1098964316 /nfs/dbraw/zinc/96/43/16/1098964316.db2.gz MNNHSWGFNXRZQY-GFCCVEGCSA-N 1 1 322.880 3.384 20 10 DGCDMO Cc1c2ccccc2n(C)c1C[NH2+]C1(c2ncccn2)CCC1 ZINC001179448023 1099097295 /nfs/dbraw/zinc/09/72/95/1099097295.db2.gz VJJRLYBOKCXQIX-UHFFFAOYSA-N 1 1 306.413 3.446 20 10 DGCDMO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235673870 1099116105 /nfs/dbraw/zinc/11/61/05/1099116105.db2.gz ASELAOOWEHHXGK-UKRRQHHQSA-N 1 1 319.445 3.463 20 10 DGCDMO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(C(C)(C)C)cc1O ZINC001235681714 1099124538 /nfs/dbraw/zinc/12/45/38/1099124538.db2.gz JFJHVTUFFBYLSQ-BEFAXECRSA-N 1 1 317.429 3.217 20 10 DGCDMO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1ccc(C(C)(C)C)cc1O ZINC001235681714 1099124541 /nfs/dbraw/zinc/12/45/41/1099124541.db2.gz JFJHVTUFFBYLSQ-BEFAXECRSA-N 1 1 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COC(=O)c1oc([C@@H](C)[N@@H+](C)Cc2ccccc2O)cc1C ZINC000091619334 193079437 /nfs/dbraw/zinc/07/94/37/193079437.db2.gz MPAUFGJRZFIUCB-GFCCVEGCSA-N 1 1 303.358 3.273 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1O ZINC000183212070 533483718 /nfs/dbraw/zinc/48/37/18/533483718.db2.gz GTRQSQRMHLODAT-MRXNPFEDSA-N 1 1 317.360 3.193 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCc1cscn1)C[C@@H]1CCCO1 ZINC000283892740 131031441 /nfs/dbraw/zinc/03/14/41/131031441.db2.gz JCIONJVPEHVSQR-INIZCTEOSA-N 1 1 318.442 3.072 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000284267088 131064685 /nfs/dbraw/zinc/06/46/85/131064685.db2.gz GRTAHIVDFASVKA-KGLIPLIRSA-N 1 1 316.228 3.417 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1O ZINC000284927539 131123833 /nfs/dbraw/zinc/12/38/33/131123833.db2.gz GTQSVGNZBHWHMR-ZIAGYGMSSA-N 1 1 311.809 3.198 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c(O)c1 ZINC000285021604 131131954 /nfs/dbraw/zinc/13/19/54/131131954.db2.gz KAEVDTDHNOWZMU-SJLPKXTDSA-N 1 1 305.418 3.324 20 10 DGCDMO CCOC1CC(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000285519782 131176475 /nfs/dbraw/zinc/17/64/75/131176475.db2.gz GIYZHSVJNZEUNJ-IIIMJFFVSA-N 1 1 319.445 3.188 20 10 DGCDMO CC[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(F)cc1O ZINC000285621295 131187433 /nfs/dbraw/zinc/18/74/33/131187433.db2.gz KUEZEOCINIEOPP-HNNXBMFYSA-N 1 1 303.381 3.233 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(F)cc1O ZINC000286337737 131231750 /nfs/dbraw/zinc/23/17/50/131231750.db2.gz YRAWWVKVDLVCAA-UKRRQHHQSA-N 1 1 309.381 3.258 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000366659338 131313676 /nfs/dbraw/zinc/31/36/76/131313676.db2.gz XGJIJNXLDZUUSW-QWHCGFSZSA-N 1 1 323.820 3.107 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000289641121 131403626 /nfs/dbraw/zinc/40/36/26/131403626.db2.gz SMSMROOPPZMUEQ-ROUUACIJSA-N 1 1 300.446 3.286 20 10 DGCDMO COc1ccc(N2CCC[N@H+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000066422923 400088114 /nfs/dbraw/zinc/08/81/14/400088114.db2.gz NXVSMPYUDOOTPR-UHFFFAOYSA-N 1 1 315.417 3.012 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000066422923 400088117 /nfs/dbraw/zinc/08/81/17/400088117.db2.gz NXVSMPYUDOOTPR-UHFFFAOYSA-N 1 1 315.417 3.012 20 10 DGCDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc(C)c(C)cc2O)cc1 ZINC000093415463 400246180 /nfs/dbraw/zinc/24/61/80/400246180.db2.gz HCOKZZMAFAKCNA-GOSISDBHSA-N 1 1 315.413 3.183 20 10 DGCDMO Cc1ccncc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269673338 432195974 /nfs/dbraw/zinc/19/59/74/432195974.db2.gz YAVCCZBSLAWQPX-SFHVURJKSA-N 1 1 312.413 3.277 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCSC[C@H](C)C2)c1O ZINC000190845456 277378935 /nfs/dbraw/zinc/37/89/35/277378935.db2.gz AOCDMXKRUGGYEM-SNVBAGLBSA-N 1 1 301.839 3.239 20 10 DGCDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)c(F)c1 ZINC000111235096 431198922 /nfs/dbraw/zinc/19/89/22/431198922.db2.gz MMHPMDKYABSAKN-ZDUSSCGKSA-N 1 1 316.376 3.299 20 10 DGCDMO CCC[N@@H+](Cc1c(C)nn(C)c1Cl)Cc1ccccc1O ZINC000076074369 431524289 /nfs/dbraw/zinc/52/42/89/431524289.db2.gz XSRLHPOBNCPWRQ-UHFFFAOYSA-N 1 1 307.825 3.500 20 10 DGCDMO CCCOc1ccc(CN2CC[C@@H](C[N@H+](C)CCC)C2)c(O)c1 ZINC000093742339 431917081 /nfs/dbraw/zinc/91/70/81/431917081.db2.gz BQSPBLJIZBMYDX-INIZCTEOSA-N 1 1 320.477 3.345 20 10 DGCDMO CCCOc1ccc(CN2CC[C@@H](C[N@@H+](C)CCC)C2)c(O)c1 ZINC000093742339 431917082 /nfs/dbraw/zinc/91/70/82/431917082.db2.gz BQSPBLJIZBMYDX-INIZCTEOSA-N 1 1 320.477 3.345 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@@H](C)c2nccs2)c1 ZINC000183253821 432274776 /nfs/dbraw/zinc/27/47/76/432274776.db2.gz IQWPHGNFWVDPHS-GFCCVEGCSA-N 1 1 306.431 3.483 20 10 DGCDMO CCOCCCN1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)[C@H](C)C1 ZINC000183515060 432298758 /nfs/dbraw/zinc/29/87/58/432298758.db2.gz KVLBRBOPCKJWIC-SOLBZPMBSA-N 1 1 320.477 3.180 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000271046491 432320802 /nfs/dbraw/zinc/32/08/02/432320802.db2.gz QVHKEHSDFGRCEQ-LJQANCHMSA-N 1 1 313.397 3.364 20 10 DGCDMO COc1cccc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1O ZINC000271133999 432334971 /nfs/dbraw/zinc/33/49/71/432334971.db2.gz LLUWGIGYLMUZLO-SFHVURJKSA-N 1 1 313.397 3.147 20 10 DGCDMO CCc1nnc([C@@H](C)[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)[nH]1 ZINC000271443594 432397575 /nfs/dbraw/zinc/39/75/75/432397575.db2.gz FKTXFCXTMJXBLY-DOMZBBRYSA-N 1 1 301.438 3.235 20 10 DGCDMO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192922965 432429055 /nfs/dbraw/zinc/42/90/55/432429055.db2.gz XOGVJDVRIZOQAW-MRXNPFEDSA-N 1 1 314.404 3.143 20 10 DGCDMO COc1ccc(O)c([C@@H](C)NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000192952729 432433864 /nfs/dbraw/zinc/43/38/64/432433864.db2.gz LBPHKOZSQDCEKT-PBHICJAKSA-N 1 1 306.450 3.172 20 10 DGCDMO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1cc(Cl)c(Cl)cc1O ZINC000192762491 432410635 /nfs/dbraw/zinc/41/06/35/432410635.db2.gz ZKLAZDOKLVRTCO-SECBINFHSA-N 1 1 319.232 3.218 20 10 DGCDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cccc(Cl)c2[O-])cc1 ZINC000271780362 432424305 /nfs/dbraw/zinc/42/43/05/432424305.db2.gz HPWWRRJIUHZPTC-MRXNPFEDSA-N 1 1 321.804 3.220 20 10 DGCDMO CO[C@H](C)c1nc(CNCc2cccc(Cl)c2[O-])cs1 ZINC000271840951 432427157 /nfs/dbraw/zinc/42/71/57/432427157.db2.gz QXGGDWQUYQWKSV-SECBINFHSA-N 1 1 312.822 3.499 20 10 DGCDMO C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(N2CCCCC2)cc1 ZINC000155247884 432546302 /nfs/dbraw/zinc/54/63/02/432546302.db2.gz HXIGNNVRFXEEPI-UHFFFAOYSA-N 1 1 314.429 3.394 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)CC(C)(C)OC)c1 ZINC000273465322 432602302 /nfs/dbraw/zinc/60/23/02/432602302.db2.gz DQNJCAONSXECKN-NEPJUHHUSA-N 1 1 309.406 3.033 20 10 DGCDMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000264659546 432661966 /nfs/dbraw/zinc/66/19/66/432661966.db2.gz YNLQKNRGNDAHLV-CYBMUJFWSA-N 1 1 317.458 3.139 20 10 DGCDMO C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215585 432724475 /nfs/dbraw/zinc/72/44/75/432724475.db2.gz BTQBJKINLQTVMY-FXAWDEMLSA-N 1 1 315.505 3.449 20 10 DGCDMO CN(C)c1ccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1 ZINC000187656830 432674557 /nfs/dbraw/zinc/67/45/57/432674557.db2.gz ZDOOCGMUPHSKEO-UHFFFAOYSA-N 1 1 314.351 3.096 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000278240746 432890125 /nfs/dbraw/zinc/89/01/25/432890125.db2.gz NUADWDQMXDEXNV-WCQYABFASA-N 1 1 306.362 3.074 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000278240746 432890128 /nfs/dbraw/zinc/89/01/28/432890128.db2.gz NUADWDQMXDEXNV-WCQYABFASA-N 1 1 306.362 3.074 20 10 DGCDMO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)[nH]1 ZINC000277489541 432854828 /nfs/dbraw/zinc/85/48/28/432854828.db2.gz UCYXNTCDEPXISY-YPMHNXCESA-N 1 1 302.422 3.486 20 10 DGCDMO CCOc1ccc(O)c(C[NH2+]Cc2nnc(C(C)(C)C)s2)c1 ZINC000268232779 432857699 /nfs/dbraw/zinc/85/76/99/432857699.db2.gz UYVKMLWBDHKBBU-UHFFFAOYSA-N 1 1 321.446 3.230 20 10 DGCDMO CCCC[N@H+](Cc1nn(CC)nc1C)Cc1ccccc1O ZINC000296686947 432925208 /nfs/dbraw/zinc/92/52/08/432925208.db2.gz HEMDZXSGQNQUSN-UHFFFAOYSA-N 1 1 302.422 3.114 20 10 DGCDMO CCCC[N@@H+](Cc1nn(CC)nc1C)Cc1ccccc1O ZINC000296686947 432925211 /nfs/dbraw/zinc/92/52/11/432925211.db2.gz HEMDZXSGQNQUSN-UHFFFAOYSA-N 1 1 302.422 3.114 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2nc(C)no2)c1 ZINC000289666638 432971729 /nfs/dbraw/zinc/97/17/29/432971729.db2.gz DDIQQXVBNPOHTP-HNNXBMFYSA-N 1 1 317.389 3.210 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2nc(C)no2)c1 ZINC000289666638 432971731 /nfs/dbraw/zinc/97/17/31/432971731.db2.gz DDIQQXVBNPOHTP-HNNXBMFYSA-N 1 1 317.389 3.210 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289814555 432975241 /nfs/dbraw/zinc/97/52/41/432975241.db2.gz SZKVJCCVUWCWCP-ZDUSSCGKSA-N 1 1 323.742 3.325 20 10 DGCDMO CCC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000290232685 433016375 /nfs/dbraw/zinc/01/63/75/433016375.db2.gz SZWGKXFSAWWXLR-INIZCTEOSA-N 1 1 313.825 3.039 20 10 DGCDMO CN1CCC([N@H+](Cc2ccco2)Cc2cc(F)ccc2O)CC1 ZINC000290599134 433114584 /nfs/dbraw/zinc/11/45/84/433114584.db2.gz VTSZHDBYUPCNRW-UHFFFAOYSA-N 1 1 318.392 3.221 20 10 DGCDMO CN1CCC([N@@H+](Cc2ccco2)Cc2cc(F)ccc2O)CC1 ZINC000290599134 433114594 /nfs/dbraw/zinc/11/45/94/433114594.db2.gz VTSZHDBYUPCNRW-UHFFFAOYSA-N 1 1 318.392 3.221 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)c1O ZINC000290913337 433204810 /nfs/dbraw/zinc/20/48/10/433204810.db2.gz NEMFXVNZGKKPKX-AWEZNQCLSA-N 1 1 321.808 3.006 20 10 DGCDMO OC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCC1(F)F ZINC000291317086 433235319 /nfs/dbraw/zinc/23/53/19/433235319.db2.gz SGADJDFJIVMZTN-INIZCTEOSA-N 1 1 324.415 3.126 20 10 DGCDMO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1c1ccncc1 ZINC000292353692 433559478 /nfs/dbraw/zinc/55/94/78/433559478.db2.gz FGQMMXOFFVJRIH-KRWDZBQOSA-N 1 1 312.369 3.099 20 10 DGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]1c1ccncc1 ZINC000292353692 433559489 /nfs/dbraw/zinc/55/94/89/433559489.db2.gz FGQMMXOFFVJRIH-KRWDZBQOSA-N 1 1 312.369 3.099 20 10 DGCDMO Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293640361 433809893 /nfs/dbraw/zinc/80/98/93/433809893.db2.gz NYRPTOQWLNXQIQ-UHFFFAOYSA-N 1 1 311.788 3.260 20 10 DGCDMO CS[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000295036202 434164947 /nfs/dbraw/zinc/16/49/47/434164947.db2.gz MCJJCDWEZIRYBJ-LLVKDONJSA-N 1 1 302.237 3.092 20 10 DGCDMO C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000295828949 434441642 /nfs/dbraw/zinc/44/16/42/434441642.db2.gz DUXTXSUYVVCXKO-DOTOQJQBSA-N 1 1 302.462 3.481 20 10 DGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000296048934 434491590 /nfs/dbraw/zinc/49/15/90/434491590.db2.gz UZKALJKLAVBEEU-DJXYKJKZSA-N 1 1 301.478 3.419 20 10 DGCDMO CCN(C)c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000296048939 434492227 /nfs/dbraw/zinc/49/22/27/434492227.db2.gz UZKALJKLAVBEEU-NMACRGETSA-N 1 1 301.478 3.419 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3cnccc3C)CC2)cc1 ZINC000372191127 434809485 /nfs/dbraw/zinc/80/94/85/434809485.db2.gz GCGLXPRQAMGLJX-UHFFFAOYSA-N 1 1 311.429 3.111 20 10 DGCDMO OCCCC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293513244 335111207 /nfs/dbraw/zinc/11/12/07/335111207.db2.gz CHRJMJDWBLSAIU-UHFFFAOYSA-N 1 1 301.789 3.169 20 10 DGCDMO COC[C@@H]1CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000293532875 334198752 /nfs/dbraw/zinc/19/87/52/334198752.db2.gz BZQXHTRUFZSANO-KRWDZBQOSA-N 1 1 313.397 3.192 20 10 DGCDMO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158042833 518588559 /nfs/dbraw/zinc/58/85/59/518588559.db2.gz LFSBEJPXDCNXII-AWEZNQCLSA-N 1 1 324.852 3.172 20 10 DGCDMO CC[N@@H+](CCC(C)(C)O)Cc1cc(Br)ccc1O ZINC000267353634 520995081 /nfs/dbraw/zinc/99/50/81/520995081.db2.gz BJYQEFAFHOVECS-UHFFFAOYSA-N 1 1 316.239 3.138 20 10 DGCDMO CCC[N@H+](Cc1cn(C(C)(C)C)nn1)Cc1ccccc1O ZINC000191290054 521691846 /nfs/dbraw/zinc/69/18/46/521691846.db2.gz RJSKHVAMQOERMR-UHFFFAOYSA-N 1 1 302.422 3.151 20 10 DGCDMO CCC[N@@H+](Cc1cn(C(C)(C)C)nn1)Cc1ccccc1O ZINC000191290054 521691847 /nfs/dbraw/zinc/69/18/47/521691847.db2.gz RJSKHVAMQOERMR-UHFFFAOYSA-N 1 1 302.422 3.151 20 10 DGCDMO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(N(C)C)cc2)cs1 ZINC000267633533 523914836 /nfs/dbraw/zinc/91/48/36/523914836.db2.gz OQWIXDOCBCQRAW-GFCCVEGCSA-N 1 1 305.447 3.206 20 10 DGCDMO COc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000180024361 524741375 /nfs/dbraw/zinc/74/13/75/524741375.db2.gz COPBMBARORTQFO-SFHVURJKSA-N 1 1 317.360 3.113 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000180024361 524741382 /nfs/dbraw/zinc/74/13/82/524741382.db2.gz COPBMBARORTQFO-SFHVURJKSA-N 1 1 317.360 3.113 20 10 DGCDMO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272282753 534871113 /nfs/dbraw/zinc/87/11/13/534871113.db2.gz MVUNPIVFCIPFDJ-UHFFFAOYSA-N 1 1 324.396 3.020 20 10 DGCDMO c1cc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000367722933 526438491 /nfs/dbraw/zinc/43/84/91/526438491.db2.gz BYZDUMUHELNEPC-HXUWFJFHSA-N 1 1 323.440 3.255 20 10 DGCDMO Cc1nn(C)cc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000156479391 527691714 /nfs/dbraw/zinc/69/17/14/527691714.db2.gz CMZJXBJNHJLNBS-UHFFFAOYSA-N 1 1 312.461 3.351 20 10 DGCDMO CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1cccc(Cl)c1[O-] ZINC000287899367 535803590 /nfs/dbraw/zinc/80/35/90/535803590.db2.gz ZMPVTFBDSGDCPZ-OAHLLOKOSA-N 1 1 314.857 3.055 20 10 DGCDMO CC[C@H]([NH2+]CCCC(=O)N(CC)CC)c1ccc(F)cc1O ZINC000285887348 535900417 /nfs/dbraw/zinc/90/04/17/535900417.db2.gz ZVWYSKGYVCVVPF-HNNXBMFYSA-N 1 1 310.413 3.221 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(F)cc1O ZINC000285524856 535935533 /nfs/dbraw/zinc/93/55/33/535935533.db2.gz BHIWLCYARCEWNN-BJJXKVORSA-N 1 1 322.424 3.219 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(F)cc1O ZINC000286080791 535937595 /nfs/dbraw/zinc/93/75/95/535937595.db2.gz LNOVCNOFXXNVIF-ZBFHGGJFSA-N 1 1 315.392 3.246 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c1 ZINC000273497784 536793362 /nfs/dbraw/zinc/79/33/62/536793362.db2.gz YDPKNCDVIDSWEI-MELADBBJSA-N 1 1 321.417 3.035 20 10 DGCDMO COCCc1cc[nH+]c(NCc2ccc(N(C)C)c(F)c2)c1 ZINC000285315993 536830439 /nfs/dbraw/zinc/83/04/39/536830439.db2.gz WCFUVRNWMFXFIZ-UHFFFAOYSA-N 1 1 303.381 3.088 20 10 DGCDMO C[N@@H+](Cc1cnc(-c2ccccc2)nc1)Cc1ccccc1O ZINC000732202691 574567722 /nfs/dbraw/zinc/56/77/22/574567722.db2.gz CLEGOPZHZHOKHE-UHFFFAOYSA-N 1 1 305.381 3.481 20 10 DGCDMO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733325267 574615954 /nfs/dbraw/zinc/61/59/54/574615954.db2.gz HKVPUOXERXMMLD-BZUAXINKSA-N 1 1 321.484 3.348 20 10 DGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000740759307 574941411 /nfs/dbraw/zinc/94/14/11/574941411.db2.gz XEBKHDXWLARHFF-QGZVFWFLSA-N 1 1 313.397 3.273 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1F ZINC000742385872 574995346 /nfs/dbraw/zinc/99/53/46/574995346.db2.gz ZJQUHXCEACBORD-CRAIPNDOSA-N 1 1 321.484 3.492 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1F ZINC000742385872 574995349 /nfs/dbraw/zinc/99/53/49/574995349.db2.gz ZJQUHXCEACBORD-CRAIPNDOSA-N 1 1 321.484 3.492 20 10 DGCDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccco2)ccc1N1CCCCC1 ZINC000743503727 575054886 /nfs/dbraw/zinc/05/48/86/575054886.db2.gz LOAKZLUPIRWTEP-UHFFFAOYSA-N 1 1 315.373 3.468 20 10 DGCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCOC1 ZINC000743873706 575067640 /nfs/dbraw/zinc/06/76/40/575067640.db2.gz RXNRAOAJFURLAY-NSHDSACASA-N 1 1 314.223 3.013 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1C ZINC000744442040 575343336 /nfs/dbraw/zinc/34/33/36/575343336.db2.gz DDQKJZDCSDZIMI-BXUZGUMPSA-N 1 1 303.324 3.161 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1C ZINC000744442040 575343338 /nfs/dbraw/zinc/34/33/38/575343338.db2.gz DDQKJZDCSDZIMI-BXUZGUMPSA-N 1 1 303.324 3.161 20 10 DGCDMO Cc1cccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000745984086 575426587 /nfs/dbraw/zinc/42/65/87/575426587.db2.gz LYZJEEMQKIDLNU-GOSISDBHSA-N 1 1 312.413 3.277 20 10 DGCDMO CO[C@H](C)c1nc(C[NH2+]Cc2cc(Cl)ccc2O)cs1 ZINC000752266466 575829751 /nfs/dbraw/zinc/82/97/51/575829751.db2.gz QTOBWPQFSXGUOZ-SECBINFHSA-N 1 1 312.822 3.499 20 10 DGCDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000726588145 576031671 /nfs/dbraw/zinc/03/16/71/576031671.db2.gz LRAIONLPPBXCDF-HNNXBMFYSA-N 1 1 313.397 3.463 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)cc1 ZINC000726981090 576091146 /nfs/dbraw/zinc/09/11/46/576091146.db2.gz MTCAICNSGHCYDU-KRWDZBQOSA-N 1 1 312.413 3.024 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)cc1 ZINC000726981091 576091399 /nfs/dbraw/zinc/09/13/99/576091399.db2.gz MTCAICNSGHCYDU-QGZVFWFLSA-N 1 1 312.413 3.024 20 10 DGCDMO CN(C)c1ccc(C[NH2+]Cc2nn(C)c3ccccc23)cc1F ZINC000727468712 576128293 /nfs/dbraw/zinc/12/82/93/576128293.db2.gz MZICDCREYXMGEU-UHFFFAOYSA-N 1 1 312.392 3.068 20 10 DGCDMO CCC[N@@H+](Cc1cc(C(=O)OC)c(C)o1)Cc1ccccc1O ZINC000727831220 576148197 /nfs/dbraw/zinc/14/81/97/576148197.db2.gz OVLSIQLFLOBPPS-UHFFFAOYSA-N 1 1 317.385 3.492 20 10 DGCDMO Cc1cc(O)c(C[NH+]2CCN(CC3CC3)CC2)cc1C(C)C ZINC000917480269 620670343 /nfs/dbraw/zinc/67/03/43/620670343.db2.gz ZPMVPHQWKKGXIX-UHFFFAOYSA-N 1 1 302.462 3.352 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3C[C@@H]4COC[C@]4(C)C3)c2c1 ZINC000853567105 620710170 /nfs/dbraw/zinc/71/01/70/620710170.db2.gz SYBGUUKHKPWYGG-KUHUBIRLSA-N 1 1 313.397 3.022 20 10 DGCDMO CCC1(CC)CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000853563868 620710184 /nfs/dbraw/zinc/71/01/84/620710184.db2.gz ZSONQKDFJVHMSG-INIZCTEOSA-N 1 1 305.418 3.220 20 10 DGCDMO COc1cc(Br)cc(CNc2[nH+]cccc2C)c1O ZINC000130967495 617886563 /nfs/dbraw/zinc/88/65/63/617886563.db2.gz XHWPOQZFPQIEJM-UHFFFAOYSA-N 1 1 323.190 3.479 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(F)cc1O ZINC000840886937 618131675 /nfs/dbraw/zinc/13/16/75/618131675.db2.gz OJTCTNQNZGEGNQ-SCRDCRAPSA-N 1 1 303.324 3.121 20 10 DGCDMO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000840889238 618141017 /nfs/dbraw/zinc/14/10/17/618141017.db2.gz FRMJOAALPSYFBA-IUCAKERBSA-N 1 1 319.232 3.263 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c1O ZINC000894748839 618443661 /nfs/dbraw/zinc/44/36/61/618443661.db2.gz XPNBCCMUQLZRHT-HOCLYGCPSA-N 1 1 307.434 3.225 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000894765440 618452862 /nfs/dbraw/zinc/45/28/62/618452862.db2.gz HYPXOISAFYQCDP-UHFFFAOYSA-N 1 1 304.340 3.445 20 10 DGCDMO COc1ccc(C[N@H+]2CCSC[C@H]2C2CCC2)c(O)c1OC ZINC000894961526 618502821 /nfs/dbraw/zinc/50/28/21/618502821.db2.gz OEDHXCPEGCJBMQ-AWEZNQCLSA-N 1 1 323.458 3.127 20 10 DGCDMO CC(C)COC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000776578717 618529814 /nfs/dbraw/zinc/52/98/14/618529814.db2.gz HWJCFIDFTXQQOE-UHFFFAOYSA-N 1 1 306.450 3.162 20 10 DGCDMO CC(C)COC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000776578717 618529816 /nfs/dbraw/zinc/52/98/16/618529816.db2.gz HWJCFIDFTXQQOE-UHFFFAOYSA-N 1 1 306.450 3.162 20 10 DGCDMO CC(C)[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C1(CO)CC=CC1 ZINC000895083348 618532770 /nfs/dbraw/zinc/53/27/70/618532770.db2.gz DJFAWSUZIYYJSG-MRXNPFEDSA-N 1 1 311.372 3.113 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000895280739 618586220 /nfs/dbraw/zinc/58/62/20/618586220.db2.gz ZSWVOFIGTMJENT-LRDDRELGSA-N 1 1 311.372 3.452 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000895280739 618586222 /nfs/dbraw/zinc/58/62/22/618586222.db2.gz ZSWVOFIGTMJENT-LRDDRELGSA-N 1 1 311.372 3.452 20 10 DGCDMO CO[C@@](C)([C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000840961125 618639420 /nfs/dbraw/zinc/63/94/20/618639420.db2.gz QRFOYZVOVOKVOF-VFZGTOFNSA-N 1 1 301.789 3.478 20 10 DGCDMO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(F)cc(F)c1O ZINC000893900365 618671954 /nfs/dbraw/zinc/67/19/54/618671954.db2.gz FLBUDBLRJHGKFT-UHFFFAOYSA-N 1 1 321.323 3.074 20 10 DGCDMO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(F)cc(F)c1O ZINC000893900365 618671956 /nfs/dbraw/zinc/67/19/56/618671956.db2.gz FLBUDBLRJHGKFT-UHFFFAOYSA-N 1 1 321.323 3.074 20 10 DGCDMO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)cc(F)c1O ZINC000893912118 618674933 /nfs/dbraw/zinc/67/49/33/618674933.db2.gz RUZAIVVVRSMEDA-UHFFFAOYSA-N 1 1 307.296 3.031 20 10 DGCDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)cc(F)c1O ZINC000893912118 618674937 /nfs/dbraw/zinc/67/49/37/618674937.db2.gz RUZAIVVVRSMEDA-UHFFFAOYSA-N 1 1 307.296 3.031 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c1O ZINC000893987264 618690703 /nfs/dbraw/zinc/69/07/03/618690703.db2.gz QDMQSDDZKSMAEQ-AWEZNQCLSA-N 1 1 301.390 3.160 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c1O ZINC000893987264 618690706 /nfs/dbraw/zinc/69/07/06/618690706.db2.gz QDMQSDDZKSMAEQ-AWEZNQCLSA-N 1 1 301.390 3.160 20 10 DGCDMO C[N@H+](Cc1cc(F)cc(F)c1O)[C@@H](CCO)c1ccccc1 ZINC000894025965 618696463 /nfs/dbraw/zinc/69/64/63/618696463.db2.gz AVLAREAZHCMQCL-INIZCTEOSA-N 1 1 307.340 3.226 20 10 DGCDMO C[N@@H+](Cc1cc(F)cc(F)c1O)[C@@H](CCO)c1ccccc1 ZINC000894025965 618696464 /nfs/dbraw/zinc/69/64/64/618696464.db2.gz AVLAREAZHCMQCL-INIZCTEOSA-N 1 1 307.340 3.226 20 10 DGCDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894077891 618706538 /nfs/dbraw/zinc/70/65/38/618706538.db2.gz WRJQTYCWKKOHRZ-SFHVURJKSA-N 1 1 323.433 3.191 20 10 DGCDMO CC(C)[C@@H](O)C1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790991413 618732690 /nfs/dbraw/zinc/73/26/90/618732690.db2.gz WWIMKTYGLHFUFS-CQSZACIVSA-N 1 1 301.789 3.071 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c1O ZINC000895413447 618781015 /nfs/dbraw/zinc/78/10/15/618781015.db2.gz DEVQNVTWLYGOAO-HNNXBMFYSA-N 1 1 313.397 3.404 20 10 DGCDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000895577756 618801059 /nfs/dbraw/zinc/80/10/59/618801059.db2.gz SNJLFLYMJVRDMZ-LBPRGKRZSA-N 1 1 309.715 3.199 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c(Cl)c1 ZINC000895835825 618840065 /nfs/dbraw/zinc/84/00/65/618840065.db2.gz FSHOHMZLKLMFGS-ZDUSSCGKSA-N 1 1 323.742 3.101 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1F ZINC000895846420 618841240 /nfs/dbraw/zinc/84/12/40/618841240.db2.gz UBKFKXDIUAGFLR-SJKOYZFVSA-N 1 1 310.388 3.032 20 10 DGCDMO COC1(OC)CC2(C[N@@H+](Cc3cccc(C)c3O)[C@@H]2C(C)C)C1 ZINC000895989611 618857872 /nfs/dbraw/zinc/85/78/72/618857872.db2.gz MGFQSCQESSPHED-QGZVFWFLSA-N 1 1 319.445 3.310 20 10 DGCDMO Oc1cccc(F)c1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000896636598 618939342 /nfs/dbraw/zinc/93/93/42/618939342.db2.gz CJUFNGXVOSPIPJ-UHFFFAOYSA-N 1 1 317.360 3.373 20 10 DGCDMO Oc1cccc(F)c1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000896639908 618939694 /nfs/dbraw/zinc/93/96/94/618939694.db2.gz ZEYQCMVGAILXKS-CQSZACIVSA-N 1 1 300.377 3.147 20 10 DGCDMO Cn1cc(C[NH2+]Cc2c(O)cccc2F)c(C2CCCC2)n1 ZINC000896641558 618940302 /nfs/dbraw/zinc/94/03/02/618940302.db2.gz MLQPHQSEHMJNEZ-UHFFFAOYSA-N 1 1 303.381 3.212 20 10 DGCDMO COc1c(O)c(C[NH2+]CC2CCC=CCC2)ccc1[N+](=O)[O-] ZINC000897244369 619036001 /nfs/dbraw/zinc/03/60/01/619036001.db2.gz FCURJVQQPAOZFE-UHFFFAOYSA-N 1 1 306.362 3.145 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000897339442 619064483 /nfs/dbraw/zinc/06/44/83/619064483.db2.gz IFGDOLXNELSBTO-WBVHZDCISA-N 1 1 321.779 3.323 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897535779 619150733 /nfs/dbraw/zinc/15/07/33/619150733.db2.gz DUJWJGLIZTVRPS-ZWNOBZJWSA-N 1 1 301.789 3.216 20 10 DGCDMO Oc1cc(F)c(Cl)cc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897982974 619203134 /nfs/dbraw/zinc/20/31/34/619203134.db2.gz TXXKOULAIUSKLF-UHFFFAOYSA-N 1 1 312.816 3.291 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2nn(C)cc2C)cc1 ZINC000929185641 619244566 /nfs/dbraw/zinc/24/45/66/619244566.db2.gz WOXDYYJXJQFEPC-UHFFFAOYSA-N 1 1 300.450 3.207 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2nn(C)cc2C)cc1 ZINC000929185641 619244568 /nfs/dbraw/zinc/24/45/68/619244568.db2.gz WOXDYYJXJQFEPC-UHFFFAOYSA-N 1 1 300.450 3.207 20 10 DGCDMO CC[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(F)cc1O ZINC000927108665 619266622 /nfs/dbraw/zinc/26/66/22/619266622.db2.gz SGFGZFNMMYTNOP-OAHLLOKOSA-N 1 1 303.381 3.383 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000898516056 619282997 /nfs/dbraw/zinc/28/29/97/619282997.db2.gz KRQPILBXSQNBIR-JKSUJKDBSA-N 1 1 319.445 3.430 20 10 DGCDMO Cc1cc(C[NH2+][C@H](C)c2cn(C)nn2)c(C)n1-c1ccccc1 ZINC000903068983 619714661 /nfs/dbraw/zinc/71/46/61/619714661.db2.gz AOPMILBQPOIEMA-CQSZACIVSA-N 1 1 309.417 3.073 20 10 DGCDMO C[C@@H]([NH2+][C@@H](CO)CCc1ccccc1)c1ccc(F)cc1O ZINC000903292691 619752007 /nfs/dbraw/zinc/75/20/07/619752007.db2.gz KODBRKXWDVFGEG-CZUORRHYSA-N 1 1 303.377 3.176 20 10 DGCDMO C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1cccc(C(F)(F)F)c1O ZINC000903438371 619775166 /nfs/dbraw/zinc/77/51/66/619775166.db2.gz UMNSQAUVHVLQKP-DUFXMDAXSA-N 1 1 315.335 3.487 20 10 DGCDMO CCN(C)c1ccc(Cn2cc(C[N@@H+](C)C(C)(C)C)nn2)cc1 ZINC000905803823 620031262 /nfs/dbraw/zinc/03/12/62/620031262.db2.gz UJHLCUPQCINJPX-UHFFFAOYSA-N 1 1 315.465 3.013 20 10 DGCDMO COC(=O)CC[N@@H+](Cc1c(O)ccc2ccccc21)C(C)C ZINC000112959201 620864373 /nfs/dbraw/zinc/86/43/73/620864373.db2.gz BLHAPGWRMYHPGY-UHFFFAOYSA-N 1 1 301.386 3.319 20 10 DGCDMO OC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(F)cc1F ZINC000922264363 621014874 /nfs/dbraw/zinc/01/48/74/621014874.db2.gz SIGXRRHOEXXZPT-KRWDZBQOSA-N 1 1 319.351 3.113 20 10 DGCDMO c1cc2c(cc1CNC[C@@H]1CCC[N@H+](CC3CC3)C1)CCCO2 ZINC000922268369 621015384 /nfs/dbraw/zinc/01/53/84/621015384.db2.gz FCNKFSIOFDZRMF-SFHVURJKSA-N 1 1 314.473 3.223 20 10 DGCDMO c1cc2c(cc1CNC[C@@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000922268369 621015386 /nfs/dbraw/zinc/01/53/86/621015386.db2.gz FCNKFSIOFDZRMF-SFHVURJKSA-N 1 1 314.473 3.223 20 10 DGCDMO C[C@@H]1Cc2cc(C[NH2+]Cc3cc(F)cc(F)c3O)ccc2O1 ZINC000922702178 621087713 /nfs/dbraw/zinc/08/77/13/621087713.db2.gz WVVDZGUCFIOMTD-SNVBAGLBSA-N 1 1 305.324 3.284 20 10 DGCDMO CCc1noc(CC)c1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858149304 621158911 /nfs/dbraw/zinc/15/89/11/621158911.db2.gz GIISDEGBXUVIOZ-UHFFFAOYSA-N 1 1 323.387 3.433 20 10 DGCDMO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788591884 621201814 /nfs/dbraw/zinc/20/18/14/621201814.db2.gz JHRBZVMKKYTZGJ-QMTHXVAHSA-N 1 1 305.340 3.469 20 10 DGCDMO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000858592481 621208091 /nfs/dbraw/zinc/20/80/91/621208091.db2.gz DBIZOTGPKFOGEA-MXWKQRLJSA-N 1 1 303.324 3.487 20 10 DGCDMO Cc1cc(C[N@@H+]2CCc3nc[nH]c3C2)ccc1N1CCCCC1 ZINC000859306189 621268532 /nfs/dbraw/zinc/26/85/32/621268532.db2.gz SBHPOANKQHUYMY-UHFFFAOYSA-N 1 1 310.445 3.267 20 10 DGCDMO Cc1cc(C[N@H+]2CCc3nc[nH]c3C2)ccc1N1CCCCC1 ZINC000859306189 621268535 /nfs/dbraw/zinc/26/85/35/621268535.db2.gz SBHPOANKQHUYMY-UHFFFAOYSA-N 1 1 310.445 3.267 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000839192557 621347791 /nfs/dbraw/zinc/34/77/91/621347791.db2.gz KPINQLQZAUMTMZ-CYBMUJFWSA-N 1 1 323.433 3.201 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1N(C)C ZINC000839201529 621351205 /nfs/dbraw/zinc/35/12/05/621351205.db2.gz MULMQDOEWJCXNB-AZUAARDMSA-N 1 1 316.489 3.434 20 10 DGCDMO COC(=O)c1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cs1 ZINC000839463689 621380228 /nfs/dbraw/zinc/38/02/28/621380228.db2.gz ZVTFJOUKKHZXSI-UHFFFAOYSA-N 1 1 318.442 3.233 20 10 DGCDMO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cs1 ZINC000839463689 621380231 /nfs/dbraw/zinc/38/02/31/621380231.db2.gz ZVTFJOUKKHZXSI-UHFFFAOYSA-N 1 1 318.442 3.233 20 10 DGCDMO CCOc1ccc(C[NH2+][C@@H](C)c2nnc([C@H](C)CC)[nH]2)c(O)c1 ZINC000752923782 621416096 /nfs/dbraw/zinc/41/60/96/621416096.db2.gz GSQOIAUURAILSG-NEPJUHHUSA-N 1 1 318.421 3.273 20 10 DGCDMO Oc1cc(OCc2ccccc2)ccc1C[NH2+]Cc1cocn1 ZINC000753566402 621449051 /nfs/dbraw/zinc/44/90/51/621449051.db2.gz PLUVLIMKEPTMHE-UHFFFAOYSA-N 1 1 310.353 3.249 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CCOC[C@H]2c2ccccc2)c1O ZINC000754736758 621529512 /nfs/dbraw/zinc/52/95/12/621529512.db2.gz KZULWFMRPYQSSN-KRWDZBQOSA-N 1 1 313.397 3.283 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCOC[C@H]2c2ccccc2)c1O ZINC000754736758 621529514 /nfs/dbraw/zinc/52/95/14/621529514.db2.gz KZULWFMRPYQSSN-KRWDZBQOSA-N 1 1 313.397 3.283 20 10 DGCDMO CC[N@@H+](CCc1ccccn1)Cc1cc(F)c(N(C)C)cc1F ZINC000862232119 621564332 /nfs/dbraw/zinc/56/43/32/621564332.db2.gz PWCVHRUAVLDELF-UHFFFAOYSA-N 1 1 319.399 3.490 20 10 DGCDMO C[C@@H](CO)[N@H+](Cc1cc(F)c(N(C)C)cc1F)CC1CCC1 ZINC000862358870 621577899 /nfs/dbraw/zinc/57/78/99/621577899.db2.gz YKYPYTUAATXVQP-LBPRGKRZSA-N 1 1 312.404 3.014 20 10 DGCDMO CC[C@@H](C)[N@@H+](CCO)Cc1cc(Br)cc(C)c1O ZINC000862387449 621582831 /nfs/dbraw/zinc/58/28/31/621582831.db2.gz LYEAQBMIYHYPPN-LLVKDONJSA-N 1 1 316.239 3.056 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000862468513 621592924 /nfs/dbraw/zinc/59/29/24/621592924.db2.gz JZLIJJMKVJBCFB-SNVBAGLBSA-N 1 1 322.758 3.004 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCc3c(O)cccc3C2)cc1F ZINC000862529289 621597027 /nfs/dbraw/zinc/59/70/27/621597027.db2.gz JRHBHWBWPMBSJD-UHFFFAOYSA-N 1 1 300.377 3.156 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCc3c(O)cccc3C2)cc1F ZINC000862529289 621597030 /nfs/dbraw/zinc/59/70/30/621597030.db2.gz JRHBHWBWPMBSJD-UHFFFAOYSA-N 1 1 300.377 3.156 20 10 DGCDMO Cc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000862541531 621598686 /nfs/dbraw/zinc/59/86/86/621598686.db2.gz RWSSTBYSFUMUCC-CYBMUJFWSA-N 1 1 308.422 3.046 20 10 DGCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C[C@H]1C ZINC000755939341 621605522 /nfs/dbraw/zinc/60/55/22/621605522.db2.gz YVNFRBLYCOYDRR-CZUORRHYSA-N 1 1 305.418 3.065 20 10 DGCDMO Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000862756959 621613960 /nfs/dbraw/zinc/61/39/60/621613960.db2.gz BVIBXBLTRGBLGE-KRWDZBQOSA-N 1 1 316.445 3.114 20 10 DGCDMO CC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756412093 621636795 /nfs/dbraw/zinc/63/67/95/621636795.db2.gz SBPJHMLLGHPVLG-SNVBAGLBSA-N 1 1 320.339 3.480 20 10 DGCDMO C[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccc(F)cc1O ZINC000756561742 621649358 /nfs/dbraw/zinc/64/93/58/621649358.db2.gz HQGDEZHMVSVLLW-BFUOFWGJSA-N 1 1 315.388 3.406 20 10 DGCDMO Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756597478 621651855 /nfs/dbraw/zinc/65/18/55/621651855.db2.gz NKRULGXDCNIDQA-NSHDSACASA-N 1 1 309.360 3.306 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H](SC)C2)c1 ZINC000756610538 621652783 /nfs/dbraw/zinc/65/27/83/621652783.db2.gz PGTTWKVDGNUNSK-UHTWSYAYSA-N 1 1 309.431 3.114 20 10 DGCDMO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000756637813 621654737 /nfs/dbraw/zinc/65/47/37/621654737.db2.gz PJSSTSIKPQTGRW-CZUORRHYSA-N 1 1 303.377 3.440 20 10 DGCDMO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756637806 621654745 /nfs/dbraw/zinc/65/47/45/621654745.db2.gz PJSSTSIKPQTGRW-BBRMVZONSA-N 1 1 303.377 3.440 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2nnc(C(C)C)s2)c1 ZINC000756639795 621655330 /nfs/dbraw/zinc/65/53/30/621655330.db2.gz FOPLTMUNLXNHRW-JTQLQIEISA-N 1 1 307.419 3.227 20 10 DGCDMO C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(F)cc(F)c1O ZINC000756703098 621659107 /nfs/dbraw/zinc/65/91/07/621659107.db2.gz FINVJJVOCOHRLK-SNVBAGLBSA-N 1 1 321.323 3.292 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2ccc(C)cc2)c1 ZINC000756710480 621659831 /nfs/dbraw/zinc/65/98/31/621659831.db2.gz CPPQWOYNPZBCSI-AWEZNQCLSA-N 1 1 313.397 3.381 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccc(F)cc1O ZINC000756741914 621661653 /nfs/dbraw/zinc/66/16/53/621661653.db2.gz YRMCJZUPSGTUNE-BJOHPYRUSA-N 1 1 311.303 3.194 20 10 DGCDMO C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccc(F)cc1O ZINC000756741918 621661878 /nfs/dbraw/zinc/66/18/78/621661878.db2.gz YRMCJZUPSGTUNE-VFZGTOFNSA-N 1 1 311.303 3.194 20 10 DGCDMO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c[nH]nc32)c2c1c(F)ccc2O ZINC000756761910 621662769 /nfs/dbraw/zinc/66/27/69/621662769.db2.gz NBMPYOQBMSOOOJ-WQAKAFBOSA-N 1 1 301.365 3.470 20 10 DGCDMO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C2 ZINC000756774583 621664020 /nfs/dbraw/zinc/66/40/20/621664020.db2.gz KBKWPFHDYNPMJO-SMDDNHRTSA-N 1 1 317.360 3.194 20 10 DGCDMO COC[C@@]1(C)C[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000863339334 621664580 /nfs/dbraw/zinc/66/45/80/621664580.db2.gz BPIIQIOPTFCWNE-LJQANCHMSA-N 1 1 321.461 3.235 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](CCCOC(C)(C)C)CC2)cc1 ZINC000756813270 621666064 /nfs/dbraw/zinc/66/60/64/621666064.db2.gz QLWMKVVZAHMJNP-UHFFFAOYSA-N 1 1 320.477 3.413 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000756845340 621668134 /nfs/dbraw/zinc/66/81/34/621668134.db2.gz UBNCTLCQNSGEFS-OCLKLICZSA-N 1 1 303.402 3.408 20 10 DGCDMO COC1CCN(c2ccc(Cn3cc[nH+]c3C3CC3)cc2)CC1 ZINC000863385064 621668917 /nfs/dbraw/zinc/66/89/17/621668917.db2.gz ICVVWKUOUIBTNZ-UHFFFAOYSA-N 1 1 311.429 3.424 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)ccc1N(C)C ZINC000839638306 621706807 /nfs/dbraw/zinc/70/68/07/621706807.db2.gz ZMWCKTOKFRDRGB-QUCCMNQESA-N 1 1 310.441 3.369 20 10 DGCDMO COc1cccc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)c1O ZINC000758062558 621756188 /nfs/dbraw/zinc/75/61/88/621756188.db2.gz KTEYCFWGGSGZKW-KRWDZBQOSA-N 1 1 305.418 3.182 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000789545425 625521049 /nfs/dbraw/zinc/52/10/49/625521049.db2.gz LJOIOJRWFVHBSU-LJQANCHMSA-N 1 1 319.445 3.398 20 10 DGCDMO Cc1nc2ccccn2c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000759468075 621862541 /nfs/dbraw/zinc/86/25/41/621862541.db2.gz CIYRPDPPJKXOEU-UHFFFAOYSA-N 1 1 308.429 3.341 20 10 DGCDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1c(O)cccc1OC ZINC000789584024 625530366 /nfs/dbraw/zinc/53/03/66/625530366.db2.gz BJBSZTKWOCCTJW-MRXNPFEDSA-N 1 1 315.413 3.090 20 10 DGCDMO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Cl)c(Cl)cc1O ZINC000866442677 622119177 /nfs/dbraw/zinc/11/91/77/622119177.db2.gz QKJZWDRGRRXDRU-LHLIQPBNSA-N 1 1 314.159 3.366 20 10 DGCDMO CC[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(F)cc1O ZINC000866567148 622140055 /nfs/dbraw/zinc/14/00/55/622140055.db2.gz JUAUYDSQPPRVTJ-LBPRGKRZSA-N 1 1 313.323 3.443 20 10 DGCDMO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O)C1CCCCC1 ZINC000121147929 622146187 /nfs/dbraw/zinc/14/61/87/622146187.db2.gz BLHPTUCHZXESGC-HNNXBMFYSA-N 1 1 318.461 3.394 20 10 DGCDMO COC(=O)c1cc(C[N@@H+](C)Cc2cc(C)ccc2O)oc1C ZINC000122436953 622318621 /nfs/dbraw/zinc/31/86/21/622318621.db2.gz OHFNKYYOQAXEEY-UHFFFAOYSA-N 1 1 303.358 3.021 20 10 DGCDMO CCN(CC)c1ccc(CN(C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000767359219 622393098 /nfs/dbraw/zinc/39/30/98/622393098.db2.gz GEFXFXQZFIXNRD-SFHVURJKSA-N 1 1 303.494 3.449 20 10 DGCDMO CCN(CC)c1ccc(CN(C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000767359219 622393099 /nfs/dbraw/zinc/39/30/99/622393099.db2.gz GEFXFXQZFIXNRD-SFHVURJKSA-N 1 1 303.494 3.449 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cc(C)n(C)n2)cc1 ZINC000767887229 622426067 /nfs/dbraw/zinc/42/60/67/622426067.db2.gz HYZWWZMJXKRLAC-UHFFFAOYSA-N 1 1 300.450 3.207 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cc(C)n(C)n2)cc1 ZINC000767887229 622426068 /nfs/dbraw/zinc/42/60/68/622426068.db2.gz HYZWWZMJXKRLAC-UHFFFAOYSA-N 1 1 300.450 3.207 20 10 DGCDMO C[N@@H+](Cc1cccs1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768161301 622442678 /nfs/dbraw/zinc/44/26/78/622442678.db2.gz WUCASVDDBUYVBQ-UHFFFAOYSA-N 1 1 320.433 3.356 20 10 DGCDMO Cc1ccc(O)c(CN2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000768195064 622445074 /nfs/dbraw/zinc/44/50/74/622445074.db2.gz KISJJTDJQAHDOZ-UHFFFAOYSA-N 1 1 310.441 3.327 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnc3cnccn23)cc1 ZINC000768207421 622445364 /nfs/dbraw/zinc/44/53/64/622445364.db2.gz IIOISAQUPFHWEF-UHFFFAOYSA-N 1 1 323.444 3.208 20 10 DGCDMO CC(C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768449286 622456687 /nfs/dbraw/zinc/45/66/87/622456687.db2.gz ZABGVBPIQVSICB-SUMWQHHRSA-N 1 1 305.418 3.076 20 10 DGCDMO COc1cc(CN2CCC[N@H+](C(C)(C)C)CC2)c(O)cc1C ZINC000768446376 622457066 /nfs/dbraw/zinc/45/70/66/622457066.db2.gz WZPFILATNBGUGR-UHFFFAOYSA-N 1 1 306.450 3.015 20 10 DGCDMO COc1cc(C[N@@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c(O)cc1C ZINC000768464883 622458323 /nfs/dbraw/zinc/45/83/23/622458323.db2.gz BYYIQSBONMXTDO-AEFFLSMTSA-N 1 1 307.434 3.345 20 10 DGCDMO COCC[N@@H+](CCc1ccccc1)Cc1c(O)cccc1OC ZINC000768584577 622465504 /nfs/dbraw/zinc/46/55/04/622465504.db2.gz MWRWQBXVYBNZRJ-UHFFFAOYSA-N 1 1 315.413 3.092 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1CC1 ZINC000768673107 622470511 /nfs/dbraw/zinc/47/05/11/622470511.db2.gz IJBPZIRPJJOBLO-UHFFFAOYSA-N 1 1 306.425 3.283 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](CC)CCC(=O)OC)cc1F ZINC000768992819 622490694 /nfs/dbraw/zinc/49/06/94/622490694.db2.gz PDAIEIYAARLGKX-UHFFFAOYSA-N 1 1 310.413 3.057 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCc3ccc(OC)cc3C2)c(O)c1 ZINC000769119565 622500130 /nfs/dbraw/zinc/50/01/30/622500130.db2.gz CVUXWNVZABKEER-UHFFFAOYSA-N 1 1 313.397 3.358 20 10 DGCDMO Fc1cc(C[N@H+]2CCC[C@@H]2C2CC2)ccc1N1CCOCC1 ZINC000769329484 622517972 /nfs/dbraw/zinc/51/79/72/622517972.db2.gz LVTROELRDHIAQH-QGZVFWFLSA-N 1 1 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COc1cccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)c1O ZINC000873175923 623062301 /nfs/dbraw/zinc/06/23/01/623062301.db2.gz WQSZZPJEPAZUQO-UHFFFAOYSA-N 1 1 316.401 3.194 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000773773463 623071916 /nfs/dbraw/zinc/07/19/16/623071916.db2.gz RVWBUNBKVPKWBH-UHFFFAOYSA-N 1 1 310.441 3.449 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCCCC[C@@H]2C(=O)OC)cc1 ZINC000773834914 623077071 /nfs/dbraw/zinc/07/70/71/623077071.db2.gz VJROVEVRIJTQOH-QGZVFWFLSA-N 1 1 304.434 3.060 20 10 DGCDMO Nc1ccc2c(c1)OCC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000873220335 623079155 /nfs/dbraw/zinc/07/91/55/623079155.db2.gz RYANIGNVPLUOKY-UHFFFAOYSA-N 1 1 304.777 3.022 20 10 DGCDMO Nc1ccc2c(c1)OCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000873220335 623079162 /nfs/dbraw/zinc/07/91/62/623079162.db2.gz RYANIGNVPLUOKY-UHFFFAOYSA-N 1 1 304.777 3.022 20 10 DGCDMO C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2c1c(F)ccc2[O-] ZINC000873263695 623097026 /nfs/dbraw/zinc/09/70/26/623097026.db2.gz 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COc1c(O)c(C[NH2+]Cc2ccc(C)c(F)c2)ccc1[N+](=O)[O-] ZINC000774950024 623211028 /nfs/dbraw/zinc/21/10/28/623211028.db2.gz BSDJUPXUJFADTK-UHFFFAOYSA-N 1 1 320.320 3.046 20 10 DGCDMO COc1c(O)c(C[NH2+]C(C)(C)c2cccs2)ccc1[N+](=O)[O-] ZINC000775016083 623216995 /nfs/dbraw/zinc/21/69/95/623216995.db2.gz NXFBBWSCXBDYNL-UHFFFAOYSA-N 1 1 322.386 3.395 20 10 DGCDMO COc1c(O)c(C[NH2+]CC(C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000775101171 623231483 /nfs/dbraw/zinc/23/14/83/623231483.db2.gz IRHPRBFAFACRSO-UHFFFAOYSA-N 1 1 310.394 3.327 20 10 DGCDMO C[C@@H]([NH2+]C/C(Cl)=C\Cl)c1ccc(N2CCOCC2)cc1 ZINC000775255051 623246545 /nfs/dbraw/zinc/24/65/45/623246545.db2.gz NTGJQJOIHITBJK-HLVNSREUSA-N 1 1 315.244 3.493 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC000775642346 623300465 /nfs/dbraw/zinc/30/04/65/623300465.db2.gz KRZHONHFPRPDHX-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000775647280 623304117 /nfs/dbraw/zinc/30/41/17/623304117.db2.gz 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623319884 /nfs/dbraw/zinc/31/98/84/623319884.db2.gz HCKLOQSKKCCYGQ-HNNXBMFYSA-N 1 1 305.418 3.397 20 10 DGCDMO COc1ccc(O)c(C[N@@H+]2CCc3c(F)cc(F)cc3C2)c1 ZINC000775733822 623320685 /nfs/dbraw/zinc/32/06/85/623320685.db2.gz IOTHADNDAVCKPG-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCc3c(F)cc(F)cc3C2)c1 ZINC000775733822 623320687 /nfs/dbraw/zinc/32/06/87/623320687.db2.gz IOTHADNDAVCKPG-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c1 ZINC000775740562 623323191 /nfs/dbraw/zinc/32/31/91/623323191.db2.gz OBKGHFFBPHAGCQ-YJYMSZOUSA-N 1 1 313.397 3.225 20 10 DGCDMO C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc(F)c3[O-])CC[C@@H]21 ZINC000775742538 623323256 /nfs/dbraw/zinc/32/32/56/623323256.db2.gz UUFGYCYROOJSLP-NHYWBVRUSA-N 1 1 312.816 3.101 20 10 DGCDMO C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])CC[C@@H]21 ZINC000775742538 623323260 /nfs/dbraw/zinc/32/32/60/623323260.db2.gz UUFGYCYROOJSLP-NHYWBVRUSA-N 1 1 312.816 3.101 20 10 DGCDMO C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])CC[C@@H]21 ZINC000775742538 623323263 /nfs/dbraw/zinc/32/32/63/623323263.db2.gz UUFGYCYROOJSLP-NHYWBVRUSA-N 1 1 312.816 3.101 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)CN1C ZINC000775987745 623361618 /nfs/dbraw/zinc/36/16/18/623361618.db2.gz WFESPXFEXNVRAX-IAGOWNOFSA-N 1 1 301.478 3.201 20 10 DGCDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000775987745 623361624 /nfs/dbraw/zinc/36/16/24/623361624.db2.gz WFESPXFEXNVRAX-IAGOWNOFSA-N 1 1 301.478 3.201 20 10 DGCDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000775987745 623361625 /nfs/dbraw/zinc/36/16/25/623361625.db2.gz WFESPXFEXNVRAX-IAGOWNOFSA-N 1 1 301.478 3.201 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000777439479 623525173 /nfs/dbraw/zinc/52/51/73/623525173.db2.gz HWBGBXCJYSTFNR-QGZVFWFLSA-N 1 1 305.418 3.182 20 10 DGCDMO COc1cccc(O)c1C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000777440308 623526281 /nfs/dbraw/zinc/52/62/81/623526281.db2.gz ISWSODXFRUJMKA-UHFFFAOYSA-N 1 1 311.303 3.450 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000777440308 623526284 /nfs/dbraw/zinc/52/62/84/623526284.db2.gz ISWSODXFRUJMKA-UHFFFAOYSA-N 1 1 311.303 3.450 20 10 DGCDMO CC[N@@H+](Cc1ccc(C)cc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000876532132 623635536 /nfs/dbraw/zinc/63/55/36/623635536.db2.gz YJEDNGFROVLBAT-UHFFFAOYSA-N 1 1 323.396 3.372 20 10 DGCDMO CC[N@H+](Cc1ccc(C)cc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000876532132 623635538 /nfs/dbraw/zinc/63/55/38/623635538.db2.gz YJEDNGFROVLBAT-UHFFFAOYSA-N 1 1 323.396 3.372 20 10 DGCDMO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000876728604 623690874 /nfs/dbraw/zinc/69/08/74/623690874.db2.gz QNSYPAYGQCINTF-ZDUSSCGKSA-N 1 1 308.422 3.046 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000876755174 623697767 /nfs/dbraw/zinc/69/77/67/623697767.db2.gz SIIFJKCCUUNEAO-UHFFFAOYSA-N 1 1 308.422 3.047 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000876810520 623712170 /nfs/dbraw/zinc/71/21/70/623712170.db2.gz ANJPUINYTUSPRM-CRAIPNDOSA-N 1 1 300.446 3.149 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000876810520 623712173 /nfs/dbraw/zinc/71/21/73/623712173.db2.gz ANJPUINYTUSPRM-CRAIPNDOSA-N 1 1 300.446 3.149 20 10 DGCDMO CC[N@@H+](CCC(C)(C)C(=O)OC)Cc1ccc(N(C)C)cc1 ZINC000779519512 623776871 /nfs/dbraw/zinc/77/68/71/623776871.db2.gz MJKQKKHDXTVQGH-UHFFFAOYSA-N 1 1 306.450 3.164 20 10 DGCDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000779597960 623780354 /nfs/dbraw/zinc/78/03/54/623780354.db2.gz IBTADRNCHNYGPW-UHFFFAOYSA-N 1 1 324.424 3.098 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000877406489 623872105 /nfs/dbraw/zinc/87/21/05/623872105.db2.gz TXFHLGIRHMPYGV-ZDUSSCGKSA-N 1 1 306.456 3.447 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCSC[C@H]1c1nccs1 ZINC000877406489 623872109 /nfs/dbraw/zinc/87/21/09/623872109.db2.gz TXFHLGIRHMPYGV-ZDUSSCGKSA-N 1 1 306.456 3.447 20 10 DGCDMO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000877486783 623907891 /nfs/dbraw/zinc/90/78/91/623907891.db2.gz NKIUIXWPQIMGNR-SFHVURJKSA-N 1 1 310.441 3.312 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)c(O)c1 ZINC000877503726 623914915 /nfs/dbraw/zinc/91/49/15/623914915.db2.gz UXULJZTWWRQWMJ-HXUWFJFHSA-N 1 1 311.425 3.227 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)c(O)c1 ZINC000877503725 623915315 /nfs/dbraw/zinc/91/53/15/623915315.db2.gz UXULJZTWWRQWMJ-FQEVSTJZSA-N 1 1 311.425 3.227 20 10 DGCDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531445 623927292 /nfs/dbraw/zinc/92/72/92/623927292.db2.gz MXCZQNMJGQPGOF-DOTOQJQBSA-N 1 1 302.462 3.411 20 10 DGCDMO Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c(O)c1 ZINC000877561099 623941194 /nfs/dbraw/zinc/94/11/94/623941194.db2.gz HQHNCZYQKWJLJO-MJGOQNOKSA-N 1 1 315.388 3.001 20 10 DGCDMO Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(O)c1 ZINC000877600315 623957758 /nfs/dbraw/zinc/95/77/58/623957758.db2.gz MGKITUMNZSNUKT-SFHVURJKSA-N 1 1 301.430 3.482 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3C[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000877620226 623965313 /nfs/dbraw/zinc/96/53/13/623965313.db2.gz GOADLDBYUBQZPS-LPHOPBHVSA-N 1 1 300.446 3.022 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CC1(C)C ZINC000877643127 623975424 /nfs/dbraw/zinc/97/54/24/623975424.db2.gz ADRUNLPGENJQON-MRXNPFEDSA-N 1 1 302.462 3.126 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)Cc2c(C)nn(CC)c2C)c1O ZINC000877664019 623983161 /nfs/dbraw/zinc/98/31/61/623983161.db2.gz KFNPERNBPPXGQF-UHFFFAOYSA-N 1 1 317.433 3.256 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877674908 623987774 /nfs/dbraw/zinc/98/77/74/623987774.db2.gz WSABHBQKQNHTOD-VQTJNVASSA-N 1 1 310.441 3.451 20 10 DGCDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC000877741272 624013239 /nfs/dbraw/zinc/01/32/39/624013239.db2.gz AEMUXDSNVKWFNY-UYAOXDASSA-N 1 1 313.489 3.203 20 10 DGCDMO CC(C)[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000877750731 624018405 /nfs/dbraw/zinc/01/84/05/624018405.db2.gz KQNZZRICSSPWEN-OVKVCFKUSA-N 1 1 301.478 3.038 20 10 DGCDMO COc1ccccc1[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)CCO1 ZINC000877754830 624020610 /nfs/dbraw/zinc/02/06/10/624020610.db2.gz UTFXOLRTWGCXLU-IBGZPJMESA-N 1 1 313.397 3.283 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@]2(C)CCCOC2)c1 ZINC000781638649 624111776 /nfs/dbraw/zinc/11/17/76/624111776.db2.gz MWVCBMHZZPCQEF-CQSZACIVSA-N 1 1 314.223 3.122 20 10 DGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000781907425 624169145 /nfs/dbraw/zinc/16/91/45/624169145.db2.gz HYFUXQBGGWAOJH-NSHDSACASA-N 1 1 314.223 3.074 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000781907425 624169148 /nfs/dbraw/zinc/16/91/48/624169148.db2.gz HYFUXQBGGWAOJH-NSHDSACASA-N 1 1 314.223 3.074 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000781907425 624169150 /nfs/dbraw/zinc/16/91/50/624169150.db2.gz HYFUXQBGGWAOJH-NSHDSACASA-N 1 1 314.223 3.074 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878150867 624190542 /nfs/dbraw/zinc/19/05/42/624190542.db2.gz JVGREQSORZXKRD-KRWDZBQOSA-N 1 1 319.445 3.332 20 10 DGCDMO CC(C)[C@H](O)CC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000878241345 624225018 /nfs/dbraw/zinc/22/50/18/624225018.db2.gz SJOCPLQGBPZQIT-QGZVFWFLSA-N 1 1 303.402 3.394 20 10 DGCDMO CCN(CC)c1ccc(CNCC2([NH+](C)C)CCC2)cc1F ZINC000782536754 624261904 /nfs/dbraw/zinc/26/19/04/624261904.db2.gz WBQOKAYXDWXNIC-UHFFFAOYSA-N 1 1 307.457 3.246 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1O ZINC000785990237 624775233 /nfs/dbraw/zinc/77/52/33/624775233.db2.gz ZXSUXVHEJCUVAE-COPLHBTASA-N 1 1 313.825 3.036 20 10 DGCDMO CC(C)[N@@H+](CCOCC(F)F)Cc1ccc(N(C)C)cc1 ZINC000787184783 624986034 /nfs/dbraw/zinc/98/60/34/624986034.db2.gz UXLNSDTWHBJWRF-UHFFFAOYSA-N 1 1 300.393 3.245 20 10 DGCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)[C@@H]1C ZINC000787244145 624991587 /nfs/dbraw/zinc/99/15/87/624991587.db2.gz MNSXTHHSNBPRRV-HIFRSBDPSA-N 1 1 319.445 3.382 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)cc1F ZINC000787420451 625008660 /nfs/dbraw/zinc/00/86/60/625008660.db2.gz HGQURIYVOLZGKA-DZGCQCFKSA-N 1 1 322.424 3.055 20 10 DGCDMO COc1ccc(O)c(C[NH2+]Cc2ncc(C(F)(F)F)s2)c1 ZINC000788519985 625205955 /nfs/dbraw/zinc/20/59/55/625205955.db2.gz SGVLHUIYGNYOCD-UHFFFAOYSA-N 1 1 318.320 3.166 20 10 DGCDMO CC(C)C[C@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788564581 625216913 /nfs/dbraw/zinc/21/69/13/625216913.db2.gz WTXAQMPRUJIHBT-GHMZBOCLSA-N 1 1 305.340 3.469 20 10 DGCDMO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788564609 625217150 /nfs/dbraw/zinc/21/71/50/625217150.db2.gz WTXAQMPRUJIHBT-QWRGUYRKSA-N 1 1 305.340 3.469 20 10 DGCDMO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788590845 625222259 /nfs/dbraw/zinc/22/22/59/625222259.db2.gz HBEZBEANPYSSOV-CWSCBRNRSA-N 1 1 305.340 3.469 20 10 DGCDMO C[C@H]([NH2+]CC(C)(C)CCO)c1cccc(C(F)(F)F)c1O ZINC000788608329 625226773 /nfs/dbraw/zinc/22/67/73/625226773.db2.gz FJKRGUNSECQKGB-JTQLQIEISA-N 1 1 305.340 3.470 20 10 DGCDMO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788756232 625259397 /nfs/dbraw/zinc/25/93/97/625259397.db2.gz VPDNRTVSSDMBPT-ANDSXOESSA-N 1 1 303.324 3.389 20 10 DGCDMO C[C@H]([NH2+]CCOCC(F)F)c1cccc(C(F)(F)F)c1O ZINC000788774364 625263224 /nfs/dbraw/zinc/26/32/24/625263224.db2.gz CRBVDTPATWQJPN-QMMMGPOBSA-N 1 1 313.266 3.343 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCOc1ccc(F)cc1 ZINC000790949153 625720493 /nfs/dbraw/zinc/72/04/93/625720493.db2.gz KEGCZYIVROETKM-UHFFFAOYSA-N 1 1 313.731 3.492 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCOc1cccc(F)c1 ZINC000790952469 625721959 /nfs/dbraw/zinc/72/19/59/625721959.db2.gz HDFMJCDQQBGUJQ-UHFFFAOYSA-N 1 1 313.731 3.492 20 10 DGCDMO COC(=O)C1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790960047 625723490 /nfs/dbraw/zinc/72/34/90/625723490.db2.gz SDXFCUMRZVNKFI-UHFFFAOYSA-N 1 1 315.772 3.006 20 10 DGCDMO CC(C)CC[C@@](C)(O)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790971107 625725927 /nfs/dbraw/zinc/72/59/27/625725927.db2.gz OTOUMMCNAOSXDX-OAHLLOKOSA-N 1 1 303.805 3.462 20 10 DGCDMO Cc1ccsc1[C@@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790972823 625727195 /nfs/dbraw/zinc/72/71/95/625727195.db2.gz HVKHNRGKVQZMEG-LLVKDONJSA-N 1 1 315.797 3.378 20 10 DGCDMO C[C@@H]1C[C@H](CC[NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000790986262 625730973 /nfs/dbraw/zinc/73/09/73/625730973.db2.gz LJEWPRGPIMVQBB-GHMZBOCLSA-N 1 1 301.789 3.480 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1Cc1ccccc1)OCO2 ZINC000026232857 625862720 /nfs/dbraw/zinc/86/27/20/625862720.db2.gz FGIYHVZYALZBST-MRXNPFEDSA-N 1 1 311.381 3.328 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000882967977 625879346 /nfs/dbraw/zinc/87/93/46/625879346.db2.gz YNKOHFVOFZRPCH-UHFFFAOYSA-N 1 1 321.323 3.122 20 10 DGCDMO COC(=O)CC[N@@H+](Cc1c(O)ccc(Cl)c1F)CC(C)C ZINC000792167392 625918811 /nfs/dbraw/zinc/91/88/11/625918811.db2.gz SCTQHQATZBDMGA-UHFFFAOYSA-N 1 1 317.788 3.206 20 10 DGCDMO COC(=O)CC[N@H+](Cc1c(O)ccc(Cl)c1F)CC(C)C ZINC000792167392 625918813 /nfs/dbraw/zinc/91/88/13/625918813.db2.gz SCTQHQATZBDMGA-UHFFFAOYSA-N 1 1 317.788 3.206 20 10 DGCDMO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883079620 625919095 /nfs/dbraw/zinc/91/90/95/625919095.db2.gz YMXXLJDSTMAOSX-TVQRCGJNSA-N 1 1 313.369 3.334 20 10 DGCDMO CN(Cc1c(O)ccc(Cl)c1F)CC1([NH+](C)C)CCC1 ZINC000792179096 625920442 /nfs/dbraw/zinc/92/04/42/625920442.db2.gz GWISQQWBHBYFKQ-UHFFFAOYSA-N 1 1 300.805 3.101 20 10 DGCDMO Oc1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C2 ZINC000883104454 625929356 /nfs/dbraw/zinc/92/93/56/625929356.db2.gz AEJNQUHRNOWRBP-AWEZNQCLSA-N 1 1 305.324 3.023 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000883195762 625966430 /nfs/dbraw/zinc/96/64/30/625966430.db2.gz BURNMSJGFHIPJP-HNNXBMFYSA-N 1 1 311.372 3.499 20 10 DGCDMO c1cc(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)n[nH]1 ZINC000796286506 626035086 /nfs/dbraw/zinc/03/50/86/626035086.db2.gz DZAVFCHFWZVGHR-UHFFFAOYSA-N 1 1 318.424 3.262 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CSC[C@H]2C)c1 ZINC000796480964 626054955 /nfs/dbraw/zinc/05/49/55/626054955.db2.gz BOKJBRDRMRXJNF-SKDRFNHKSA-N 1 1 316.264 3.304 20 10 DGCDMO COc1ccc(O)c(C[N@@H+]2CCC(C)=C(Br)C2)c1 ZINC000797605890 626159655 /nfs/dbraw/zinc/15/96/55/626159655.db2.gz XMPOAMRDQAZRJT-UHFFFAOYSA-N 1 1 312.207 3.275 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCC(C)=C(Br)C2)c1 ZINC000797605890 626159661 /nfs/dbraw/zinc/15/96/61/626159661.db2.gz XMPOAMRDQAZRJT-UHFFFAOYSA-N 1 1 312.207 3.275 20 10 DGCDMO OC[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)CC1CCCC1 ZINC000798503693 626222155 /nfs/dbraw/zinc/22/21/55/626222155.db2.gz LMOMZLIRVOOKEV-LBPRGKRZSA-N 1 1 315.816 3.463 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1O ZINC000798963652 626263843 /nfs/dbraw/zinc/26/38/43/626263843.db2.gz IIXDGEZXWCZTNT-GFCCVEGCSA-N 1 1 318.804 3.439 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@](C)(O)C(F)(F)F)cc1 ZINC000799106393 626271877 /nfs/dbraw/zinc/27/18/77/626271877.db2.gz FRMLPAJSKUVEOG-OAHLLOKOSA-N 1 1 318.383 3.278 20 10 DGCDMO CCCC[N@@H+](CC(=O)N1CCC(C)CC1)Cc1ccccc1O ZINC000801596066 626411305 /nfs/dbraw/zinc/41/13/05/626411305.db2.gz NQHPEAXUKCEQIE-UHFFFAOYSA-N 1 1 318.461 3.253 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)CC1(CC(=O)OC)CC1 ZINC000801595593 626411397 /nfs/dbraw/zinc/41/13/97/626411397.db2.gz OZWTZFMRYPFPQC-UHFFFAOYSA-N 1 1 305.418 3.338 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(C)(C)C ZINC000801599238 626411752 /nfs/dbraw/zinc/41/17/52/626411752.db2.gz GPQQOWIUVPNLKG-CQSZACIVSA-N 1 1 306.450 3.298 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H]1CCCN(C(C)C)C1=O ZINC000801599502 626411942 /nfs/dbraw/zinc/41/19/42/626411942.db2.gz QNGLFWQLDNOWJP-QGZVFWFLSA-N 1 1 318.461 3.394 20 10 DGCDMO Cc1sccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883283664 626636164 /nfs/dbraw/zinc/63/61/64/626636164.db2.gz NOXIPTCNGRZPBV-UHFFFAOYSA-N 1 1 315.486 3.098 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1C[C@@]3(CCCO3)[C@H]1C1CC1)CCCC2 ZINC000840100474 626759786 /nfs/dbraw/zinc/75/97/86/626759786.db2.gz YSUJLUOIPGPDFD-UXHICEINSA-N 1 1 313.441 3.414 20 10 DGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)c2nnnn2C2CC2)c1O ZINC000808716438 626853338 /nfs/dbraw/zinc/85/33/38/626853338.db2.gz NOLYMJIMNILMQT-UWVGGRQHSA-N 1 1 321.812 3.087 20 10 DGCDMO CCC[N@@H+](Cc1cnnn1-c1ccccc1)Cc1ccccc1O ZINC000808731964 626856244 /nfs/dbraw/zinc/85/62/44/626856244.db2.gz DWFTXSDRAPEKSG-UHFFFAOYSA-N 1 1 322.412 3.385 20 10 DGCDMO CC(C)(C)[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000808735836 626856275 /nfs/dbraw/zinc/85/62/75/626856275.db2.gz CDXKOIYNOOCWPW-QGZVFWFLSA-N 1 1 303.402 3.394 20 10 DGCDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840151507 626871925 /nfs/dbraw/zinc/87/19/25/626871925.db2.gz GTKWPPDHYSMNMM-INIZCTEOSA-N 1 1 320.477 3.310 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1 ZINC000840152782 626872459 /nfs/dbraw/zinc/87/24/59/626872459.db2.gz JDDXVKYSIVXJOE-CABCVRRESA-N 1 1 319.445 3.252 20 10 DGCDMO COc1cc(C)cc(C[N@H+](Cc2cnn(C)c2)CC(C)C)c1O ZINC000840156146 626878435 /nfs/dbraw/zinc/87/84/35/626878435.db2.gz CCCBJLCBONIYCR-UHFFFAOYSA-N 1 1 317.433 3.101 20 10 DGCDMO C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767723 626949895 /nfs/dbraw/zinc/94/98/95/626949895.db2.gz SBDLNVKUHMTCTE-IAQYHMDHSA-N 1 1 312.816 3.101 20 10 DGCDMO C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767723 626949898 /nfs/dbraw/zinc/94/98/98/626949898.db2.gz SBDLNVKUHMTCTE-IAQYHMDHSA-N 1 1 312.816 3.101 20 10 DGCDMO C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767723 626949900 /nfs/dbraw/zinc/94/99/00/626949900.db2.gz SBDLNVKUHMTCTE-IAQYHMDHSA-N 1 1 312.816 3.101 20 10 DGCDMO C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767724 626950315 /nfs/dbraw/zinc/95/03/15/626950315.db2.gz SBDLNVKUHMTCTE-NHYWBVRUSA-N 1 1 312.816 3.101 20 10 DGCDMO C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767724 626950317 /nfs/dbraw/zinc/95/03/17/626950317.db2.gz SBDLNVKUHMTCTE-NHYWBVRUSA-N 1 1 312.816 3.101 20 10 DGCDMO C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767724 626950320 /nfs/dbraw/zinc/95/03/20/626950320.db2.gz SBDLNVKUHMTCTE-NHYWBVRUSA-N 1 1 312.816 3.101 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccccc1N(C)C ZINC000809787446 626953186 /nfs/dbraw/zinc/95/31/86/626953186.db2.gz CUFKBKLJQCHZIG-UHFFFAOYSA-N 1 1 300.402 3.099 20 10 DGCDMO Fc1cc(C[N@H+]2CCC[C@H](C3CC3)C2)ccc1N1CCOCC1 ZINC000809786871 626953376 /nfs/dbraw/zinc/95/33/76/626953376.db2.gz NODPNTFHXFQYCG-KRWDZBQOSA-N 1 1 318.436 3.284 20 10 DGCDMO Cc1c[nH]nc1C[NH2+]CCc1cc(C)n(-c2ccccc2)c1C ZINC000810125170 626977822 /nfs/dbraw/zinc/97/78/22/626977822.db2.gz ATKOTMKQORZTJZ-UHFFFAOYSA-N 1 1 308.429 3.458 20 10 DGCDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000810124948 626978081 /nfs/dbraw/zinc/97/80/81/626978081.db2.gz LHCXKPSVHIBLBY-MRXNPFEDSA-N 1 1 319.493 3.222 20 10 DGCDMO COCc1nc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cs1 ZINC000810253655 626993409 /nfs/dbraw/zinc/99/34/09/626993409.db2.gz ZONXRIMDJFNDKR-BXKDBHETSA-N 1 1 322.405 3.472 20 10 DGCDMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@H]1C[C@]12CCOC2 ZINC000886064741 627097571 /nfs/dbraw/zinc/09/75/71/627097571.db2.gz HPNJGSGKZZPCKE-APWZRJJASA-N 1 1 313.397 3.414 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1c(O)cccc1F ZINC000886489281 627152106 /nfs/dbraw/zinc/15/21/06/627152106.db2.gz DWWIQFZRTPZJRM-LLVKDONJSA-N 1 1 303.333 3.153 20 10 DGCDMO CCNC(=O)c1ccc(C[NH2+][C@H](C)c2c(O)cccc2F)cc1 ZINC000886504146 627153936 /nfs/dbraw/zinc/15/39/36/627153936.db2.gz SSHOLHXAGRJENJ-GFCCVEGCSA-N 1 1 316.376 3.132 20 10 DGCDMO C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1c(O)cccc1F ZINC000886504239 627154164 /nfs/dbraw/zinc/15/41/64/627154164.db2.gz XSNJIUZIQLUOKT-JTQLQIEISA-N 1 1 308.319 3.066 20 10 DGCDMO C[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1c(O)cccc1F ZINC000886509029 627154478 /nfs/dbraw/zinc/15/44/78/627154478.db2.gz XWCOPKKRIAKOCZ-IUODEOHRSA-N 1 1 305.397 3.493 20 10 DGCDMO COCCOc1ccccc1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886508687 627154703 /nfs/dbraw/zinc/15/47/03/627154703.db2.gz KWDGXNDQSIGYDR-CYBMUJFWSA-N 1 1 319.376 3.407 20 10 DGCDMO C[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1c(O)cccc1F ZINC000886521148 627156138 /nfs/dbraw/zinc/15/61/38/627156138.db2.gz VTUAAJVBBIKOSP-NSHDSACASA-N 1 1 312.385 3.049 20 10 DGCDMO C[C@H]([NH2+]CCCCNc1ccccn1)c1c(O)cccc1F ZINC000886522818 627156895 /nfs/dbraw/zinc/15/68/95/627156895.db2.gz RDEJFYUYAQJJAR-ZDUSSCGKSA-N 1 1 303.381 3.469 20 10 DGCDMO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1c(O)cccc1F ZINC000886532234 627158418 /nfs/dbraw/zinc/15/84/18/627158418.db2.gz GHLNWSCPQOMCET-LLVKDONJSA-N 1 1 304.321 3.333 20 10 DGCDMO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2c(O)cccc2F)C1 ZINC000886536704 627158635 /nfs/dbraw/zinc/15/86/35/627158635.db2.gz NNEQOQHOPMIXCE-AZZPWZESSA-N 1 1 313.438 3.262 20 10 DGCDMO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886547543 627161004 /nfs/dbraw/zinc/16/10/04/627161004.db2.gz NBKJJMXDPSHKNI-DVOMOZLQSA-N 1 1 303.377 3.347 20 10 DGCDMO C[C@@H]([NH2+]CCOc1ncccc1Cl)c1c(O)cccc1F ZINC000886552347 627162075 /nfs/dbraw/zinc/16/20/75/627162075.db2.gz ZPVOEIRWHVEUQW-SNVBAGLBSA-N 1 1 310.756 3.309 20 10 DGCDMO C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1c(O)cccc1F ZINC000886555235 627162422 /nfs/dbraw/zinc/16/24/22/627162422.db2.gz NYEDAIMXKTXIBH-KPZWWZAWSA-N 1 1 301.361 3.016 20 10 DGCDMO C[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886556936 627163144 /nfs/dbraw/zinc/16/31/44/627163144.db2.gz NOHHCYSUANTGTP-APPDUMDISA-N 1 1 307.340 3.229 20 10 DGCDMO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2c(O)cccc2F)c1 ZINC000886596533 627169777 /nfs/dbraw/zinc/16/97/77/627169777.db2.gz HOCDMLQXECUSJM-DZGCQCFKSA-N 1 1 303.377 3.094 20 10 DGCDMO CNC(=O)C[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccccc1 ZINC000886605045 627171582 /nfs/dbraw/zinc/17/15/82/627171582.db2.gz IMSYXFMRRGDFEJ-WFASDCNBSA-N 1 1 316.376 3.059 20 10 DGCDMO C[C@@H]([NH2+][C@H](CCO)c1ccccc1F)c1c(O)cccc1F ZINC000886630308 627176726 /nfs/dbraw/zinc/17/67/26/627176726.db2.gz ZNLQOIUMQPZPQV-IAQYHMDHSA-N 1 1 307.340 3.445 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1c(O)cccc1F ZINC000886632852 627177178 /nfs/dbraw/zinc/17/71/78/627177178.db2.gz HRXXXQSEOOIPJQ-NHYWBVRUSA-N 1 1 314.360 3.135 20 10 DGCDMO C[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1c(O)cccc1F ZINC000886631882 627177370 /nfs/dbraw/zinc/17/73/70/627177370.db2.gz YMZDCVOOQRDKSC-DJJJIMSYSA-N 1 1 315.388 3.058 20 10 DGCDMO CNC(=O)CC1(C[NH2+][C@H](C)c2c(O)cccc2F)CCCCC1 ZINC000886640162 627178606 /nfs/dbraw/zinc/17/86/06/627178606.db2.gz SWRLDYWQJQPJQQ-CYBMUJFWSA-N 1 1 322.424 3.269 20 10 DGCDMO C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1c(O)cccc1F ZINC000886649465 627180536 /nfs/dbraw/zinc/18/05/36/627180536.db2.gz BFVRFUQWVJRQCU-VIFPVBQESA-N 1 1 317.286 3.097 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1)c1ccc(F)cc1O ZINC000886767050 627202632 /nfs/dbraw/zinc/20/26/32/627202632.db2.gz YMIKYUOEKFHRAK-WIRVQXDCSA-N 1 1 323.408 3.299 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(O)c1 ZINC000811510347 627285041 /nfs/dbraw/zinc/28/50/41/627285041.db2.gz CWLZGXJRXRSPDZ-IRXDYDNUSA-N 1 1 305.418 3.180 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000811513390 627286403 /nfs/dbraw/zinc/28/64/03/627286403.db2.gz VHMVBAIUHKXYTK-SFHVURJKSA-N 1 1 308.425 3.338 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(O)c1 ZINC000811521051 627287299 /nfs/dbraw/zinc/28/72/99/627287299.db2.gz XVUCZSFUEDXTAP-CQSZACIVSA-N 1 1 321.808 3.088 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](n3cccn3)C2)cc1F ZINC000812780380 627419560 /nfs/dbraw/zinc/41/95/60/627419560.db2.gz CDBDXFZPBTXBFA-MRXNPFEDSA-N 1 1 316.424 3.315 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000812780803 627419750 /nfs/dbraw/zinc/41/97/50/627419750.db2.gz SWXFGGVUDOEXEQ-CQSZACIVSA-N 1 1 316.367 3.382 20 10 DGCDMO CC[N@H+](Cc1cc(C)cc(Br)c1O)[C@H]1CCOC1 ZINC000812780719 627419830 /nfs/dbraw/zinc/41/98/30/627419830.db2.gz PCHDBWJLTCPLRG-LBPRGKRZSA-N 1 1 314.223 3.074 20 10 DGCDMO CC[N@@H+](Cc1cc(C)cc(Br)c1O)[C@H]1CCOC1 ZINC000812780719 627419831 /nfs/dbraw/zinc/41/98/31/627419831.db2.gz PCHDBWJLTCPLRG-LBPRGKRZSA-N 1 1 314.223 3.074 20 10 DGCDMO Cc1cc(C[N@H+](Cc2ccccc2)C[C@H](C)O)ccc1N(C)C ZINC000815052823 627619618 /nfs/dbraw/zinc/61/96/18/627619618.db2.gz CFQQJZYMMLPDJG-KRWDZBQOSA-N 1 1 312.457 3.444 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)ccc1N(C)C ZINC000815074237 627623010 /nfs/dbraw/zinc/62/30/10/627623010.db2.gz MVFNTLLAMBDPJY-ROUUACIJSA-N 1 1 302.462 3.310 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)ccc1N(C)C ZINC000815075940 627623025 /nfs/dbraw/zinc/62/30/25/627623025.db2.gz OSOKOACADGSSGF-GOSISDBHSA-N 1 1 302.462 3.310 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2C[C@@H](N3CCCC3)C[C@@H]2C)cc1 ZINC000815117415 627628818 /nfs/dbraw/zinc/62/88/18/627628818.db2.gz MDEIFLGRGXIFKK-LPHOPBHVSA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](N3CCCC3)C[C@@H]2C)cc1 ZINC000815117415 627628822 /nfs/dbraw/zinc/62/88/22/627628822.db2.gz MDEIFLGRGXIFKK-LPHOPBHVSA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCCC3)[C@H]2C)cc1 ZINC000815118168 627630310 /nfs/dbraw/zinc/63/03/10/627630310.db2.gz LALUBYPZQTYZKZ-VQIMIIECSA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](N3CCCC3)[C@H]2C)cc1 ZINC000815118168 627630313 /nfs/dbraw/zinc/63/03/13/627630313.db2.gz LALUBYPZQTYZKZ-VQIMIIECSA-N 1 1 301.478 3.201 20 10 DGCDMO CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815560718 627685142 /nfs/dbraw/zinc/68/51/42/627685142.db2.gz NYFNUEYFTAZFIK-VXGBXAGGSA-N 1 1 316.367 3.403 20 10 DGCDMO C[C@@H]([NH2+]CCOCC1CC1)c1cccc(C(F)(F)F)c1O ZINC000815577998 627686171 /nfs/dbraw/zinc/68/61/71/627686171.db2.gz FGWQZQSHWJIYPH-SNVBAGLBSA-N 1 1 303.324 3.488 20 10 DGCDMO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815582816 627687558 /nfs/dbraw/zinc/68/75/58/627687558.db2.gz PRTPLFXOPVXKEZ-VHSXEESVSA-N 1 1 323.380 3.176 20 10 DGCDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)nn1 ZINC000924870230 627689399 /nfs/dbraw/zinc/68/93/99/627689399.db2.gz KFQAYYUZBLECRV-CQSZACIVSA-N 1 1 313.449 3.092 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC000925080674 627706705 /nfs/dbraw/zinc/70/67/05/627706705.db2.gz NZKCECMXZOFSFN-CQSZACIVSA-N 1 1 301.438 3.084 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000925784220 627794715 /nfs/dbraw/zinc/79/47/15/627794715.db2.gz IFRALTFEQQYBRU-SUNKGSAMSA-N 1 1 316.367 3.307 20 10 DGCDMO COCC[N@@H+](Cc1ccco1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816490008 627795970 /nfs/dbraw/zinc/79/59/70/627795970.db2.gz JLHFAYQZWKHWOZ-UHFFFAOYSA-N 1 1 313.756 3.426 20 10 DGCDMO [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000816492783 627796124 /nfs/dbraw/zinc/79/61/24/627796124.db2.gz CIASSGUAZLRDGS-JTQLQIEISA-N 1 1 309.772 3.287 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000816492783 627796126 /nfs/dbraw/zinc/79/61/26/627796126.db2.gz CIASSGUAZLRDGS-JTQLQIEISA-N 1 1 309.772 3.287 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000816492783 627796128 /nfs/dbraw/zinc/79/61/28/627796128.db2.gz CIASSGUAZLRDGS-JTQLQIEISA-N 1 1 309.772 3.287 20 10 DGCDMO CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816484093 627796375 /nfs/dbraw/zinc/79/63/75/627796375.db2.gz PKHYXMLAEAXYOZ-UHFFFAOYSA-N 1 1 300.805 3.101 20 10 DGCDMO CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816484093 627796381 /nfs/dbraw/zinc/79/63/81/627796381.db2.gz PKHYXMLAEAXYOZ-UHFFFAOYSA-N 1 1 300.805 3.101 20 10 DGCDMO OCC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccs1 ZINC000816552497 627805664 /nfs/dbraw/zinc/80/56/64/627805664.db2.gz NZTXHBPZQBNBJU-GFCCVEGCSA-N 1 1 315.797 3.460 20 10 DGCDMO COC[C@@H]1CCCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816571072 627809957 /nfs/dbraw/zinc/80/99/57/627809957.db2.gz RHUWHJJJOSAXBK-LLVKDONJSA-N 1 1 301.789 3.433 20 10 DGCDMO COC[C@@H]1CCCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816571072 627809961 /nfs/dbraw/zinc/80/99/61/627809961.db2.gz RHUWHJJJOSAXBK-LLVKDONJSA-N 1 1 301.789 3.433 20 10 DGCDMO OCC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC2(CCC2)C1 ZINC000816593957 627812306 /nfs/dbraw/zinc/81/23/06/627812306.db2.gz KXOKEKBDYMCBLG-UHFFFAOYSA-N 1 1 313.800 3.217 20 10 DGCDMO COCCO[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816600413 627813765 /nfs/dbraw/zinc/81/37/65/627813765.db2.gz WEOWPGKJAXRDNU-KRWDZBQOSA-N 1 1 315.413 3.173 20 10 DGCDMO CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816610373 627814717 /nfs/dbraw/zinc/81/47/17/627814717.db2.gz IMOVWLNFWMDZOU-LLVKDONJSA-N 1 1 300.805 3.005 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)C[C@H](C)[S@@]1=O ZINC000816608817 627814873 /nfs/dbraw/zinc/81/48/73/627814873.db2.gz KEOGOYBZQDJKHQ-IATAILRESA-N 1 1 317.454 3.277 20 10 DGCDMO CCOc1ccc(O)c(CN2CC[N@@H+](C)Cc3ccccc32)c1 ZINC000816617839 627815781 /nfs/dbraw/zinc/81/57/81/627815781.db2.gz JWMCJRBYLSWOSJ-UHFFFAOYSA-N 1 1 312.413 3.243 20 10 DGCDMO COC[C@H]1CC[N@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000816636611 627817552 /nfs/dbraw/zinc/81/75/52/627817552.db2.gz CBQHKSVKPQGYNN-HXUWFJFHSA-N 1 1 322.452 3.470 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1F ZINC000816665980 627822430 /nfs/dbraw/zinc/82/24/30/627822430.db2.gz BHWGZONPNIWUKC-QZTJIDSGSA-N 1 1 304.409 3.035 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1F ZINC000816665980 627822437 /nfs/dbraw/zinc/82/24/37/627822437.db2.gz BHWGZONPNIWUKC-QZTJIDSGSA-N 1 1 304.409 3.035 20 10 DGCDMO Cc1cc(C[NH2+]Cc2cccc(Br)c2O)cc(C)n1 ZINC000817409722 627894372 /nfs/dbraw/zinc/89/43/72/627894372.db2.gz FGIGOBGNPIFFFE-UHFFFAOYSA-N 1 1 321.218 3.456 20 10 DGCDMO COc1ccc(C[NH2+]C(C)(C)c2cn(C(C)C)nn2)cc1C ZINC000817420489 627898159 /nfs/dbraw/zinc/89/81/59/627898159.db2.gz UBTRSRMTJCHVOY-UHFFFAOYSA-N 1 1 302.422 3.201 20 10 DGCDMO CC[C@H]([NH2+][C@@H](C)C1(OC)CCOCC1)c1ccc(F)cc1O ZINC000817588847 627927393 /nfs/dbraw/zinc/92/73/93/627927393.db2.gz RSNGNSFJZZAJNV-WFASDCNBSA-N 1 1 311.397 3.156 20 10 DGCDMO CC[C@@H]([NH2+][C@@H](C)C1(OC)CCOCC1)c1ccc(F)cc1O ZINC000817588846 627927659 /nfs/dbraw/zinc/92/76/59/627927659.db2.gz RSNGNSFJZZAJNV-SWLSCSKDSA-N 1 1 311.397 3.156 20 10 DGCDMO Cc1cc(C[NH2+][C@H](C)c2cnn(C)n2)c(C)n1-c1cccc(C)c1 ZINC000926765649 627949686 /nfs/dbraw/zinc/94/96/86/627949686.db2.gz XZZMTQPKIJTVQO-OAHLLOKOSA-N 1 1 323.444 3.382 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2cccc(C3CC3)c2)cc1 ZINC000817864417 627951052 /nfs/dbraw/zinc/95/10/52/627951052.db2.gz GTYPFISKDQYKKC-HXUWFJFHSA-N 1 1 309.457 3.420 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000817894841 627954346 /nfs/dbraw/zinc/95/43/46/627954346.db2.gz QRVZSFSHBSGROH-OXJNMPFZSA-N 1 1 311.473 3.109 20 10 DGCDMO Cc1cc(N(C)C)ccc1CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817894841 627954349 /nfs/dbraw/zinc/95/43/49/627954349.db2.gz QRVZSFSHBSGROH-OXJNMPFZSA-N 1 1 311.473 3.109 20 10 DGCDMO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817898590 627956334 /nfs/dbraw/zinc/95/63/34/627956334.db2.gz JNDGDXOZNSQFKH-DYESRHJHSA-N 1 1 323.484 3.335 20 10 DGCDMO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000817898590 627956336 /nfs/dbraw/zinc/95/63/36/627956336.db2.gz JNDGDXOZNSQFKH-DYESRHJHSA-N 1 1 323.484 3.335 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1F ZINC000817903189 627957398 /nfs/dbraw/zinc/95/73/98/627957398.db2.gz JOEXHFAMTHSZCH-RHSMWYFYSA-N 1 1 307.457 3.150 20 10 DGCDMO COc1ccc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938362 627966594 /nfs/dbraw/zinc/96/65/94/627966594.db2.gz JKJVGUQYRRGWMK-LIRRHRJNSA-N 1 1 313.445 3.112 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000817938170 627966747 /nfs/dbraw/zinc/96/67/47/627966747.db2.gz GABVGLMDLRQUFL-XIKOKIGWSA-N 1 1 319.399 3.381 20 10 DGCDMO Cc1ccc2c(c1)CC[C@@H]2NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938557 627966880 /nfs/dbraw/zinc/96/68/80/627966880.db2.gz MZMAICANSUOCOG-UXHICEINSA-N 1 1 309.457 3.338 20 10 DGCDMO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000817938793 627967372 /nfs/dbraw/zinc/96/73/72/627967372.db2.gz SLMGXSZXBPVSCA-SCLBCKFNSA-N 1 1 301.409 3.242 20 10 DGCDMO Cc1ccsc1[C@@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938953 627967593 /nfs/dbraw/zinc/96/75/93/627967593.db2.gz WFFPNQSMCIZVLV-CJNGLKHVSA-N 1 1 303.475 3.473 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000817942771 627969885 /nfs/dbraw/zinc/96/98/85/627969885.db2.gz QVVXXSMQQGPEQI-DLBZAZTESA-N 1 1 316.424 3.027 20 10 DGCDMO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)nc1 ZINC000817944300 627969913 /nfs/dbraw/zinc/96/99/13/627969913.db2.gz ZASUBBGCJZSUED-LRDDRELGSA-N 1 1 318.852 3.152 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CN[C@@H](c2cccnc2)C2CCC2)cc1 ZINC000817943263 627970030 /nfs/dbraw/zinc/97/00/30/627970030.db2.gz SXJZCELRPOIATI-WOJBJXKFSA-N 1 1 324.472 3.278 20 10 DGCDMO Oc1ccccc1[C@@H](CCc1ccccc1)NCC[NH2+]C1CC1 ZINC000817953355 627973684 /nfs/dbraw/zinc/97/36/84/627973684.db2.gz LDRPMVIVCWTVBI-LJQANCHMSA-N 1 1 310.441 3.408 20 10 DGCDMO C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968764 627978535 /nfs/dbraw/zinc/97/85/35/627978535.db2.gz MBVRPDBONKOVEK-HOTUBEGUSA-N 1 1 303.233 3.348 20 10 DGCDMO C[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000817971194 627980034 /nfs/dbraw/zinc/98/00/34/627980034.db2.gz KKEHYUWFIWEFMY-BXWFABGCSA-N 1 1 301.478 3.326 20 10 DGCDMO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(F)cc1O ZINC000927015944 627998058 /nfs/dbraw/zinc/99/80/58/627998058.db2.gz RTKVIWWDSMNCFA-ZBFHGGJFSA-N 1 1 323.408 3.300 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(F)cc1O ZINC000927015941 627998359 /nfs/dbraw/zinc/99/83/59/627998359.db2.gz RTKVIWWDSMNCFA-GOEBONIOSA-N 1 1 323.408 3.300 20 10 DGCDMO CN(Cc1cccs1)c1ccc(CNCCC[NH+](C)C)cc1 ZINC000823584174 628576446 /nfs/dbraw/zinc/57/64/46/628576446.db2.gz DOLAWCZLDGFPET-UHFFFAOYSA-N 1 1 317.502 3.426 20 10 DGCDMO CN(C)CCC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823584174 628576449 /nfs/dbraw/zinc/57/64/49/628576449.db2.gz DOLAWCZLDGFPET-UHFFFAOYSA-N 1 1 317.502 3.426 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2ccncc2F)cc1F ZINC000823842943 628601748 /nfs/dbraw/zinc/60/17/48/628601748.db2.gz UNFUSBWDKUCHFL-UHFFFAOYSA-N 1 1 305.372 3.496 20 10 DGCDMO C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[N@@H+](C2CC2)C1 ZINC000824445587 628661211 /nfs/dbraw/zinc/66/12/11/628661211.db2.gz GEJLRVHRGJDNCW-NSHDSACASA-N 1 1 312.816 3.101 20 10 DGCDMO C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[N@H+](C2CC2)C1 ZINC000824445587 628661213 /nfs/dbraw/zinc/66/12/13/628661213.db2.gz GEJLRVHRGJDNCW-NSHDSACASA-N 1 1 312.816 3.101 20 10 DGCDMO CC[N@@H+](Cc1ccnn1CC1CC1)Cc1ccc(N(C)C)cc1 ZINC000824484682 628665053 /nfs/dbraw/zinc/66/50/53/628665053.db2.gz QJTBAYINGCQMER-UHFFFAOYSA-N 1 1 312.461 3.381 20 10 DGCDMO COC[C@H](C)Oc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000824593631 628675136 /nfs/dbraw/zinc/67/51/36/628675136.db2.gz RHXWJWWEIJDPAY-HNNXBMFYSA-N 1 1 315.413 3.438 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2ccnc(C)c2)c1 ZINC000824596796 628675421 /nfs/dbraw/zinc/67/54/21/628675421.db2.gz LLPHQMPMGPQMNN-UHFFFAOYSA-N 1 1 321.218 3.456 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000824636471 628679516 /nfs/dbraw/zinc/67/95/16/628679516.db2.gz QRRXUISUBNFAKA-HKUYNNGSSA-N 1 1 315.388 3.001 20 10 DGCDMO CS[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000824683588 628683316 /nfs/dbraw/zinc/68/33/16/628683316.db2.gz RCWIXHLKKDIDSD-NSHDSACASA-N 1 1 316.264 3.400 20 10 DGCDMO CS[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000824683588 628683317 /nfs/dbraw/zinc/68/33/17/628683317.db2.gz RCWIXHLKKDIDSD-NSHDSACASA-N 1 1 316.264 3.400 20 10 DGCDMO CS[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000824683588 628683320 /nfs/dbraw/zinc/68/33/20/628683320.db2.gz RCWIXHLKKDIDSD-NSHDSACASA-N 1 1 316.264 3.400 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000824696326 628684679 /nfs/dbraw/zinc/68/46/79/628684679.db2.gz LJXXNAKDVQSPEJ-GUDVDZBRSA-N 1 1 302.462 3.268 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000824696313 628684871 /nfs/dbraw/zinc/68/48/71/628684871.db2.gz KXJURFRMTFENJT-ZACQAIPSSA-N 1 1 319.445 3.306 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1F ZINC000824715096 628686077 /nfs/dbraw/zinc/68/60/77/628686077.db2.gz HQNLEOBRZORQCM-KYJSFNMBSA-N 1 1 306.425 3.017 20 10 DGCDMO COc1c(O)c(C[NH2+]CC2CCCCCC2)ccc1[N+](=O)[O-] ZINC000824790658 628694184 /nfs/dbraw/zinc/69/41/84/628694184.db2.gz ZUEKVTIVWDYJHP-UHFFFAOYSA-N 1 1 308.378 3.369 20 10 DGCDMO CCn1cc([C@H](C)[NH2+]Cc2cccc(Br)c2O)cn1 ZINC000825129715 628730985 /nfs/dbraw/zinc/73/09/85/628730985.db2.gz BKTTZBCXQMUJEZ-JTQLQIEISA-N 1 1 324.222 3.222 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c(O)c(C(C)(C)C)c1 ZINC000825501261 628769173 /nfs/dbraw/zinc/76/91/73/628769173.db2.gz NTYFIZWMLYQPSO-MRXNPFEDSA-N 1 1 321.461 3.434 20 10 DGCDMO COc1cc(C[N@@H+](C)CC2(O)CCC2)c(O)c(C(C)(C)C)c1 ZINC000825514979 628770813 /nfs/dbraw/zinc/77/08/13/628770813.db2.gz WCKGBTSNNADESU-UHFFFAOYSA-N 1 1 307.434 3.045 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1Cl ZINC000825928211 628811054 /nfs/dbraw/zinc/81/10/54/628811054.db2.gz NUMXYOBARHXOBC-GFCCVEGCSA-N 1 1 305.809 3.077 20 10 DGCDMO COc1cc(C[N@H+](C)Cc2c[nH]cn2)c(O)c(C(C)(C)C)c1 ZINC000826768821 628884318 /nfs/dbraw/zinc/88/43/18/628884318.db2.gz FTRQFAZCMKIZLZ-UHFFFAOYSA-N 1 1 303.406 3.053 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2c[nH]cn2)c(O)c(C(C)(C)C)c1 ZINC000826768821 628884321 /nfs/dbraw/zinc/88/43/21/628884321.db2.gz FTRQFAZCMKIZLZ-UHFFFAOYSA-N 1 1 303.406 3.053 20 10 DGCDMO FCC[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000827270734 628943866 /nfs/dbraw/zinc/94/38/66/628943866.db2.gz DSTAUCCWBTWOEL-OAHLLOKOSA-N 1 1 324.415 3.234 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1O ZINC000827686777 628982994 /nfs/dbraw/zinc/98/29/94/628982994.db2.gz GFLFGQCRZVYKGZ-ZDUSSCGKSA-N 1 1 324.852 3.091 20 10 DGCDMO Cc1cccc(C[N@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1O ZINC000827786747 628991008 /nfs/dbraw/zinc/99/10/08/628991008.db2.gz LKMPLEFQFWTQSZ-AAEUAGOBSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1cccc(C[N@@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1O ZINC000827786747 628991010 /nfs/dbraw/zinc/99/10/10/628991010.db2.gz LKMPLEFQFWTQSZ-AAEUAGOBSA-N 1 1 303.324 3.242 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](CCC[C@@H]3CCOC3)CC2)cc1 ZINC000827802238 628992682 /nfs/dbraw/zinc/99/26/82/628992682.db2.gz CULRWJWGQZHOPC-QGZVFWFLSA-N 1 1 318.461 3.024 20 10 DGCDMO C[N@@H+](CC1=CCSC1)Cc1cccc(Br)c1[O-] ZINC000827806868 628993329 /nfs/dbraw/zinc/99/33/29/628993329.db2.gz WZGUZKWQFGDQGV-UHFFFAOYSA-N 1 1 314.248 3.260 20 10 DGCDMO C[N@H+](CC1=CCSC1)Cc1cccc(Br)c1O ZINC000827806868 628993332 /nfs/dbraw/zinc/99/33/32/628993332.db2.gz WZGUZKWQFGDQGV-UHFFFAOYSA-N 1 1 314.248 3.260 20 10 DGCDMO C[N@@H+](CC1=CCSC1)Cc1cccc(Br)c1O ZINC000827806868 628993334 /nfs/dbraw/zinc/99/33/34/628993334.db2.gz WZGUZKWQFGDQGV-UHFFFAOYSA-N 1 1 314.248 3.260 20 10 DGCDMO CCc1cccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1O ZINC000827849115 628996744 /nfs/dbraw/zinc/99/67/44/628996744.db2.gz AAYGBMDCSZGHNX-KDURUIRLSA-N 1 1 301.430 3.347 20 10 DGCDMO Cc1cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)ccc1N1CCCCC1 ZINC000828785147 629092163 /nfs/dbraw/zinc/09/21/63/629092163.db2.gz CLMKNTQHTFUVHB-KSFYIVLOSA-N 1 1 322.518 3.184 20 10 DGCDMO Cc1cc(C[N@@H+]2CCC(=O)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000828964846 629114523 /nfs/dbraw/zinc/11/45/23/629114523.db2.gz ITCMBORPZVNRGV-INIZCTEOSA-N 1 1 300.446 3.396 20 10 DGCDMO Cc1cc(C[N@H+]2CCC(=O)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000828964846 629114527 /nfs/dbraw/zinc/11/45/27/629114527.db2.gz ITCMBORPZVNRGV-INIZCTEOSA-N 1 1 300.446 3.396 20 10 DGCDMO Cc1cc(C[N@H+](C)CC2(CO)CC2)ccc1N1CCCCC1 ZINC000829107320 629130650 /nfs/dbraw/zinc/13/06/50/629130650.db2.gz PJGIAFBGAVPGSO-UHFFFAOYSA-N 1 1 302.462 3.190 20 10 DGCDMO COCCOCC[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829932153 629209960 /nfs/dbraw/zinc/20/99/60/629209960.db2.gz ZTAIGMMPHKDQEW-UHFFFAOYSA-N 1 1 320.477 3.080 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@H](O)CC2)ccc1N1CCCCC1 ZINC000830052102 629220679 /nfs/dbraw/zinc/22/06/79/629220679.db2.gz IOBXCZAFLROCOU-SFHVURJKSA-N 1 1 302.462 3.332 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1N(C)C ZINC000831166521 629345373 /nfs/dbraw/zinc/34/53/73/629345373.db2.gz UACDZQPAMOKVNI-BHIYHBOVSA-N 1 1 302.462 3.186 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1cccc(C(F)(F)F)c1O ZINC000834870813 629794104 /nfs/dbraw/zinc/79/41/04/629794104.db2.gz KNWHJIDBWLSEEQ-WDEREUQCSA-N 1 1 305.340 3.470 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)cs2)c1 ZINC000834882048 629796849 /nfs/dbraw/zinc/79/68/49/629796849.db2.gz DHZFSIAODZSYGM-LLVKDONJSA-N 1 1 305.399 3.400 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000834907596 629806259 /nfs/dbraw/zinc/80/62/59/629806259.db2.gz XGZDMWWHOFBXDW-HRDYMLBCSA-N 1 1 317.216 3.004 20 10 DGCDMO CN(C)c1ccc(/C=C\CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000835026452 629827991 /nfs/dbraw/zinc/82/79/91/629827991.db2.gz WSOWXFMZEVLPMY-YEODSOHDSA-N 1 1 301.478 3.039 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1 ZINC000835026452 629828033 /nfs/dbraw/zinc/82/80/33/629828033.db2.gz WSOWXFMZEVLPMY-YEODSOHDSA-N 1 1 301.478 3.039 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1 ZINC000835026452 629828040 /nfs/dbraw/zinc/82/80/40/629828040.db2.gz WSOWXFMZEVLPMY-YEODSOHDSA-N 1 1 301.478 3.039 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000835029570 629828782 /nfs/dbraw/zinc/82/87/82/629828782.db2.gz RKSWMYYAVUROTM-MGDPNLISSA-N 1 1 300.446 3.267 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1 ZINC000835029266 629828924 /nfs/dbraw/zinc/82/89/24/629828924.db2.gz RXHBFOBPOQSIPW-PYTPGESOSA-N 1 1 324.472 3.064 20 10 DGCDMO CC[N@@H+]1CCC[C@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835035245 629830296 /nfs/dbraw/zinc/83/02/96/629830296.db2.gz FADIEOGVTHEURB-LZCIBIBXSA-N 1 1 301.478 3.087 20 10 DGCDMO CC[N@H+]1CCC[C@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835035245 629830298 /nfs/dbraw/zinc/83/02/98/629830298.db2.gz FADIEOGVTHEURB-LZCIBIBXSA-N 1 1 301.478 3.087 20 10 DGCDMO CN(C)c1ccc(/C=C/CN[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000835044130 629833594 /nfs/dbraw/zinc/83/35/94/629833594.db2.gz WWKPLOHTMDHXRN-WAQVGJNASA-N 1 1 301.478 3.228 20 10 DGCDMO COC(=O)[C@@H](C)C[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835043940 629834134 /nfs/dbraw/zinc/83/41/34/629834134.db2.gz CRCRDRPNWNFZCW-NFAHFFEMSA-N 1 1 316.445 3.039 20 10 DGCDMO Cc1nnc([C@H](C)[NH2+]C/C=C/c2ccc(N(C)C)cc2)s1 ZINC000835046932 629834673 /nfs/dbraw/zinc/83/46/73/629834673.db2.gz AJKMQVVFLJPBNW-FYJFLYSWSA-N 1 1 302.447 3.277 20 10 DGCDMO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@@H](O)C(F)(F)F ZINC000835046600 629834988 /nfs/dbraw/zinc/83/49/88/629834988.db2.gz TYQBYRFNKUOOLT-LLYBFZRZSA-N 1 1 316.367 3.011 20 10 DGCDMO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@@H](O)C(F)(F)F ZINC000835046600 629834999 /nfs/dbraw/zinc/83/49/99/629834999.db2.gz TYQBYRFNKUOOLT-LLYBFZRZSA-N 1 1 316.367 3.011 20 10 DGCDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835045881 629835015 /nfs/dbraw/zinc/83/50/15/629835015.db2.gz LGXUNBZVHPIBMB-CDNLZTBQSA-N 1 1 317.477 3.001 20 10 DGCDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835045881 629835016 /nfs/dbraw/zinc/83/50/16/629835016.db2.gz LGXUNBZVHPIBMB-CDNLZTBQSA-N 1 1 317.477 3.001 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000835049550 629836380 /nfs/dbraw/zinc/83/63/80/629836380.db2.gz KAEYMBVNYXFOJN-FSUAIEIUSA-N 1 1 300.446 3.409 20 10 DGCDMO CC(C)[N@H+]1CC[C@H](N(C)C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835054616 629838320 /nfs/dbraw/zinc/83/83/20/629838320.db2.gz LOHBLQFXOABURE-RURPWVQCSA-N 1 1 301.478 3.180 20 10 DGCDMO C[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC[N@H+](C2CC2)C1 ZINC000835055548 629838805 /nfs/dbraw/zinc/83/88/05/629838805.db2.gz WATDATCUXOHLKZ-CHYADLBTSA-N 1 1 313.489 3.182 20 10 DGCDMO C[C@@H]1CN(C2CC2)CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835055548 629838816 /nfs/dbraw/zinc/83/88/16/629838816.db2.gz WATDATCUXOHLKZ-CHYADLBTSA-N 1 1 313.489 3.182 20 10 DGCDMO C[C@@H]1CN(C2CC2)CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835055548 629838820 /nfs/dbraw/zinc/83/88/20/629838820.db2.gz WATDATCUXOHLKZ-CHYADLBTSA-N 1 1 313.489 3.182 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000835055877 629839573 /nfs/dbraw/zinc/83/95/73/629839573.db2.gz OQPWUWCUJFEKFV-NFYQCCHDSA-N 1 1 312.457 3.409 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000835055877 629839575 /nfs/dbraw/zinc/83/95/75/629839575.db2.gz OQPWUWCUJFEKFV-NFYQCCHDSA-N 1 1 312.457 3.409 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000840893779 630373944 /nfs/dbraw/zinc/37/39/44/630373944.db2.gz LSIXVXPUXLNSJB-KSSFIOAISA-N 1 1 312.461 3.382 20 10 DGCDMO CCC1(CC)C[N@H+](Cc2ccc(N(C)C)cc2C)CC[S@@]1=O ZINC000840938789 630381536 /nfs/dbraw/zinc/38/15/36/630381536.db2.gz RIOXTZGYQJWTQU-QFIPXVFZSA-N 1 1 322.518 3.184 20 10 DGCDMO CCC1(CC)C[N@@H+](Cc2ccc(N(C)C)cc2C)CC[S@@]1=O ZINC000840938789 630381537 /nfs/dbraw/zinc/38/15/37/630381537.db2.gz RIOXTZGYQJWTQU-QFIPXVFZSA-N 1 1 322.518 3.184 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000840956128 630384778 /nfs/dbraw/zinc/38/47/78/630384778.db2.gz DDPXPRVMJYXPHP-SJLPKXTDSA-N 1 1 313.397 3.099 20 10 DGCDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000840978137 630390337 /nfs/dbraw/zinc/39/03/37/630390337.db2.gz LKEMROZDUMYQNJ-WMZOPIPTSA-N 1 1 302.462 3.270 20 10 DGCDMO CCN(CC)c1ccc(CN[C@H](C)[C@H]2CCC[NH2+]C2)cc1F ZINC000841032236 630399128 /nfs/dbraw/zinc/39/91/28/630399128.db2.gz AEQVSWBACUPVFD-ZBFHGGJFSA-N 1 1 307.457 3.150 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(Cl)cc2)cc1 ZINC000841041441 630400706 /nfs/dbraw/zinc/40/07/06/630400706.db2.gz CGDVKHRNEWEMKN-KRWDZBQOSA-N 1 1 303.837 3.196 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccnc3ccccc23)cc1 ZINC000841042834 630401189 /nfs/dbraw/zinc/40/11/89/630401189.db2.gz LOWIBFWZHJKERU-IBGZPJMESA-N 1 1 320.440 3.090 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CNC/C=C/c2ccc(F)cc2)cc1 ZINC000841046053 630401884 /nfs/dbraw/zinc/40/18/84/630401884.db2.gz VJYDAJFRUILBEW-GNAXCBTBSA-N 1 1 313.420 3.195 20 10 DGCDMO CCCN(CCC)c1ccc(CN[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000841064652 630403627 /nfs/dbraw/zinc/40/36/27/630403627.db2.gz RZOQSUQLHPACPZ-APWZRJJASA-N 1 1 303.494 3.401 20 10 DGCDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc(N)cc2)C1 ZINC000841302081 630425656 /nfs/dbraw/zinc/42/56/56/630425656.db2.gz LCUSNDOIHXRPQF-GASCZTMLSA-N 1 1 318.465 3.148 20 10 DGCDMO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(Cl)cc1O ZINC000841745767 630461909 /nfs/dbraw/zinc/46/19/09/630461909.db2.gz SSGADGWUONCWDU-LLVKDONJSA-N 1 1 311.809 3.382 20 10 DGCDMO COCC1(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)CCOCC1 ZINC000841757967 630462955 /nfs/dbraw/zinc/46/29/55/630462955.db2.gz QHJBCJMCYSHYLH-LBPRGKRZSA-N 1 1 313.825 3.139 20 10 DGCDMO C[C@H]([NH2+]CC1(CF)CCOCC1)c1ccc(Cl)cc1O ZINC000841757132 630462965 /nfs/dbraw/zinc/46/29/65/630462965.db2.gz MJIYPOFYPUPEQP-NSHDSACASA-N 1 1 301.789 3.463 20 10 DGCDMO C[C@H]([NH2+]CC1(N(C)C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000841762961 630463196 /nfs/dbraw/zinc/46/31/96/630463196.db2.gz NOYVLWMTQDGTAD-VIFPVBQESA-N 1 1 303.233 3.444 20 10 DGCDMO c1[nH]c2ccc(NCc3ccc(N4CCOCC4)cc3)cc2[nH+]1 ZINC000842207367 630505728 /nfs/dbraw/zinc/50/57/28/630505728.db2.gz ASDRXMZSCWNISG-UHFFFAOYSA-N 1 1 308.385 3.012 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)CCC2 ZINC000842612832 630553598 /nfs/dbraw/zinc/55/35/98/630553598.db2.gz OVULVKMNZXYWKX-FUHWJXTLSA-N 1 1 301.430 3.272 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1O ZINC000842636324 630556912 /nfs/dbraw/zinc/55/69/12/630556912.db2.gz AQGYDVKCYMIMAZ-CQSZACIVSA-N 1 1 305.418 3.100 20 10 DGCDMO CCCN(CCC)c1ccc(CN2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000843051709 630608911 /nfs/dbraw/zinc/60/89/11/630608911.db2.gz KSAYTYBGHVUEKG-VQIMIIECSA-N 1 1 303.494 3.482 20 10 DGCDMO [NH3+][C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H]1c1ccccc1 ZINC000843115720 630615176 /nfs/dbraw/zinc/61/51/76/630615176.db2.gz QAYFSSUXNCCQOO-GOEBONIOSA-N 1 1 320.795 3.111 20 10 DGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126300 630616443 /nfs/dbraw/zinc/61/64/43/630616443.db2.gz ICKNULNJBMIEQK-ZIAGYGMSSA-N 1 1 308.853 3.257 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2ccccc2O)C[C@H]1C(=O)OC(C)(C)C ZINC000843414535 630653745 /nfs/dbraw/zinc/65/37/45/630653745.db2.gz HXFCHFJBMMHOAT-DZGCQCFKSA-N 1 1 305.418 3.192 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@]1(O)CCc2ccccc21 ZINC000843422499 630656234 /nfs/dbraw/zinc/65/62/34/630656234.db2.gz WPOXBHNLYFPELT-GOSISDBHSA-N 1 1 317.816 3.311 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cnc(C)s2)cc1 ZINC000844399061 630724635 /nfs/dbraw/zinc/72/46/35/630724635.db2.gz FIZCGEDMTMXFBZ-UHFFFAOYSA-N 1 1 305.447 3.028 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1O ZINC000844441334 630730189 /nfs/dbraw/zinc/73/01/89/630730189.db2.gz XHISYANSUHWNQF-HNNXBMFYSA-N 1 1 313.319 3.355 20 10 DGCDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000844723320 630807104 /nfs/dbraw/zinc/80/71/04/630807104.db2.gz SRRPAKCIIBFWKR-CQSZACIVSA-N 1 1 300.402 3.330 20 10 DGCDMO COc1cc(OC)c(C[N@@H+](C)Cc2ccccc2O)cc1F ZINC000845907632 631201923 /nfs/dbraw/zinc/20/19/23/631201923.db2.gz ZAKRTILWXWYYCY-UHFFFAOYSA-N 1 1 305.349 3.181 20 10 DGCDMO CC[C@H]1C[C@H](C[N@@H+](C)CCN(C)c2ccc(OC)cc2)CCO1 ZINC000846051290 631208452 /nfs/dbraw/zinc/20/84/52/631208452.db2.gz FGAGJWARPXPFMS-AEFFLSMTSA-N 1 1 320.477 3.268 20 10 DGCDMO C[C@H](COCC1CC1)[NH2+]Cc1cccc(Br)c1O ZINC000846074002 631209297 /nfs/dbraw/zinc/20/92/97/631209297.db2.gz VDGZCHPGEVKKIH-SNVBAGLBSA-N 1 1 314.223 3.059 20 10 DGCDMO COc1cccc([C@H](C)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000846140368 631211526 /nfs/dbraw/zinc/21/15/26/631211526.db2.gz PKGMKHAJJDLPHR-XHSDSOJGSA-N 1 1 320.477 3.419 20 10 DGCDMO COc1cccc([C@H](C)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000846140368 631211527 /nfs/dbraw/zinc/21/15/27/631211527.db2.gz PKGMKHAJJDLPHR-XHSDSOJGSA-N 1 1 320.477 3.419 20 10 DGCDMO COc1cccc([C@H](C)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000846143617 631211950 /nfs/dbraw/zinc/21/19/50/631211950.db2.gz JWOGBGDGYNTWBL-QXSJWSMHSA-N 1 1 320.477 3.418 20 10 DGCDMO COc1cccc([C@H](C)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000846143617 631211952 /nfs/dbraw/zinc/21/19/52/631211952.db2.gz JWOGBGDGYNTWBL-QXSJWSMHSA-N 1 1 320.477 3.418 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@@](C)(O)c1ccccc1 ZINC000846186135 631214204 /nfs/dbraw/zinc/21/42/04/631214204.db2.gz DSIJUMRTTBUIIL-VEVIJQCQSA-N 1 1 303.377 3.478 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1CC1CCCC1)[C@@H](O)CO2 ZINC000848505353 631671078 /nfs/dbraw/zinc/67/10/78/631671078.db2.gz IWISAMYOHHWDMJ-YJBOKZPZSA-N 1 1 317.429 3.363 20 10 DGCDMO CCc1cccc(C[NH2+][C@H](CO)c2c(F)cccc2F)c1O ZINC000848896682 631777421 /nfs/dbraw/zinc/77/74/21/631777421.db2.gz HEZRSBMOMGVVHQ-OAHLLOKOSA-N 1 1 307.340 3.056 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)c1O ZINC000848925072 631790152 /nfs/dbraw/zinc/79/01/52/631790152.db2.gz MHOAIKPGULKCAE-INIZCTEOSA-N 1 1 305.418 3.324 20 10 DGCDMO COc1ccc(O)c(C[N@H+](CC(=O)OC(C)(C)C)C2CCC2)c1 ZINC000848927678 631791214 /nfs/dbraw/zinc/79/12/14/631791214.db2.gz KJOZZTCCRXOCJH-UHFFFAOYSA-N 1 1 321.417 3.097 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](CC(=O)OC(C)(C)C)C2CCC2)c1 ZINC000848927678 631791215 /nfs/dbraw/zinc/79/12/15/631791215.db2.gz KJOZZTCCRXOCJH-UHFFFAOYSA-N 1 1 321.417 3.097 20 10 DGCDMO [NH2+]=C(NCc1cccc(Br)c1O)Nc1ccccc1 ZINC000849105536 631836734 /nfs/dbraw/zinc/83/67/34/631836734.db2.gz SSPQHGCHMFAOOJ-UHFFFAOYSA-N 1 1 320.190 3.291 20 10 DGCDMO CC[C@H](COCC1CC1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850351660 632121680 /nfs/dbraw/zinc/12/16/80/632121680.db2.gz QVJISFNNHYOKCJ-LLVKDONJSA-N 1 1 301.789 3.480 20 10 DGCDMO CN(C)c1ccc(/C=C/CN[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000850351008 632121685 /nfs/dbraw/zinc/12/16/85/632121685.db2.gz JTCQYCFTRKUNFB-DKRLNXSXSA-N 1 1 301.478 3.228 20 10 DGCDMO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCN(C(C)(C)C)C2)cc1 ZINC000850351008 632121689 /nfs/dbraw/zinc/12/16/89/632121689.db2.gz JTCQYCFTRKUNFB-DKRLNXSXSA-N 1 1 301.478 3.228 20 10 DGCDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)c2ncnn21 ZINC000850352413 632122716 /nfs/dbraw/zinc/12/27/16/632122716.db2.gz VAQXDODHEZLJAM-YOEHRIQHSA-N 1 1 311.433 3.064 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)c2ccccn2)c1 ZINC000850483271 632166321 /nfs/dbraw/zinc/16/63/21/632166321.db2.gz VQRQDSLQUIOJOI-OLZOCXBDSA-N 1 1 314.385 3.028 20 10 DGCDMO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1cc(F)cc(F)c1O ZINC000850529136 632182680 /nfs/dbraw/zinc/18/26/80/632182680.db2.gz PJHSBVYEFXXIGC-OZUAJXCXSA-N 1 1 305.324 3.499 20 10 DGCDMO C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cc(F)cc(F)c1O ZINC000850534828 632185168 /nfs/dbraw/zinc/18/51/68/632185168.db2.gz NRKMDZJXOVJGIS-VIFPVBQESA-N 1 1 307.344 3.132 20 10 DGCDMO COc1ccc(O)c([C@H](C)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000850537886 632186371 /nfs/dbraw/zinc/18/63/71/632186371.db2.gz AVRUUCKBDNQMQE-GJZGRUSLSA-N 1 1 318.461 3.458 20 10 DGCDMO COc1ccc(O)c([C@H](C)N[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000850537886 632186374 /nfs/dbraw/zinc/18/63/74/632186374.db2.gz AVRUUCKBDNQMQE-GJZGRUSLSA-N 1 1 318.461 3.458 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1O ZINC000850545597 632187807 /nfs/dbraw/zinc/18/78/07/632187807.db2.gz QILOCBJKGJJWDP-ZYHUDNBSSA-N 1 1 317.351 3.470 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1O ZINC000850555922 632191918 /nfs/dbraw/zinc/19/19/18/632191918.db2.gz JYJCMTMCUKISCO-NEPJUHHUSA-N 1 1 324.852 3.343 20 10 DGCDMO Cc1ccc(-c2noc(C[N@@H+](C)Cc3ccccc3O)n2)cc1 ZINC000109771895 632316068 /nfs/dbraw/zinc/31/60/68/632316068.db2.gz UIOVROLXRNFNHM-UHFFFAOYSA-N 1 1 309.369 3.383 20 10 DGCDMO Cc1ccc(-c2noc(C[N@H+](C)Cc3ccccc3O)n2)cc1 ZINC000109771895 632316072 /nfs/dbraw/zinc/31/60/72/632316072.db2.gz UIOVROLXRNFNHM-UHFFFAOYSA-N 1 1 309.369 3.383 20 10 DGCDMO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2O)cc1Cl ZINC000109770293 632316575 /nfs/dbraw/zinc/31/65/75/632316575.db2.gz PERCNNRFKVAKTQ-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2O)cc1Cl ZINC000109770293 632316580 /nfs/dbraw/zinc/31/65/80/632316580.db2.gz PERCNNRFKVAKTQ-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)Cc1ccccc1O ZINC000109769924 632316769 /nfs/dbraw/zinc/31/67/69/632316769.db2.gz VPLOLSZHPKPFPL-LLVKDONJSA-N 1 1 320.339 3.129 20 10 DGCDMO CC1(C)OC[C@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)O1 ZINC000851771618 632489070 /nfs/dbraw/zinc/48/90/70/632489070.db2.gz KJGXLNLSNBPEHX-INIZCTEOSA-N 1 1 305.418 3.288 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](OC)[C@@H]1CCOC1 ZINC000852017970 632540350 /nfs/dbraw/zinc/54/03/50/632540350.db2.gz IGAGRPNJRWPKLW-AEFFLSMTSA-N 1 1 307.434 3.046 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 ZINC000852521947 632617293 /nfs/dbraw/zinc/61/72/93/632617293.db2.gz CRAIHORIFMUVRC-PZJWPPBQSA-N 1 1 324.468 3.351 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1 ZINC000184789103 660186340 /nfs/dbraw/zinc/18/63/40/660186340.db2.gz YLTAHMAMOOHOTE-IBGZPJMESA-N 1 1 311.425 3.474 20 10 DGCDMO C[C@@H](c1ccsc1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000184972194 660196769 /nfs/dbraw/zinc/19/67/69/660196769.db2.gz GILWMCNODJYKED-ZDUSSCGKSA-N 1 1 320.433 3.472 20 10 DGCDMO COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C2 ZINC000185334486 660216587 /nfs/dbraw/zinc/21/65/87/660216587.db2.gz DRKXQJFMCSPDFW-FZMZJTMJSA-N 1 1 317.360 3.194 20 10 DGCDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185350567 660217475 /nfs/dbraw/zinc/21/74/75/660217475.db2.gz YXQFBZDFCINDKU-JTQLQIEISA-N 1 1 320.320 3.299 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc(F)cc1O ZINC000186147493 660270264 /nfs/dbraw/zinc/27/02/64/660270264.db2.gz HAHLJPCXWLSRIU-GDZNZVCISA-N 1 1 303.377 3.174 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)[C@H](C)C1 ZINC000701177179 660659364 /nfs/dbraw/zinc/65/93/64/660659364.db2.gz WVAPNVQTXUFZAE-MFKMUULPSA-N 1 1 314.223 3.154 20 10 DGCDMO CC1(C)C[N@@H+](Cc2c(O)cccc2Br)CCCO1 ZINC000707145853 660888152 /nfs/dbraw/zinc/88/81/52/660888152.db2.gz JDULKPIINYLFKL-UHFFFAOYSA-N 1 1 314.223 3.156 20 10 DGCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](CF)C2)c1O ZINC000711501393 660955559 /nfs/dbraw/zinc/95/55/59/660955559.db2.gz DXMNGIIDMWRPKD-JTQLQIEISA-N 1 1 302.187 3.255 20 10 DGCDMO COC(=O)CC1([NH2+]Cc2c(O)ccc(Cl)c2F)CCCC1 ZINC000793231537 661015771 /nfs/dbraw/zinc/01/57/71/661015771.db2.gz QFIRGKVXSWCEBH-UHFFFAOYSA-N 1 1 315.772 3.150 20 10 DGCDMO Cc1ccncc1C[N@@H+](C)Cc1cccc(Br)c1O ZINC000793335817 661025136 /nfs/dbraw/zinc/02/51/36/661025136.db2.gz HZYKZSAEWJMLTI-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO Cc1ccncc1C[N@H+](C)Cc1cccc(Br)c1O ZINC000793335817 661025138 /nfs/dbraw/zinc/02/51/38/661025138.db2.gz HZYKZSAEWJMLTI-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO COc1c(O)c(C[N@H+](C)[C@@H]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000793351568 661025731 /nfs/dbraw/zinc/02/57/31/661025731.db2.gz JNOVDCUWJUACBP-GFCCVEGCSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000793351568 661025734 /nfs/dbraw/zinc/02/57/34/661025734.db2.gz JNOVDCUWJUACBP-GFCCVEGCSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c(O)c1 ZINC000793387294 661029368 /nfs/dbraw/zinc/02/93/68/661029368.db2.gz CAGLYIZMQPNBJI-UHFFFAOYSA-N 1 1 311.740 3.189 20 10 DGCDMO C[C@@]12CC[N@@H+](Cc3c(O)ccc4ccncc43)C[C@@H]1C2(F)F ZINC000793535504 661042879 /nfs/dbraw/zinc/04/28/79/661042879.db2.gz XDUOLLOKUIPUQS-JKSUJKDBSA-N 1 1 304.340 3.418 20 10 DGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000794650145 661096152 /nfs/dbraw/zinc/09/61/52/661096152.db2.gz OUGYMXGHRWYINP-SFHVURJKSA-N 1 1 307.434 3.396 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c(O)cc1C ZINC000794650780 661096179 /nfs/dbraw/zinc/09/61/79/661096179.db2.gz MSGCFZXDAVAFDS-ZYHUDNBSSA-N 1 1 303.324 3.482 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H](C2CC2)O1 ZINC000794652133 661096237 /nfs/dbraw/zinc/09/62/37/661096237.db2.gz IEPWUUZXDXWZRQ-PXAZEXFGSA-N 1 1 319.445 3.395 20 10 DGCDMO CCn1ncnc1C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000794840477 661108658 /nfs/dbraw/zinc/10/86/58/661108658.db2.gz IQEREKRZYNIECR-OAHLLOKOSA-N 1 1 313.449 3.139 20 10 DGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2O)C1(C)C ZINC000160284959 655586454 /nfs/dbraw/zinc/58/64/54/655586454.db2.gz MOEJHRSHFUTUID-IRXDYDNUSA-N 1 1 323.433 3.045 20 10 DGCDMO C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000070171692 655604329 /nfs/dbraw/zinc/60/43/29/655604329.db2.gz GFXMCEMVCDTXPZ-NXEZZACHSA-N 1 1 303.233 3.258 20 10 DGCDMO C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000070171692 655604331 /nfs/dbraw/zinc/60/43/31/655604331.db2.gz GFXMCEMVCDTXPZ-NXEZZACHSA-N 1 1 303.233 3.258 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1O ZINC000795671427 661166862 /nfs/dbraw/zinc/16/68/62/661166862.db2.gz VKKNRYLPNJUKSK-HNNXBMFYSA-N 1 1 301.390 3.160 20 10 DGCDMO COc1cc(C[N@@H+](C)CCOCc2ccccc2)c(O)cc1C ZINC000160391516 655628907 /nfs/dbraw/zinc/62/89/07/655628907.db2.gz SDAZFPRQVYMWCO-UHFFFAOYSA-N 1 1 315.413 3.358 20 10 DGCDMO C[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@H]1CCOC1 ZINC000176093842 655734004 /nfs/dbraw/zinc/73/40/04/655734004.db2.gz RDDNPKVCDYWHDA-CYBMUJFWSA-N 1 1 315.413 3.486 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)Cc2cccnc2)c1O ZINC000934236388 655758382 /nfs/dbraw/zinc/75/83/82/655758382.db2.gz OOKASSZCYJIQLZ-LLVKDONJSA-N 1 1 318.804 3.364 20 10 DGCDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000092731433 656823705 /nfs/dbraw/zinc/82/37/05/656823705.db2.gz BEQKUQAFSSETGC-HOTGVXAUSA-N 1 1 318.461 3.217 20 10 DGCDMO COc1cccc(C[N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC000320696619 657393481 /nfs/dbraw/zinc/39/34/81/657393481.db2.gz FINIECHKDMZCGQ-UHFFFAOYSA-N 1 1 317.360 3.375 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC000320696619 657393483 /nfs/dbraw/zinc/39/34/83/657393483.db2.gz FINIECHKDMZCGQ-UHFFFAOYSA-N 1 1 317.360 3.375 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc1C ZINC000251081321 657502801 /nfs/dbraw/zinc/50/28/01/657502801.db2.gz UMCKNEGCURXBMK-IBGZPJMESA-N 1 1 310.441 3.498 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3cccs3)CC2)cc1 ZINC000128301170 658732039 /nfs/dbraw/zinc/73/20/39/658732039.db2.gz MNSRWWPIZAZAAQ-UHFFFAOYSA-N 1 1 302.443 3.469 20 10 DGCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164264806 658923247 /nfs/dbraw/zinc/92/32/47/658923247.db2.gz WMVWBKJDUWHRML-INIZCTEOSA-N 1 1 318.461 3.137 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCc3ccc(F)cc3C2)c1O ZINC000164534935 658937173 /nfs/dbraw/zinc/93/71/73/658937173.db2.gz ZEWGREPMVUDVFP-UHFFFAOYSA-N 1 1 301.361 3.407 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000164601736 658938617 /nfs/dbraw/zinc/93/86/17/658938617.db2.gz RHIFCBHKJNVAFK-HIFRSBDPSA-N 1 1 321.461 3.434 20 10 DGCDMO C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000157056866 658983635 /nfs/dbraw/zinc/98/36/35/658983635.db2.gz XAJSTRIXKZDOAU-GFCCVEGCSA-N 1 1 304.463 3.126 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1ccc(F)cc1O ZINC000170788849 659238101 /nfs/dbraw/zinc/23/81/01/659238101.db2.gz SINXJPJXXJMTQT-CXAGYDPISA-N 1 1 302.393 3.485 20 10 DGCDMO CC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H](C)C(C)C ZINC000170929067 659248526 /nfs/dbraw/zinc/24/85/26/659248526.db2.gz JCCNVLSRSQCLGF-MRXNPFEDSA-N 1 1 319.493 3.077 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C)cc1C(C)C ZINC000174090841 659412705 /nfs/dbraw/zinc/41/27/05/659412705.db2.gz SQHUBUAGKPLPNL-SJORKVTESA-N 1 1 302.462 3.493 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C(C)C ZINC000174090841 659412707 /nfs/dbraw/zinc/41/27/07/659412707.db2.gz SQHUBUAGKPLPNL-SJORKVTESA-N 1 1 302.462 3.493 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C(C)C ZINC000174090841 659412710 /nfs/dbraw/zinc/41/27/10/659412710.db2.gz SQHUBUAGKPLPNL-SJORKVTESA-N 1 1 302.462 3.493 20 10 DGCDMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000179564136 659933735 /nfs/dbraw/zinc/93/37/35/659933735.db2.gz IIIZEJDNCIWXCU-OAHLLOKOSA-N 1 1 320.433 3.271 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)Cc2cc(F)ccc2O)cc1OC ZINC000179888660 659945637 /nfs/dbraw/zinc/94/56/37/659945637.db2.gz GZVWDSHUMBBJGI-UHFFFAOYSA-N 1 1 319.376 3.489 20 10 DGCDMO OCC[N@@H+](Cc1cc(F)ccc1O)[C@H]1CCCc2ccccc21 ZINC000180153112 659953355 /nfs/dbraw/zinc/95/33/55/659953355.db2.gz MHLQTQGXNAQOIJ-SFHVURJKSA-N 1 1 315.388 3.403 20 10 DGCDMO Oc1cc2c(cc1C[NH2+]Cc1cc(-c3ccccc3)on1)OCO2 ZINC000238132838 659959611 /nfs/dbraw/zinc/95/96/11/659959611.db2.gz PBHSNJVUFYGTTO-UHFFFAOYSA-N 1 1 324.336 3.066 20 10 DGCDMO [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000070148608 660039222 /nfs/dbraw/zinc/03/92/22/660039222.db2.gz JMTKXEPGYVJZTM-LBPRGKRZSA-N 1 1 303.233 3.402 20 10 DGCDMO [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000070148608 660039223 /nfs/dbraw/zinc/03/92/23/660039223.db2.gz JMTKXEPGYVJZTM-LBPRGKRZSA-N 1 1 303.233 3.402 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)C[C@@H](C)c2nccs2)c1O ZINC000183262492 660106845 /nfs/dbraw/zinc/10/68/45/660106845.db2.gz GPABVWIZPSCYHJ-GFCCVEGCSA-N 1 1 306.431 3.483 20 10 DGCDMO CCC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000071314542 660113625 /nfs/dbraw/zinc/11/36/25/660113625.db2.gz JYQRUJJGERNLDS-GFCCVEGCSA-N 1 1 303.233 3.273 20 10 DGCDMO CCC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000071314542 660113626 /nfs/dbraw/zinc/11/36/26/660113626.db2.gz JYQRUJJGERNLDS-GFCCVEGCSA-N 1 1 303.233 3.273 20 10 DGCDMO CCc1ncc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000929970752 661354682 /nfs/dbraw/zinc/35/46/82/661354682.db2.gz KUUYIFGZUXJQDJ-OAHLLOKOSA-N 1 1 316.401 3.124 20 10 DGCDMO CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000934706123 661728248 /nfs/dbraw/zinc/72/82/48/661728248.db2.gz DNSHQHHOPTXHBO-MRXNPFEDSA-N 1 1 304.434 3.004 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(O)cc1C ZINC000159503068 661889432 /nfs/dbraw/zinc/88/94/32/661889432.db2.gz RCKKHUXNDHDOLW-UHFFFAOYSA-N 1 1 314.429 3.407 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+](C[C@@H]1CCOC1)C1CC1)CCCC2 ZINC000159831171 661896335 /nfs/dbraw/zinc/89/63/35/661896335.db2.gz FIADSWTXOYEABR-AWEZNQCLSA-N 1 1 301.430 3.272 20 10 DGCDMO CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C[C@H]1CCCO1 ZINC000048965245 661897640 /nfs/dbraw/zinc/89/76/40/661897640.db2.gz NMNAJLJBDWHLQU-CQSZACIVSA-N 1 1 311.809 3.249 20 10 DGCDMO CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C[C@@H]1CCCO1 ZINC000048965243 661897875 /nfs/dbraw/zinc/89/78/75/661897875.db2.gz NMNAJLJBDWHLQU-AWEZNQCLSA-N 1 1 311.809 3.249 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@]2(CO)CC(C)C)c1 ZINC000188040427 661912425 /nfs/dbraw/zinc/91/24/25/661912425.db2.gz LJPINGGOLMPEKP-SFHVURJKSA-N 1 1 307.434 3.164 20 10 DGCDMO CCOC[C@@H]([NH2+]Cc1cccc(Br)c1O)C(C)C ZINC000188869102 661950451 /nfs/dbraw/zinc/95/04/51/661950451.db2.gz VUKISLAXCIGOHA-CYBMUJFWSA-N 1 1 316.239 3.305 20 10 DGCDMO CCC[N@H+](Cc1nc([C@H](C)OCC)no1)Cc1ccccc1O ZINC000076724902 661995182 /nfs/dbraw/zinc/99/51/82/661995182.db2.gz RMGXAWCLOSYCTO-ZDUSSCGKSA-N 1 1 319.405 3.285 20 10 DGCDMO CCC[N@@H+](Cc1nc([C@H](C)OCC)no1)Cc1ccccc1O ZINC000076724902 661995185 /nfs/dbraw/zinc/99/51/85/661995185.db2.gz RMGXAWCLOSYCTO-ZDUSSCGKSA-N 1 1 319.405 3.285 20 10 DGCDMO COc1ccc(O)c([C@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000192872411 662113661 /nfs/dbraw/zinc/11/36/61/662113661.db2.gz PBBMCDCJHNLBLE-GJZGRUSLSA-N 1 1 306.450 3.316 20 10 DGCDMO COc1ccc(O)c([C@H](C)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000192872411 662113664 /nfs/dbraw/zinc/11/36/64/662113664.db2.gz PBBMCDCJHNLBLE-GJZGRUSLSA-N 1 1 306.450 3.316 20 10 DGCDMO CCOCc1cc(C[NH2+][C@@H](COC)c2ccco2)ccc1OC ZINC000080239327 662133841 /nfs/dbraw/zinc/13/38/41/662133841.db2.gz XFSXHEVUELIXKX-INIZCTEOSA-N 1 1 319.401 3.302 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1C(C)C ZINC000246309931 662253616 /nfs/dbraw/zinc/25/36/16/662253616.db2.gz WDOPFTUDKPAHKX-MOPGFXCFSA-N 1 1 319.445 3.204 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC[C@H]1O ZINC000246803502 662282415 /nfs/dbraw/zinc/28/24/15/662282415.db2.gz 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CC[N@@H+]1C[C@H](C)N(Cc2cc(Cl)c(F)cc2O)C[C@H]1C ZINC001461936686 1182881106 /nfs/dbraw/zinc/88/11/06/1182881106.db2.gz KDQJLQLMOZYVBQ-MNOVXSKESA-N 1 1 300.805 3.099 20 10 DGCDMO CC[N@H+]1C[C@H](C)N(Cc2cc(Cl)c(F)cc2O)C[C@H]1C ZINC001461936686 1182881111 /nfs/dbraw/zinc/88/11/11/1182881111.db2.gz KDQJLQLMOZYVBQ-MNOVXSKESA-N 1 1 300.805 3.099 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC001462093577 1182906993 /nfs/dbraw/zinc/90/69/93/1182906993.db2.gz HYYWNLNHYKUABF-QGZVFWFLSA-N 1 1 318.461 3.367 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC001462093577 1182906996 /nfs/dbraw/zinc/90/69/96/1182906996.db2.gz HYYWNLNHYKUABF-QGZVFWFLSA-N 1 1 318.461 3.367 20 10 DGCDMO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cc(F)c(F)cc2O)c1 ZINC001462139848 1182914426 /nfs/dbraw/zinc/91/44/26/1182914426.db2.gz ZJSNBJNCKGWGGE-KRWDZBQOSA-N 1 1 307.340 3.110 20 10 DGCDMO Cc1ccc(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c(O)c1 ZINC001462303620 1182936889 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ZINC001473610952 1183780539 /nfs/dbraw/zinc/78/05/39/1183780539.db2.gz WFHSRWMDMOOYGQ-UHFFFAOYSA-N 1 1 308.466 3.268 20 10 DGCDMO CCN(CC)c1ccc(CNCC[N@@H+]2CCC[C@@H](C)C2)cc1F ZINC001473931133 1183831776 /nfs/dbraw/zinc/83/17/76/1183831776.db2.gz FJKLXWHZTFWNNN-MRXNPFEDSA-N 1 1 321.484 3.493 20 10 DGCDMO CCN(CC)c1ccc(CNCC[N@H+]2CCC[C@@H](C)C2)cc1F ZINC001473931133 1183831778 /nfs/dbraw/zinc/83/17/78/1183831778.db2.gz FJKLXWHZTFWNNN-MRXNPFEDSA-N 1 1 321.484 3.493 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc(NC(N)=O)cc1 ZINC001473996496 1183847350 /nfs/dbraw/zinc/84/73/50/1183847350.db2.gz VUYGBCFUWWQUOR-SECBINFHSA-N 1 1 321.327 3.012 20 10 DGCDMO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001474013217 1183850210 /nfs/dbraw/zinc/85/02/10/1183850210.db2.gz DPFPNOOJXKZFGC-MJGOQNOKSA-N 1 1 315.505 3.497 20 10 DGCDMO CC[NH+](CC)CC[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC001474305077 1183901303 /nfs/dbraw/zinc/90/13/03/1183901303.db2.gz FLTAULBRDRIGNG-IJDCCNJMSA-N 1 1 303.494 3.476 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC001474378739 1183911491 /nfs/dbraw/zinc/91/14/91/1183911491.db2.gz GVEYRZGHMLCHQH-YWPBOTNQSA-N 1 1 322.456 3.435 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(O)c1 ZINC001474631084 1183952485 /nfs/dbraw/zinc/95/24/85/1183952485.db2.gz WTJPEHKDOUNBID-DNVCBOLYSA-N 1 1 319.445 3.490 20 10 DGCDMO CC(C)c1ccc(O)c(CN2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC001474646893 1183954639 /nfs/dbraw/zinc/95/46/39/1183954639.db2.gz YHONXMJCCDTKFI-GOSISDBHSA-N 1 1 320.477 3.058 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC(C)(C)CC[C@@H]2CO)cc1 ZINC001474682211 1183960704 /nfs/dbraw/zinc/96/07/04/1183960704.db2.gz ULQLJUYXECFBHZ-DUMMIQTOSA-N 1 1 302.462 3.249 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1 ZINC001560014161 1189269278 /nfs/dbraw/zinc/26/92/78/1189269278.db2.gz LWDUNWXOOGIJSN-DYVFJYSZSA-N 1 1 312.404 3.387 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1 ZINC001560014161 1189269282 /nfs/dbraw/zinc/26/92/82/1189269282.db2.gz LWDUNWXOOGIJSN-DYVFJYSZSA-N 1 1 312.404 3.387 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@H](C(C)(C)C)CC2)c1O ZINC001560235383 1189295423 /nfs/dbraw/zinc/29/54/23/1189295423.db2.gz JBQMJPSGLPJIAY-INIZCTEOSA-N 1 1 323.408 3.371 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@H](C(C)(C)C)CC2)c1O ZINC001560235383 1189295430 /nfs/dbraw/zinc/29/54/30/1189295430.db2.gz JBQMJPSGLPJIAY-INIZCTEOSA-N 1 1 323.408 3.371 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC001560672106 1189357703 /nfs/dbraw/zinc/35/77/03/1189357703.db2.gz WPJBAXMSMLYFKG-OAHLLOKOSA-N 1 1 314.433 3.019 20 10 DGCDMO COC(=O)c1c(C[N@H+]2C[C@H](C)[C@H](C)C2)c2cc(F)ccc2n1C ZINC001560687726 1189360960 /nfs/dbraw/zinc/36/09/60/1189360960.db2.gz OGMAXGMZJLPJSG-TXEJJXNPSA-N 1 1 318.392 3.192 20 10 DGCDMO CC[C@@]1(CO)CCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001560769220 1189378942 /nfs/dbraw/zinc/37/89/42/1189378942.db2.gz VAZYGTXWTJNJNL-IBGZPJMESA-N 1 1 321.461 3.435 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC001560985791 1189415274 /nfs/dbraw/zinc/41/52/74/1189415274.db2.gz LPORJOHKFAEXIH-UXHICEINSA-N 1 1 313.489 3.107 20 10 DGCDMO Cc1cc(C[N@@H+](C2CC2)C2COC2)ccc1N1CCCCC1 ZINC001618122878 1193725521 /nfs/dbraw/zinc/72/55/21/1193725521.db2.gz QTRQETHFZZECEB-UHFFFAOYSA-N 1 1 300.446 3.349 20 10 DGCDMO CC[C@@H](CNCc1ccc(N2CCCC2)cc1)[NH+]1CCCC1 ZINC001620714984 1193794255 /nfs/dbraw/zinc/79/42/55/1193794255.db2.gz CPZQTZAQUSUCCC-SFHVURJKSA-N 1 1 301.478 3.251 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCc2ccc(O)cc2CC1 ZINC001621137869 1193807386 /nfs/dbraw/zinc/80/73/86/1193807386.db2.gz MYXWHOQPHCUOFH-UHFFFAOYSA-N 1 1 310.441 3.367 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+](CCN(C)C)C[C@@H]2CCCO2)c1 ZINC001621311592 1193829372 /nfs/dbraw/zinc/82/93/72/1193829372.db2.gz NXWRFFIIVDGIOC-SFHVURJKSA-N 1 1 320.477 3.058 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@@H+](CCN(C)C)C[C@@H]2CCCO2)c1 ZINC001621311592 1193829376 /nfs/dbraw/zinc/82/93/76/1193829376.db2.gz NXWRFFIIVDGIOC-SFHVURJKSA-N 1 1 320.477 3.058 20 10 DGCDMO COc1c([O-])c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001621323384 1193830332 /nfs/dbraw/zinc/83/03/32/1193830332.db2.gz CCVQKDYAMRMRBF-WCQYABFASA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001621323384 1193830335 /nfs/dbraw/zinc/83/03/35/1193830335.db2.gz CCVQKDYAMRMRBF-WCQYABFASA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001621323384 1193830339 /nfs/dbraw/zinc/83/03/39/1193830339.db2.gz CCVQKDYAMRMRBF-WCQYABFASA-N 1 1 308.378 3.320 20 10 DGCDMO CCC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)[C@H]1CCN(C)C1 ZINC001621407242 1193838349 /nfs/dbraw/zinc/83/83/49/1193838349.db2.gz RYSLBWVCRWDLSL-RURPWVQCSA-N 1 1 301.478 3.182 20 10 DGCDMO CCCN(C/C=C\c1ccc(N(C)C)cc1)[C@H]1CC[N@H+](C)C1 ZINC001621407242 1193838353 /nfs/dbraw/zinc/83/83/53/1193838353.db2.gz RYSLBWVCRWDLSL-RURPWVQCSA-N 1 1 301.478 3.182 20 10 DGCDMO CCCN(C/C=C\c1ccc(N(C)C)cc1)[C@H]1CC[N@@H+](C)C1 ZINC001621407242 1193838355 /nfs/dbraw/zinc/83/83/55/1193838355.db2.gz RYSLBWVCRWDLSL-RURPWVQCSA-N 1 1 301.478 3.182 20 10 DGCDMO CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001631159030 1194322880 /nfs/dbraw/zinc/32/28/80/1194322880.db2.gz HBFPOKSYFKIUQN-KRWDZBQOSA-N 1 1 318.461 3.253 20 10 DGCDMO CCOC(=O)/C=C/C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC001641730964 1194868733 /nfs/dbraw/zinc/86/87/33/1194868733.db2.gz BPPGTDUOBARNMP-KPKJPENVSA-N 1 1 303.402 3.256 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)cc1 ZINC001645534801 1195191792 /nfs/dbraw/zinc/19/17/92/1195191792.db2.gz RWNQKMYVVLXIKX-NRFANRHFSA-N 1 1 323.484 3.111 20 10 DGCDMO CN(C)c1ccc(CN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC001645534801 1195191797 /nfs/dbraw/zinc/19/17/97/1195191797.db2.gz RWNQKMYVVLXIKX-NRFANRHFSA-N 1 1 323.484 3.111 20 10 DGCDMO CN(C)c1ccc(CN2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC001645534801 1195191803 /nfs/dbraw/zinc/19/18/03/1195191803.db2.gz RWNQKMYVVLXIKX-NRFANRHFSA-N 1 1 323.484 3.111 20 10 DGCDMO CN(C)CC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(C)(C)C ZINC001649412075 1195334553 /nfs/dbraw/zinc/33/45/53/1195334553.db2.gz FAKUKDCAQOIBOC-SFHVURJKSA-N 1 1 304.478 3.468 20 10 DGCDMO CN(Cc1ccc(N2CCCC2)cc1)c1[nH+]cnc2[nH]ccc21 ZINC001650089063 1195359848 /nfs/dbraw/zinc/35/98/48/1195359848.db2.gz WITOOXUSJRUJKW-UHFFFAOYSA-N 1 1 307.401 3.195 20 10 DGCDMO CC(C)CCCC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001650213947 1195360558 /nfs/dbraw/zinc/36/05/58/1195360558.db2.gz YUUZDVRQZNYBFE-UHFFFAOYSA-N 1 1 303.494 3.354 20 10 DGCDMO COC(=O)[C@H](C)C[N@@H+](Cc1cc(C(C)C)ccc1O)C1CC1 ZINC001652170419 1195557107 /nfs/dbraw/zinc/55/71/07/1195557107.db2.gz ZGQQBLVBTBISQN-CYBMUJFWSA-N 1 1 305.418 3.289 20 10 DGCDMO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cc(F)c(F)cc1O)C(C)C ZINC001652500220 1195606781 /nfs/dbraw/zinc/60/67/81/1195606781.db2.gz SZGCUUHUSVIGQG-MLGOLLRUSA-N 1 1 301.377 3.049 20 10 DGCDMO CC1(C)CC[C@H](CO)[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC001653016549 1195680703 /nfs/dbraw/zinc/68/07/03/1195680703.db2.gz BMAJGBZCVIYOHM-SNVBAGLBSA-N 1 1 301.789 3.168 20 10 DGCDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC001653016549 1195680704 /nfs/dbraw/zinc/68/07/04/1195680704.db2.gz BMAJGBZCVIYOHM-SNVBAGLBSA-N 1 1 301.789 3.168 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](C(C)(C)O)C2)cc1 ZINC001653072471 1195685457 /nfs/dbraw/zinc/68/54/57/1195685457.db2.gz HNXMXRAMCHKOFG-UABRLCRWSA-N 1 1 302.462 3.249 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](C(C)(C)O)C2)cc1F ZINC001653075789 1195686033 /nfs/dbraw/zinc/68/60/33/1195686033.db2.gz MWVJZOFEQYMQCG-ZDUSSCGKSA-N 1 1 312.404 3.014 20 10 DGCDMO Oc1c(F)cccc1C[NH2+]CCc1ccc2c(c1)OCCCO2 ZINC001653118052 1195689889 /nfs/dbraw/zinc/68/98/89/1195689889.db2.gz YMMRRPRPKDLHED-UHFFFAOYSA-N 1 1 317.360 3.025 20 10 DGCDMO CCOC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C ZINC001653554305 1195733667 /nfs/dbraw/zinc/73/36/67/1195733667.db2.gz CVJAORINKDPHQF-HNNXBMFYSA-N 1 1 313.825 3.399 20 10 DGCDMO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC001654203710 1195783891 /nfs/dbraw/zinc/78/38/91/1195783891.db2.gz MGZDEQVTNBYYIY-KRWDZBQOSA-N 1 1 318.461 3.367 20 10 DGCDMO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC001654203710 1195783894 /nfs/dbraw/zinc/78/38/94/1195783894.db2.gz MGZDEQVTNBYYIY-KRWDZBQOSA-N 1 1 318.461 3.367 20 10 DGCDMO COc1ccccc1C[N@@H+](CCO)Cc1ccc(Cl)cc1O ZINC001657189065 1196117061 /nfs/dbraw/zinc/11/70/61/1196117061.db2.gz MWDMPFOQOLMODH-UHFFFAOYSA-N 1 1 321.804 3.049 20 10 DGCDMO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001657255887 1196124128 /nfs/dbraw/zinc/12/41/28/1196124128.db2.gz UKMKYIKHRHORDO-INIZCTEOSA-N 1 1 305.418 3.432 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CCS1 ZINC001657448409 1196142255 /nfs/dbraw/zinc/14/22/55/1196142255.db2.gz FAUHZUSAZZXGAH-SNVBAGLBSA-N 1 1 316.264 3.482 20 10 DGCDMO COCC[N@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1O ZINC001657620948 1196162193 /nfs/dbraw/zinc/16/21/93/1196162193.db2.gz ZHTOVQNXMYYWCC-UHFFFAOYSA-N 1 1 307.340 3.319 20 10 DGCDMO COCC[N@@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1O ZINC001657620948 1196162197 /nfs/dbraw/zinc/16/21/97/1196162197.db2.gz ZHTOVQNXMYYWCC-UHFFFAOYSA-N 1 1 307.340 3.319 20 10 DGCDMO CCCN1CC[N@H+](Cc2cc(C(C)C)ccc2O)C(C)(C)C1=O ZINC001657851311 1196185225 /nfs/dbraw/zinc/18/52/25/1196185225.db2.gz LNCPDSBTWADJON-UHFFFAOYSA-N 1 1 318.461 3.348 20 10 DGCDMO CCCN1CC[N@@H+](Cc2cc(C(C)C)ccc2O)C(C)(C)C1=O ZINC001657851311 1196185232 /nfs/dbraw/zinc/18/52/32/1196185232.db2.gz LNCPDSBTWADJON-UHFFFAOYSA-N 1 1 318.461 3.348 20 10 DGCDMO CCN(CCC[NH+]1CCCC1)Cc1c(C)cc(OC)cc1O ZINC001658016007 1196202943 /nfs/dbraw/zinc/20/29/43/1196202943.db2.gz YABJAOLJRCOWRM-UHFFFAOYSA-N 1 1 306.450 3.017 20 10 DGCDMO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001658281577 1196235636 /nfs/dbraw/zinc/23/56/36/1196235636.db2.gz PUFIEAGXNFFBAJ-LBPRGKRZSA-N 1 1 314.832 3.395 20 10 DGCDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001658469393 1196262414 /nfs/dbraw/zinc/26/24/14/1196262414.db2.gz WDZMIKXOAMEMLM-KRWDZBQOSA-N 1 1 324.468 3.452 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC001659071009 1196340522 /nfs/dbraw/zinc/34/05/22/1196340522.db2.gz HFTPIKVAQWORES-IBGZPJMESA-N 1 1 304.478 3.434 20 10 DGCDMO Cc1ccc(C[N@H+](CCN(C)C)Cc2cccs2)c(O)c1 ZINC001659120524 1196348253 /nfs/dbraw/zinc/34/82/53/1196348253.db2.gz SBPKEZYTNAMKJI-UHFFFAOYSA-N 1 1 304.459 3.326 20 10 DGCDMO Cc1ccc(C[N@@H+](CCN(C)C)Cc2cccs2)c(O)c1 ZINC001659120524 1196348262 /nfs/dbraw/zinc/34/82/62/1196348262.db2.gz SBPKEZYTNAMKJI-UHFFFAOYSA-N 1 1 304.459 3.326 20 10 DGCDMO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001659140956 1196350502 /nfs/dbraw/zinc/35/05/02/1196350502.db2.gz OHGDEYDGSRAKHJ-LBPRGKRZSA-N 1 1 307.340 3.053 20 10 DGCDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001659140956 1196350504 /nfs/dbraw/zinc/35/05/04/1196350504.db2.gz OHGDEYDGSRAKHJ-LBPRGKRZSA-N 1 1 307.340 3.053 20 10 DGCDMO CC(C)OC[C@@H]1C[N@H+](Cc2cc(C(C)C)ccc2O)CCO1 ZINC001659509631 1196390214 /nfs/dbraw/zinc/39/02/14/1196390214.db2.gz DUUCKNDPKQZGHO-KRWDZBQOSA-N 1 1 307.434 3.141 20 10 DGCDMO CC(C)OC[C@@H]1C[N@@H+](Cc2cc(C(C)C)ccc2O)CCO1 ZINC001659509631 1196390216 /nfs/dbraw/zinc/39/02/16/1196390216.db2.gz DUUCKNDPKQZGHO-KRWDZBQOSA-N 1 1 307.434 3.141 20 10 DGCDMO Cc1ccc(C(C)(C)C[NH2+]Cc2cc(F)c(F)cc2O)nc1 ZINC001659660394 1196403503 /nfs/dbraw/zinc/40/35/03/1196403503.db2.gz LWOCWCBEEORZTG-UHFFFAOYSA-N 1 1 306.356 3.441 20 10 DGCDMO CCc1cccc(C[N@H+]2CCOc3ccc(OC)cc3C2)c1O ZINC001659818662 1196417264 /nfs/dbraw/zinc/41/72/64/1196417264.db2.gz YYHCLARMEMLMBB-UHFFFAOYSA-N 1 1 313.397 3.358 20 10 DGCDMO CO[C@@](C)(C[NH2+]Cc1cc(F)c(F)cc1O)c1ccccc1 ZINC001659827013 1196418495 /nfs/dbraw/zinc/41/84/95/1196418495.db2.gz OBFVEZROLLCIHL-KRWDZBQOSA-N 1 1 307.340 3.322 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)c(F)cc1O)c1ccccc1[N+](=O)[O-] ZINC001659956250 1196432298 /nfs/dbraw/zinc/43/22/98/1196432298.db2.gz HFMMZHLGAVDGOW-VIFPVBQESA-N 1 1 308.284 3.429 20 10 DGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001660193892 1196455278 /nfs/dbraw/zinc/45/52/78/1196455278.db2.gz MUZZUFLRIDJXQR-STQMWFEESA-N 1 1 311.372 3.309 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001660193892 1196455280 /nfs/dbraw/zinc/45/52/80/1196455280.db2.gz MUZZUFLRIDJXQR-STQMWFEESA-N 1 1 311.372 3.309 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001660193892 1196455282 /nfs/dbraw/zinc/45/52/82/1196455282.db2.gz MUZZUFLRIDJXQR-STQMWFEESA-N 1 1 311.372 3.309 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@]23CCC[C@H]2OCC3)c1O ZINC001660682392 1196512255 /nfs/dbraw/zinc/51/22/55/1196512255.db2.gz CHWSXLDMLFDLAL-SJLPKXTDSA-N 1 1 321.392 3.125 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)C[C@]23CCC[C@H]2OCC3)c1O ZINC001660682392 1196512257 /nfs/dbraw/zinc/51/22/57/1196512257.db2.gz CHWSXLDMLFDLAL-SJLPKXTDSA-N 1 1 321.392 3.125 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3[O-])C[C@H]2C1 ZINC001660892234 1196539351 /nfs/dbraw/zinc/53/93/51/1196539351.db2.gz HYPKSQGEPBRNOZ-JGGQBBKZSA-N 1 1 308.853 3.208 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[O-])C[C@H]2C1 ZINC001660892234 1196539355 /nfs/dbraw/zinc/53/93/55/1196539355.db2.gz HYPKSQGEPBRNOZ-JGGQBBKZSA-N 1 1 308.853 3.208 20 10 DGCDMO CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001661351178 1196597037 /nfs/dbraw/zinc/59/70/37/1196597037.db2.gz MSRRZMNSRJXQLR-LBPRGKRZSA-N 1 1 314.832 3.395 20 10 DGCDMO COc1ccccc1C[C@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC001662346094 1196711483 /nfs/dbraw/zinc/71/14/83/1196711483.db2.gz YRABSFJHVCZTDA-NSHDSACASA-N 1 1 307.340 3.400 20 10 DGCDMO CC(C)c1ccc(O)c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC001663554646 1196903100 /nfs/dbraw/zinc/90/31/00/1196903100.db2.gz JKUKLHBZAAHYOO-INIZCTEOSA-N 1 1 302.462 3.433 20 10 DGCDMO CC(C)(C)CC[NH+]1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC001663657272 1196923344 /nfs/dbraw/zinc/92/33/44/1196923344.db2.gz MOASLYHIHVNTKN-UHFFFAOYSA-N 1 1 312.404 3.224 20 10 DGCDMO COc1ccc2c(c1)CC[N@@H+](Cc1cc(F)c(F)cc1O)CC2 ZINC001664350198 1196991220 /nfs/dbraw/zinc/99/12/20/1196991220.db2.gz KOEHKYXHLNADRE-UHFFFAOYSA-N 1 1 319.351 3.280 20 10 DGCDMO COc1ccc2c(c1)CC[N@H+](Cc1cc(F)c(F)cc1O)CC2 ZINC001664350198 1196991223 /nfs/dbraw/zinc/99/12/23/1196991223.db2.gz KOEHKYXHLNADRE-UHFFFAOYSA-N 1 1 319.351 3.280 20 10 DGCDMO Cc1ccnc(N)c1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001664626982 1197023783 /nfs/dbraw/zinc/02/37/83/1197023783.db2.gz ITOMLXBTCMVOPC-UHFFFAOYSA-N 1 1 310.445 3.204 20 10 DGCDMO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(Cl)cc1O ZINC001664644436 1197025497 /nfs/dbraw/zinc/02/54/97/1197025497.db2.gz JKGCSQNKALXZPE-UHFFFAOYSA-N 1 1 324.852 3.270 20 10 DGCDMO C[N@@H+](Cc1c([O-])ccc(Cl)c1F)[C@@H](CO)CC(C)(C)C ZINC001664734480 1197045460 /nfs/dbraw/zinc/04/54/60/1197045460.db2.gz NUNTWOYFLLJZMV-SNVBAGLBSA-N 1 1 303.805 3.414 20 10 DGCDMO C[N@H+](Cc1c(O)ccc(Cl)c1F)[C@@H](CO)CC(C)(C)C ZINC001664734480 1197045463 /nfs/dbraw/zinc/04/54/63/1197045463.db2.gz NUNTWOYFLLJZMV-SNVBAGLBSA-N 1 1 303.805 3.414 20 10 DGCDMO C[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@@H](CO)CC(C)(C)C ZINC001664734480 1197045464 /nfs/dbraw/zinc/04/54/64/1197045464.db2.gz NUNTWOYFLLJZMV-SNVBAGLBSA-N 1 1 303.805 3.414 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1O ZINC001665650927 1197164068 /nfs/dbraw/zinc/16/40/68/1197164068.db2.gz MSVHUHDLDXTCSR-FXAWDEMLSA-N 1 1 309.409 3.483 20 10 DGCDMO COc1ccc(SCC[NH2+]Cc2c(O)cccc2F)cc1 ZINC001665712727 1197179679 /nfs/dbraw/zinc/17/96/79/1197179679.db2.gz SQCSVSGCBORKQN-UHFFFAOYSA-N 1 1 307.390 3.422 20 10 DGCDMO C[N@@H+](CCC(F)(F)F)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092478903 1198578937 /nfs/dbraw/zinc/57/89/37/1198578937.db2.gz PLEUDMAXFQYOGA-UHFFFAOYSA-N 1 1 320.330 3.047 20 10 DGCDMO C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001593267699 994591400 /nfs/dbraw/zinc/59/14/00/994591400.db2.gz 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ZINC001143110591 1092616591 /nfs/dbraw/zinc/61/65/91/1092616591.db2.gz KOPNBNPUKFSEJJ-INIZCTEOSA-N 1 1 302.462 3.360 20 10 DGCDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@H](N3CCCC3)C2)c1O ZINC001143110591 1092616595 /nfs/dbraw/zinc/61/65/95/1092616595.db2.gz KOPNBNPUKFSEJJ-INIZCTEOSA-N 1 1 302.462 3.360 20 10 DGCDMO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143116495 1092618789 /nfs/dbraw/zinc/61/87/89/1092618789.db2.gz FAVFONNXKXEDKJ-IVMMDQJWSA-N 1 1 317.429 3.216 20 10 DGCDMO Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)c(N)n1 ZINC001143203672 1092633743 /nfs/dbraw/zinc/63/37/43/1092633743.db2.gz LREPMTOTDBLZCI-UHFFFAOYSA-N 1 1 310.445 3.204 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)CCOC(=O)c2ccccc2)cc1 ZINC001209049137 1092634864 /nfs/dbraw/zinc/63/48/64/1092634864.db2.gz WGXPEIRVIIQGML-UHFFFAOYSA-N 1 1 312.413 3.041 20 10 DGCDMO Cc1csc(C[C@H]2CCC[N@@H+](Cc3ccc(N)cc3)C2)n1 ZINC001120269242 1094398554 /nfs/dbraw/zinc/39/85/54/1094398554.db2.gz PBCJOTUVJTZANY-OAHLLOKOSA-N 1 1 301.459 3.488 20 10 DGCDMO CC1(C)C[N@@H+](Cc2ccc(Br)cc2O)CCCO1 ZINC000691678553 1094947847 /nfs/dbraw/zinc/94/78/47/1094947847.db2.gz PDCQVLZLBIBZPP-UHFFFAOYSA-N 1 1 314.223 3.156 20 10 DGCDMO C[N@H+](Cc1ccc(Br)cc1O)C[C@H]1CCCCO1 ZINC000691674547 1094948776 /nfs/dbraw/zinc/94/87/76/1094948776.db2.gz GBURVNJAGJUAFK-CYBMUJFWSA-N 1 1 314.223 3.156 20 10 DGCDMO CCc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(O)c1 ZINC001276804435 1094970164 /nfs/dbraw/zinc/97/01/64/1094970164.db2.gz DYTFNZSCVORDOO-UHFFFAOYSA-N 1 1 302.462 3.262 20 10 DGCDMO [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000311939117 1094970464 /nfs/dbraw/zinc/97/04/64/1094970464.db2.gz HMOMPIBISHEPLJ-JTQLQIEISA-N 1 1 303.233 3.260 20 10 DGCDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(Cc2ccc(N)cc2)C1 ZINC001337837601 1095112342 /nfs/dbraw/zinc/11/23/42/1095112342.db2.gz CWAAGJTYOMEPFN-HXUWFJFHSA-N 1 1 309.457 3.018 20 10 DGCDMO CN(CCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001337837601 1095112348 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CCOC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139670179 1095619423 /nfs/dbraw/zinc/61/94/23/1095619423.db2.gz YWJDKJFFHVPBAD-MRXNPFEDSA-N 1 1 318.461 3.226 20 10 DGCDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116719508 1095642454 /nfs/dbraw/zinc/64/24/54/1095642454.db2.gz HWYDGLSPXFCNAJ-GPMSIDNRSA-N 1 1 302.462 3.268 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC001116811593 1095665452 /nfs/dbraw/zinc/66/54/52/1095665452.db2.gz ITOKZWSWRYEJRH-OLZOCXBDSA-N 1 1 320.389 3.321 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC001116811593 1095665457 /nfs/dbraw/zinc/66/54/57/1095665457.db2.gz ITOKZWSWRYEJRH-OLZOCXBDSA-N 1 1 320.389 3.321 20 10 DGCDMO CC(C)C[N@@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144500621 1095689666 /nfs/dbraw/zinc/68/96/66/1095689666.db2.gz WVQLVKCZFOXFTA-UHFFFAOYSA-N 1 1 301.386 3.462 20 10 DGCDMO C[N@@H+](Cc1cccc(-c2cncnc2)c1)Cc1ccccc1O ZINC001137771912 1095739138 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CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1c(O)cccc1F ZINC001137839699 1095760996 /nfs/dbraw/zinc/76/09/96/1095760996.db2.gz GYZFRYWNRVHQED-GFCCVEGCSA-N 1 1 309.381 3.228 20 10 DGCDMO CO[C@H]1C[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)C[C@@H]1F ZINC001137853980 1095767251 /nfs/dbraw/zinc/76/72/51/1095767251.db2.gz CUGVBHDELZJMJR-ROUUACIJSA-N 1 1 302.393 3.263 20 10 DGCDMO CO[C@H]1C[N@@H+](Cc2cc(C)n(-c3ccccc3)c2C)C[C@@H]1F ZINC001137853980 1095767264 /nfs/dbraw/zinc/76/72/64/1095767264.db2.gz CUGVBHDELZJMJR-ROUUACIJSA-N 1 1 302.393 3.263 20 10 DGCDMO CC(C)(C)OC(=O)O[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138122518 1095895385 /nfs/dbraw/zinc/89/53/85/1095895385.db2.gz KFPDSJIUIQKUCA-GFCCVEGCSA-N 1 1 311.353 3.057 20 10 DGCDMO CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138122518 1095895401 /nfs/dbraw/zinc/89/54/01/1095895401.db2.gz KFPDSJIUIQKUCA-GFCCVEGCSA-N 1 1 311.353 3.057 20 10 DGCDMO Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138127640 1095901137 /nfs/dbraw/zinc/90/11/37/1095901137.db2.gz JLKXICHSVHSPMD-OAHLLOKOSA-N 1 1 301.361 3.493 20 10 DGCDMO Cc1ccccc1O[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138127640 1095901146 /nfs/dbraw/zinc/90/11/46/1095901146.db2.gz JLKXICHSVHSPMD-OAHLLOKOSA-N 1 1 301.361 3.493 20 10 DGCDMO Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138127640 1095901150 /nfs/dbraw/zinc/90/11/50/1095901150.db2.gz JLKXICHSVHSPMD-OAHLLOKOSA-N 1 1 301.361 3.493 20 10 DGCDMO [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001138127936 1095901540 /nfs/dbraw/zinc/90/15/40/1095901540.db2.gz XBGNUKALYGUAAQ-MRXNPFEDSA-N 1 1 301.361 3.322 20 10 DGCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001138127936 1095901545 /nfs/dbraw/zinc/90/15/45/1095901545.db2.gz XBGNUKALYGUAAQ-MRXNPFEDSA-N 1 1 301.361 3.322 20 10 DGCDMO Oc1c(F)cccc1C[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001138127936 1095901557 /nfs/dbraw/zinc/90/15/57/1095901557.db2.gz XBGNUKALYGUAAQ-MRXNPFEDSA-N 1 1 301.361 3.322 20 10 DGCDMO COc1ccc(N2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)cc1F ZINC001277009533 1096324169 /nfs/dbraw/zinc/32/41/69/1096324169.db2.gz JIOGQYOLJFYNCQ-SUMWQHHRSA-N 1 1 304.409 3.287 20 10 DGCDMO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)cc1F ZINC001277009843 1096325372 /nfs/dbraw/zinc/32/53/72/1096325372.db2.gz NFTPMZVISVLEID-IRXDYDNUSA-N 1 1 304.409 3.430 20 10 DGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000322553629 1096729379 /nfs/dbraw/zinc/72/93/79/1096729379.db2.gz BPUNGLOXQYPGPE-SDKNFDLMSA-N 1 1 300.446 3.464 20 10 DGCDMO CC(C)COCC[C@@H](C)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172484854 1097152586 /nfs/dbraw/zinc/15/25/86/1097152586.db2.gz RXXGILFHHOCDPM-CQSZACIVSA-N 1 1 307.434 3.297 20 10 DGCDMO CC(C)OC(=O)CC[C@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001172762724 1097234114 /nfs/dbraw/zinc/23/41/14/1097234114.db2.gz NYFOSMLJNOWJMB-HNNXBMFYSA-N 1 1 306.450 3.305 20 10 DGCDMO COc1ccc(Br)c(C[N@H+]2CC[C@H](C)C2)c1O ZINC001231550225 1097777997 /nfs/dbraw/zinc/77/79/97/1097777997.db2.gz KRWJZKBWTKULTA-VIFPVBQESA-N 1 1 300.196 3.005 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)c1O ZINC001231590644 1097785494 /nfs/dbraw/zinc/78/54/94/1097785494.db2.gz CSNJECPIXMXEJO-IUODEOHRSA-N 1 1 317.351 3.226 20 10 DGCDMO Cc1cccc(C[NH+]2CC(Oc3ccc(F)c(F)c3)C2)c1O ZINC001231593164 1097786665 /nfs/dbraw/zinc/78/66/65/1097786665.db2.gz QBCBNALYFOUJFX-UHFFFAOYSA-N 1 1 305.324 3.242 20 10 DGCDMO Cc1cccc(N2CCC[N@@H+](Cc3cccc(C)c3O)CC2)n1 ZINC001231593535 1097787473 /nfs/dbraw/zinc/78/74/73/1097787473.db2.gz JODHSVVQLPZJPD-UHFFFAOYSA-N 1 1 311.429 3.116 20 10 DGCDMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231842879 1097861039 /nfs/dbraw/zinc/86/10/39/1097861039.db2.gz XSCGTMTVFNCEHJ-INIZCTEOSA-N 1 1 318.461 3.089 20 10 DGCDMO Cc1cc(C)c(C[N@H+]2CCCN(c3cccnc3)CC2)c(O)c1 ZINC001231850647 1097865889 /nfs/dbraw/zinc/86/58/89/1097865889.db2.gz SHHKYOWQWHZENT-UHFFFAOYSA-N 1 1 311.429 3.116 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@](O)(CF)CC2)cc1Cl ZINC001231868651 1097870732 /nfs/dbraw/zinc/87/07/32/1097870732.db2.gz VUEORGLBAWATQU-HNNXBMFYSA-N 1 1 301.789 3.041 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1Cl ZINC001231870686 1097872513 /nfs/dbraw/zinc/87/25/13/1097872513.db2.gz OGUXDDGTFUWETO-OAHLLOKOSA-N 1 1 318.804 3.402 20 10 DGCDMO Oc1c(C[N@@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)ccc2ccccc21 ZINC001231881163 1097877167 /nfs/dbraw/zinc/87/71/67/1097877167.db2.gz TWWHIJTXBKLZAD-NOLJZWGESA-N 1 1 323.314 3.449 20 10 DGCDMO Oc1c(C[N@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)ccc2ccccc21 ZINC001231881163 1097877175 /nfs/dbraw/zinc/87/71/75/1097877175.db2.gz TWWHIJTXBKLZAD-NOLJZWGESA-N 1 1 323.314 3.449 20 10 DGCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)[C@@H]1C ZINC001231880288 1097877573 /nfs/dbraw/zinc/87/75/73/1097877573.db2.gz BGAYKVZEGMRMSW-CJNGLKHVSA-N 1 1 313.397 3.319 20 10 DGCDMO C[NH+]1CCC2(CC[N@H+](Cc3ccc4ccccc4c3[O-])C2)CC1 ZINC001231881303 1097878049 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COc1cc(O)c(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)cc1Cl ZINC001232266382 1097987099 /nfs/dbraw/zinc/98/70/99/1097987099.db2.gz MXLOUPWVSZERSZ-ZBEGNZNMSA-N 1 1 313.825 3.037 20 10 DGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@H]2c2ccccn2)cc1Cl ZINC001232268344 1097988413 /nfs/dbraw/zinc/98/84/13/1097988413.db2.gz OMZGNYOMFYAPCD-AWEZNQCLSA-N 1 1 304.777 3.483 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)nc1C ZINC001232335929 1098007601 /nfs/dbraw/zinc/00/76/01/1098007601.db2.gz CPFKEKFHARDFSJ-UHFFFAOYSA-N 1 1 313.445 3.487 20 10 DGCDMO COC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)c2ccccc2n1C ZINC001232403037 1098029129 /nfs/dbraw/zinc/02/91/29/1098029129.db2.gz TXNXNNHKCIWMMX-IUODEOHRSA-N 1 1 318.392 3.145 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c2ccccc2n1C ZINC001232403037 1098029133 /nfs/dbraw/zinc/02/91/33/1098029133.db2.gz TXNXNNHKCIWMMX-IUODEOHRSA-N 1 1 318.392 3.145 20 10 DGCDMO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2O)cn1 ZINC001232841069 1098150335 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TTYXSZNZBOHMSK-GOSISDBHSA-N 1 1 313.397 3.165 20 10 DGCDMO CO[C@@]1(C)C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1(C)C ZINC001177928322 1098658189 /nfs/dbraw/zinc/65/81/89/1098658189.db2.gz GWBDMKFONNYSIR-WFASDCNBSA-N 1 1 301.789 3.478 20 10 DGCDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001206319919 1098740839 /nfs/dbraw/zinc/74/08/39/1098740839.db2.gz FZLQIVARFGVTOT-MRXNPFEDSA-N 1 1 311.809 3.129 20 10 DGCDMO CC[N@H+](Cc1cccc(-c2ccccc2)c1O)[C@@H](C)C(=O)OC ZINC001234999233 1098742768 /nfs/dbraw/zinc/74/27/68/1098742768.db2.gz KHYWOTJSDXGUMW-AWEZNQCLSA-N 1 1 313.397 3.443 20 10 DGCDMO CC[N@@H+](Cc1cccc(-c2ccccc2)c1O)[C@@H](C)C(=O)OC ZINC001234999233 1098742777 /nfs/dbraw/zinc/74/27/77/1098742777.db2.gz KHYWOTJSDXGUMW-AWEZNQCLSA-N 1 1 313.397 3.443 20 10 DGCDMO Cc1cc(O)c(CN2CCC[C@]3(CCC[NH2+]3)CC2)cc1Cl ZINC001235041192 1098769207 /nfs/dbraw/zinc/76/92/07/1098769207.db2.gz YASNYIAPXWMDPF-QGZVFWFLSA-N 1 1 308.853 3.462 20 10 DGCDMO Cc1nnc(-c2ccc(C[N@H+]3CCc4cccc(O)c4C3)cc2)o1 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20 10 DGCDMO C[N@@H+]1C[C@H]2CCCN(Cc3ccc(C(C)(C)C)cc3O)[C@H]2C1 ZINC001235679712 1099122690 /nfs/dbraw/zinc/12/26/90/1099122690.db2.gz QTCXWJCKMFAMBB-PBHICJAKSA-N 1 1 302.462 3.216 20 10 DGCDMO C[N@H+]1C[C@H]2CCCN(Cc3ccc(C(C)(C)C)cc3O)[C@H]2C1 ZINC001235679712 1099122694 /nfs/dbraw/zinc/12/26/94/1099122694.db2.gz QTCXWJCKMFAMBB-PBHICJAKSA-N 1 1 302.462 3.216 20 10 DGCDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235681260 1099124344 /nfs/dbraw/zinc/12/43/44/1099124344.db2.gz ZOTSVPGEHDXBBO-IBGZPJMESA-N 1 1 319.445 3.465 20 10 DGCDMO COc1nccc(C[N@@H+]2CCc3cccc(O)c3C2)c1Cl ZINC001235839111 1099202773 /nfs/dbraw/zinc/20/27/73/1099202773.db2.gz IHXSVQLFAPASDS-UHFFFAOYSA-N 1 1 304.777 3.008 20 10 DGCDMO COc1nccc(C[N@H+]2CCc3cccc(O)c3C2)c1Cl ZINC001235839111 1099202778 /nfs/dbraw/zinc/20/27/78/1099202778.db2.gz IHXSVQLFAPASDS-UHFFFAOYSA-N 1 1 304.777 3.008 20 10 DGCDMO C[N@H+](CCOCc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001180108893 1099316939 /nfs/dbraw/zinc/31/69/39/1099316939.db2.gz ZWMJXKQEPRESSC-UHFFFAOYSA-N 1 1 307.340 3.319 20 10 DGCDMO C[N@@H+](CCOCc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001180108893 1099316951 /nfs/dbraw/zinc/31/69/51/1099316951.db2.gz ZWMJXKQEPRESSC-UHFFFAOYSA-N 1 1 307.340 3.319 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCc3cc(N)ccc3C2)c(Cl)c1 ZINC001236105785 1099394058 /nfs/dbraw/zinc/39/40/58/1099394058.db2.gz NVBVZTXYDNSQDN-UHFFFAOYSA-N 1 1 318.804 3.195 20 10 DGCDMO CCCC[C@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2O)CCN1 ZINC001236136080 1099423032 /nfs/dbraw/zinc/42/30/32/1099423032.db2.gz DNOKMTFFSZLTBV-KRWDZBQOSA-N 1 1 319.493 3.202 20 10 DGCDMO CCCC[C@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2O)CCN1 ZINC001236136080 1099423036 /nfs/dbraw/zinc/42/30/36/1099423036.db2.gz DNOKMTFFSZLTBV-KRWDZBQOSA-N 1 1 319.493 3.202 20 10 DGCDMO C[NH2+]C1CCC([N@H+](C)Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001236214876 1099470208 /nfs/dbraw/zinc/47/02/08/1099470208.db2.gz JBSPNOWMTXYLDR-UHFFFAOYSA-N 1 1 316.367 3.373 20 10 DGCDMO C[NH2+]C1CCC([N@@H+](C)Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001236214876 1099470213 /nfs/dbraw/zinc/47/02/13/1099470213.db2.gz JBSPNOWMTXYLDR-UHFFFAOYSA-N 1 1 316.367 3.373 20 10 DGCDMO CN(C)c1ccc(C[N@H+](C)C2(C)CCNCC2)c2ccccc21 ZINC001236224188 1099481983 /nfs/dbraw/zinc/48/19/83/1099481983.db2.gz RVFQYCQTUJKSQB-UHFFFAOYSA-N 1 1 311.473 3.480 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C2(C)CCNCC2)c2ccccc21 ZINC001236224188 1099481990 /nfs/dbraw/zinc/48/19/90/1099481990.db2.gz RVFQYCQTUJKSQB-UHFFFAOYSA-N 1 1 311.473 3.480 20 10 DGCDMO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236793575 1099786819 /nfs/dbraw/zinc/78/68/19/1099786819.db2.gz LFZBFQLIBTXAMS-SECBINFHSA-N 1 1 318.200 3.084 20 10 DGCDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236793575 1099786827 /nfs/dbraw/zinc/78/68/27/1099786827.db2.gz LFZBFQLIBTXAMS-SECBINFHSA-N 1 1 318.200 3.084 20 10 DGCDMO CCc1ccc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c(O)c1 ZINC001236791861 1099786947 /nfs/dbraw/zinc/78/69/47/1099786947.db2.gz MPDZRQJZBTVXAM-UHFFFAOYSA-N 1 1 318.461 3.035 20 10 DGCDMO 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ZINC001258368739 1106723535 /nfs/dbraw/zinc/72/35/35/1106723535.db2.gz AMCLORBVROROED-HNNXBMFYSA-N 1 1 304.434 3.060 20 10 DGCDMO CCN(C)c1ccc(C[N@H+](C)[C@H]2CCN(CC)C[C@H]2C)cc1 ZINC001320876917 1107171879 /nfs/dbraw/zinc/17/18/79/1107171879.db2.gz UAFNTGMATNLLCN-APWZRJJASA-N 1 1 303.494 3.305 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@H]2C)cc1 ZINC001320876917 1107171885 /nfs/dbraw/zinc/17/18/85/1107171885.db2.gz UAFNTGMATNLLCN-APWZRJJASA-N 1 1 303.494 3.305 20 10 DGCDMO C[NH+](C)[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320905419 1107184428 /nfs/dbraw/zinc/18/44/28/1107184428.db2.gz HWNUVBKJSFLIBH-GOSISDBHSA-N 1 1 301.478 3.203 20 10 DGCDMO CCC(C)(C)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001321075039 1107240590 /nfs/dbraw/zinc/24/05/90/1107240590.db2.gz MUQBPQOELFVXLF-UHFFFAOYSA-N 1 1 307.457 3.198 20 10 DGCDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001261256840 1107378794 /nfs/dbraw/zinc/37/87/94/1107378794.db2.gz WCVNDJIECUJMKN-IBGZPJMESA-N 1 1 301.478 3.201 20 10 DGCDMO CC(C)N1CC[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001261256840 1107378805 /nfs/dbraw/zinc/37/88/05/1107378805.db2.gz WCVNDJIECUJMKN-IBGZPJMESA-N 1 1 301.478 3.201 20 10 DGCDMO CC(C)N1CC[C@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001261256840 1107378815 /nfs/dbraw/zinc/37/88/15/1107378815.db2.gz WCVNDJIECUJMKN-IBGZPJMESA-N 1 1 301.478 3.201 20 10 DGCDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC001262053089 1107595892 /nfs/dbraw/zinc/59/58/92/1107595892.db2.gz PLNAKBWNFYICDE-HNNXBMFYSA-N 1 1 315.335 3.034 20 10 DGCDMO COC(=O)N1CCC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC001318183294 1107881212 /nfs/dbraw/zinc/88/12/12/1107881212.db2.gz VCOWNBGEKZEFSG-UHFFFAOYSA-N 1 1 320.433 3.098 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CC(C)(C)C3(C)C)cc2F)CC1 ZINC001323320570 1107933922 /nfs/dbraw/zinc/93/39/22/1107933922.db2.gz BVLQVSJVSDJPFO-UHFFFAOYSA-N 1 1 319.468 3.198 20 10 DGCDMO C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[N@H+](C2CC2)C1 ZINC001325129281 1108580966 /nfs/dbraw/zinc/58/09/66/1108580966.db2.gz XJQRLMWMRFOTOA-KRWDZBQOSA-N 1 1 313.489 3.203 20 10 DGCDMO C[C@@H]1CN(C2CC2)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001325129281 1108580977 /nfs/dbraw/zinc/58/09/77/1108580977.db2.gz XJQRLMWMRFOTOA-KRWDZBQOSA-N 1 1 313.489 3.203 20 10 DGCDMO C[C@@H]1CN(C2CC2)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001325129281 1108580985 /nfs/dbraw/zinc/58/09/85/1108580985.db2.gz XJQRLMWMRFOTOA-KRWDZBQOSA-N 1 1 313.489 3.203 20 10 DGCDMO C[N@@H+](CCc1nccs1)Cc1ccc(N2CCCC2)cc1 ZINC001319964183 1108718381 /nfs/dbraw/zinc/71/83/81/1108718381.db2.gz QVADRQHXXSQSKU-UHFFFAOYSA-N 1 1 301.459 3.418 20 10 DGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1nn(C)cc1Cl ZINC000393288392 1108995354 /nfs/dbraw/zinc/99/53/54/1108995354.db2.gz KFFLZXSYLAEBDO-PWSUYJOCSA-N 1 1 305.809 3.426 20 10 DGCDMO C[C@H]1CCC[N@H+](CCNC/C=C/c2ccc(N(C)C)cc2)C1 ZINC001308200138 1111396564 /nfs/dbraw/zinc/39/65/64/1111396564.db2.gz UZPRZFVOCYFIKE-PFWMLDTASA-N 1 1 301.478 3.087 20 10 DGCDMO C[C@H]1CCC[N@@H+](CCNC/C=C/c2ccc(N(C)C)cc2)C1 ZINC001308200138 1111396566 /nfs/dbraw/zinc/39/65/66/1111396566.db2.gz UZPRZFVOCYFIKE-PFWMLDTASA-N 1 1 301.478 3.087 20 10 DGCDMO CCCCOCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC001308231736 1111402067 /nfs/dbraw/zinc/40/20/67/1111402067.db2.gz LIHZGGOFUYOLMO-UHFFFAOYSA-N 1 1 316.239 3.369 20 10 DGCDMO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001308237745 1111402770 /nfs/dbraw/zinc/40/27/70/1111402770.db2.gz QQZRPIYWKRBMBS-MJGOQNOKSA-N 1 1 315.505 3.354 20 10 DGCDMO COc1cccc(OCCC[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC001308277927 1111409141 /nfs/dbraw/zinc/40/91/41/1111409141.db2.gz RSNDRXWVAGHCQX-UHFFFAOYSA-N 1 1 323.339 3.238 20 10 DGCDMO CC(C)c1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC001308569780 1111445324 /nfs/dbraw/zinc/44/53/24/1111445324.db2.gz IWOJJBHKNMLHHI-SJLPKXTDSA-N 1 1 302.462 3.432 20 10 DGCDMO CC(C)c1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC001308569780 1111445325 /nfs/dbraw/zinc/44/53/25/1111445325.db2.gz IWOJJBHKNMLHHI-SJLPKXTDSA-N 1 1 302.462 3.432 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)[C@@H](c1ccccc1)N(C)C ZINC001308706682 1111463740 /nfs/dbraw/zinc/46/37/40/1111463740.db2.gz NANMGASIJKONGF-XIKOKIGWSA-N 1 1 320.383 3.451 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)c(F)cc1O)[C@H](c1ccccc1)N(C)C ZINC001308706679 1111463861 /nfs/dbraw/zinc/46/38/61/1111463861.db2.gz NANMGASIJKONGF-KPZWWZAWSA-N 1 1 320.383 3.451 20 10 DGCDMO Cc1ccc(C[N@@H+]2CCN(C)C[C@H]2Cc2ccccc2)c(O)c1 ZINC001308850023 1111483691 /nfs/dbraw/zinc/48/36/91/1111483691.db2.gz LCABTEXREUYVTK-LJQANCHMSA-N 1 1 310.441 3.059 20 10 DGCDMO Cn1cc(-c2ccc(C[N@H+]3Cc4cccc(O)c4C3)cc2)cn1 ZINC001308911388 1111492119 /nfs/dbraw/zinc/49/21/19/1111492119.db2.gz SSXNYKRQHLIGTE-UHFFFAOYSA-N 1 1 305.381 3.309 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@@]1(c2ccccc2)CCCO1 ZINC001308951986 1111498705 /nfs/dbraw/zinc/49/87/05/1111498705.db2.gz XTMZWPBENIDISE-GOSISDBHSA-N 1 1 319.351 3.466 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c(O)c1 ZINC001308952824 1111499165 /nfs/dbraw/zinc/49/91/65/1111499165.db2.gz TWJWKOIGBIWJDG-INIZCTEOSA-N 1 1 319.445 3.348 20 10 DGCDMO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000090533389 185301428 /nfs/dbraw/zinc/30/14/28/185301428.db2.gz NRVPRXVQTSWTIU-DZGCQCFKSA-N 1 1 300.450 3.456 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179741362 432069572 /nfs/dbraw/zinc/06/95/72/432069572.db2.gz ZXEORONOVQKAMQ-CQSZACIVSA-N 1 1 320.433 3.047 20 10 DGCDMO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1O ZINC000170789690 432082023 /nfs/dbraw/zinc/08/20/23/432082023.db2.gz GXHBPSDXWDHUSX-LLVKDONJSA-N 1 1 304.321 3.333 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000246123130 432097493 /nfs/dbraw/zinc/09/74/93/432097493.db2.gz KLOPYCHTQYNVQC-QZTJIDSGSA-N 1 1 320.502 3.239 20 10 DGCDMO CC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H](C)c1cccc(O)c1 ZINC000091975286 193135347 /nfs/dbraw/zinc/13/53/47/193135347.db2.gz ZFQWKBBCZSNZLO-LBPRGKRZSA-N 1 1 315.369 3.410 20 10 DGCDMO CCCOc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c(O)c1 ZINC000268867154 432146008 /nfs/dbraw/zinc/14/60/08/432146008.db2.gz UHERJHNHZCACBK-OAHLLOKOSA-N 1 1 301.390 3.071 20 10 DGCDMO C[C@H]([NH2+]Cc1nccn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268953391 432147948 /nfs/dbraw/zinc/14/79/48/432147948.db2.gz YEXFULPHUMXESH-AWEZNQCLSA-N 1 1 316.424 3.400 20 10 DGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000272511150 130036421 /nfs/dbraw/zinc/03/64/21/130036421.db2.gz XADLUBGVOWFLJF-ZDUSSCGKSA-N 1 1 317.364 3.171 20 10 DGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000272511150 130036422 /nfs/dbraw/zinc/03/64/22/130036422.db2.gz XADLUBGVOWFLJF-ZDUSSCGKSA-N 1 1 317.364 3.171 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000273482397 130126650 /nfs/dbraw/zinc/12/66/50/130126650.db2.gz MFKGBYUPMIJIIT-RVSPLBMKSA-N 1 1 321.417 3.033 20 10 DGCDMO C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(Br)cc1[O-] ZINC000273575661 130139329 /nfs/dbraw/zinc/13/93/29/130139329.db2.gz LRWPMCPARYPFGX-LLVKDONJSA-N 1 1 315.255 3.147 20 10 DGCDMO CCOc1cccc(C[NH2+][C@H](C)c2nnc([C@@H](C)CC)[nH]2)c1O ZINC000277172835 130587933 /nfs/dbraw/zinc/58/79/33/130587933.db2.gz HXDAKGSNNFGYMG-NWDGAFQWSA-N 1 1 318.421 3.273 20 10 DGCDMO CC[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(F)cc1O ZINC000285771067 131200717 /nfs/dbraw/zinc/20/07/17/131200717.db2.gz SUVXNPRPWZUFAM-ZBFHGGJFSA-N 1 1 311.397 3.158 20 10 DGCDMO CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(F)cc1O ZINC000285791343 131202239 /nfs/dbraw/zinc/20/22/39/131202239.db2.gz USHYUERWQUBCDO-CABCVRRESA-N 1 1 303.381 3.383 20 10 DGCDMO CC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(F)cc1O ZINC000286036774 131217151 /nfs/dbraw/zinc/21/71/51/131217151.db2.gz KKGMESWMYUJTTE-AEFFLSMTSA-N 1 1 303.377 3.480 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000366659325 131313574 /nfs/dbraw/zinc/31/35/74/131313574.db2.gz XGJIJNXLDZUUSW-CHWSQXEVSA-N 1 1 323.820 3.107 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1O ZINC000366659339 131313755 /nfs/dbraw/zinc/31/37/55/131313755.db2.gz XGJIJNXLDZUUSW-STQMWFEESA-N 1 1 323.820 3.107 20 10 DGCDMO OC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000289236914 131367964 /nfs/dbraw/zinc/36/79/64/131367964.db2.gz DLWJZXKUAABADK-GXSJLCMTSA-N 1 1 323.742 3.038 20 10 DGCDMO CCC(=O)CCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000289244855 131369015 /nfs/dbraw/zinc/36/90/15/131369015.db2.gz AXSVJKSTERDWSP-QGZVFWFLSA-N 1 1 305.418 3.133 20 10 DGCDMO CCCOc1ccc(C[NH2+]Cc2ccc3cncn3c2)c(O)c1 ZINC000297486326 132018616 /nfs/dbraw/zinc/01/86/16/132018616.db2.gz KBGNWVDZVXWTEM-UHFFFAOYSA-N 1 1 311.385 3.119 20 10 DGCDMO CN(Cc1ccccc1O)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000299135740 132090869 /nfs/dbraw/zinc/09/08/69/132090869.db2.gz FYKRZMRZIYDNCW-GOSISDBHSA-N 1 1 324.424 3.015 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCC(F)(F)F)C[C@H]1CCCO1 ZINC000072952799 400419091 /nfs/dbraw/zinc/41/90/91/400419091.db2.gz OETDRDFRELJCQN-CYBMUJFWSA-N 1 1 303.324 3.326 20 10 DGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000131092134 275061357 /nfs/dbraw/zinc/06/13/57/275061357.db2.gz CXAGUQVBVCYKAE-WMZOPIPTSA-N 1 1 315.438 3.252 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1O ZINC000186442259 278011400 /nfs/dbraw/zinc/01/14/00/278011400.db2.gz XFAGKODFHNOKOV-IBGZPJMESA-N 1 1 311.381 3.032 20 10 DGCDMO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)Cc1ccccc1O ZINC000109768887 431178455 /nfs/dbraw/zinc/17/84/55/431178455.db2.gz OWLZNQHWEPTISD-OAHLLOKOSA-N 1 1 324.424 3.192 20 10 DGCDMO CC(C)N(C(=O)C[N@@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000109771205 431178505 /nfs/dbraw/zinc/17/85/05/431178505.db2.gz BCRDALJAPQZJSZ-UHFFFAOYSA-N 1 1 312.413 3.266 20 10 DGCDMO Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414152574 280269470 /nfs/dbraw/zinc/26/94/70/280269470.db2.gz QMJXSOTXMICCJH-CQSZACIVSA-N 1 1 308.429 3.480 20 10 DGCDMO CCCOc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)c(O)c1 ZINC000093597913 431915609 /nfs/dbraw/zinc/91/56/09/431915609.db2.gz UVEPABHFFXGBBC-MRXNPFEDSA-N 1 1 318.461 3.099 20 10 DGCDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093845536 431918318 /nfs/dbraw/zinc/91/83/18/431918318.db2.gz MRGMPDORPBHZSV-HNNXBMFYSA-N 1 1 314.385 3.187 20 10 DGCDMO Cc1noc([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000091832652 431904875 /nfs/dbraw/zinc/90/48/75/431904875.db2.gz NOJCAJMHGVPTBP-NSHDSACASA-N 1 1 307.781 3.117 20 10 DGCDMO C[NH+](C)C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000125463688 431926816 /nfs/dbraw/zinc/92/68/16/431926816.db2.gz RSNBYTLEIBIGOF-GOSISDBHSA-N 1 1 301.478 3.060 20 10 DGCDMO Cc1nn(C)cc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000271050814 432323211 /nfs/dbraw/zinc/32/32/11/432323211.db2.gz AHPGNLWAKAXERO-UHFFFAOYSA-N 1 1 300.450 3.205 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192049431 432328176 /nfs/dbraw/zinc/32/81/76/432328176.db2.gz LJXBPTJSVGCWLH-OAHLLOKOSA-N 1 1 303.402 3.090 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000271178328 432346787 /nfs/dbraw/zinc/34/67/87/432346787.db2.gz KITOWADHMVPBKC-UHFFFAOYSA-N 1 1 305.418 3.184 20 10 DGCDMO CC[N@@H+](CCCCOC)Cc1cc(Br)ccc1O ZINC000174424319 432347656 /nfs/dbraw/zinc/34/76/56/432347656.db2.gz BLPLLUMKBAJSQH-UHFFFAOYSA-N 1 1 316.239 3.403 20 10 DGCDMO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000174476071 432350234 /nfs/dbraw/zinc/35/02/34/432350234.db2.gz LFOPVZMZOXRNGW-MRXNPFEDSA-N 1 1 301.386 3.254 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000253352174 432391285 /nfs/dbraw/zinc/39/12/85/432391285.db2.gz NIWMHTPQCKCTHB-DFKRKDTASA-N 1 1 311.784 3.232 20 10 DGCDMO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cc(Cl)c(Cl)cc1O ZINC000192927436 432430701 /nfs/dbraw/zinc/43/07/01/432430701.db2.gz MNBXYAFRWKAIPN-AMIZOPFISA-N 1 1 322.257 3.218 20 10 DGCDMO COc1ccc(O)c([C@@H](C)NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000192952716 432434598 /nfs/dbraw/zinc/43/45/98/432434598.db2.gz LBPHKOZSQDCEKT-RHSMWYFYSA-N 1 1 306.450 3.172 20 10 DGCDMO COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192871834 432424490 /nfs/dbraw/zinc/42/44/90/432424490.db2.gz IPGWHEZEPPLAFU-YMTOWFKASA-N 1 1 322.232 3.137 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)cc1O ZINC000186136277 432562341 /nfs/dbraw/zinc/56/23/41/432562341.db2.gz WUJKBQBVWXWIRB-AXAPSJFSSA-N 1 1 311.422 3.237 20 10 DGCDMO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000185825939 432536955 /nfs/dbraw/zinc/53/69/55/432536955.db2.gz UEUOLYVCIRWIAQ-SJCJKPOMSA-N 1 1 319.376 3.314 20 10 DGCDMO C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(F)cc1O ZINC000186165614 432565519 /nfs/dbraw/zinc/56/55/19/432565519.db2.gz RWGBWUAYAHZEGV-XIKOKIGWSA-N 1 1 301.361 3.016 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@@H](O)c1cccc(F)c1 ZINC000273463338 432601689 /nfs/dbraw/zinc/60/16/89/432601689.db2.gz INHXTKDGCVANLE-WVQJBOLRSA-N 1 1 307.340 3.443 20 10 DGCDMO CC1CCN(c2ccc(C[NH2+][C@@H]3CCN(C)[C@H](C)C3)cc2)CC1 ZINC000157493315 432622781 /nfs/dbraw/zinc/62/27/81/432622781.db2.gz NUGQZINKDMDWMR-IEBWSBKVSA-N 1 1 315.505 3.495 20 10 DGCDMO COCC1=CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000187617364 432672542 /nfs/dbraw/zinc/67/25/42/432672542.db2.gz BGKDHKQOKSAWJB-UHFFFAOYSA-N 1 1 300.446 3.455 20 10 DGCDMO COc1c(O)c(C[N@H+](C)CCc2cccs2)ccc1[N+](=O)[O-] ZINC000278253117 432890417 /nfs/dbraw/zinc/89/04/17/432890417.db2.gz PHSDTLFLIXIYPW-UHFFFAOYSA-N 1 1 322.386 3.045 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)CCc2cccs2)ccc1[N+](=O)[O-] ZINC000278253117 432890420 /nfs/dbraw/zinc/89/04/20/432890420.db2.gz PHSDTLFLIXIYPW-UHFFFAOYSA-N 1 1 322.386 3.045 20 10 DGCDMO CC[C@@H]([NH2+][C@H](C(=O)N(C)CC)C(C)C)c1ccc(F)cc1O ZINC000296586234 432923313 /nfs/dbraw/zinc/92/33/13/432923313.db2.gz URZKKSBDSNNAIR-ZBFHGGJFSA-N 1 1 310.413 3.075 20 10 DGCDMO COc1c(O)c(C[NH2+][C@H](C)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000278619730 432898410 /nfs/dbraw/zinc/89/84/10/432898410.db2.gz FRMROCJMXSFFPJ-GFCCVEGCSA-N 1 1 316.357 3.468 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278932834 432918736 /nfs/dbraw/zinc/91/87/36/432918736.db2.gz WPIYBRUGVSCDGG-CQSZACIVSA-N 1 1 314.341 3.086 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000289641117 432970482 /nfs/dbraw/zinc/97/04/82/432970482.db2.gz SMSMROOPPZMUEQ-QZTJIDSGSA-N 1 1 300.446 3.286 20 10 DGCDMO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1ccccc1O ZINC000289821554 432974001 /nfs/dbraw/zinc/97/40/01/432974001.db2.gz TZAVMKRCWVVQFS-UHFFFAOYSA-N 1 1 304.434 3.005 20 10 DGCDMO CCc1nnc(C[NH2+][C@H](C)c2ccc(N(C)CC)cc2)s1 ZINC000290171006 433005892 /nfs/dbraw/zinc/00/58/92/433005892.db2.gz MRLHAUJXVDQBSL-GFCCVEGCSA-N 1 1 304.463 3.407 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C)C2CCC(CO)CC2)c1O ZINC000290368575 433040179 /nfs/dbraw/zinc/04/01/79/433040179.db2.gz HICXMAREXLJUNA-UHFFFAOYSA-N 1 1 313.825 3.037 20 10 DGCDMO C[NH+]1CCC([C@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)CC1 ZINC000290478008 433063853 /nfs/dbraw/zinc/06/38/53/433063853.db2.gz NXMUFDOSQZALIW-AWEZNQCLSA-N 1 1 308.853 3.209 20 10 DGCDMO C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)CC1 ZINC000290478008 433063864 /nfs/dbraw/zinc/06/38/64/433063864.db2.gz NXMUFDOSQZALIW-AWEZNQCLSA-N 1 1 308.853 3.209 20 10 DGCDMO Cc1cnn([C@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)c1 ZINC000290928687 433209650 /nfs/dbraw/zinc/20/96/50/433209650.db2.gz ORRZCCRNTRDVSL-INIZCTEOSA-N 1 1 307.397 3.497 20 10 DGCDMO c1n[nH]c2c1CC[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC000374541119 433217603 /nfs/dbraw/zinc/21/76/03/433217603.db2.gz JFFKQTLUOKTOGH-QGZVFWFLSA-N 1 1 310.445 3.047 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000290997447 433217499 /nfs/dbraw/zinc/21/74/99/433217499.db2.gz APVCVKMNYHFJHF-WBVHZDCISA-N 1 1 305.418 3.180 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000291542631 433264651 /nfs/dbraw/zinc/26/46/51/433264651.db2.gz LKLVJNYKPSCJCE-SJORKVTESA-N 1 1 305.418 3.180 20 10 DGCDMO Cc1nn(C(C)C)cc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000281784951 433377895 /nfs/dbraw/zinc/37/78/95/433377895.db2.gz XLAYDGFJASIAMG-UHFFFAOYSA-N 1 1 300.450 3.470 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cnccc2OC)cc1F ZINC000292526388 433580807 /nfs/dbraw/zinc/58/08/07/433580807.db2.gz FHILIGDRINUBAT-UHFFFAOYSA-N 1 1 317.408 3.365 20 10 DGCDMO CCC[N@H+](Cc1ncnn1C(C)(C)C)Cc1ccccc1O ZINC000283216703 433692569 /nfs/dbraw/zinc/69/25/69/433692569.db2.gz SKVUPPYFAZLWGU-UHFFFAOYSA-N 1 1 302.422 3.151 20 10 DGCDMO CCC[N@@H+](Cc1ncnn1C(C)(C)C)Cc1ccccc1O ZINC000283216703 433692580 /nfs/dbraw/zinc/69/25/80/433692580.db2.gz SKVUPPYFAZLWGU-UHFFFAOYSA-N 1 1 302.422 3.151 20 10 DGCDMO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(N(C)C)c(C)c2)n1 ZINC000293551206 433777412 /nfs/dbraw/zinc/77/74/12/433777412.db2.gz LDPRHDGGZZGOQV-KRWDZBQOSA-N 1 1 314.433 3.480 20 10 DGCDMO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(N(C)C)c(C)c2)n1 ZINC000293551206 433777417 /nfs/dbraw/zinc/77/74/17/433777417.db2.gz LDPRHDGGZZGOQV-KRWDZBQOSA-N 1 1 314.433 3.480 20 10 DGCDMO COCC1(CC[NH2+]Cc2cc(Cl)c(F)cc2O)CCC1 ZINC000293575870 433787853 /nfs/dbraw/zinc/78/78/53/433787853.db2.gz HHQXRRZFWSLUQD-UHFFFAOYSA-N 1 1 301.789 3.481 20 10 DGCDMO CO[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000377243663 433850189 /nfs/dbraw/zinc/85/01/89/433850189.db2.gz VJRXOGOGTWUAMF-ZDUSSCGKSA-N 1 1 314.223 3.156 20 10 DGCDMO CC(C)(CO)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000294039502 433973094 /nfs/dbraw/zinc/97/30/94/433973094.db2.gz WEZGXBYELONMEP-AWEZNQCLSA-N 1 1 301.789 3.071 20 10 DGCDMO COC1CCN(c2ccc(C[N@H+]3C[C@H](C)[C@H](C)C3)cc2)CC1 ZINC000295032127 434162758 /nfs/dbraw/zinc/16/27/58/434162758.db2.gz NCWPCPSZDUBZHQ-IYBDPMFKSA-N 1 1 302.462 3.390 20 10 DGCDMO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCCOCC1 ZINC000363847215 434163376 /nfs/dbraw/zinc/16/33/76/434163376.db2.gz MMCPGTDNVWJRIK-UHFFFAOYSA-N 1 1 313.397 3.194 20 10 DGCDMO CC[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(F)cc1O ZINC000286375758 434251629 /nfs/dbraw/zinc/25/16/29/434251629.db2.gz ALERGCVTZSYCRY-HUUCEWRRSA-N 1 1 303.381 3.383 20 10 DGCDMO C[C@H](O)C[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295940445 434443167 /nfs/dbraw/zinc/44/31/67/434443167.db2.gz GGNXFMNIPOCHKT-AWEZNQCLSA-N 1 1 304.459 3.197 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1O ZINC000367687364 434555067 /nfs/dbraw/zinc/55/50/67/434555067.db2.gz QJOVPEISUHOHCS-LSDHHAIUSA-N 1 1 305.418 3.039 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000367973532 434563320 /nfs/dbraw/zinc/56/33/20/434563320.db2.gz PBZPJZLXYXOUDB-LJQANCHMSA-N 1 1 312.457 3.288 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)c1 ZINC000368211263 434568589 /nfs/dbraw/zinc/56/85/89/434568589.db2.gz CUSGEGWBHBEPNB-OTYXRUKQSA-N 1 1 321.323 3.463 20 10 DGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000370675772 434617696 /nfs/dbraw/zinc/61/76/96/434617696.db2.gz FBZQVDYKSJHZAK-IEZWGBDMSA-N 1 1 301.478 3.420 20 10 DGCDMO CCN(C)c1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000370675772 434617703 /nfs/dbraw/zinc/61/77/03/434617703.db2.gz FBZQVDYKSJHZAK-IEZWGBDMSA-N 1 1 301.478 3.420 20 10 DGCDMO CCN(C)c1ccc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000370675772 434617710 /nfs/dbraw/zinc/61/77/10/434617710.db2.gz FBZQVDYKSJHZAK-IEZWGBDMSA-N 1 1 301.478 3.420 20 10 DGCDMO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cc(C)on2)cc1OC ZINC000372391627 434820446 /nfs/dbraw/zinc/82/04/46/434820446.db2.gz FAHPWEZRTCULIY-AWEZNQCLSA-N 1 1 318.373 3.043 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2cc(C)on2)cc1OC ZINC000372391627 434820449 /nfs/dbraw/zinc/82/04/49/434820449.db2.gz FAHPWEZRTCULIY-AWEZNQCLSA-N 1 1 318.373 3.043 20 10 DGCDMO CCOc1cccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)c1O ZINC000372403827 434821020 /nfs/dbraw/zinc/82/10/20/434821020.db2.gz HKZIRHIURMQKHV-KRWDZBQOSA-N 1 1 313.397 3.364 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCOC[C@H]2c2ccccc2)c1O ZINC000372403827 434821023 /nfs/dbraw/zinc/82/10/23/434821023.db2.gz HKZIRHIURMQKHV-KRWDZBQOSA-N 1 1 313.397 3.364 20 10 DGCDMO CO[C@H](Cc1ccc(F)cc1)C[N@@H+](C)Cc1ccccc1O ZINC000528420341 435022784 /nfs/dbraw/zinc/02/27/84/435022784.db2.gz UQMNDRLJPVNTLF-QGZVFWFLSA-N 1 1 303.377 3.221 20 10 DGCDMO CCc1nocc1C[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000293715757 335112333 /nfs/dbraw/zinc/11/23/33/335112333.db2.gz STWMSDWGNPRFAL-UHFFFAOYSA-N 1 1 310.781 3.237 20 10 DGCDMO CC[N@@H+](CCCCCO)Cc1cc(Br)ccc1O ZINC000266576950 521001637 /nfs/dbraw/zinc/00/16/37/521001637.db2.gz QOJMPPRDZLPEOY-UHFFFAOYSA-N 1 1 316.239 3.139 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccc(O)c(OC)c2)c1 ZINC000179944988 521143793 /nfs/dbraw/zinc/14/37/93/521143793.db2.gz MWRPUPQMYKZBSD-UHFFFAOYSA-N 1 1 317.385 3.137 20 10 DGCDMO CCOc1cccc(C[NH2+]Cc2csc([C@@H](C)OC)n2)c1O ZINC000267617844 521368295 /nfs/dbraw/zinc/36/82/95/521368295.db2.gz JYFTZXRFOYZXAR-LLVKDONJSA-N 1 1 322.430 3.245 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)NC1CCCC1 ZINC000266536844 521690843 /nfs/dbraw/zinc/69/08/43/521690843.db2.gz HKUZWHPGDAGXKI-CQSZACIVSA-N 1 1 304.434 3.052 20 10 DGCDMO CC[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(F)cc1O ZINC000367613965 522604156 /nfs/dbraw/zinc/60/41/56/522604156.db2.gz GPNVTJOQPBAHPT-INIZCTEOSA-N 1 1 317.408 3.348 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)C[C@@H](C)c2nccs2)cc1OC ZINC000182849218 522769954 /nfs/dbraw/zinc/76/99/54/522769954.db2.gz AZYLFABWXKRSIU-LLVKDONJSA-N 1 1 322.430 3.101 20 10 DGCDMO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(N(C)C)cc2)cs1 ZINC000267633534 523474164 /nfs/dbraw/zinc/47/41/64/523474164.db2.gz OQWIXDOCBCQRAW-LBPRGKRZSA-N 1 1 305.447 3.206 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000159479327 524007453 /nfs/dbraw/zinc/00/74/53/524007453.db2.gz XUXANCBFLNNJLH-UHFFFAOYSA-N 1 1 317.385 3.050 20 10 DGCDMO C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1ccc(F)cc1O ZINC000187927227 525458971 /nfs/dbraw/zinc/45/89/71/525458971.db2.gz BNFNMBDRVCYIMU-FZKQIMNGSA-N 1 1 303.377 3.480 20 10 DGCDMO Cc1cnc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000180582308 526009885 /nfs/dbraw/zinc/00/98/85/526009885.db2.gz WTJONCBINIDCOV-HNNXBMFYSA-N 1 1 318.442 3.338 20 10 DGCDMO Cc1cnc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000180582308 526009894 /nfs/dbraw/zinc/00/98/94/526009894.db2.gz WTJONCBINIDCOV-HNNXBMFYSA-N 1 1 318.442 3.338 20 10 DGCDMO Cc1cncc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000189951855 526190988 /nfs/dbraw/zinc/19/09/88/526190988.db2.gz QXWPKUIQNNNPKA-GOSISDBHSA-N 1 1 312.413 3.277 20 10 DGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000180766081 526325886 /nfs/dbraw/zinc/32/58/86/526325886.db2.gz FFESWHLGOBAHRX-CXAGYDPISA-N 1 1 320.864 3.494 20 10 DGCDMO [O-]c1c(Cl)cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180766081 526325893 /nfs/dbraw/zinc/32/58/93/526325893.db2.gz FFESWHLGOBAHRX-CXAGYDPISA-N 1 1 320.864 3.494 20 10 DGCDMO [O-]c1c(Cl)cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180766081 526325895 /nfs/dbraw/zinc/32/58/95/526325895.db2.gz FFESWHLGOBAHRX-CXAGYDPISA-N 1 1 320.864 3.494 20 10 DGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000180470895 526327571 /nfs/dbraw/zinc/32/75/71/526327571.db2.gz SYASCRZHDNQBHB-AWEZNQCLSA-N 1 1 308.853 3.353 20 10 DGCDMO Nc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000160422735 527492318 /nfs/dbraw/zinc/49/23/18/527492318.db2.gz PLMMDAPVPXAJNL-SFHVURJKSA-N 1 1 309.413 3.262 20 10 DGCDMO CC[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(F)cc1O ZINC000285890126 535911251 /nfs/dbraw/zinc/91/12/51/535911251.db2.gz CFGZYUGQXSJKTC-RDJZCZTQSA-N 1 1 307.340 3.445 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(F)cc1O ZINC000286375777 535936814 /nfs/dbraw/zinc/93/68/14/535936814.db2.gz ALERGCVTZSYCRY-LSDHHAIUSA-N 1 1 303.381 3.383 20 10 DGCDMO CCCCCC[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000731864458 574560657 /nfs/dbraw/zinc/56/06/57/574560657.db2.gz VQHPWFUROBQBHG-UHFFFAOYSA-N 1 1 319.493 3.223 20 10 DGCDMO Cc1cc(O)c(C[NH+]2CCN(C3CCC3)CC2)cc1C(C)C ZINC000733297618 574613837 /nfs/dbraw/zinc/61/38/37/574613837.db2.gz MBGKUXNVANISRJ-UHFFFAOYSA-N 1 1 302.462 3.494 20 10 DGCDMO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733325269 574615841 /nfs/dbraw/zinc/61/58/41/574615841.db2.gz HKVPUOXERXMMLD-OAGGEKHMSA-N 1 1 321.484 3.348 20 10 DGCDMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613227 574632362 /nfs/dbraw/zinc/63/23/62/574632362.db2.gz FYWATBOIXGISTK-SFHVURJKSA-N 1 1 321.461 3.170 20 10 DGCDMO CCCOC(=O)[C@H](C)[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000741785044 574971075 /nfs/dbraw/zinc/97/10/75/574971075.db2.gz NSDGUEGMOMHXHH-AWEZNQCLSA-N 1 1 305.418 3.479 20 10 DGCDMO CCN(CC)c1ccc(CNCC[N@@H+]2CCC[C@H]2C)cc1F ZINC000742386610 574995255 /nfs/dbraw/zinc/99/52/55/574995255.db2.gz JJLFAAJSYNTVBZ-OAHLLOKOSA-N 1 1 307.457 3.246 20 10 DGCDMO CCN(CC)c1ccc(CNCC[N@H+]2CCC[C@H]2C)cc1F ZINC000742386610 574995256 /nfs/dbraw/zinc/99/52/56/574995256.db2.gz JJLFAAJSYNTVBZ-OAHLLOKOSA-N 1 1 307.457 3.246 20 10 DGCDMO CC[NH+](CC)C[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000743387618 575048192 /nfs/dbraw/zinc/04/81/92/575048192.db2.gz LLIOISBWRRHVOJ-HNNXBMFYSA-N 1 1 302.462 3.045 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000743870491 575066719 /nfs/dbraw/zinc/06/67/19/575066719.db2.gz UFXLLKHRDBAZSO-GOSISDBHSA-N 1 1 324.424 3.410 20 10 DGCDMO C[NH+](C)[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000746697457 575470536 /nfs/dbraw/zinc/47/05/36/575470536.db2.gz VAGAAJBLIOZUNZ-ZDUSSCGKSA-N 1 1 324.833 3.140 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCOC3)C1)CCC2 ZINC000747830241 575544864 /nfs/dbraw/zinc/54/48/64/575544864.db2.gz LQOYOAPASUBCRM-DLBZAZTESA-N 1 1 301.430 3.129 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)CCOc2ccccc2)c1O ZINC000748046921 575558258 /nfs/dbraw/zinc/55/82/58/575558258.db2.gz XEPBWPNDUYDWHB-UHFFFAOYSA-N 1 1 317.360 3.245 20 10 DGCDMO COC(=O)/C(C)=C\C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000749115916 575628343 /nfs/dbraw/zinc/62/83/43/575628343.db2.gz MAOOXNDIEXIBSU-PTNGSMBKSA-N 1 1 304.434 3.082 20 10 DGCDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749116379 575628473 /nfs/dbraw/zinc/62/84/73/575628473.db2.gz OMNRLJRXYJPVPI-MRXNPFEDSA-N 1 1 319.493 3.079 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000749799944 575679404 /nfs/dbraw/zinc/67/94/04/575679404.db2.gz PZUYCYIFTWIBMD-ZIAGYGMSSA-N 1 1 319.445 3.254 20 10 DGCDMO Cc1cnc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000750282037 575716313 /nfs/dbraw/zinc/71/63/13/575716313.db2.gz KISHZUNETAWGII-UHFFFAOYSA-N 1 1 310.445 3.407 20 10 DGCDMO Cc1cnc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000750282037 575716315 /nfs/dbraw/zinc/71/63/15/575716315.db2.gz KISHZUNETAWGII-UHFFFAOYSA-N 1 1 310.445 3.407 20 10 DGCDMO CCC[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C)Cc1ccccc1O ZINC000750875756 575757146 /nfs/dbraw/zinc/75/71/46/575757146.db2.gz WOVCVRKWHALITP-WBVHZDCISA-N 1 1 318.461 3.299 20 10 DGCDMO CCC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)Cc1ccccc1O ZINC000750875754 575757149 /nfs/dbraw/zinc/75/71/49/575757149.db2.gz WOVCVRKWHALITP-NVXWUHKLSA-N 1 1 318.461 3.299 20 10 DGCDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000751605004 575793236 /nfs/dbraw/zinc/79/32/36/575793236.db2.gz NTJJEGMGRFCIRP-CZUORRHYSA-N 1 1 311.381 3.499 20 10 DGCDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000725780404 575912430 /nfs/dbraw/zinc/91/24/30/575912430.db2.gz UMADJSAQFSPHND-CQSZACIVSA-N 1 1 311.381 3.419 20 10 DGCDMO CCOC(=O)CCC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000726691952 576037076 /nfs/dbraw/zinc/03/70/76/576037076.db2.gz QEXQYSBKCMZVMF-UHFFFAOYSA-N 1 1 306.450 3.306 20 10 DGCDMO CCN(CC)c1ccc(CNCCC[N@@H+](C)C(C)C)cc1F ZINC000740002471 576076172 /nfs/dbraw/zinc/07/61/72/576076172.db2.gz OFIAXRDVVPZELK-UHFFFAOYSA-N 1 1 309.473 3.492 20 10 DGCDMO COc1ccc(N2CCC(Nc3[nH+]cnc4[nH]ccc43)CC2)cc1 ZINC000726968503 576088647 /nfs/dbraw/zinc/08/86/47/576088647.db2.gz VQYSREVQMNMTHC-UHFFFAOYSA-N 1 1 323.400 3.047 20 10 DGCDMO Cc1ccc2nc(C[N@@H+](C)Cc3ccc(N(C)C)cc3)cn2c1 ZINC000726981334 576091430 /nfs/dbraw/zinc/09/14/30/576091430.db2.gz RNUFYUHEULJTPQ-UHFFFAOYSA-N 1 1 308.429 3.341 20 10 DGCDMO Cc1ccc2nc(C[N@H+](C)Cc3ccc(N(C)C)cc3)cn2c1 ZINC000726981334 576091431 /nfs/dbraw/zinc/09/14/31/576091431.db2.gz RNUFYUHEULJTPQ-UHFFFAOYSA-N 1 1 308.429 3.341 20 10 DGCDMO CCN(CC)[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC(C)C ZINC000917395022 620666870 /nfs/dbraw/zinc/66/68/70/620666870.db2.gz ZEQYVWUULHKGGQ-SFHVURJKSA-N 1 1 304.478 3.468 20 10 DGCDMO CC[C@@H](C)[N@@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000154555512 620686855 /nfs/dbraw/zinc/68/68/55/620686855.db2.gz RLCSJBAFRYONOW-SECBINFHSA-N 1 1 302.212 3.394 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC3(CCCC3)OC[C@H]2C)c1O ZINC000853577862 620711868 /nfs/dbraw/zinc/71/18/68/620711868.db2.gz LUKJDRJJEZHAQR-CQSZACIVSA-N 1 1 305.418 3.243 20 10 DGCDMO CCc1nc(NCc2cc(Br)ccc2O)cc(C)[nH+]1 ZINC000804828326 617680015 /nfs/dbraw/zinc/68/00/15/617680015.db2.gz NIHNRWCFYWRNCL-UHFFFAOYSA-N 1 1 322.206 3.428 20 10 DGCDMO COc1ccc(C[N@@H+](C)CCc2ccc(F)cc2)c(O)c1OC ZINC000891742904 617887199 /nfs/dbraw/zinc/88/71/99/617887199.db2.gz GOJILPSVNBBEII-UHFFFAOYSA-N 1 1 319.376 3.223 20 10 DGCDMO COc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c(O)c1OC ZINC000892120341 617966275 /nfs/dbraw/zinc/96/62/75/617966275.db2.gz GXUKCTGDDIZXBL-HIFRSBDPSA-N 1 1 323.458 3.269 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)c(O)c1OC ZINC000892130320 617970070 /nfs/dbraw/zinc/97/00/70/617970070.db2.gz KBTRHAGCJKWNIM-MRXNPFEDSA-N 1 1 313.397 3.226 20 10 DGCDMO COc1cc(C)cc(CNCC[C@@H](C)[NH+]2CCCCC2)c1O ZINC000894445932 618335961 /nfs/dbraw/zinc/33/59/61/618335961.db2.gz QXBCKVSYLASNOI-OAHLLOKOSA-N 1 1 306.450 3.063 20 10 DGCDMO CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894779584 618455097 /nfs/dbraw/zinc/45/50/97/618455097.db2.gz IXLNNGHNAZFLKA-UHFFFAOYSA-N 1 1 323.387 3.342 20 10 DGCDMO CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894779584 618455101 /nfs/dbraw/zinc/45/51/01/618455101.db2.gz IXLNNGHNAZFLKA-UHFFFAOYSA-N 1 1 323.387 3.342 20 10 DGCDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894781295 618455568 /nfs/dbraw/zinc/45/55/68/618455568.db2.gz FWIGUNZCQVZKLU-AWEZNQCLSA-N 1 1 307.344 3.347 20 10 DGCDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894781295 618455570 /nfs/dbraw/zinc/45/55/70/618455570.db2.gz FWIGUNZCQVZKLU-AWEZNQCLSA-N 1 1 307.344 3.347 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000840911817 618525496 /nfs/dbraw/zinc/52/54/96/618525496.db2.gz SHZXQIBHHKHUTO-QGZVFWFLSA-N 1 1 312.461 3.174 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000840911816 618525717 /nfs/dbraw/zinc/52/57/17/618525717.db2.gz SHZXQIBHHKHUTO-KRWDZBQOSA-N 1 1 312.461 3.174 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc2c(cc1O)CCCC2 ZINC000925780798 618618092 /nfs/dbraw/zinc/61/80/92/618618092.db2.gz GZLCINGRXBCCJU-IUODEOHRSA-N 1 1 324.415 3.166 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(N(C)C)cc1 ZINC000925782693 618618821 /nfs/dbraw/zinc/61/88/21/618618821.db2.gz MOZOFVJXCUVAFM-GOEBONIOSA-N 1 1 311.420 3.038 20 10 DGCDMO CC[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N(C)C)cc1 ZINC000925782693 618618824 /nfs/dbraw/zinc/61/88/24/618618824.db2.gz MOZOFVJXCUVAFM-GOEBONIOSA-N 1 1 311.420 3.038 20 10 DGCDMO C[C@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)c1cc(F)cc(F)c1O ZINC000925856025 618646750 /nfs/dbraw/zinc/64/67/50/618646750.db2.gz PUKKWDVVNCSFOR-ISVAXAHUSA-N 1 1 324.293 3.006 20 10 DGCDMO Cc1cc(Cl)cc(C[NH2+]Cc2nnc(C3CC3)s2)c1O ZINC000840973528 618648795 /nfs/dbraw/zinc/64/87/95/618648795.db2.gz OIQUUVPBFPWPCN-UHFFFAOYSA-N 1 1 309.822 3.373 20 10 DGCDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000840975375 618651738 /nfs/dbraw/zinc/65/17/38/618651738.db2.gz GOHHAHOYLOJITN-LJQANCHMSA-N 1 1 313.397 3.321 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c1O ZINC000894003013 618692816 /nfs/dbraw/zinc/69/28/16/618692816.db2.gz CAFBNAJAGPNTPV-AWEZNQCLSA-N 1 1 321.417 3.015 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c1O ZINC000894003013 618692817 /nfs/dbraw/zinc/69/28/17/618692817.db2.gz CAFBNAJAGPNTPV-AWEZNQCLSA-N 1 1 321.417 3.015 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c1O ZINC000894020551 618693956 /nfs/dbraw/zinc/69/39/56/618693956.db2.gz HJPYAYDNCQGDGE-CQSZACIVSA-N 1 1 315.413 3.478 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)c(O)c1OC ZINC000895491122 618791088 /nfs/dbraw/zinc/79/10/88/618791088.db2.gz FXGHZNRTGVADFL-OAHLLOKOSA-N 1 1 323.433 3.046 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000895573619 618800497 /nfs/dbraw/zinc/80/04/97/618800497.db2.gz QCWDVTLWTBXXGX-SNVBAGLBSA-N 1 1 302.187 3.255 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](CF)C2)c1 ZINC000895573619 618800498 /nfs/dbraw/zinc/80/04/98/618800498.db2.gz QCWDVTLWTBXXGX-SNVBAGLBSA-N 1 1 302.187 3.255 20 10 DGCDMO Cc1nc([C@@H]2CC[N@@H+](Cc3c(O)cc(C)cc3Cl)C2)no1 ZINC000896231748 618889666 /nfs/dbraw/zinc/88/96/66/618889666.db2.gz DGZWHTVPTKUGJH-LLVKDONJSA-N 1 1 307.781 3.035 20 10 DGCDMO CC(C)(C)CC(=O)N1CCC([NH2+]Cc2c(O)cccc2F)CC1 ZINC000896637520 618939681 /nfs/dbraw/zinc/93/96/81/618939681.db2.gz OEWQDMWSFLJWET-UHFFFAOYSA-N 1 1 322.424 3.048 20 10 DGCDMO COc1cc2c(cc1C[NH2+]Cc1c(O)cccc1F)O[C@H](C)C2 ZINC000896639239 618939988 /nfs/dbraw/zinc/93/99/88/618939988.db2.gz BJPOXHQALNVRAI-LLVKDONJSA-N 1 1 317.360 3.153 20 10 DGCDMO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(Cl)cc1O ZINC000841746288 619136471 /nfs/dbraw/zinc/13/64/71/619136471.db2.gz XSDYRTXSMGFUAV-GFCCVEGCSA-N 1 1 310.825 3.099 20 10 DGCDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000897579013 619162456 /nfs/dbraw/zinc/16/24/56/619162456.db2.gz MEAQDICTCWQZPZ-LBPRGKRZSA-N 1 1 321.808 3.192 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@@H]1O ZINC000897679199 619172799 /nfs/dbraw/zinc/17/27/99/619172799.db2.gz IOGSWLONCUSLQQ-KDOFPFPSSA-N 1 1 316.470 3.197 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2cccc(Cl)c2)cc1 ZINC000841041451 619243017 /nfs/dbraw/zinc/24/30/17/619243017.db2.gz CJCMKASRNBTLOE-KRWDZBQOSA-N 1 1 303.837 3.196 20 10 DGCDMO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000898484291 619278383 /nfs/dbraw/zinc/27/83/83/619278383.db2.gz SKTPVAPKZHYJPT-ZJUUUORDSA-N 1 1 315.772 3.006 20 10 DGCDMO O[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000898555466 619284967 /nfs/dbraw/zinc/28/49/67/619284967.db2.gz MKKVFTHBJIQJKI-NZSAHSFTSA-N 1 1 300.446 3.022 20 10 DGCDMO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(Cl)c(Cl)c1[O-] ZINC000902478407 619638727 /nfs/dbraw/zinc/63/87/27/619638727.db2.gz WMMMXWPBOXYUQX-IZLWQMGWSA-N 1 1 301.217 3.243 20 10 DGCDMO C[C@@H]([NH2+]Cc1csc(N)n1)c1cccc(C(F)(F)F)c1O ZINC000902498347 619643739 /nfs/dbraw/zinc/64/37/39/619643739.db2.gz FABWBFLADZCZCN-SSDOTTSWSA-N 1 1 317.336 3.301 20 10 DGCDMO CN(C)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1F ZINC000903083883 619713132 /nfs/dbraw/zinc/71/31/32/619713132.db2.gz PUNDKRDBNHHCHC-ZXFUBFMLSA-N 1 1 317.452 3.139 20 10 DGCDMO CN(C)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1F ZINC000903083883 619713134 /nfs/dbraw/zinc/71/31/34/619713134.db2.gz PUNDKRDBNHHCHC-ZXFUBFMLSA-N 1 1 317.452 3.139 20 10 DGCDMO Cc1cc(C[NH2+][C@@H](C)c2cn(C)nn2)c(C)n1-c1ccccc1 ZINC000903068982 619714670 /nfs/dbraw/zinc/71/46/70/619714670.db2.gz AOPMILBQPOIEMA-AWEZNQCLSA-N 1 1 309.417 3.073 20 10 DGCDMO C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1c(O)cccc1F ZINC000903238109 619742284 /nfs/dbraw/zinc/74/22/84/619742284.db2.gz DWJRNXIRLKEGAJ-NSHDSACASA-N 1 1 324.396 3.239 20 10 DGCDMO C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccc(F)cc1O ZINC000903240553 619742969 /nfs/dbraw/zinc/74/29/69/619742969.db2.gz UEOYFGODNYMADU-LBPRGKRZSA-N 1 1 303.381 3.379 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1cccc(C(F)(F)F)c1O ZINC000903301269 619753804 /nfs/dbraw/zinc/75/38/04/619753804.db2.gz PETLODFUGRKBOU-OUJBWJOFSA-N 1 1 302.340 3.154 20 10 DGCDMO C[C@@H]([NH2+][C@H](CO)CCc1ccccc1)c1ccc(F)cc1O ZINC000903289497 619754750 /nfs/dbraw/zinc/75/47/50/619754750.db2.gz KODBRKXWDVFGEG-CJNGLKHVSA-N 1 1 303.377 3.176 20 10 DGCDMO CC[C@H]([NH2+]CCOC1CCSCC1)c1ccc(F)cc1O ZINC000903444413 619777883 /nfs/dbraw/zinc/77/78/83/619777883.db2.gz ANPSJUBFKXFSLE-HNNXBMFYSA-N 1 1 313.438 3.484 20 10 DGCDMO C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccns1 ZINC000903447675 619778271 /nfs/dbraw/zinc/77/82/71/619778271.db2.gz AUVHPNSFYRKLGF-CJNGLKHVSA-N 1 1 318.490 3.163 20 10 DGCDMO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccoc1 ZINC000903447808 619778331 /nfs/dbraw/zinc/77/83/31/619778331.db2.gz CUSWTTZTYJQYQK-KSSFIOAISA-N 1 1 301.434 3.299 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCOc3ccc(N)cc3C2)cc1 ZINC000903943756 619842369 /nfs/dbraw/zinc/84/23/69/619842369.db2.gz BMLBRMITHDHVKP-ONEGZZNKSA-N 1 1 323.440 3.243 20 10 DGCDMO CCC1([NH3+])CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000903946832 619843922 /nfs/dbraw/zinc/84/39/22/619843922.db2.gz CKAFSNQJJGIAHL-UHFFFAOYSA-N 1 1 301.478 3.380 20 10 DGCDMO CN(C)c1ccc(C[NH2+]Cc2cc(N)ccn2)c(C(F)(F)F)c1 ZINC000903954344 619846514 /nfs/dbraw/zinc/84/65/14/619846514.db2.gz QXVVFELBUYPWRO-UHFFFAOYSA-N 1 1 324.350 3.038 20 10 DGCDMO COc1ccc(N2CC[C@H](NC[C@@H]([NH3+])CCC(C)(C)C)C2)cc1 ZINC000904376543 619918326 /nfs/dbraw/zinc/91/83/26/619918326.db2.gz BCXOGKRXTIEEDJ-HOTGVXAUSA-N 1 1 319.493 3.017 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1C[NH3+] ZINC000904412067 619920612 /nfs/dbraw/zinc/92/06/12/619920612.db2.gz PDSOAQPCJOPXGZ-VHSXEESVSA-N 1 1 303.233 3.116 20 10 DGCDMO C[C@@H]([NH2+]CCc1cn(C)cn1)c1cccc(C(F)(F)F)c1O ZINC000840764555 620883943 /nfs/dbraw/zinc/88/39/43/620883943.db2.gz VBOLWQRHXOMTES-SNVBAGLBSA-N 1 1 313.323 3.038 20 10 DGCDMO CC(C)c1nnc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)[nH]1 ZINC000921945861 620971568 /nfs/dbraw/zinc/97/15/68/620971568.db2.gz KORJKTKPXHGIQQ-GFCCVEGCSA-N 1 1 300.406 3.104 20 10 DGCDMO CN(C)c1ccc(/C=C\CNCc2cc(N(C)C)cc[nH+]2)cc1 ZINC000922479926 621044259 /nfs/dbraw/zinc/04/42/59/621044259.db2.gz SRXOECQDNQAJOT-WAYWQWQTSA-N 1 1 310.445 3.017 20 10 DGCDMO CCOc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c1O ZINC000922523992 621050768 /nfs/dbraw/zinc/05/07/68/621050768.db2.gz ANUJINWNGPLOGA-PBHICJAKSA-N 1 1 317.360 3.352 20 10 DGCDMO CCCN(CCC)c1ccc(C[NH2+][C@H](C)c2cn(C)nn2)cc1 ZINC000922636926 621071301 /nfs/dbraw/zinc/07/13/01/621071301.db2.gz WHLCFLATJMLZJV-OAHLLOKOSA-N 1 1 315.465 3.292 20 10 DGCDMO CCC[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)OCC ZINC000858450691 621192732 /nfs/dbraw/zinc/19/27/32/621192732.db2.gz HOISJGDTOXDDGY-JSGCOSHPSA-N 1 1 309.406 3.035 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000859796107 621324905 /nfs/dbraw/zinc/32/49/05/621324905.db2.gz DGJCKSHYOAZECD-UHFFFAOYSA-N 1 1 322.456 3.368 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000859796107 621324910 /nfs/dbraw/zinc/32/49/10/621324910.db2.gz DGJCKSHYOAZECD-UHFFFAOYSA-N 1 1 322.456 3.368 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCc1cncs1)C[C@@H]1CCCO1 ZINC000839517336 621381142 /nfs/dbraw/zinc/38/11/42/621381142.db2.gz SIHWCBNWYLVYHF-HNNXBMFYSA-N 1 1 318.442 3.072 20 10 DGCDMO Cc1c[nH+]cn1CC(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000860847457 621449791 /nfs/dbraw/zinc/44/97/91/621449791.db2.gz LQIRWOJDDKCDIQ-UHFFFAOYSA-N 1 1 323.396 3.168 20 10 DGCDMO CC(C)(C)C(=O)CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000753747651 621463039 /nfs/dbraw/zinc/46/30/39/621463039.db2.gz LEKIAJQNHZSEFW-MRXNPFEDSA-N 1 1 319.445 3.379 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]2CN2CCCCC2)c1 ZINC000754731497 621529040 /nfs/dbraw/zinc/52/90/40/621529040.db2.gz GUMSHGBUSFJDFV-GOSISDBHSA-N 1 1 302.462 3.459 20 10 DGCDMO Cc1cc(C)c(O)c(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000754731497 621529042 /nfs/dbraw/zinc/52/90/42/621529042.db2.gz GUMSHGBUSFJDFV-GOSISDBHSA-N 1 1 302.462 3.459 20 10 DGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C)cc(OC)c2O)C1(C)C ZINC000754740987 621529898 /nfs/dbraw/zinc/52/98/98/621529898.db2.gz KDUIFSRJUWFRKM-JKSUJKDBSA-N 1 1 307.434 3.345 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C[C@H]1F ZINC000862302132 621573269 /nfs/dbraw/zinc/57/32/69/621573269.db2.gz XFJZYEUWWDZTCH-BXKDBHETSA-N 1 1 302.187 3.335 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C[C@H]1F ZINC000862302132 621573271 /nfs/dbraw/zinc/57/32/71/621573271.db2.gz XFJZYEUWWDZTCH-BXKDBHETSA-N 1 1 302.187 3.335 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1F ZINC000862353809 621576798 /nfs/dbraw/zinc/57/67/98/621576798.db2.gz AREALQKRLGIMKS-ZDUSSCGKSA-N 1 1 317.383 3.415 20 10 DGCDMO Oc1cccc(Br)c1C[NH+]1CC2(CC(F)C2)C1 ZINC000862388865 621582678 /nfs/dbraw/zinc/58/26/78/621582678.db2.gz ADBDXWWISUSWPR-UHFFFAOYSA-N 1 1 300.171 3.089 20 10 DGCDMO COc1cc(O)c(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1OC ZINC000862445026 621591379 /nfs/dbraw/zinc/59/13/79/621591379.db2.gz ZZHDRXHDFFYINL-PHIMTYICSA-N 1 1 315.360 3.133 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cc(F)cc(F)c1O ZINC000756351118 621630177 /nfs/dbraw/zinc/63/01/77/621630177.db2.gz IXGQVMKBMJNTDE-HZMBPMFUSA-N 1 1 310.344 3.217 20 10 DGCDMO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)c2c1c(F)ccc2O ZINC000756402617 621635524 /nfs/dbraw/zinc/63/55/24/621635524.db2.gz VXDCMCHNEQGYNF-XUJVJEKNSA-N 1 1 304.409 3.154 20 10 DGCDMO COc1cccc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)c1OC ZINC000756422924 621637716 /nfs/dbraw/zinc/63/77/16/621637716.db2.gz OGPWXAVQUQWWOJ-LBPRGKRZSA-N 1 1 319.376 3.442 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCOC2CCCCC2)c1 ZINC000756491595 621641674 /nfs/dbraw/zinc/64/16/74/621641674.db2.gz WIKJQEIASAMBLT-ZDUSSCGKSA-N 1 1 321.417 3.179 20 10 DGCDMO C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756489241 621641678 /nfs/dbraw/zinc/64/16/78/621641678.db2.gz HKVODXIQUGIXAP-LLVKDONJSA-N 1 1 310.388 3.338 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000756625383 621653616 /nfs/dbraw/zinc/65/36/16/621653616.db2.gz KAAFRRRCVLKHEO-GEWABHDNSA-N 1 1 321.417 3.033 20 10 DGCDMO C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1ccc(F)cc1O ZINC000756713184 621659960 /nfs/dbraw/zinc/65/99/60/621659960.db2.gz VWMMOGDFACQNTQ-DCGLDWPTSA-N 1 1 303.377 3.347 20 10 DGCDMO Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)n[nH]1 ZINC000756764332 621662999 /nfs/dbraw/zinc/66/29/99/621662999.db2.gz GGSHYFICUVYOAF-ISTVAULSSA-N 1 1 303.381 3.332 20 10 DGCDMO C[N@@H+](CCCOC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000756784266 621664255 /nfs/dbraw/zinc/66/42/55/621664255.db2.gz SKKXTPRZTVDIQB-UHFFFAOYSA-N 1 1 320.477 3.160 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000839637107 621706285 /nfs/dbraw/zinc/70/62/85/621706285.db2.gz VFVNIJGLKBZPPH-WOJBJXKFSA-N 1 1 310.441 3.451 20 10 DGCDMO C[N@@H+](CCC1CCOCC1)Cc1c(O)ccc2ccncc21 ZINC000757607725 621727829 /nfs/dbraw/zinc/72/78/29/621727829.db2.gz SLDTVOIUEQOMBV-UHFFFAOYSA-N 1 1 300.402 3.189 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000757630480 621729632 /nfs/dbraw/zinc/72/96/32/621729632.db2.gz KRKAZCCBFXREQZ-IAQYHMDHSA-N 1 1 321.417 3.176 20 10 DGCDMO CCC(CC)(C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)C(=O)OC ZINC000760877824 621971315 /nfs/dbraw/zinc/97/13/15/621971315.db2.gz ABUBMTJCQGAWJD-JTQLQIEISA-N 1 1 315.360 3.300 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](OC(F)F)C2)c1O ZINC000761213501 621994875 /nfs/dbraw/zinc/99/48/75/621994875.db2.gz AFHDHQLWCWLJOC-LLVKDONJSA-N 1 1 321.751 3.258 20 10 DGCDMO CCN(CC)c1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000763607976 622154968 /nfs/dbraw/zinc/15/49/68/622154968.db2.gz VDCZXCLNLPSWGR-GOSISDBHSA-N 1 1 303.494 3.449 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCN1CC(F)F ZINC000765718113 622283811 /nfs/dbraw/zinc/28/38/11/622283811.db2.gz WWNITSRGXWPHJG-INIZCTEOSA-N 1 1 324.415 3.042 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)CCN1CC(F)F ZINC000765721057 622283975 /nfs/dbraw/zinc/28/39/75/622283975.db2.gz OCXLOMRXMUCUOD-OAHLLOKOSA-N 1 1 312.404 3.170 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c(O)cc1C ZINC000766115383 622307125 /nfs/dbraw/zinc/30/71/25/622307125.db2.gz FMBLIXRWLFZPOM-NSHDSACASA-N 1 1 303.324 3.484 20 10 DGCDMO COC(=O)c1cc(C[N@@H+](C)Cc2cc(Cl)ccc2O)oc1C ZINC000122424953 622318348 /nfs/dbraw/zinc/31/83/48/622318348.db2.gz PHDOEIHFDJGWNE-UHFFFAOYSA-N 1 1 323.776 3.366 20 10 DGCDMO Cc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)nn1C ZINC000768158243 622442409 /nfs/dbraw/zinc/44/24/09/622442409.db2.gz QLCDHBLGHASYLM-UHFFFAOYSA-N 1 1 300.450 3.205 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)cc1 ZINC000768184963 622443925 /nfs/dbraw/zinc/44/39/25/622443925.db2.gz KHGRCSSUANEPRF-GOSISDBHSA-N 1 1 317.477 3.153 20 10 DGCDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)cccc1OC ZINC000768198520 622445125 /nfs/dbraw/zinc/44/51/25/622445125.db2.gz VCGIABQQMBCFJW-UHFFFAOYSA-N 1 1 315.369 3.152 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](C)CCOc1ccc(F)cc1 ZINC000768211654 622445631 /nfs/dbraw/zinc/44/56/31/622445631.db2.gz ATLIBSRGMNHVGX-UHFFFAOYSA-N 1 1 305.349 3.051 20 10 DGCDMO C[N@@H+](CC(=O)N1CCCC1)Cc1cc(-c2ccccc2)ccc1O ZINC000768214458 622445897 /nfs/dbraw/zinc/44/58/97/622445897.db2.gz ABVZTVKCOAJNIR-UHFFFAOYSA-N 1 1 324.424 3.113 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CCCCC1)[C@H](O)CO2 ZINC000768442516 622455914 /nfs/dbraw/zinc/45/59/14/622455914.db2.gz KWXKAVIJKKJURL-SJLPKXTDSA-N 1 1 317.429 3.363 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768441436 622456058 /nfs/dbraw/zinc/45/60/58/622456058.db2.gz LNUKAKRRNSFNSB-WMZOPIPTSA-N 1 1 311.381 3.155 20 10 DGCDMO Oc1cc2c(cc1CN1CC[C@H](C[NH+]3CCCC3)C1)CCCC2 ZINC000768446962 622457115 /nfs/dbraw/zinc/45/71/15/622457115.db2.gz PRTKPRRZNFRBHA-MRXNPFEDSA-N 1 1 314.473 3.189 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]3COCC[C@H]31)CCCC2 ZINC000768462616 622458015 /nfs/dbraw/zinc/45/80/15/622458015.db2.gz ANSFZJFHZJOIAK-SJLPKXTDSA-N 1 1 301.430 3.272 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCOC3(CCCC3)C1)CCCC2 ZINC000768463622 622458247 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COc1c(C)cnc(C[N@@H+](C)Cc2ccc(C)cc2O)c1C ZINC000877319609 623850823 /nfs/dbraw/zinc/85/08/23/623850823.db2.gz CSXFNFBSKCMSFD-UHFFFAOYSA-N 1 1 300.402 3.353 20 10 DGCDMO C[C@H]1CCCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877408686 623873105 /nfs/dbraw/zinc/87/31/05/623873105.db2.gz QGRKOLMQOMQOBG-INIZCTEOSA-N 1 1 302.462 3.270 20 10 DGCDMO COCCC[N@@H+](Cc1ccncc1)Cc1ccc(C)cc1O ZINC000877525486 623924178 /nfs/dbraw/zinc/92/41/78/623924178.db2.gz FFKCMQYEXCJMRW-UHFFFAOYSA-N 1 1 300.402 3.134 20 10 DGCDMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c(O)c1 ZINC000877589769 623953462 /nfs/dbraw/zinc/95/34/62/623953462.db2.gz RDIIBTHFQUWWSO-FQEVSTJZSA-N 1 1 323.392 3.311 20 10 DGCDMO Oc1ccccc1C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000780781256 623982760 /nfs/dbraw/zinc/98/27/60/623982760.db2.gz IWVZTFDVQZWLBV-UHFFFAOYSA-N 1 1 323.392 3.453 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)Cc2c(C)nn(CC)c2C)c(O)c1 ZINC000877663513 623983014 /nfs/dbraw/zinc/98/30/14/623983014.db2.gz CRYSDZGZVASKHM-UHFFFAOYSA-N 1 1 317.433 3.256 20 10 DGCDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000780791970 623985712 /nfs/dbraw/zinc/98/57/12/623985712.db2.gz DMDWHDPCIYZJJD-KOLCDFICSA-N 1 1 317.307 3.284 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000877672489 623986802 /nfs/dbraw/zinc/98/68/02/623986802.db2.gz FYXOIHWSJXVBEO-WMZOPIPTSA-N 1 1 313.397 3.099 20 10 DGCDMO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877672646 623987158 /nfs/dbraw/zinc/98/71/58/623987158.db2.gz JOWUOEWHJZDJLD-IRXDYDNUSA-N 1 1 301.361 3.229 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877674909 623987755 /nfs/dbraw/zinc/98/77/55/623987755.db2.gz WSABHBQKQNHTOD-WOJBJXKFSA-N 1 1 310.441 3.451 20 10 DGCDMO CN(C)c1ccc(/C=C\CN2CC[N@@H+](C)C(C)(C)CC2)cc1 ZINC000877701153 623996739 /nfs/dbraw/zinc/99/67/39/623996739.db2.gz MGGWCCYVSRYLDL-SREVYHEPSA-N 1 1 301.478 3.182 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000877711054 624001010 /nfs/dbraw/zinc/00/10/10/624001010.db2.gz VOSVWSACWJNJCJ-MEDUHNTESA-N 1 1 313.800 3.480 20 10 DGCDMO COc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877756436 624023357 /nfs/dbraw/zinc/02/33/57/624023357.db2.gz VVKANYVLWZFEHI-LJQANCHMSA-N 1 1 313.397 3.283 20 10 DGCDMO CCc1cccc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)c1O ZINC000877821160 624051121 /nfs/dbraw/zinc/05/11/21/624051121.db2.gz LFEQKDKXLYDYQF-CYBMUJFWSA-N 1 1 303.324 3.108 20 10 DGCDMO Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c(O)c1 ZINC000877820322 624051143 /nfs/dbraw/zinc/05/11/43/624051143.db2.gz HDYSWXFOJDGFGE-RISCZKNCSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000877820070 624051307 /nfs/dbraw/zinc/05/13/07/624051307.db2.gz GDZWTSBHARCXTN-RISCZKNCSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000877825415 624058335 /nfs/dbraw/zinc/05/83/35/624058335.db2.gz ZYEVIMBVCSHARO-AAEUAGOBSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000877825392 624058374 /nfs/dbraw/zinc/05/83/74/624058374.db2.gz ZLCYKFPBEHERSJ-SMDDNHRTSA-N 1 1 303.324 3.242 20 10 DGCDMO CCC[C@](C)(O)C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000781630961 624110214 /nfs/dbraw/zinc/11/02/14/624110214.db2.gz YRXBRXXGQMZTOA-AWEZNQCLSA-N 1 1 316.239 3.104 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@]2(C)CCCOC2)c1 ZINC000781638648 624111929 /nfs/dbraw/zinc/11/19/29/624111929.db2.gz MWVCBMHZZPCQEF-AWEZNQCLSA-N 1 1 314.223 3.122 20 10 DGCDMO Cc1cc(Br)c([O-])c(C[N@H+](C)Cc2cccn2C)c1 ZINC000781913243 624170767 /nfs/dbraw/zinc/17/07/67/624170767.db2.gz RFORGQYLHOQHTL-UHFFFAOYSA-N 1 1 323.234 3.434 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)Cc2cccn2C)c1 ZINC000781913243 624170769 /nfs/dbraw/zinc/17/07/69/624170769.db2.gz RFORGQYLHOQHTL-UHFFFAOYSA-N 1 1 323.234 3.434 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)Cc2cccn2C)c1 ZINC000781913243 624170772 /nfs/dbraw/zinc/17/07/72/624170772.db2.gz RFORGQYLHOQHTL-UHFFFAOYSA-N 1 1 323.234 3.434 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3c(o2)CCCC3)c1 ZINC000878359905 624255506 /nfs/dbraw/zinc/25/55/06/624255506.db2.gz DLABLNSVFBELFU-LLVKDONJSA-N 1 1 302.374 3.118 20 10 DGCDMO C[C@@H]([NH2+]Cc1nccn1CC(F)F)c1ccc(N(C)C)cc1 ZINC000878454997 624282422 /nfs/dbraw/zinc/28/24/22/624282422.db2.gz MKBKHGCDYGTDDV-GFCCVEGCSA-N 1 1 308.376 3.065 20 10 DGCDMO COc1cccc2c1CC[N@H+](Cc1ccc(N(C)C)c(F)c1)C2 ZINC000783595544 624372325 /nfs/dbraw/zinc/37/23/25/624372325.db2.gz SBWZCYXZKHSKCC-UHFFFAOYSA-N 1 1 314.404 3.459 20 10 DGCDMO COc1cccc2c1CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)C2 ZINC000783595544 624372328 /nfs/dbraw/zinc/37/23/28/624372328.db2.gz SBWZCYXZKHSKCC-UHFFFAOYSA-N 1 1 314.404 3.459 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c(O)c1 ZINC000783597389 624373304 /nfs/dbraw/zinc/37/33/04/624373304.db2.gz MOXKDEHUHGHHKC-MRXNPFEDSA-N 1 1 312.413 3.251 20 10 DGCDMO Cc1cscc1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000785520575 624681291 /nfs/dbraw/zinc/68/12/91/624681291.db2.gz ALMLRKKJBJUHLN-UHFFFAOYSA-N 1 1 315.486 3.098 20 10 DGCDMO COc1ncccc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000785658131 624709086 /nfs/dbraw/zinc/70/90/86/624709086.db2.gz JEJDSSPHQSESTM-UHFFFAOYSA-N 1 1 311.429 3.321 20 10 DGCDMO COc1ncccc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000785658131 624709091 /nfs/dbraw/zinc/70/90/91/624709091.db2.gz JEJDSSPHQSESTM-UHFFFAOYSA-N 1 1 311.429 3.321 20 10 DGCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)[C@@H]1C ZINC000787244147 624991569 /nfs/dbraw/zinc/99/15/69/624991569.db2.gz MNSXTHHSNBPRRV-UKRRQHHQSA-N 1 1 319.445 3.382 20 10 DGCDMO COCC[N@@H+](Cc1scnc1C)Cc1cc(C)ccc1O ZINC000787308996 624999563 /nfs/dbraw/zinc/99/95/63/624999563.db2.gz HANBTOPCSHBTBQ-UHFFFAOYSA-N 1 1 306.431 3.114 20 10 DGCDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1C ZINC000787421492 625008493 /nfs/dbraw/zinc/00/84/93/625008493.db2.gz SGNGOPDWTUHEML-QAPCUYQASA-N 1 1 316.445 3.060 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000790948618 625721167 /nfs/dbraw/zinc/72/11/67/625721167.db2.gz CCAHGVRWYYXLCR-NSHDSACASA-N 1 1 307.752 3.278 20 10 DGCDMO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790962817 625723090 /nfs/dbraw/zinc/72/30/90/625723090.db2.gz TUHHDDMPBHHUBO-LBPRGKRZSA-N 1 1 322.767 3.453 20 10 DGCDMO Cc1ccccc1[C@@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790970159 625726168 /nfs/dbraw/zinc/72/61/68/625726168.db2.gz BDDMSKLJCGAMBR-CQSZACIVSA-N 1 1 309.768 3.316 20 10 DGCDMO CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1cccc(F)c1 ZINC000882878129 625841610 /nfs/dbraw/zinc/84/16/10/625841610.db2.gz RCTLSZTVSDNVDJ-INIZCTEOSA-N 1 1 324.346 3.202 20 10 DGCDMO COc1ccc(CC[NH2+]Cc2cc(F)cc(F)c2O)c(OC)c1 ZINC000882942717 625867821 /nfs/dbraw/zinc/86/78/21/625867821.db2.gz NCFACQXCILZQGA-UHFFFAOYSA-N 1 1 323.339 3.020 20 10 DGCDMO COc1ccccc1O[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883019790 625900423 /nfs/dbraw/zinc/90/04/23/625900423.db2.gz CSDCGNASFKUHKL-LLVKDONJSA-N 1 1 323.339 3.236 20 10 DGCDMO Oc1ccc(Cl)c(F)c1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000792167291 625918685 /nfs/dbraw/zinc/91/86/85/625918685.db2.gz KJNIBSLMHXWTCM-LBPRGKRZSA-N 1 1 312.816 3.245 20 10 DGCDMO CC(C)(C)OC(=O)CCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000883082634 625920573 /nfs/dbraw/zinc/92/05/73/625920573.db2.gz MKICBGFEOPQNGE-UHFFFAOYSA-N 1 1 315.360 3.272 20 10 DGCDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792180740 625921256 /nfs/dbraw/zinc/92/12/56/625921256.db2.gz STIBFZZSQQDHII-GIPNMCIBSA-N 1 1 301.789 3.166 20 10 DGCDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792180740 625921258 /nfs/dbraw/zinc/92/12/58/625921258.db2.gz STIBFZZSQQDHII-GIPNMCIBSA-N 1 1 301.789 3.166 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(F)cc1O ZINC000796665700 626071281 /nfs/dbraw/zinc/07/12/81/626071281.db2.gz KONHLIJPNJECLI-UKRRQHHQSA-N 1 1 317.360 3.412 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(F)cc1O ZINC000796680636 626072913 /nfs/dbraw/zinc/07/29/13/626072913.db2.gz XJZHWQYZCNCHJB-RHSMWYFYSA-N 1 1 319.376 3.012 20 10 DGCDMO CC[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(F)cc1O ZINC000796781043 626081714 /nfs/dbraw/zinc/08/17/14/626081714.db2.gz UMSNEMUVUNFOBU-XJKSGUPXSA-N 1 1 311.397 3.015 20 10 DGCDMO CC[C@H]([NH2+]CCNc1cccc(C)n1)c1ccc(F)cc1O ZINC000796837555 626088711 /nfs/dbraw/zinc/08/87/11/626088711.db2.gz DIONQGSMUDDYGX-HNNXBMFYSA-N 1 1 303.381 3.388 20 10 DGCDMO CC[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(F)cc1O ZINC000796841348 626089094 /nfs/dbraw/zinc/08/90/94/626089094.db2.gz SDYRSYRVOVXJRB-PKOBYXMFSA-N 1 1 315.388 3.406 20 10 DGCDMO CC1=C(Br)C[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000797604809 626159327 /nfs/dbraw/zinc/15/93/27/626159327.db2.gz CVNOSFQRWLETHB-UHFFFAOYSA-N 1 1 300.171 3.406 20 10 DGCDMO CC1=C(Br)C[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000797604809 626159330 /nfs/dbraw/zinc/15/93/30/626159330.db2.gz CVNOSFQRWLETHB-UHFFFAOYSA-N 1 1 300.171 3.406 20 10 DGCDMO COc1cccc(O)c1C[N@@H+]1CCC(C)=C(Br)C1 ZINC000797605879 626159376 /nfs/dbraw/zinc/15/93/76/626159376.db2.gz WURZMXDXJBHEPD-UHFFFAOYSA-N 1 1 312.207 3.275 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCC(C)=C(Br)C1 ZINC000797605879 626159378 /nfs/dbraw/zinc/15/93/78/626159378.db2.gz WURZMXDXJBHEPD-UHFFFAOYSA-N 1 1 312.207 3.275 20 10 DGCDMO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc(N2CCCCC2)cc1 ZINC000798954794 626262697 /nfs/dbraw/zinc/26/26/97/626262697.db2.gz DEXVNNDSRZFPJR-MRXNPFEDSA-N 1 1 318.461 3.450 20 10 DGCDMO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc(N2CCCCC2)cc1 ZINC000798954794 626262699 /nfs/dbraw/zinc/26/26/99/626262699.db2.gz DEXVNNDSRZFPJR-MRXNPFEDSA-N 1 1 318.461 3.450 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@H]2c2ccnn2C)c1O ZINC000799148610 626275570 /nfs/dbraw/zinc/27/55/70/626275570.db2.gz DFUAEMFNIQIZJN-INIZCTEOSA-N 1 1 315.417 3.170 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCOc2cccc(F)c2C1 ZINC000800854746 626379649 /nfs/dbraw/zinc/37/96/49/626379649.db2.gz AQTANBNHVJIYLL-UHFFFAOYSA-N 1 1 324.355 3.474 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nc(COC)no1 ZINC000801599211 626411603 /nfs/dbraw/zinc/41/16/03/626411603.db2.gz FNGQENGBFNUYIH-ZDUSSCGKSA-N 1 1 319.405 3.285 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nc(COC)no1 ZINC000801599211 626411605 /nfs/dbraw/zinc/41/16/05/626411605.db2.gz FNGQENGBFNUYIH-ZDUSSCGKSA-N 1 1 319.405 3.285 20 10 DGCDMO CCCC[N@@H+](CCC(=O)N1CCC[C@@H]1C)Cc1ccccc1O ZINC000801598378 626411820 /nfs/dbraw/zinc/41/18/20/626411820.db2.gz YMGAEVVRTFLLSC-INIZCTEOSA-N 1 1 318.461 3.395 20 10 DGCDMO COc1ccc2c(c1)OCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000802658959 626565974 /nfs/dbraw/zinc/56/59/74/626565974.db2.gz BBFHFDMRCVHTIH-UHFFFAOYSA-N 1 1 319.788 3.449 20 10 DGCDMO C[NH+](C)C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000802679837 626566378 /nfs/dbraw/zinc/56/63/78/626566378.db2.gz QXAOAMKZYJMEJJ-CYBMUJFWSA-N 1 1 324.833 3.140 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(F)cc1O ZINC000883276740 626633680 /nfs/dbraw/zinc/63/36/80/626633680.db2.gz OXYSJWBSXBJEMU-BBRMVZONSA-N 1 1 307.365 3.016 20 10 DGCDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000883570009 626706647 /nfs/dbraw/zinc/70/66/47/626706647.db2.gz QMZVLMAKTLJLLD-OAHLLOKOSA-N 1 1 324.428 3.180 20 10 DGCDMO C[C@@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000807274343 626752921 /nfs/dbraw/zinc/75/29/21/626752921.db2.gz OIUZLYVYKQEVPK-QAPCUYQASA-N 1 1 317.477 3.194 20 10 DGCDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@@H](O)c1ccccc1 ZINC000808444725 626825409 /nfs/dbraw/zinc/82/54/09/626825409.db2.gz JUOSUVGWJJIVJB-QLJPJBMISA-N 1 1 309.768 3.396 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000808793068 626861521 /nfs/dbraw/zinc/86/15/21/626861521.db2.gz WWZFELBAAQDNNL-UHFFFAOYSA-N 1 1 310.397 3.126 20 10 DGCDMO CC[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2)C[C@@H](C)[S@@]1=O ZINC000809700622 626938940 /nfs/dbraw/zinc/93/89/40/626938940.db2.gz KRHNUBSMTWAHBF-LDJQZATESA-N 1 1 322.518 3.264 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2)C[C@@H](C)[S@@]1=O ZINC000809700622 626938943 /nfs/dbraw/zinc/93/89/43/626938943.db2.gz KRHNUBSMTWAHBF-LDJQZATESA-N 1 1 322.518 3.264 20 10 DGCDMO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C)ccc1O ZINC000809726202 626941967 /nfs/dbraw/zinc/94/19/67/626941967.db2.gz LERQYQPDGMBJJF-MRXNPFEDSA-N 1 1 320.433 3.191 20 10 DGCDMO CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809749147 626946300 /nfs/dbraw/zinc/94/63/00/626946300.db2.gz CBMUMHBUYQNEGY-UHFFFAOYSA-N 1 1 314.832 3.493 20 10 DGCDMO Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809752491 626946794 /nfs/dbraw/zinc/94/67/94/626946794.db2.gz DZZNSEMXQWYQNJ-UHFFFAOYSA-N 1 1 311.788 3.212 20 10 DGCDMO Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809752491 626946795 /nfs/dbraw/zinc/94/67/95/626946795.db2.gz DZZNSEMXQWYQNJ-UHFFFAOYSA-N 1 1 311.788 3.212 20 10 DGCDMO CCCn1ccnc1CCC[N@@H+](C)Cc1cc(OC)ccc1O ZINC000809754768 626947319 /nfs/dbraw/zinc/94/73/19/626947319.db2.gz AOIWREMUUVUDJN-UHFFFAOYSA-N 1 1 317.433 3.072 20 10 DGCDMO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809768606 626949838 /nfs/dbraw/zinc/94/98/38/626949838.db2.gz QCIQLRMUEAZOCL-SJLPKXTDSA-N 1 1 301.478 3.201 20 10 DGCDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809768606 626949840 /nfs/dbraw/zinc/94/98/40/626949840.db2.gz QCIQLRMUEAZOCL-SJLPKXTDSA-N 1 1 301.478 3.201 20 10 DGCDMO CC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(Cl)ccc1O ZINC000810254765 626992985 /nfs/dbraw/zinc/99/29/85/626992985.db2.gz RATAAMQJJXUWJW-DGCLKSJQSA-N 1 1 305.809 3.367 20 10 DGCDMO COCCOc1ccccc1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886508688 627154700 /nfs/dbraw/zinc/15/47/00/627154700.db2.gz KWDGXNDQSIGYDR-ZDUSSCGKSA-N 1 1 319.376 3.407 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1c(O)cccc1F ZINC000886513087 627155634 /nfs/dbraw/zinc/15/56/34/627155634.db2.gz SZKVYMZGBJYEDG-CHWSQXEVSA-N 1 1 301.361 3.433 20 10 DGCDMO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1c(O)cccc1F ZINC000886522372 627156492 /nfs/dbraw/zinc/15/64/92/627156492.db2.gz HWTJXSLPSYJTFL-NSHDSACASA-N 1 1 304.321 3.333 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1F ZINC000886526374 627157450 /nfs/dbraw/zinc/15/74/50/627157450.db2.gz LHOPDKCAWGOSDP-VXGBXAGGSA-N 1 1 324.396 3.191 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1c(O)cccc1F ZINC000886550437 627161409 /nfs/dbraw/zinc/16/14/09/627161409.db2.gz ZTVASUZNRBXMMG-YMTOWFKASA-N 1 1 311.303 3.194 20 10 DGCDMO C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1c(O)cccc1F ZINC000886556725 627162427 /nfs/dbraw/zinc/16/24/27/627162427.db2.gz JAMMURQHAOBKMI-LRDDRELGSA-N 1 1 300.377 3.369 20 10 DGCDMO C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1c(O)cccc1F ZINC000886594077 627169307 /nfs/dbraw/zinc/16/93/07/627169307.db2.gz FRXQXWLICOLHKX-SCLBCKFNSA-N 1 1 303.377 3.480 20 10 DGCDMO C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1c(O)cccc1F ZINC000886594657 627169921 /nfs/dbraw/zinc/16/99/21/627169921.db2.gz REHCHZNFCMXBCX-LBPRGKRZSA-N 1 1 313.376 3.311 20 10 DGCDMO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1c(O)cccc1F ZINC000886601172 627171034 /nfs/dbraw/zinc/17/10/34/627171034.db2.gz LQYCBMATDYOJPJ-MRVPVSSYSA-N 1 1 313.266 3.099 20 10 DGCDMO C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1c(O)cccc1F ZINC000886605823 627171495 /nfs/dbraw/zinc/17/14/95/627171495.db2.gz ZHTPETGLJNJTMJ-NSHDSACASA-N 1 1 321.421 3.307 20 10 DGCDMO Cc1cccc2nc(CC[NH2+][C@H](C)c3c(O)cccc3F)cn21 ZINC000886631279 627177379 /nfs/dbraw/zinc/17/73/79/627177379.db2.gz IWIDIQLHRWCJAC-CYBMUJFWSA-N 1 1 313.376 3.381 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1c([O-])cccc1F ZINC000886639839 627178614 /nfs/dbraw/zinc/17/86/14/627178614.db2.gz MRBKWGMSHOAFDY-DZGCQCFKSA-N 1 1 306.425 3.304 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1c(O)cccc1F ZINC000886643282 627178945 /nfs/dbraw/zinc/17/89/45/627178945.db2.gz QBSVWYRPXGFAMX-ABAIWWIYSA-N 1 1 314.360 3.009 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1c(O)cccc1F ZINC000886649562 627180437 /nfs/dbraw/zinc/18/04/37/627180437.db2.gz DGLLMXJUWKJAGF-UONOGXRCSA-N 1 1 323.408 3.158 20 10 DGCDMO CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCOC1)c1ccc(F)cc1O ZINC000886789249 627204529 /nfs/dbraw/zinc/20/45/29/627204529.db2.gz QUKONBFQMWHEES-UHOFOFEASA-N 1 1 311.397 3.014 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(O)c1 ZINC000811510345 627285537 /nfs/dbraw/zinc/28/55/37/627285537.db2.gz CWLZGXJRXRSPDZ-DLBZAZTESA-N 1 1 305.418 3.180 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(O)c1 ZINC000811518813 627287320 /nfs/dbraw/zinc/28/73/20/627287320.db2.gz PEXSFYIWAVMKQO-ROUUACIJSA-N 1 1 317.429 3.324 20 10 DGCDMO CC1(C)C[N@@H+](Cc2c(O)ccc3ccncc32)[C@H]1[C@@H]1CCCO1 ZINC000811776216 627319700 /nfs/dbraw/zinc/31/97/00/627319700.db2.gz LHYWBKQGNGBFRA-ROUUACIJSA-N 1 1 312.413 3.330 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000811803030 627322616 /nfs/dbraw/zinc/32/26/16/627322616.db2.gz GRJQAYUEYBBFSC-HNNXBMFYSA-N 1 1 305.809 3.306 20 10 DGCDMO Oc1ccc(CCNc2cc[nH+]c3ccc(Cl)cc23)cc1O ZINC000811811436 627324414 /nfs/dbraw/zinc/32/44/14/627324414.db2.gz UPOKUKPYYHWSMZ-UHFFFAOYSA-N 1 1 314.772 3.376 20 10 DGCDMO CC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)C[C@H](C)OC ZINC000812303312 627369245 /nfs/dbraw/zinc/36/92/45/627369245.db2.gz OKPCTQYYKOTSTF-ZDUSSCGKSA-N 1 1 303.402 3.411 20 10 DGCDMO CC[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(F)cc1O ZINC000812736983 627414629 /nfs/dbraw/zinc/41/46/29/627414629.db2.gz LCIFVONUAUOOFL-HNNXBMFYSA-N 1 1 317.408 3.385 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](O)C2(C)C)c(C(F)(F)F)c1 ZINC000812778387 627419127 /nfs/dbraw/zinc/41/91/27/627419127.db2.gz KAKMSFLUQZGMNO-AWEZNQCLSA-N 1 1 316.367 3.117 20 10 DGCDMO CCN1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](C)[C@@H]3C)cc2F)CC1 ZINC000813858591 627516760 /nfs/dbraw/zinc/51/67/60/627516760.db2.gz ASTNSTOIYXMANF-RVKKMQEKSA-N 1 1 319.468 3.102 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CC(C)(C)OC1=O ZINC000814180023 627547891 /nfs/dbraw/zinc/54/78/91/627547891.db2.gz MGIITYYXQDDLCH-KRWDZBQOSA-N 1 1 316.445 3.203 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CC(C)(C)OC1=O ZINC000814180023 627547893 /nfs/dbraw/zinc/54/78/93/627547893.db2.gz MGIITYYXQDDLCH-KRWDZBQOSA-N 1 1 316.445 3.203 20 10 DGCDMO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815057583 627620834 /nfs/dbraw/zinc/62/08/34/627620834.db2.gz UWKHDVOAGLHFAI-SFHVURJKSA-N 1 1 303.494 3.225 20 10 DGCDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815057583 627620835 /nfs/dbraw/zinc/62/08/35/627620835.db2.gz UWKHDVOAGLHFAI-SFHVURJKSA-N 1 1 303.494 3.225 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc1N(C)C ZINC000815074235 627623145 /nfs/dbraw/zinc/62/31/45/627623145.db2.gz MVFNTLLAMBDPJY-MSOLQXFVSA-N 1 1 302.462 3.310 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)ccc1N(C)C ZINC000815095080 627626272 /nfs/dbraw/zinc/62/62/72/627626272.db2.gz LXMUQWFQIYUKNH-GOSISDBHSA-N 1 1 302.462 3.452 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)cc1 ZINC000815117734 627629037 /nfs/dbraw/zinc/62/90/37/627629037.db2.gz UIXUJYVWIMNSDV-INIZCTEOSA-N 1 1 300.406 3.171 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2c2nc(C)no2)cc1 ZINC000815117734 627629040 /nfs/dbraw/zinc/62/90/40/627629040.db2.gz UIXUJYVWIMNSDV-INIZCTEOSA-N 1 1 300.406 3.171 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@H](N3CCCC3)C[C@H]2C)ccc1N(C)C ZINC000815118520 627630120 /nfs/dbraw/zinc/63/01/20/627630120.db2.gz WLGSIQPCIATWAS-SJLPKXTDSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(C[N@@H+]2C[C@H](N3CCCC3)C[C@H]2C)ccc1N(C)C ZINC000815118520 627630123 /nfs/dbraw/zinc/63/01/23/627630123.db2.gz WLGSIQPCIATWAS-SJLPKXTDSA-N 1 1 301.478 3.120 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)cc1 ZINC000815232210 627648325 /nfs/dbraw/zinc/64/83/25/627648325.db2.gz TXNQZNSPNCJMPZ-LJQANCHMSA-N 1 1 304.478 3.373 20 10 DGCDMO C[C@@H]([NH2+]CC1(O)CCCC1)c1cccc(C(F)(F)F)c1O ZINC000815579573 627686841 /nfs/dbraw/zinc/68/68/41/627686841.db2.gz QFLJSKWGPXWMLW-SNVBAGLBSA-N 1 1 303.324 3.367 20 10 DGCDMO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815584150 627687591 /nfs/dbraw/zinc/68/75/91/627687591.db2.gz WUEMOLCHDAJOLT-GXFFZTMASA-N 1 1 305.340 3.469 20 10 DGCDMO C[C@H]([NH2+][C@H](CCO)C1CC1)c1cccc(C(F)(F)F)c1O ZINC000815594762 627688896 /nfs/dbraw/zinc/68/88/96/627688896.db2.gz XMWNUPAIEKBQCQ-TVQRCGJNSA-N 1 1 303.324 3.223 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cccc(C(F)(F)F)c1O ZINC000815621571 627691556 /nfs/dbraw/zinc/69/15/56/627691556.db2.gz XPAPSGYRVDIIBG-KWBADKCTSA-N 1 1 303.324 3.487 20 10 DGCDMO CCC[N@H+](CC(=O)OCC)Cc1ccc2ccccc2c1O ZINC000816494806 627797030 /nfs/dbraw/zinc/79/70/30/627797030.db2.gz ADXHSDVQCOKEAY-UHFFFAOYSA-N 1 1 301.386 3.321 20 10 DGCDMO CCC[N@@H+](CC(=O)OCC)Cc1ccc2ccccc2c1O ZINC000816494806 627797031 /nfs/dbraw/zinc/79/70/31/627797031.db2.gz ADXHSDVQCOKEAY-UHFFFAOYSA-N 1 1 301.386 3.321 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000816516879 627800233 /nfs/dbraw/zinc/80/02/33/627800233.db2.gz UYXVDZDTLGLHRN-LBPRGKRZSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000816516879 627800237 /nfs/dbraw/zinc/80/02/37/627800237.db2.gz UYXVDZDTLGLHRN-LBPRGKRZSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000816516878 627800321 /nfs/dbraw/zinc/80/03/21/627800321.db2.gz UYXVDZDTLGLHRN-GFCCVEGCSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000816516878 627800322 /nfs/dbraw/zinc/80/03/22/627800322.db2.gz UYXVDZDTLGLHRN-GFCCVEGCSA-N 1 1 313.800 3.433 20 10 DGCDMO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816517468 627801186 /nfs/dbraw/zinc/80/11/86/627801186.db2.gz QQIYJLFFMMZLKC-MRXNPFEDSA-N 1 1 308.385 3.011 20 10 DGCDMO [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000816521121 627801424 /nfs/dbraw/zinc/80/14/24/627801424.db2.gz HQRBEIMHAWYDPV-VXGBXAGGSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000816521121 627801428 /nfs/dbraw/zinc/80/14/28/627801428.db2.gz HQRBEIMHAWYDPV-VXGBXAGGSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000816521121 627801431 /nfs/dbraw/zinc/80/14/31/627801431.db2.gz HQRBEIMHAWYDPV-VXGBXAGGSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000816532871 627803004 /nfs/dbraw/zinc/80/30/04/627803004.db2.gz YWNSYXZPILQSNH-GFCCVEGCSA-N 1 1 307.752 3.278 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCOc1ccc(F)cc1 ZINC000816532898 627803242 /nfs/dbraw/zinc/80/32/42/627803242.db2.gz ZXPCTUZIWXNHQW-UHFFFAOYSA-N 1 1 313.731 3.492 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000816530925 627803483 /nfs/dbraw/zinc/80/34/83/627803483.db2.gz AIFXARGTBKNNND-LLVKDONJSA-N 1 1 323.751 3.114 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cccc2c1OCO2 ZINC000816537612 627804397 /nfs/dbraw/zinc/80/43/97/627804397.db2.gz LAYKKWDWISCUNJ-UHFFFAOYSA-N 1 1 309.724 3.203 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000816537878 627804456 /nfs/dbraw/zinc/80/44/56/627804456.db2.gz WWEIIIFAROOLGQ-OAHLLOKOSA-N 1 1 313.731 3.147 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)C1CCCCC1 ZINC000816546277 627804872 /nfs/dbraw/zinc/80/48/72/627804872.db2.gz DUUYLRWMAAHFRG-HNNXBMFYSA-N 1 1 301.789 3.216 20 10 DGCDMO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816552762 627806822 /nfs/dbraw/zinc/80/68/22/627806822.db2.gz VLMARLXLEBJHLC-OAHLLOKOSA-N 1 1 303.805 3.462 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000816559183 627807394 /nfs/dbraw/zinc/80/73/94/627807394.db2.gz AWILNVYBFFYTPJ-COLVAYQJSA-N 1 1 311.784 3.232 20 10 DGCDMO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816559225 627807583 /nfs/dbraw/zinc/80/75/83/627807583.db2.gz BVZBXCNOHOXTTC-XPTSAGLGSA-N 1 1 313.756 3.380 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000816568463 627809551 /nfs/dbraw/zinc/80/95/51/627809551.db2.gz HNDQJYCDDULVJC-AWEZNQCLSA-N 1 1 323.795 3.268 20 10 DGCDMO CC(C)OC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816571832 627810158 /nfs/dbraw/zinc/81/01/58/627810158.db2.gz RRLKLKMPBRGECP-QGZVFWFLSA-N 1 1 315.413 3.171 20 10 DGCDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816587770 627811507 /nfs/dbraw/zinc/81/15/07/627811507.db2.gz VXGKGHUKQBSKSJ-ISTVAULSSA-N 1 1 301.789 3.166 20 10 DGCDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816587770 627811510 /nfs/dbraw/zinc/81/15/10/627811510.db2.gz VXGKGHUKQBSKSJ-ISTVAULSSA-N 1 1 301.789 3.166 20 10 DGCDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816587770 627811513 /nfs/dbraw/zinc/81/15/13/627811513.db2.gz VXGKGHUKQBSKSJ-ISTVAULSSA-N 1 1 301.789 3.166 20 10 DGCDMO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816593408 627812294 /nfs/dbraw/zinc/81/22/94/627812294.db2.gz QTVZEZNNFKXJNP-LLVKDONJSA-N 1 1 323.799 3.298 20 10 DGCDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816593408 627812296 /nfs/dbraw/zinc/81/22/96/627812296.db2.gz QTVZEZNNFKXJNP-LLVKDONJSA-N 1 1 323.799 3.298 20 10 DGCDMO CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816610374 627814449 /nfs/dbraw/zinc/81/44/49/627814449.db2.gz IMOVWLNFWMDZOU-NSHDSACASA-N 1 1 300.805 3.005 20 10 DGCDMO Cc1cccc(C[NH2+][C@H](C)c2ncc(Br)cn2)c1O ZINC000816627697 627816152 /nfs/dbraw/zinc/81/61/52/627816152.db2.gz URKHTBGKWLAOCO-SNVBAGLBSA-N 1 1 322.206 3.104 20 10 DGCDMO C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)Cc1ccccc1 ZINC000816624587 627816178 /nfs/dbraw/zinc/81/61/78/627816178.db2.gz AFJRTBLENVQVHG-MRXNPFEDSA-N 1 1 305.805 3.081 20 10 DGCDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1O ZINC000817412426 627895808 /nfs/dbraw/zinc/89/58/08/627895808.db2.gz KYLFNLAHHLOWRH-DZGCQCFKSA-N 1 1 305.418 3.334 20 10 DGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC[N@H+]1C ZINC000817417371 627897251 /nfs/dbraw/zinc/89/72/51/627897251.db2.gz KVKBESRJLVMQBL-IBGZPJMESA-N 1 1 301.478 3.203 20 10 DGCDMO CN1CCC[C@H]1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000817417371 627897255 /nfs/dbraw/zinc/89/72/55/627897255.db2.gz KVKBESRJLVMQBL-IBGZPJMESA-N 1 1 301.478 3.203 20 10 DGCDMO CN1CCC[C@H]1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000817417371 627897261 /nfs/dbraw/zinc/89/72/61/627897261.db2.gz KVKBESRJLVMQBL-IBGZPJMESA-N 1 1 301.478 3.203 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](CCO)CC2)cc1 ZINC000817419645 627897764 /nfs/dbraw/zinc/89/77/64/627897764.db2.gz VQKXQLINIAYUAE-YWPBOTNQSA-N 1 1 302.462 3.250 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CCO)CC2)c1O ZINC000817418646 627897894 /nfs/dbraw/zinc/89/78/94/627897894.db2.gz AQGAEDGLVCKFIY-LBPRGKRZSA-N 1 1 313.825 3.039 20 10 DGCDMO OCC[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000817418788 627898065 /nfs/dbraw/zinc/89/80/65/627898065.db2.gz GMAJLIIUWYJBNW-LLVKDONJSA-N 1 1 301.789 3.169 20 10 DGCDMO OCC[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000817418788 627898069 /nfs/dbraw/zinc/89/80/69/627898069.db2.gz GMAJLIIUWYJBNW-LLVKDONJSA-N 1 1 301.789 3.169 20 10 DGCDMO Cc1cc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)c(C)n1-c1ccccc1 ZINC000926765517 627949519 /nfs/dbraw/zinc/94/95/19/627949519.db2.gz WXCBZVQBQDFYBW-KSSFIOAISA-N 1 1 321.428 3.481 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1[O-] ZINC000817880392 627952805 /nfs/dbraw/zinc/95/28/05/627952805.db2.gz RNAHNRIXWXZKJN-MJVIPROJSA-N 1 1 324.852 3.053 20 10 DGCDMO COc1ccsc1[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817943863 627969802 /nfs/dbraw/zinc/96/98/02/627969802.db2.gz WEHKLBRCWVTNDS-DOMZBBRYSA-N 1 1 319.474 3.173 20 10 DGCDMO CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817945798 627970477 /nfs/dbraw/zinc/97/04/77/627970477.db2.gz MIFOOHYKRPMRNM-FZMZJTMJSA-N 1 1 316.367 3.451 20 10 DGCDMO N[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)C1CC1 ZINC000817965337 627977858 /nfs/dbraw/zinc/97/78/58/627977858.db2.gz OQWWYBPTDNICTF-RTBURBONSA-N 1 1 310.441 3.393 20 10 DGCDMO N[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)C1CC1 ZINC000817965334 627977898 /nfs/dbraw/zinc/97/78/98/627977898.db2.gz OQWWYBPTDNICTF-MOPGFXCFSA-N 1 1 310.441 3.393 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cc(Br)ccc1[O-] ZINC000817969933 627978974 /nfs/dbraw/zinc/97/89/74/627978974.db2.gz IIRDXIYOESZZKS-MVWJERBFSA-N 1 1 313.239 3.075 20 10 DGCDMO C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2c1c(F)ccc2[O-] ZINC000817974812 627981039 /nfs/dbraw/zinc/98/10/39/627981039.db2.gz FRZJFALGFNGZEX-BHPKHCPMSA-N 1 1 306.425 3.434 20 10 DGCDMO CC[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1O ZINC000817979777 627981284 /nfs/dbraw/zinc/98/12/84/627981284.db2.gz FDNSNBMUPKRNKY-RYUDHWBXSA-N 1 1 304.768 3.084 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCS[C@@H](C)C2)c1 ZINC000927032410 628000227 /nfs/dbraw/zinc/00/02/27/628000227.db2.gz MZKIGKDHMQUKIG-GMXVVIOVSA-N 1 1 309.431 3.114 20 10 DGCDMO C[N@@H+](C[C@@H](O)CNc1ccc(Nc2ccccc2)cc1)C1CC1 ZINC000819396194 628147342 /nfs/dbraw/zinc/14/73/42/628147342.db2.gz ZLASPRKAKDYGJY-IBGZPJMESA-N 1 1 311.429 3.297 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H]1CCN(C(C)(C)C)C1=O ZINC000822653833 628475599 /nfs/dbraw/zinc/47/55/99/628475599.db2.gz CUCKRKXIJVWIRF-HNNXBMFYSA-N 1 1 304.434 3.004 20 10 DGCDMO CCn1nc(C)c(C[N@@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000823448067 628563733 /nfs/dbraw/zinc/56/37/33/628563733.db2.gz SSRDQBHGJGLMNX-UHFFFAOYSA-N 1 1 314.433 3.257 20 10 DGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@](C)(O)C2)cc1 ZINC000823476967 628566500 /nfs/dbraw/zinc/56/65/00/628566500.db2.gz FURDMUPEKGGILU-SFHVURJKSA-N 1 1 316.470 3.341 20 10 DGCDMO C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[N@@H+](C2CC2)C1 ZINC000824445613 628661589 /nfs/dbraw/zinc/66/15/89/628661589.db2.gz HNYDUCDEDMTPQX-LLVKDONJSA-N 1 1 312.816 3.101 20 10 DGCDMO C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[N@H+](C2CC2)C1 ZINC000824445613 628661590 /nfs/dbraw/zinc/66/15/90/628661590.db2.gz HNYDUCDEDMTPQX-LLVKDONJSA-N 1 1 312.816 3.101 20 10 DGCDMO CCCn1nccc1C[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000824484427 628664920 /nfs/dbraw/zinc/66/49/20/628664920.db2.gz GTDPJKZXZQRWFI-UHFFFAOYSA-N 1 1 300.450 3.381 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](Cc2cnn3c2CCC3)C2CC2)cc1 ZINC000824555338 628670747 /nfs/dbraw/zinc/67/07/47/628670747.db2.gz FNQSGYJHEFFWJY-UHFFFAOYSA-N 1 1 310.445 3.060 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000824691195 628683821 /nfs/dbraw/zinc/68/38/21/628683821.db2.gz XZLLBMDRWZUSDL-HNNXBMFYSA-N 1 1 321.804 3.220 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1F ZINC000824715102 628686578 /nfs/dbraw/zinc/68/65/78/628686578.db2.gz HQNLEOBRZORQCM-YXJHDRRASA-N 1 1 306.425 3.017 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C34CCC(CC3)CC4)cc2)CC1 ZINC000824935670 628708736 /nfs/dbraw/zinc/70/87/36/628708736.db2.gz LCPOYCGAKKKDJF-UHFFFAOYSA-N 1 1 313.489 3.251 20 10 DGCDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)[nH]1 ZINC000824933891 628708950 /nfs/dbraw/zinc/70/89/50/628708950.db2.gz KIGOKKOSJGADTM-GFCCVEGCSA-N 1 1 320.824 3.160 20 10 DGCDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC000824933891 628708954 /nfs/dbraw/zinc/70/89/54/628708954.db2.gz KIGOKKOSJGADTM-GFCCVEGCSA-N 1 1 320.824 3.160 20 10 DGCDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC000824933891 628708957 /nfs/dbraw/zinc/70/89/57/628708957.db2.gz KIGOKKOSJGADTM-GFCCVEGCSA-N 1 1 320.824 3.160 20 10 DGCDMO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)n[nH]1 ZINC000824933891 628708958 /nfs/dbraw/zinc/70/89/58/628708958.db2.gz KIGOKKOSJGADTM-GFCCVEGCSA-N 1 1 320.824 3.160 20 10 DGCDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)n[nH]1 ZINC000824933891 628708962 /nfs/dbraw/zinc/70/89/62/628708962.db2.gz KIGOKKOSJGADTM-GFCCVEGCSA-N 1 1 320.824 3.160 20 10 DGCDMO CCOCc1cc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)ccc1OC ZINC000825016715 628716444 /nfs/dbraw/zinc/71/64/44/628716444.db2.gz GOADLZWJXKLTIU-CZUORRHYSA-N 1 1 315.417 3.224 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)c1O ZINC000825025190 628717326 /nfs/dbraw/zinc/71/73/26/628717326.db2.gz ZJQKTGSQEBFDCD-FQEVSTJZSA-N 1 1 315.866 3.087 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)c1O ZINC000825025190 628717328 /nfs/dbraw/zinc/71/73/28/628717328.db2.gz ZJQKTGSQEBFDCD-FQEVSTJZSA-N 1 1 315.866 3.087 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)cc1 ZINC000825025188 628717330 /nfs/dbraw/zinc/71/73/30/628717330.db2.gz ZIIKSJBSXCYEJP-QFIPXVFZSA-N 1 1 322.518 3.266 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)cc1 ZINC000825025188 628717331 /nfs/dbraw/zinc/71/73/31/628717331.db2.gz ZIIKSJBSXCYEJP-QFIPXVFZSA-N 1 1 322.518 3.266 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c1O ZINC000825104258 628728295 /nfs/dbraw/zinc/72/82/95/628728295.db2.gz SCXGJLZVQBKGLU-JKSUJKDBSA-N 1 1 305.418 3.180 20 10 DGCDMO CC[C@@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000825207357 628737692 /nfs/dbraw/zinc/73/76/92/628737692.db2.gz JBOCISPBTHIRPX-NWDGAFQWSA-N 1 1 308.378 3.320 20 10 DGCDMO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000825207357 628737695 /nfs/dbraw/zinc/73/76/95/628737695.db2.gz JBOCISPBTHIRPX-NWDGAFQWSA-N 1 1 308.378 3.320 20 10 DGCDMO COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000825321784 628749055 /nfs/dbraw/zinc/74/90/55/628749055.db2.gz NUHWCXJLVMVHRF-GFCCVEGCSA-N 1 1 313.825 3.303 20 10 DGCDMO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cc(Cl)c(F)cc2O)C1 ZINC000825337984 628751492 /nfs/dbraw/zinc/75/14/92/628751492.db2.gz KFMGIDWJMRNWIR-LBPRGKRZSA-N 1 1 300.805 3.099 20 10 DGCDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2cc(Cl)c(F)cc2O)C1 ZINC000825337984 628751495 /nfs/dbraw/zinc/75/14/95/628751495.db2.gz KFMGIDWJMRNWIR-LBPRGKRZSA-N 1 1 300.805 3.099 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@]2(C)CO)c(O)c(C(C)(C)C)c1 ZINC000825628978 628778780 /nfs/dbraw/zinc/77/87/80/628778780.db2.gz OMQYZRVJHLMOEI-SFHVURJKSA-N 1 1 307.434 3.045 20 10 DGCDMO C[C@H]1CCSCC[N@H+]1Cc1ccc(Br)cc1O ZINC000825685756 628785740 /nfs/dbraw/zinc/78/57/40/628785740.db2.gz LLYXTIONGYQVHP-JTQLQIEISA-N 1 1 316.264 3.482 20 10 DGCDMO CCCn1nccc1C[NH2+]Cc1cccc(Br)c1O ZINC000825709805 628788666 /nfs/dbraw/zinc/78/86/66/628788666.db2.gz BGLLTLNZWLIILO-UHFFFAOYSA-N 1 1 324.222 3.051 20 10 DGCDMO COc1cc(C[N@H+](C)CCCN(C)C)c(O)c(C(C)(C)C)c1 ZINC000825903825 628809328 /nfs/dbraw/zinc/80/93/28/628809328.db2.gz SWGRNGSUDXMXQI-UHFFFAOYSA-N 1 1 308.466 3.082 20 10 DGCDMO COc1cc(C[N@@H+](C)CCCN(C)C)c(O)c(C(C)(C)C)c1 ZINC000825903825 628809329 /nfs/dbraw/zinc/80/93/29/628809329.db2.gz SWGRNGSUDXMXQI-UHFFFAOYSA-N 1 1 308.466 3.082 20 10 DGCDMO COCc1nc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cs1 ZINC000825949227 628813501 /nfs/dbraw/zinc/81/35/01/628813501.db2.gz REEYPXNDVIQHEN-UHFFFAOYSA-N 1 1 312.822 3.247 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1Cl ZINC000826023916 628820950 /nfs/dbraw/zinc/82/09/50/628820950.db2.gz KZFNRBWYERPTQD-IRXDYDNUSA-N 1 1 307.821 3.497 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1Cl ZINC000826023916 628820951 /nfs/dbraw/zinc/82/09/51/628820951.db2.gz KZFNRBWYERPTQD-IRXDYDNUSA-N 1 1 307.821 3.497 20 10 DGCDMO COc1cc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000826130829 628830077 /nfs/dbraw/zinc/83/00/77/628830077.db2.gz MIHNJLWHRZOLOM-KGLIPLIRSA-N 1 1 321.461 3.149 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000827284284 628945844 /nfs/dbraw/zinc/94/58/44/628945844.db2.gz UGJYFKUZNSLBOU-PKOBYXMFSA-N 1 1 302.462 3.270 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000827537430 628968711 /nfs/dbraw/zinc/96/87/11/628968711.db2.gz BIPSXBJABWQLFQ-UHFFFAOYSA-N 1 1 307.821 3.437 20 10 DGCDMO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000827733815 628986837 /nfs/dbraw/zinc/98/68/37/628986837.db2.gz OZWKTSNCRWWWPW-APPDUMDISA-N 1 1 323.795 3.439 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)ccc1N(C)C ZINC000828910096 629108567 /nfs/dbraw/zinc/10/85/67/629108567.db2.gz CNIIEXLQEQSRCI-IEBWSBKVSA-N 1 1 302.462 3.452 20 10 DGCDMO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(N(C)C)cc1 ZINC000828959599 629113817 /nfs/dbraw/zinc/11/38/17/629113817.db2.gz NSBUCAMSBMSFQM-NSHDSACASA-N 1 1 302.447 3.332 20 10 DGCDMO COC(=O)c1cnc(SCCCCn2cc[nH+]c2C)s1 ZINC000829681038 629182149 /nfs/dbraw/zinc/18/21/49/629182149.db2.gz MGXHGIAEFPBLIY-UHFFFAOYSA-N 1 1 311.432 3.007 20 10 DGCDMO CCN(C)c1ccc(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC000830087263 629223814 /nfs/dbraw/zinc/22/38/14/629223814.db2.gz CLCFENUCYIKCML-INIZCTEOSA-N 1 1 301.478 3.059 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CCN(C3CC3)C[C@@H](C)C2)cc1 ZINC000830087263 629223816 /nfs/dbraw/zinc/22/38/16/629223816.db2.gz CLCFENUCYIKCML-INIZCTEOSA-N 1 1 301.478 3.059 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCN(C3CC3)C[C@@H](C)C2)cc1 ZINC000830087263 629223817 /nfs/dbraw/zinc/22/38/17/629223817.db2.gz CLCFENUCYIKCML-INIZCTEOSA-N 1 1 301.478 3.059 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@](O)(C(F)F)C2)ccc1N1CCCCC1 ZINC000831181793 629347219 /nfs/dbraw/zinc/34/72/19/629347219.db2.gz XMMNYNRXITVVKZ-SFHVURJKSA-N 1 1 324.415 3.187 20 10 DGCDMO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000832571264 629497259 /nfs/dbraw/zinc/49/72/59/629497259.db2.gz ZSTZCPJQQUIBAA-HUUCEWRRSA-N 1 1 311.809 3.295 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1O ZINC000834831538 629785899 /nfs/dbraw/zinc/78/58/99/629785899.db2.gz JUXLDMKATUXMNN-CABZTGNLSA-N 1 1 311.307 3.403 20 10 DGCDMO C[C@H](CCO)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000834829948 629786030 /nfs/dbraw/zinc/78/60/30/629786030.db2.gz AGIJUFUEFBIGSR-QWRGUYRKSA-N 1 1 305.340 3.470 20 10 DGCDMO C[C@H]([NH2+]CC1=CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000834861297 629792874 /nfs/dbraw/zinc/79/28/74/629792874.db2.gz YZSQLEVAJNKTDH-JTQLQIEISA-N 1 1 301.308 3.408 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000835026119 629827700 /nfs/dbraw/zinc/82/77/00/629827700.db2.gz QALLTNPEDYRDFJ-IVZVJUQRSA-N 1 1 310.445 3.369 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000835026209 629827801 /nfs/dbraw/zinc/82/78/01/629827801.db2.gz SEFLBXDXDNVXAX-REMYHPOOSA-N 1 1 300.446 3.267 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000835028784 629829004 /nfs/dbraw/zinc/82/90/04/629829004.db2.gz SHFPVUGEKRYWMS-SIEMBAAWSA-N 1 1 310.445 3.299 20 10 DGCDMO CCC[N@@H+](C)C[C@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027119 629829198 /nfs/dbraw/zinc/82/91/98/629829198.db2.gz BJQSDCNUTLPSRF-LIXSYLKWSA-N 1 1 315.505 3.430 20 10 DGCDMO CN(C)c1ccc(/C=C\CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000835030457 629829711 /nfs/dbraw/zinc/82/97/11/629829711.db2.gz YEHVCRBYEANRCM-JBJGNSMKSA-N 1 1 313.489 3.182 20 10 DGCDMO CN(C)c1ccc(/C=C\CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000835030457 629829714 /nfs/dbraw/zinc/82/97/14/629829714.db2.gz YEHVCRBYEANRCM-JBJGNSMKSA-N 1 1 313.489 3.182 20 10 DGCDMO CCC[N@@H+]1CC[C@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835034564 629830598 /nfs/dbraw/zinc/83/05/98/629830598.db2.gz BLNSVELDHAVOJA-OOFWQKGWSA-N 1 1 301.478 3.087 20 10 DGCDMO CCC[N@H+]1CC[C@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835034564 629830601 /nfs/dbraw/zinc/83/06/01/629830601.db2.gz BLNSVELDHAVOJA-OOFWQKGWSA-N 1 1 301.478 3.087 20 10 DGCDMO CN(C)c1ccc(/C=C\C[NH2+]CCc2ccc3cn[nH]c3c2)cc1 ZINC000835050529 629836356 /nfs/dbraw/zinc/83/63/56/629836356.db2.gz TWCGXZRQJUCBID-ARJAWSKDSA-N 1 1 320.440 3.474 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CC=C(c3ccnn3C)CC2)cc1 ZINC000835052872 629837446 /nfs/dbraw/zinc/83/74/46/629837446.db2.gz QGNGWXHIZWDFGL-PLNGDYQASA-N 1 1 322.456 3.289 20 10 DGCDMO COC(=O)c1cccc2c1CC[N@@H+](Cc1cc(C)ccc1O)C2 ZINC000835070820 629843966 /nfs/dbraw/zinc/84/39/66/629843966.db2.gz XHAKKQWEMIGBDW-UHFFFAOYSA-N 1 1 311.381 3.046 20 10 DGCDMO Cc1cc(O)c(C[NH+]2CCN(c3ccccn3)CC2)c(Cl)c1 ZINC000840907997 630375962 /nfs/dbraw/zinc/37/59/62/630375962.db2.gz LUZAIRNEBJBLGT-UHFFFAOYSA-N 1 1 317.820 3.071 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000840934363 630380102 /nfs/dbraw/zinc/38/01/02/630380102.db2.gz POGZPESIJOQJKK-KRWDZBQOSA-N 1 1 320.383 3.162 20 10 DGCDMO CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(O)c1 ZINC000840956103 630385422 /nfs/dbraw/zinc/38/54/22/630385422.db2.gz AWWBLKDFEPLMET-WMZOPIPTSA-N 1 1 313.397 3.099 20 10 DGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2nccc3ccccc32)cc1 ZINC000841042323 630400719 /nfs/dbraw/zinc/40/07/19/630400719.db2.gz IANYFTLCCGKXIN-IBGZPJMESA-N 1 1 320.440 3.090 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc3ncccc3c2)cc1 ZINC000841040101 630400792 /nfs/dbraw/zinc/40/07/92/630400792.db2.gz IKKCVFXCIRDMSA-LJQANCHMSA-N 1 1 320.440 3.090 20 10 DGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000841044335 630401026 /nfs/dbraw/zinc/40/10/26/630401026.db2.gz WDUWMBLBHLOXLT-CQSZACIVSA-N 1 1 309.866 3.257 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2coc3ccccc23)cc1 ZINC000841045680 630402034 /nfs/dbraw/zinc/40/20/34/630402034.db2.gz ODXFQXLGTRRPHH-GOSISDBHSA-N 1 1 309.413 3.288 20 10 DGCDMO Cc1cc(O)c(CNC[C@@H]2[NH2+]CCc3ccccc32)c(Cl)c1 ZINC000841066744 630403775 /nfs/dbraw/zinc/40/37/75/630403775.db2.gz GIZSJNMBOUZVSH-KRWDZBQOSA-N 1 1 316.832 3.331 20 10 DGCDMO C[NH2+]CCCN(C)Cc1ccc(OCc2ccccc2)cc1O ZINC000841104369 630408702 /nfs/dbraw/zinc/40/87/02/630408702.db2.gz PQFPMQZBBUMBNY-UHFFFAOYSA-N 1 1 314.429 3.013 20 10 DGCDMO C[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000841296488 630424063 /nfs/dbraw/zinc/42/40/63/630424063.db2.gz TYOCZXLGGGSNRC-UONOGXRCSA-N 1 1 316.449 3.043 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CC1(C)C ZINC000841890742 630473412 /nfs/dbraw/zinc/47/34/12/630473412.db2.gz KAZUZURKVHMNSG-NWDGAFQWSA-N 1 1 308.378 3.223 20 10 DGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000842616157 630554383 /nfs/dbraw/zinc/55/43/83/630554383.db2.gz SKRPJYGGEAIPAR-OAHLLOKOSA-N 1 1 320.396 3.022 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000842620159 630554476 /nfs/dbraw/zinc/55/44/76/630554476.db2.gz ZNRNMBXZFRIOEO-QAPCUYQASA-N 1 1 312.413 3.331 20 10 DGCDMO C[N@@H+](Cc1cc2c(cc1O)CCC2)C[C@@](C)(O)c1ccccc1 ZINC000842628451 630555117 /nfs/dbraw/zinc/55/51/17/630555117.db2.gz VPAISBUEMQYYPL-HXUWFJFHSA-N 1 1 311.425 3.220 20 10 DGCDMO C[C@@H]1CC2(C[N@H+]1Cc1cc3c(cc1O)CCC3)CCOCC2 ZINC000842638193 630556699 /nfs/dbraw/zinc/55/66/99/630556699.db2.gz XAKAVJOYODEBDT-CQSZACIVSA-N 1 1 301.430 3.272 20 10 DGCDMO Oc1c(F)cc(Cl)cc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000843047969 630608007 /nfs/dbraw/zinc/60/80/07/630608007.db2.gz FSQDJFUDZIFOBW-CABCVRRESA-N 1 1 312.816 3.291 20 10 DGCDMO Oc1ccc(Cl)c(F)c1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000843048029 630608275 /nfs/dbraw/zinc/60/82/75/630608275.db2.gz JOJXUOCTUHQDSY-ZIAGYGMSSA-N 1 1 312.816 3.291 20 10 DGCDMO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125279 630616737 /nfs/dbraw/zinc/61/67/37/630616737.db2.gz QRYGGMYOOSYJNT-NEPJUHHUSA-N 1 1 312.816 3.006 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1O ZINC000843415909 630654317 /nfs/dbraw/zinc/65/43/17/630654317.db2.gz FAHHJNPLMLMLKX-HZPDHXFCSA-N 1 1 305.418 3.182 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000844441335 630730484 /nfs/dbraw/zinc/73/04/84/630730484.db2.gz XHISYANSUHWNQF-OAHLLOKOSA-N 1 1 313.319 3.355 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3C[C@H]4[C@@H](C3)C4(F)F)c2c1 ZINC000844752230 630835777 /nfs/dbraw/zinc/83/57/77/630835777.db2.gz GQAMIKLTVAHSQA-GASCZTMLSA-N 1 1 305.324 3.251 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000844904566 630972778 /nfs/dbraw/zinc/97/27/78/630972778.db2.gz CQGOJIQRQZOOCR-NSHDSACASA-N 1 1 306.768 3.311 20 10 DGCDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846118176 631210893 /nfs/dbraw/zinc/21/08/93/631210893.db2.gz UZXPNFZBMBDMQP-GFCCVEGCSA-N 1 1 318.161 3.386 20 10 DGCDMO Oc1c(Br)cccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846118176 631210894 /nfs/dbraw/zinc/21/08/94/631210894.db2.gz UZXPNFZBMBDMQP-GFCCVEGCSA-N 1 1 318.161 3.386 20 10 DGCDMO COc1cccc([C@@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)c1O ZINC000846162069 631213061 /nfs/dbraw/zinc/21/30/61/631213061.db2.gz GHBRTNKMEZBPQD-RNCFNFMXSA-N 1 1 321.323 3.463 20 10 DGCDMO COCCc1cc[nH+]c(N[C@H](C)c2cccc(OC)c2O)c1 ZINC000846173574 631213465 /nfs/dbraw/zinc/21/34/65/631213465.db2.gz TULXIUGPQGGQCE-GFCCVEGCSA-N 1 1 302.374 3.158 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c(O)cc1C ZINC000848497636 631669789 /nfs/dbraw/zinc/66/97/89/631669789.db2.gz NVLPFCAKFNUBIO-MRXNPFEDSA-N 1 1 305.418 3.243 20 10 DGCDMO CCOCC[N@@H+](CC)Cc1c(O)ccc2ccc(OC)cc21 ZINC000107669027 631679284 /nfs/dbraw/zinc/67/92/84/631679284.db2.gz IIPBLPHYSVUAAF-UHFFFAOYSA-N 1 1 303.402 3.412 20 10 DGCDMO CC[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1O ZINC000848566249 631695422 /nfs/dbraw/zinc/69/54/22/631695422.db2.gz SFFAQBSMZAUJMB-NJAFHUGGSA-N 1 1 301.361 3.230 20 10 DGCDMO COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000848573569 631699076 /nfs/dbraw/zinc/69/90/76/631699076.db2.gz VOWFEXQGDFGNHK-LBPRGKRZSA-N 1 1 317.360 3.098 20 10 DGCDMO CCc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1O ZINC000848891547 631774097 /nfs/dbraw/zinc/77/40/97/631774097.db2.gz ZYOWWLUIFSRUNE-QFBILLFUSA-N 1 1 314.473 3.403 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1O ZINC000848891547 631774102 /nfs/dbraw/zinc/77/41/02/631774102.db2.gz ZYOWWLUIFSRUNE-QFBILLFUSA-N 1 1 314.473 3.403 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[S@](=O)C(CC)(CC)C2)c1O ZINC000848902237 631779760 /nfs/dbraw/zinc/77/97/60/631779760.db2.gz BFWGOGCMRSOFAO-NRFANRHFSA-N 1 1 309.475 3.078 20 10 DGCDMO CCc1cccc(C[N@@H+](CCOC)Cc2scnc2C)c1O ZINC000848907346 631781552 /nfs/dbraw/zinc/78/15/52/631781552.db2.gz MCMDDOKAYSWMQZ-UHFFFAOYSA-N 1 1 320.458 3.368 20 10 DGCDMO CCc1cccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O ZINC000848907406 631781785 /nfs/dbraw/zinc/78/17/85/631781785.db2.gz CSWWCGBLTNZREC-VCBZYWHSSA-N 1 1 319.445 3.113 20 10 DGCDMO CCc1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1O ZINC000848913630 631785654 /nfs/dbraw/zinc/78/56/54/631785654.db2.gz CTSZUIJNZJHBEK-SFHVURJKSA-N 1 1 301.430 3.346 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1O ZINC000848917540 631786449 /nfs/dbraw/zinc/78/64/49/631786449.db2.gz UUZAEGOBPPUOBT-ZWKOTPCHSA-N 1 1 303.446 3.328 20 10 DGCDMO CCc1cccc(C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)c1O ZINC000848919232 631786725 /nfs/dbraw/zinc/78/67/25/631786725.db2.gz IEPOPKXSLXYEPE-FQEVSTJZSA-N 1 1 311.425 3.220 20 10 DGCDMO Cc1cccc(C[N@H+](CC(=O)OC(C)(C)C)C2CCC2)c1O ZINC000848927543 631790682 /nfs/dbraw/zinc/79/06/82/631790682.db2.gz HIMHAAITBYQEBF-UHFFFAOYSA-N 1 1 305.418 3.397 20 10 DGCDMO Cc1cccc(C[N@@H+](CC(=O)OC(C)(C)C)C2CCC2)c1O ZINC000848927543 631790687 /nfs/dbraw/zinc/79/06/87/631790687.db2.gz HIMHAAITBYQEBF-UHFFFAOYSA-N 1 1 305.418 3.397 20 10 DGCDMO Oc1ccc(Cl)cc1CN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000849350366 631900234 /nfs/dbraw/zinc/90/02/34/631900234.db2.gz YBNBYEJZQYBRLN-IAGOWNOFSA-N 1 1 316.832 3.281 20 10 DGCDMO Cc1cccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1O ZINC000849349627 631900546 /nfs/dbraw/zinc/90/05/46/631900546.db2.gz DKPQJBSIHMMCTM-QZTJIDSGSA-N 1 1 314.404 3.075 20 10 DGCDMO Cc1cccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1O ZINC000849350329 631901048 /nfs/dbraw/zinc/90/10/48/631901048.db2.gz XXSFSOCVBVSBQY-QZTJIDSGSA-N 1 1 314.404 3.075 20 10 DGCDMO [O-]c1cccc(Cl)c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000849350843 631901562 /nfs/dbraw/zinc/90/15/62/631901562.db2.gz YQRTXLQFKPYZDK-AWEZNQCLSA-N 1 1 308.853 3.257 20 10 DGCDMO CC[C@@H](COCC1CC1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850351662 632121708 /nfs/dbraw/zinc/12/17/08/632121708.db2.gz QVJISFNNHYOKCJ-NSHDSACASA-N 1 1 301.789 3.480 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850373177 632129887 /nfs/dbraw/zinc/12/98/87/632129887.db2.gz DHGBBTYOSHMBKS-HIFRSBDPSA-N 1 1 307.752 3.453 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850379941 632133404 /nfs/dbraw/zinc/13/34/04/632133404.db2.gz 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DGCDMO Cc1cccc(C[N@H+]2CCCN(Cc3ccccc3)CC2)c1O ZINC000183383371 660109617 /nfs/dbraw/zinc/10/96/17/660109617.db2.gz XBIKEKKLYWHTRY-UHFFFAOYSA-N 1 1 310.441 3.409 20 10 DGCDMO Cc1cccc(CN2CCC[N@H+](Cc3ccccc3)CC2)c1O ZINC000183383371 660109618 /nfs/dbraw/zinc/10/96/18/660109618.db2.gz XBIKEKKLYWHTRY-UHFFFAOYSA-N 1 1 310.441 3.409 20 10 DGCDMO Cc1cccc(CN2CCC[N@@H+](Cc3ccccc3)CC2)c1O ZINC000183383371 660109619 /nfs/dbraw/zinc/10/96/19/660109619.db2.gz XBIKEKKLYWHTRY-UHFFFAOYSA-N 1 1 310.441 3.409 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)C1CCN(C(C)=O)CC1 ZINC000930350706 661391824 /nfs/dbraw/zinc/39/18/24/661391824.db2.gz JGZHNCBGFFSLOU-UHFFFAOYSA-N 1 1 304.434 3.005 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+]C2([C@@H]3CCCCO3)CC2)c1O ZINC000933380009 661631425 /nfs/dbraw/zinc/63/14/25/661631425.db2.gz XUXMFJQVLOHPKB-HNNXBMFYSA-N 1 1 323.820 3.440 20 10 DGCDMO CCO[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000155433491 661846733 /nfs/dbraw/zinc/84/67/33/661846733.db2.gz OKASFALFLDTFSV-CYBMUJFWSA-N 1 1 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DGCDMO CC[N@H+]1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@H]1C ZINC001474380315 1183913539 /nfs/dbraw/zinc/91/35/39/1183913539.db2.gz OKQCUQVVPBSQPW-CQSZACIVSA-N 1 1 320.477 3.224 20 10 DGCDMO CCN1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@H]1C ZINC001474380315 1183913540 /nfs/dbraw/zinc/91/35/40/1183913540.db2.gz OKQCUQVVPBSQPW-CQSZACIVSA-N 1 1 320.477 3.224 20 10 DGCDMO CCN1CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@H]1C ZINC001474380315 1183913541 /nfs/dbraw/zinc/91/35/41/1183913541.db2.gz OKQCUQVVPBSQPW-CQSZACIVSA-N 1 1 320.477 3.224 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@@H](C(C)C)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001474521470 1183934885 /nfs/dbraw/zinc/93/48/85/1183934885.db2.gz MJBWEGSUOYQMRD-DZGCQCFKSA-N 1 1 322.405 3.421 20 10 DGCDMO COc1c(O)c(C[N@H+]2C[C@@H](C(C)C)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001474521470 1183934887 /nfs/dbraw/zinc/93/48/87/1183934887.db2.gz MJBWEGSUOYQMRD-DZGCQCFKSA-N 1 1 322.405 3.421 20 10 DGCDMO CCc1cccc(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c1O ZINC001474571128 1183942625 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Oc1cc(F)c(Cl)cc1C[NH2+]CCOCC1CCCC1 ZINC001182204267 1083643648 /nfs/dbraw/zinc/64/36/48/1083643648.db2.gz OWFHNKKSWWUEGT-UHFFFAOYSA-N 1 1 301.789 3.481 20 10 DGCDMO C[C@@]12CSC[C@@H]1C[N@H+](Cc1c(O)ccc(Cl)c1F)C2 ZINC001184189322 1084114672 /nfs/dbraw/zinc/11/46/72/1084114672.db2.gz UWGWORYIUNQYBF-LKFCYVNXSA-N 1 1 301.814 3.370 20 10 DGCDMO C[C@@]12CSC[C@@H]1C[N@@H+](Cc1c(O)ccc(Cl)c1F)C2 ZINC001184189322 1084114675 /nfs/dbraw/zinc/11/46/75/1084114675.db2.gz UWGWORYIUNQYBF-LKFCYVNXSA-N 1 1 301.814 3.370 20 10 DGCDMO COc1c(F)cccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001143536972 1084610357 /nfs/dbraw/zinc/61/03/57/1084610357.db2.gz LXQJAFSLTXQOSL-UHFFFAOYSA-N 1 1 317.360 3.194 20 10 DGCDMO COc1c(F)cccc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001143536972 1084610359 /nfs/dbraw/zinc/61/03/59/1084610359.db2.gz LXQJAFSLTXQOSL-UHFFFAOYSA-N 1 1 317.360 3.194 20 10 DGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3cccnc3c2O)CCO1 ZINC001168079081 1086746621 /nfs/dbraw/zinc/74/66/21/1086746621.db2.gz 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/nfs/dbraw/zinc/73/39/47/1091733947.db2.gz QGFPXQXBFULJOR-CVEARBPZSA-N 1 1 319.493 3.101 20 10 DGCDMO COc1ccc(N2CC[NH+](Cc3cc(C)ccn3)CC2)c(C)c1 ZINC001206853694 1091770718 /nfs/dbraw/zinc/77/07/18/1091770718.db2.gz WXDSKTIGASRMOI-UHFFFAOYSA-N 1 1 311.429 3.029 20 10 DGCDMO COC(=O)CC[N@@H+](Cc1ccco1)Cc1c(C)ccc(C)c1O ZINC001140178937 1091791913 /nfs/dbraw/zinc/79/19/13/1091791913.db2.gz DFEFELXMYSZKLA-UHFFFAOYSA-N 1 1 317.385 3.167 20 10 DGCDMO CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178847 1091792069 /nfs/dbraw/zinc/79/20/69/1091792069.db2.gz ZSAXAVLMMFYRJU-HNNXBMFYSA-N 1 1 305.418 3.174 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CCCC[C@](O)(C(F)(F)F)C2)c1O ZINC001140178184 1091792272 /nfs/dbraw/zinc/79/22/72/1091792272.db2.gz BWAMACAQOLNNKJ-OAHLLOKOSA-N 1 1 317.351 3.288 20 10 DGCDMO CCC[N@@H+](Cc1c(C)ccc(C)c1O)C1CCN(C(C)=O)CC1 ZINC001140183269 1091793591 /nfs/dbraw/zinc/79/35/91/1091793591.db2.gz ARVJYVCIBSHMOO-UHFFFAOYSA-N 1 1 318.461 3.232 20 10 DGCDMO CCc1noc([C@@H]2CCC[N@@H+](Cc3c(C)ccc(C)c3O)C2)n1 ZINC001140183317 1091793954 /nfs/dbraw/zinc/79/39/54/1091793954.db2.gz BORZVNXGSHYLFC-CQSZACIVSA-N 1 1 315.417 3.334 20 10 DGCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](Oc3ncccc3C)C2)c1O ZINC001140184725 1091794679 /nfs/dbraw/zinc/79/46/79/1091794679.db2.gz GANSWKMHLTYHKP-MRXNPFEDSA-N 1 1 312.413 3.366 20 10 DGCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@H](N3CCCC3)[C@@H](F)C2)c1O ZINC001140185984 1091795268 /nfs/dbraw/zinc/79/52/68/1091795268.db2.gz WEGGGOIDFKXBQG-IRXDYDNUSA-N 1 1 306.425 3.017 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H](N3CCCC3)[C@@H](F)C2)c1O ZINC001140185984 1091795276 /nfs/dbraw/zinc/79/52/76/1091795276.db2.gz WEGGGOIDFKXBQG-IRXDYDNUSA-N 1 1 306.425 3.017 20 10 DGCDMO Cc1cc(N2CCN(Cc3c(O)cccc3Cl)CC2)cc[nH+]1 ZINC001140342705 1091835128 /nfs/dbraw/zinc/83/51/28/1091835128.db2.gz VHCSORVBMKCZGO-UHFFFAOYSA-N 1 1 317.820 3.071 20 10 DGCDMO O=C([C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1Cl)N1CCCC1 ZINC001140345612 1091837468 /nfs/dbraw/zinc/83/74/68/1091837468.db2.gz WXEOPXAIWDLZOR-HNNXBMFYSA-N 1 1 322.836 3.023 20 10 DGCDMO CC(C)NC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC001140617225 1091932136 /nfs/dbraw/zinc/93/21/36/1091932136.db2.gz IEGULTYCJWGOAJ-UHFFFAOYSA-N 1 1 312.413 3.162 20 10 DGCDMO Cc1ccc(O)c(C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC001140620987 1091934087 /nfs/dbraw/zinc/93/40/87/1091934087.db2.gz JXUDCWDMLTUINE-WOJBJXKFSA-N 1 1 322.452 3.264 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1 ZINC001140621098 1091934177 /nfs/dbraw/zinc/93/41/77/1091934177.db2.gz OMFUXGWEZGUXHB-QUCCMNQESA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1ccc(O)c(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001140621098 1091934186 /nfs/dbraw/zinc/93/41/86/1091934186.db2.gz OMFUXGWEZGUXHB-QUCCMNQESA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1ccc(O)c(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001140621098 1091934194 /nfs/dbraw/zinc/93/41/94/1091934194.db2.gz OMFUXGWEZGUXHB-QUCCMNQESA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC001140624224 1091936522 /nfs/dbraw/zinc/93/65/22/1091936522.db2.gz LRBAFNVVIXSDIO-QUCCMNQESA-N 1 1 322.452 3.407 20 10 DGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)[C@H]1C ZINC001140661698 1091950341 /nfs/dbraw/zinc/95/03/41/1091950341.db2.gz OJDHSRLLQHBFNI-CABCVRRESA-N 1 1 306.425 3.283 20 10 DGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H]2COCc2ccccc2)c1O ZINC001140745554 1091983574 /nfs/dbraw/zinc/98/35/74/1091983574.db2.gz KMBZTKCOFFPNJQ-QGZVFWFLSA-N 1 1 313.397 3.197 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(O)c(C)c1O ZINC001140749713 1091985817 /nfs/dbraw/zinc/98/58/17/1091985817.db2.gz KJWFWPQPRSMYKW-UHFFFAOYSA-N 1 1 314.429 3.494 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@H]2C(C)C)c(O)c1 ZINC001140855465 1092031379 /nfs/dbraw/zinc/03/13/79/1092031379.db2.gz AESYQBCXHIXLCV-KRWDZBQOSA-N 1 1 306.450 3.095 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](OC(C)C)C2)c(O)c1 ZINC001140855757 1092031477 /nfs/dbraw/zinc/03/14/77/1092031477.db2.gz JOMLLGAVEIFZKF-KRWDZBQOSA-N 1 1 306.450 3.238 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2Cl)CCC[C@@]1(C)O ZINC001140921308 1092062136 /nfs/dbraw/zinc/06/21/36/1092062136.db2.gz ATCGNXMNRJPLTG-CXAGYDPISA-N 1 1 310.869 3.389 20 10 DGCDMO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1O ZINC001207732268 1092084178 /nfs/dbraw/zinc/08/41/78/1092084178.db2.gz FWYVLKNHSFCJJR-UHFFFAOYSA-N 1 1 315.360 3.224 20 10 DGCDMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1O ZINC001207732268 1092084187 /nfs/dbraw/zinc/08/41/87/1092084187.db2.gz FWYVLKNHSFCJJR-UHFFFAOYSA-N 1 1 315.360 3.224 20 10 DGCDMO FC1(F)C[C@@H]2C[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@@H]21 ZINC001141074956 1092129915 /nfs/dbraw/zinc/12/99/15/1092129915.db2.gz FQXOYLPHKDMEEH-SJORKVTESA-N 1 1 318.411 3.472 20 10 DGCDMO C[N@@H+](Cc1ccc(Br)cc1)Cc1cc(O)ccc1O ZINC001141158547 1092155731 /nfs/dbraw/zinc/15/57/31/1092155731.db2.gz DJVDMWHZUBIWNO-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO C[N@@H+](Cc1cc(O)ccc1O)Cc1ccccc1Br ZINC001141156332 1092156206 /nfs/dbraw/zinc/15/62/06/1092156206.db2.gz JRVIDHIUPJTRJB-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO C[N@H+](Cc1cc(O)ccc1O)Cc1ccccc1Br ZINC001141156332 1092156209 /nfs/dbraw/zinc/15/62/09/1092156209.db2.gz JRVIDHIUPJTRJB-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO COc1ccc(N2CC[NH+](Cc3ccc(C)cc3F)CC2)cc1 ZINC001141191229 1092168443 /nfs/dbraw/zinc/16/84/43/1092168443.db2.gz FDZHGBCYIZSMMZ-UHFFFAOYSA-N 1 1 314.404 3.465 20 10 DGCDMO CC[C@@H](CCC(=O)OC)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001208792691 1092510112 /nfs/dbraw/zinc/51/01/12/1092510112.db2.gz QDOFCZHRUMCHKB-HNNXBMFYSA-N 1 1 306.450 3.164 20 10 DGCDMO CC[N@@H+](Cc1cnc2ccc(Cl)nn12)Cc1ccccc1O ZINC001142997096 1092600233 /nfs/dbraw/zinc/60/02/33/1092600233.db2.gz MQCZJQFNZIIJAE-UHFFFAOYSA-N 1 1 316.792 3.110 20 10 DGCDMO CC(C)(C)c1cccc(C[N@H+]2CCN3CCCC[C@@H]3C2)c1O ZINC001143110609 1092616678 /nfs/dbraw/zinc/61/66/78/1092616678.db2.gz LEXKFPQPCWNETC-MRXNPFEDSA-N 1 1 302.462 3.360 20 10 DGCDMO CC(C)(C)c1cccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1O ZINC001143110609 1092616683 /nfs/dbraw/zinc/61/66/83/1092616683.db2.gz LEXKFPQPCWNETC-MRXNPFEDSA-N 1 1 302.462 3.360 20 10 DGCDMO CC(C)(C)c1cccc(CN2CC[N@H+]3CCCC[C@@H]3C2)c1O ZINC001143110609 1092616688 /nfs/dbraw/zinc/61/66/88/1092616688.db2.gz LEXKFPQPCWNETC-MRXNPFEDSA-N 1 1 302.462 3.360 20 10 DGCDMO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110776 1092617015 /nfs/dbraw/zinc/61/70/15/1092617015.db2.gz OOVSCBBMACACKO-UKRRQHHQSA-N 1 1 319.445 3.321 20 10 DGCDMO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143116494 1092617819 /nfs/dbraw/zinc/61/78/19/1092617819.db2.gz FAVFONNXKXEDKJ-INWMFGNUSA-N 1 1 317.429 3.216 20 10 DGCDMO CN1CCC[C@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3O)C[C@@H]21 ZINC001143116418 1092617846 /nfs/dbraw/zinc/61/78/46/1092617846.db2.gz ANFDCINLQIZNDO-YOEHRIQHSA-N 1 1 302.462 3.216 20 10 DGCDMO CN1CCC[C@@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3O)C[C@H]21 ZINC001143116416 1092618830 /nfs/dbraw/zinc/61/88/30/1092618830.db2.gz ANFDCINLQIZNDO-RHSMWYFYSA-N 1 1 302.462 3.216 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)CCc2ccc3c(c2)CCO3)cc1 ZINC001209148911 1092672730 /nfs/dbraw/zinc/67/27/30/1092672730.db2.gz NJQWPMMRZTVSEE-UHFFFAOYSA-N 1 1 310.441 3.362 20 10 DGCDMO COC(=O)c1sccc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC001119947479 1094318591 /nfs/dbraw/zinc/31/85/91/1094318591.db2.gz SXUVCDMBMQHFIM-UHFFFAOYSA-N 1 1 318.442 3.199 20 10 DGCDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001336893591 1094776673 /nfs/dbraw/zinc/77/66/73/1094776673.db2.gz LQMUNZSZHICJQT-KRWDZBQOSA-N 1 1 319.468 3.342 20 10 DGCDMO c1coc([C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)CCO2)c1 ZINC001337042238 1094827970 /nfs/dbraw/zinc/82/79/70/1094827970.db2.gz IEPIHXQQRWOQGD-LJQANCHMSA-N 1 1 312.413 3.453 20 10 DGCDMO c1coc([C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)CCO2)c1 ZINC001337042238 1094827982 /nfs/dbraw/zinc/82/79/82/1094827982.db2.gz IEPIHXQQRWOQGD-LJQANCHMSA-N 1 1 312.413 3.453 20 10 DGCDMO Cc1cc(CN2CCC([N@@H+](C)C3CC3)CC2)ccc1N(C)C ZINC001139674430 1095053821 /nfs/dbraw/zinc/05/38/21/1095053821.db2.gz ZLXLSWBXRICYHP-UHFFFAOYSA-N 1 1 301.478 3.120 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC001338444608 1095305291 /nfs/dbraw/zinc/30/52/91/1095305291.db2.gz AVVKPDQRRLFJIE-GOSISDBHSA-N 1 1 302.462 3.270 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)cc1 ZINC001338444609 1095305865 /nfs/dbraw/zinc/30/58/65/1095305865.db2.gz AVVKPDQRRLFJIE-SFHVURJKSA-N 1 1 302.462 3.270 20 10 DGCDMO [O-]c1c(F)ccc(F)c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222162102 1095469132 /nfs/dbraw/zinc/46/91/32/1095469132.db2.gz YEYHNVKFMJBSHL-GOSISDBHSA-N 1 1 324.415 3.416 20 10 DGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222166639 1095470942 /nfs/dbraw/zinc/47/09/42/1095470942.db2.gz APMNPTADQVEGGE-SFHVURJKSA-N 1 1 324.415 3.416 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222277372 1095525695 /nfs/dbraw/zinc/52/56/95/1095525695.db2.gz MLPGUKAHGJBXEB-MRXNPFEDSA-N 1 1 312.816 3.150 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222277372 1095525708 /nfs/dbraw/zinc/52/57/08/1095525708.db2.gz MLPGUKAHGJBXEB-MRXNPFEDSA-N 1 1 312.816 3.150 20 10 DGCDMO Cc1cc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)ccc1N(C)C ZINC001139669625 1095600092 /nfs/dbraw/zinc/60/00/92/1095600092.db2.gz DRMGAJMATHHVIR-WMZOPIPTSA-N 1 1 300.446 3.395 20 10 DGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)c(O)c1 ZINC001144509458 1095698876 /nfs/dbraw/zinc/69/88/76/1095698876.db2.gz XBNHXVKVXXEVQO-OAHLLOKOSA-N 1 1 321.323 3.419 20 10 DGCDMO CC[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(F)cc1O ZINC001117140075 1095719704 /nfs/dbraw/zinc/71/97/04/1095719704.db2.gz YXLVUPTVDQCHMP-CJNGLKHVSA-N 1 1 322.424 3.221 20 10 DGCDMO CN1CCC([N@H+](Cc2c(O)cccc2F)C2CCCC2)CC1 ZINC001137841438 1095758550 /nfs/dbraw/zinc/75/85/50/1095758550.db2.gz DYXYAQWXMNFQKB-UHFFFAOYSA-N 1 1 306.425 3.370 20 10 DGCDMO CN1CCC([N@@H+](Cc2c(O)cccc2F)C2CCCC2)CC1 ZINC001137841438 1095758561 /nfs/dbraw/zinc/75/85/61/1095758561.db2.gz DYXYAQWXMNFQKB-UHFFFAOYSA-N 1 1 306.425 3.370 20 10 DGCDMO CCCc1noc(C2CC[NH+](Cc3c(O)cccc3F)CC2)n1 ZINC001137838443 1095758601 /nfs/dbraw/zinc/75/86/01/1095758601.db2.gz ACJIJIKKEVJDHG-UHFFFAOYSA-N 1 1 319.380 3.246 20 10 DGCDMO Cc1cccc(O[C@@H]2CCC[N@H+](Cc3c(O)cccc3F)C2)n1 ZINC001137841460 1095760086 /nfs/dbraw/zinc/76/00/86/1095760086.db2.gz FRCOHEPLLXJZCQ-CQSZACIVSA-N 1 1 316.376 3.278 20 10 DGCDMO Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3c(O)cccc3F)C2)n1 ZINC001137841460 1095760090 /nfs/dbraw/zinc/76/00/90/1095760090.db2.gz FRCOHEPLLXJZCQ-CQSZACIVSA-N 1 1 316.376 3.278 20 10 DGCDMO C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c([O-])cccc1F ZINC001137839196 1095760539 /nfs/dbraw/zinc/76/05/39/1095760539.db2.gz VUIYXTXPZOCACA-GJZGRUSLSA-N 1 1 306.425 3.370 20 10 DGCDMO C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1c([O-])cccc1F ZINC001137839196 1095760544 /nfs/dbraw/zinc/76/05/44/1095760544.db2.gz VUIYXTXPZOCACA-GJZGRUSLSA-N 1 1 306.425 3.370 20 10 DGCDMO C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1c([O-])cccc1F ZINC001137839196 1095760546 /nfs/dbraw/zinc/76/05/46/1095760546.db2.gz VUIYXTXPZOCACA-GJZGRUSLSA-N 1 1 306.425 3.370 20 10 DGCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137855973 1095767617 /nfs/dbraw/zinc/76/76/17/1095767617.db2.gz MAZGBKHTBAHXBL-MRXNPFEDSA-N 1 1 312.413 3.089 20 10 DGCDMO CC[N@@H+](CCC(=O)OC)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137859441 1095769281 /nfs/dbraw/zinc/76/92/81/1095769281.db2.gz YPUMLNFMCAHESB-UHFFFAOYSA-N 1 1 314.429 3.479 20 10 DGCDMO COC(C[N@@H+](C)Cc1cc(C)n(-c2ccccc2)c1C)OC ZINC001137859116 1095770810 /nfs/dbraw/zinc/77/08/10/1095770810.db2.gz JFMDIQHIXNTDBP-UHFFFAOYSA-N 1 1 302.418 3.145 20 10 DGCDMO COc1ccc(CC[N@@H+](C)Cc2cccc(F)c2[O-])cc1OC ZINC001138122511 1095896476 /nfs/dbraw/zinc/89/64/76/1095896476.db2.gz JYZXGPRODPGCJM-UHFFFAOYSA-N 1 1 319.376 3.223 20 10 DGCDMO COc1ccc(CC[N@H+](C)Cc2cccc(F)c2O)cc1OC ZINC001138122511 1095896493 /nfs/dbraw/zinc/89/64/93/1095896493.db2.gz JYZXGPRODPGCJM-UHFFFAOYSA-N 1 1 319.376 3.223 20 10 DGCDMO COc1ccc(CC[N@@H+](C)Cc2cccc(F)c2O)cc1OC ZINC001138122511 1095896506 /nfs/dbraw/zinc/89/65/06/1095896506.db2.gz JYZXGPRODPGCJM-UHFFFAOYSA-N 1 1 319.376 3.223 20 10 DGCDMO C[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(Cl)cc1O ZINC001118027233 1095924236 /nfs/dbraw/zinc/92/42/36/1095924236.db2.gz VPPKZFKUQRDIFK-OLZOCXBDSA-N 1 1 324.852 3.345 20 10 DGCDMO CCOCC[C@H](C)[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001172409881 1097131761 /nfs/dbraw/zinc/13/17/61/1097131761.db2.gz ARWIWWZKQLWGEP-NSHDSACASA-N 1 1 308.809 3.499 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172622368 1097207154 /nfs/dbraw/zinc/20/71/54/1097207154.db2.gz KIKBWWXSWNUDEL-WMZOPIPTSA-N 1 1 318.461 3.306 20 10 DGCDMO CC[NH+](CC)C1CCC([N@H+]2CCc3cccc(O)c3C2)CC1 ZINC001173112589 1097333236 /nfs/dbraw/zinc/33/32/36/1097333236.db2.gz CQAMUSYAOIPRGX-UHFFFAOYSA-N 1 1 302.462 3.403 20 10 DGCDMO O=c1ccc2c([nH]1)CC[N@H+](Cc1c(O)ccc3ccccc31)CC2 ZINC001231590456 1097785093 /nfs/dbraw/zinc/78/50/93/1097785093.db2.gz BSXXOAXRUYAGHK-UHFFFAOYSA-N 1 1 320.392 3.247 20 10 DGCDMO C[N@@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCC2(C1)OCCO2 ZINC001231589425 1097785219 /nfs/dbraw/zinc/78/52/19/1097785219.db2.gz ICQMYXYLRNYYFJ-OAHLLOKOSA-N 1 1 313.397 3.273 20 10 DGCDMO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC001231591173 1097786923 /nfs/dbraw/zinc/78/69/23/1097786923.db2.gz WUWUXQGVYAAFAB-KRWDZBQOSA-N 1 1 301.386 3.175 20 10 DGCDMO CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1cccc(C)c1O)C2 ZINC001231593562 1097787513 /nfs/dbraw/zinc/78/75/13/1097787513.db2.gz RTLSICBZLWCCQU-IBGZPJMESA-N 1 1 316.445 3.068 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2)c1O ZINC001231595301 1097788279 /nfs/dbraw/zinc/78/82/79/1097788279.db2.gz VWEXZNAMCFBIHU-KRWDZBQOSA-N 1 1 310.397 3.304 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2cccc3cccnc32)c(O)cc1O ZINC001231636079 1097796855 /nfs/dbraw/zinc/79/68/55/1097796855.db2.gz 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ZINC001232403754 1098030155 /nfs/dbraw/zinc/03/01/55/1098030155.db2.gz COJBKAWQIDWMCA-ZDUSSCGKSA-N 1 1 312.413 3.339 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CCC[C@H](CF)C2)c2ccccc2n1C ZINC001232407419 1098030409 /nfs/dbraw/zinc/03/04/09/1098030409.db2.gz OONMDABTEQWWNJ-CYBMUJFWSA-N 1 1 318.392 3.146 20 10 DGCDMO C[N@@H+](Cc1c[nH]c2nccnc12)Cc1ccc(N2CCCC2)cc1 ZINC001232548230 1098073222 /nfs/dbraw/zinc/07/32/22/1098073222.db2.gz JDSMPACQROQZAY-UHFFFAOYSA-N 1 1 321.428 3.142 20 10 DGCDMO CC[N@@H+](Cc1ccc(CCO)cc1)Cc1ccc(N(C)C)cc1 ZINC001232780580 1098132645 /nfs/dbraw/zinc/13/26/45/1098132645.db2.gz JRJDWLZWEWSNBI-UHFFFAOYSA-N 1 1 312.457 3.310 20 10 DGCDMO CCCn1cnc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)c1 ZINC001232800127 1098140631 /nfs/dbraw/zinc/14/06/31/1098140631.db2.gz LVSUFQXPTMQKNC-UHFFFAOYSA-N 1 1 300.450 3.381 20 10 DGCDMO CCCn1cnc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)c1 ZINC001232800127 1098140633 /nfs/dbraw/zinc/14/06/33/1098140633.db2.gz LVSUFQXPTMQKNC-UHFFFAOYSA-N 1 1 300.450 3.381 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)CCC(=O)c2cccs2)c(O)c1 ZINC001232840465 1098150610 /nfs/dbraw/zinc/15/06/10/1098150610.db2.gz AQZDOVGFULMMHW-UHFFFAOYSA-N 1 1 318.442 3.225 20 10 DGCDMO CC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232840801 1098150835 /nfs/dbraw/zinc/15/08/35/1098150835.db2.gz JQMQQHXVURQHIB-UHFFFAOYSA-N 1 1 324.424 3.219 20 10 DGCDMO COc1ccc(N2CC[NH+](Cc3cnc(C)cc3C)CC2)cc1 ZINC001233006974 1098200700 /nfs/dbraw/zinc/20/07/00/1098200700.db2.gz FRFUHAVTPBAEDG-UHFFFAOYSA-N 1 1 311.429 3.029 20 10 DGCDMO COc1ccccc1[C@H](C)[N@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233017425 1098204409 /nfs/dbraw/zinc/20/44/09/1098204409.db2.gz UYSSTTVPSLPSAF-NSHDSACASA-N 1 1 303.358 3.005 20 10 DGCDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233017425 1098204413 /nfs/dbraw/zinc/20/44/13/1098204413.db2.gz UYSSTTVPSLPSAF-NSHDSACASA-N 1 1 303.358 3.005 20 10 DGCDMO COc1ccc(N2CC[NH+](Cc3cnc(C)c(C)c3)CC2)cc1 ZINC001233155482 1098238408 /nfs/dbraw/zinc/23/84/08/1098238408.db2.gz DACBJVTWYJZFCT-UHFFFAOYSA-N 1 1 311.429 3.029 20 10 DGCDMO CC(C)(C)c1ccc(O)c(C[NH+]2CC(N3CCC(F)CC3)C2)c1 ZINC001233285993 1098275272 /nfs/dbraw/zinc/27/52/72/1098275272.db2.gz ADMASHRNCKNHJV-UHFFFAOYSA-N 1 1 320.452 3.308 20 10 DGCDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233286445 1098275819 /nfs/dbraw/zinc/27/58/19/1098275819.db2.gz UOXVJBGXZKBBMX-HNNXBMFYSA-N 1 1 305.418 3.217 20 10 DGCDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233287435 1098277875 /nfs/dbraw/zinc/27/78/75/1098277875.db2.gz PKWKDDBQEUNKNN-SFHVURJKSA-N 1 1 305.418 3.075 20 10 DGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001233334898 1098291292 /nfs/dbraw/zinc/29/12/92/1098291292.db2.gz YOIMFNGVVTYKOA-ZDUSSCGKSA-N 1 1 320.339 3.109 20 10 DGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001233334898 1098291297 /nfs/dbraw/zinc/29/12/97/1098291297.db2.gz YOIMFNGVVTYKOA-ZDUSSCGKSA-N 1 1 320.339 3.109 20 10 DGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001233334650 1098292198 /nfs/dbraw/zinc/29/21/98/1098292198.db2.gz OQLKXZROBKJQOQ-ZDUSSCGKSA-N 1 1 304.340 3.273 20 10 DGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001233334650 1098292203 /nfs/dbraw/zinc/29/22/03/1098292203.db2.gz OQLKXZROBKJQOQ-ZDUSSCGKSA-N 1 1 304.340 3.273 20 10 DGCDMO Oc1cccc2c1C[N@H+](Cc1cn3ccc(Cl)cc3n1)CC2 ZINC001233391922 1098313134 /nfs/dbraw/zinc/31/31/34/1098313134.db2.gz CSQVCTYCVCJBSQ-UHFFFAOYSA-N 1 1 313.788 3.252 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1cn3ccc(Cl)cc3n1)CC2 ZINC001233391922 1098313138 /nfs/dbraw/zinc/31/31/38/1098313138.db2.gz CSQVCTYCVCJBSQ-UHFFFAOYSA-N 1 1 313.788 3.252 20 10 DGCDMO C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@H]1O ZINC001233415606 1098322368 /nfs/dbraw/zinc/32/23/68/1098322368.db2.gz CGEWHDOSHOLAMX-GXFFZTMASA-N 1 1 303.324 3.004 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@H]1O ZINC001233415606 1098322376 /nfs/dbraw/zinc/32/23/76/1098322376.db2.gz CGEWHDOSHOLAMX-GXFFZTMASA-N 1 1 303.324 3.004 20 10 DGCDMO Oc1c(C[N@@H+]2CCC[C@@](O)(CF)CC2)cccc1C(F)(F)F ZINC001233415972 1098322985 /nfs/dbraw/zinc/32/29/85/1098322985.db2.gz QIDKXJWUUIWILJ-AWEZNQCLSA-N 1 1 321.314 3.098 20 10 DGCDMO Oc1c(C[N@H+]2CCC[C@@](O)(CF)CC2)cccc1C(F)(F)F ZINC001233415972 1098322990 /nfs/dbraw/zinc/32/29/90/1098322990.db2.gz QIDKXJWUUIWILJ-AWEZNQCLSA-N 1 1 321.314 3.098 20 10 DGCDMO C[C@]1(CO)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233452016 1098338573 /nfs/dbraw/zinc/33/85/73/1098338573.db2.gz HRKXQTLEEVDLRM-HNNXBMFYSA-N 1 1 317.351 3.396 20 10 DGCDMO OC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233452073 1098339073 /nfs/dbraw/zinc/33/90/73/1098339073.db2.gz JNASBPAZGUQEOG-LLVKDONJSA-N 1 1 303.324 3.005 20 10 DGCDMO OCC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233453987 1098340488 /nfs/dbraw/zinc/34/04/88/1098340488.db2.gz BONHFHDCSSAKCI-LLVKDONJSA-N 1 1 303.324 3.005 20 10 DGCDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCO1 ZINC001233454964 1098340927 /nfs/dbraw/zinc/34/09/27/1098340927.db2.gz QLCZZBBHPCKIGQ-CQSZACIVSA-N 1 1 303.324 3.268 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)[C@@H](C)C1 ZINC001233456378 1098342702 /nfs/dbraw/zinc/34/27/02/1098342702.db2.gz URMPNWJSRXQRKI-GXFFZTMASA-N 1 1 303.324 3.410 20 10 DGCDMO CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001233499286 1098353011 /nfs/dbraw/zinc/35/30/11/1098353011.db2.gz XYGYUYQWSNTSEL-CLLJXQQHSA-N 1 1 319.401 3.085 20 10 DGCDMO Oc1c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cccc1OC(F)(F)F ZINC001233768519 1098427067 /nfs/dbraw/zinc/42/70/67/1098427067.db2.gz SOVMWCMVNJSHMK-DCAQKATOSA-N 1 1 305.271 3.223 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@]2(CO)c2ccccc2)cc1 ZINC001176960072 1098457043 /nfs/dbraw/zinc/45/70/43/1098457043.db2.gz SPSAKXBLDXAKSS-FQEVSTJZSA-N 1 1 310.441 3.236 20 10 DGCDMO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)N(C)c1ccccc1 ZINC001177262231 1098509142 /nfs/dbraw/zinc/50/91/42/1098509142.db2.gz QXTYVXUHDNJZEH-GFCCVEGCSA-N 1 1 306.356 3.285 20 10 DGCDMO CCN(CC)c1ccc(CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC001177333393 1098518223 /nfs/dbraw/zinc/51/82/23/1098518223.db2.gz BAWQOVZOFWHTMP-UHFFFAOYSA-N 1 1 315.505 3.497 20 10 DGCDMO CC(=O)c1cc(O)c(O)cc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001234475626 1098564872 /nfs/dbraw/zinc/56/48/72/1098564872.db2.gz HAJRFXCUJADIOG-WDNDVIMCSA-N 1 1 319.401 3.083 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H]4OCC[C@@H]4C3)c2c1 ZINC001234561922 1098600570 /nfs/dbraw/zinc/60/05/70/1098600570.db2.gz GIGWESMNQXTRSY-AUUYWEPGSA-N 1 1 313.397 3.165 20 10 DGCDMO COC(C[N@@H+](C)Cc1cccc(-c2ccccc2)c1O)OC ZINC001234997213 1098740440 /nfs/dbraw/zinc/74/04/40/1098740440.db2.gz VKNGCEFPWNCVAK-UHFFFAOYSA-N 1 1 301.386 3.110 20 10 DGCDMO Cn1ncc2c1CC[N@@H+](Cc1cccc(-c3ccccc3)c1O)C2 ZINC001234998357 1098741780 /nfs/dbraw/zinc/74/17/80/1098741780.db2.gz JIJDZJXTOPUXSA-UHFFFAOYSA-N 1 1 319.408 3.351 20 10 DGCDMO Cc1cc(Cl)cc(CN2CCC[C@@]3(CCC[NH2+]3)CC2)c1O ZINC001235041004 1098768589 /nfs/dbraw/zinc/76/85/89/1098768589.db2.gz WCGUKSWZWDZREK-KRWDZBQOSA-N 1 1 308.853 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CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138123926 1105001459 /nfs/dbraw/zinc/00/14/59/1105001459.db2.gz RUHWYESBKYEFOP-QGZVFWFLSA-N 1 1 309.381 3.087 20 10 DGCDMO C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248883772 1105186808 /nfs/dbraw/zinc/18/68/08/1105186808.db2.gz PZQJYFQWAIBIDQ-STQMWFEESA-N 1 1 308.853 3.231 20 10 DGCDMO COC(=O)Cc1ccc(C[N@@H+](C)Cc2ccc(C)cc2)c(O)c1 ZINC001249201321 1105246057 /nfs/dbraw/zinc/24/60/57/1105246057.db2.gz OMZQOWFLUOGJEP-UHFFFAOYSA-N 1 1 313.397 3.048 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCCC1=O ZINC001249223446 1105249531 /nfs/dbraw/zinc/24/95/31/1105249531.db2.gz GPZZKZJBLJDXNT-ZDUSSCGKSA-N 1 1 315.413 3.377 20 10 DGCDMO CC1(C)C=Cc2c(O)c(C[N@@H+]3[C@@H]4CC[C@H]3CC(=O)C4)ccc2O1 ZINC001249230765 1105252487 /nfs/dbraw/zinc/25/24/87/1105252487.db2.gz SWQJHLYJAIWQLO-OKILXGFUSA-N 1 1 313.397 3.272 20 10 DGCDMO CCCOC1C[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249244790 1105256763 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CC[N@@H+](Cc1ccc(N(C)C)cc1)C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254963016 1106160897 /nfs/dbraw/zinc/16/08/97/1106160897.db2.gz GIPHTCKAFXMDPT-HZPDHXFCSA-N 1 1 300.446 3.332 20 10 DGCDMO Oc1cccc2c1CN([C@H]1CCC[N@H+](C3CCCC3)C1)CC2 ZINC001256923252 1106512925 /nfs/dbraw/zinc/51/29/25/1106512925.db2.gz QAQPCUBAUNPGDM-KRWDZBQOSA-N 1 1 300.446 3.157 20 10 DGCDMO Oc1cccc2c1C[N@@H+]([C@H]1CCCN(C3CCCC3)C1)CC2 ZINC001256923252 1106512927 /nfs/dbraw/zinc/51/29/27/1106512927.db2.gz QAQPCUBAUNPGDM-KRWDZBQOSA-N 1 1 300.446 3.157 20 10 DGCDMO Oc1cccc2c1C[N@H+]([C@H]1CCCN(C3CCCC3)C1)CC2 ZINC001256923252 1106512930 /nfs/dbraw/zinc/51/29/30/1106512930.db2.gz QAQPCUBAUNPGDM-KRWDZBQOSA-N 1 1 300.446 3.157 20 10 DGCDMO Oc1cccc2c1C[N@H+](C1CCN(c3ccccc3)CC1)CC2 ZINC001258515015 1106792972 /nfs/dbraw/zinc/79/29/72/1106792972.db2.gz CIQJQHQOZRWZDY-UHFFFAOYSA-N 1 1 308.425 3.419 20 10 DGCDMO CCCC[C@@H](CCC)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001258753352 1106955405 /nfs/dbraw/zinc/95/54/05/1106955405.db2.gz JCYYYVCTMNNGRP-CABCVRRESA-N 1 1 323.433 3.130 20 10 DGCDMO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC001321863031 1107451680 /nfs/dbraw/zinc/45/16/80/1107451680.db2.gz HKEKNXYNVNDGAP-SNVBAGLBSA-N 1 1 315.772 3.102 20 10 DGCDMO CCOC(=O)C[C@H]1CCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC001321863031 1107451686 /nfs/dbraw/zinc/45/16/86/1107451686.db2.gz HKEKNXYNVNDGAP-SNVBAGLBSA-N 1 1 315.772 3.102 20 10 DGCDMO CCOCc1cc(CN[C@H]2CCCC[C@H]2[NH+](C)C)ccc1OC ZINC001322714455 1107743396 /nfs/dbraw/zinc/74/33/96/1107743396.db2.gz QSWHLIHMPVJDCM-ZWKOTPCHSA-N 1 1 320.477 3.194 20 10 DGCDMO CC(C)O[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000701730236 1108981379 /nfs/dbraw/zinc/98/13/79/1108981379.db2.gz VDKVQYOYXMMPTD-ZDUSSCGKSA-N 1 1 314.223 3.154 20 10 DGCDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001304090077 1111165789 /nfs/dbraw/zinc/16/57/89/1111165789.db2.gz XILKWSJLWZRTEL-OKILXGFUSA-N 1 1 312.413 3.034 20 10 DGCDMO C[C@@H]1CCC[N@H+](CCNC/C=C/c2ccc(N(C)C)cc2)C1 ZINC001308200135 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CN(C)c1cccc(C[N@H+](C)Cc2cc(F)c(F)cc2O)c1 ZINC001308607315 1111450510 /nfs/dbraw/zinc/45/05/10/1111450510.db2.gz MJRYZUOHJKPDAE-UHFFFAOYSA-N 1 1 306.356 3.368 20 10 DGCDMO CN(C)c1cccc(C[N@@H+](C)Cc2cc(F)c(F)cc2O)c1 ZINC001308607315 1111450512 /nfs/dbraw/zinc/45/05/12/1111450512.db2.gz MJRYZUOHJKPDAE-UHFFFAOYSA-N 1 1 306.356 3.368 20 10 DGCDMO Cc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001308851422 1111484611 /nfs/dbraw/zinc/48/46/11/1111484611.db2.gz KXHWYDUTFOXHOA-UKRRQHHQSA-N 1 1 305.418 3.395 20 10 DGCDMO Cc1cc(CO)cc(C)c1C[NH2+]Cc1cc(F)c(F)cc1O ZINC001308947169 1111497766 /nfs/dbraw/zinc/49/77/66/1111497766.db2.gz GULYVBDJMVYEOD-UHFFFAOYSA-N 1 1 307.340 3.069 20 10 DGCDMO C[C@@H]1CC[C@@](CO)([NH2+]Cc2cccc(F)c2O)c2ccccc21 ZINC001308984022 1111505224 /nfs/dbraw/zinc/50/52/24/1111505224.db2.gz DOYHUCWORPQPMB-YJYMSZOUSA-N 1 1 315.388 3.406 20 10 DGCDMO CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)c2nccs2)c1O ZINC000079437223 185171479 /nfs/dbraw/zinc/17/14/79/185171479.db2.gz ZYJVSSWHXDQZGS-UHFFFAOYSA-N 1 1 308.378 3.215 20 10 DGCDMO COCC[N@@H+](Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000179560462 432063089 /nfs/dbraw/zinc/06/30/89/432063089.db2.gz XFXXNRSKRNHFEX-UHFFFAOYSA-N 1 1 301.386 3.049 20 10 DGCDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000179755844 432070462 /nfs/dbraw/zinc/07/04/62/432070462.db2.gz HYEIOFBPYDPRKW-GFCCVEGCSA-N 1 1 307.781 3.117 20 10 DGCDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000190219209 432133797 /nfs/dbraw/zinc/13/37/97/432133797.db2.gz MMFCVIJXAZAPEY-MRXNPFEDSA-N 1 1 313.825 3.039 20 10 DGCDMO O=C1CCC(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000290069095 296315855 /nfs/dbraw/zinc/31/58/55/296315855.db2.gz PXGJSSHRRJRLPY-GOSISDBHSA-N 1 1 317.429 3.133 20 10 DGCDMO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)c1 ZINC000273526990 130132182 /nfs/dbraw/zinc/13/21/82/130132182.db2.gz VMCJIAPVSVZCJJ-NHYWBVRUSA-N 1 1 307.340 3.363 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)c1 ZINC000273540895 130133682 /nfs/dbraw/zinc/13/36/82/130133682.db2.gz YFYZTQXERCCUQI-BONVTDFDSA-N 1 1 323.339 3.063 20 10 DGCDMO COCCC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CCC1 ZINC000273556271 130137286 /nfs/dbraw/zinc/13/72/86/130137286.db2.gz GXAQBDABHVNFIY-ZDUSSCGKSA-N 1 1 321.417 3.036 20 10 DGCDMO CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)c1ccncc1 ZINC000273587981 130140193 /nfs/dbraw/zinc/14/01/93/130140193.db2.gz OJKGYCIYYHIGNX-LRDDRELGSA-N 1 1 314.385 3.376 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CCCS2)c1 ZINC000273610411 130143911 /nfs/dbraw/zinc/14/39/11/130143911.db2.gz VQWDXPTZMNEXCJ-BZNIZROVSA-N 1 1 309.431 3.115 20 10 DGCDMO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(N(C)C)cc2)n1 ZINC000285879296 131207400 /nfs/dbraw/zinc/20/74/00/131207400.db2.gz ZJZLYEPOPOVHJW-INIZCTEOSA-N 1 1 300.406 3.171 20 10 DGCDMO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(N(C)C)cc2)n1 ZINC000285879296 131207401 /nfs/dbraw/zinc/20/74/01/131207401.db2.gz ZJZLYEPOPOVHJW-INIZCTEOSA-N 1 1 300.406 3.171 20 10 DGCDMO CCc1nn(C)c(OC)c1C[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000286055489 131217927 /nfs/dbraw/zinc/21/79/27/131217927.db2.gz LFOIFFZMWKGMAU-CQSZACIVSA-N 1 1 321.396 3.077 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ccc(NC(C)=O)nc1)c1ccc(F)cc1O ZINC000286378517 131234106 /nfs/dbraw/zinc/23/41/06/131234106.db2.gz ANULGXYTOXFJAU-OAHLLOKOSA-N 1 1 317.364 3.126 20 10 DGCDMO CCC[N@@H+](Cc1cnc([C@@H](C)O)s1)Cc1ccccc1O ZINC000289368179 131380142 /nfs/dbraw/zinc/38/01/42/131380142.db2.gz OTVSZNRGYIQJPH-GFCCVEGCSA-N 1 1 306.431 3.314 20 10 DGCDMO Cc1cccc(C[N@H+](C)Cc2nc(-c3cccs3)no2)c1O ZINC000289383226 131380821 /nfs/dbraw/zinc/38/08/21/131380821.db2.gz MQOFYXHMJPIAAF-UHFFFAOYSA-N 1 1 315.398 3.444 20 10 DGCDMO Cc1cccc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)c1O ZINC000289383226 131380823 /nfs/dbraw/zinc/38/08/23/131380823.db2.gz MQOFYXHMJPIAAF-UHFFFAOYSA-N 1 1 315.398 3.444 20 10 DGCDMO CCC[N@@H+](Cc1nc(-c2ccco2)no1)Cc1ccccc1O ZINC000299572067 132111863 /nfs/dbraw/zinc/11/18/63/132111863.db2.gz BPTVYUBTJRXLOQ-UHFFFAOYSA-N 1 1 313.357 3.447 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](CCOC(C)(C)C)CC2)cc1 ZINC000068322629 400252154 /nfs/dbraw/zinc/25/21/54/400252154.db2.gz WIXGANHQIFVVFA-UHFFFAOYSA-N 1 1 306.450 3.022 20 10 DGCDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)cn1 ZINC000083113895 401111019 /nfs/dbraw/zinc/11/10/19/401111019.db2.gz KFFYJXOBQJWASQ-HNNXBMFYSA-N 1 1 321.424 3.344 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1n1ccnc1 ZINC000246773570 432164979 /nfs/dbraw/zinc/16/49/79/432164979.db2.gz PZHIOQPXSALXDU-SWLSCSKDSA-N 1 1 305.809 3.325 20 10 DGCDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2cccc(OC)c2O)o1 ZINC000137064488 432169273 /nfs/dbraw/zinc/16/92/73/432169273.db2.gz YOGBZYMNVUJMJD-OAHLLOKOSA-N 1 1 317.385 3.477 20 10 DGCDMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177974451 228336394 /nfs/dbraw/zinc/33/63/94/228336394.db2.gz JPAVXLSUMFIYAD-MDZRGWNJSA-N 1 1 301.478 3.105 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2cccn2C)cc1OC ZINC000179598497 228352995 /nfs/dbraw/zinc/35/29/95/228352995.db2.gz SBCMQCHAARZWGO-OAHLLOKOSA-N 1 1 316.401 3.085 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1O ZINC000153841432 277105976 /nfs/dbraw/zinc/10/59/76/277105976.db2.gz JVURZQRSENETBP-QGZVFWFLSA-N 1 1 314.360 3.466 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1O ZINC000153841432 277105977 /nfs/dbraw/zinc/10/59/77/277105977.db2.gz JVURZQRSENETBP-QGZVFWFLSA-N 1 1 314.360 3.466 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000273610413 277160999 /nfs/dbraw/zinc/16/09/99/277160999.db2.gz VQWDXPTZMNEXCJ-MEDUHNTESA-N 1 1 309.431 3.115 20 10 DGCDMO COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1O ZINC000245551536 278011297 /nfs/dbraw/zinc/01/12/97/278011297.db2.gz BMAMFFRUWVKJKP-KSSFIOAISA-N 1 1 313.397 3.363 20 10 DGCDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCOC(C)(C)C1 ZINC000291624622 279234313 /nfs/dbraw/zinc/23/43/13/279234313.db2.gz RWOGZJZBIJASHA-CQSZACIVSA-N 1 1 323.433 3.189 20 10 DGCDMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000109770515 431180205 /nfs/dbraw/zinc/18/02/05/431180205.db2.gz ZTEDLBBKZZIQFG-HNNXBMFYSA-N 1 1 312.413 3.468 20 10 DGCDMO CC(C)n1ncc2cc(C[N@@H+](C)Cc3ccccc3O)cnc21 ZINC000111236337 431197789 /nfs/dbraw/zinc/19/77/89/431197789.db2.gz HGJBHQPHOWSQOV-UHFFFAOYSA-N 1 1 310.401 3.350 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(F)c1 ZINC000071004829 431269287 /nfs/dbraw/zinc/26/92/87/431269287.db2.gz DUZNXDSBNPXLFM-UHFFFAOYSA-N 1 1 314.404 3.294 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CCCCC1 ZINC000076074234 431525281 /nfs/dbraw/zinc/52/52/81/431525281.db2.gz LIMHURPOIQMMJB-HNNXBMFYSA-N 1 1 304.434 3.005 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000092780973 431912441 /nfs/dbraw/zinc/91/24/41/431912441.db2.gz GLTSBGHMGQDNPD-LJQANCHMSA-N 1 1 300.446 3.288 20 10 DGCDMO CCCOc1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c(O)c1 ZINC000093597915 431915912 /nfs/dbraw/zinc/91/59/12/431915912.db2.gz UVEPABHFFXGBBC-INIZCTEOSA-N 1 1 318.461 3.099 20 10 DGCDMO CCc1nnc([C@H](C)[NH2+][C@H](CC)c2ccc(N(C)C)cc2)[nH]1 ZINC000271443600 432397323 /nfs/dbraw/zinc/39/73/23/432397323.db2.gz FKTXFCXTMJXBLY-SWLSCSKDSA-N 1 1 301.438 3.235 20 10 DGCDMO C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(F)cc1O ZINC000184973210 432451482 /nfs/dbraw/zinc/45/14/82/432451482.db2.gz OQLXNUQSWQXFPP-ZDUSSCGKSA-N 1 1 315.392 3.377 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](OCC(C)C)C2)c1O ZINC000184702839 432423520 /nfs/dbraw/zinc/42/35/20/432423520.db2.gz RGKADWCWVXHXCB-CQSZACIVSA-N 1 1 313.825 3.301 20 10 DGCDMO CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185214985 432478266 /nfs/dbraw/zinc/47/82/66/432478266.db2.gz JGVJGIDMNABFRN-ZDUSSCGKSA-N 1 1 322.424 3.219 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(F)cc1O ZINC000185525334 432508573 /nfs/dbraw/zinc/50/85/73/432508573.db2.gz ANUYZHYPJAYBSM-UKRRQHHQSA-N 1 1 303.377 3.348 20 10 DGCDMO CC(=O)Nc1ccccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000155223992 432545263 /nfs/dbraw/zinc/54/52/63/432545263.db2.gz DXRVBJBYAKBLGW-UHFFFAOYSA-N 1 1 311.429 3.343 20 10 DGCDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000195198051 432610751 /nfs/dbraw/zinc/61/07/51/432610751.db2.gz KSPMADURAZGFIH-GOSISDBHSA-N 1 1 323.433 3.191 20 10 DGCDMO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1O ZINC000273467098 432602676 /nfs/dbraw/zinc/60/26/76/432602676.db2.gz DYVZOYUDAIGQAS-LLVKDONJSA-N 1 1 304.321 3.333 20 10 DGCDMO COc1cc(Cl)cc(CNCCC[NH+]2CCCCC2)c1O ZINC000228669965 432718994 /nfs/dbraw/zinc/71/89/94/432718994.db2.gz REUIGOYYMFRSDX-UHFFFAOYSA-N 1 1 312.841 3.020 20 10 DGCDMO CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000187701382 432677955 /nfs/dbraw/zinc/67/79/55/432677955.db2.gz UPPBXTYMJZSPLP-STQMWFEESA-N 1 1 312.404 3.441 20 10 DGCDMO CCNC(=O)C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000268303956 432862844 /nfs/dbraw/zinc/86/28/44/432862844.db2.gz OVNBSUMYBQCXIZ-OAHLLOKOSA-N 1 1 312.413 3.092 20 10 DGCDMO Cc1cc[nH+]c(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000268314218 432863408 /nfs/dbraw/zinc/86/34/08/432863408.db2.gz KYRMECRCIIGMHD-UHFFFAOYSA-N 1 1 315.392 3.102 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278270288 432890465 /nfs/dbraw/zinc/89/04/65/432890465.db2.gz RRQDXMBMKKICEV-UHFFFAOYSA-N 1 1 316.357 3.249 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Cl)c(Cl)cc1O ZINC000278332580 432892064 /nfs/dbraw/zinc/89/20/64/432892064.db2.gz WNZYDVOJKAGDLS-XUOSJQGZSA-N 1 1 318.122 3.273 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(SC)CCC2)c1 ZINC000279027852 432926674 /nfs/dbraw/zinc/92/66/74/432926674.db2.gz IECXRJOAHFRSJE-LLVKDONJSA-N 1 1 309.431 3.115 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccnc(N)c1 ZINC000278580226 432897034 /nfs/dbraw/zinc/89/70/34/432897034.db2.gz XZZKBVBGIPKKJB-UHFFFAOYSA-N 1 1 310.445 3.286 20 10 DGCDMO CC(C)[N@H+](Cc1ccccc1O)C[C@@H](O)COc1ccccc1 ZINC000278801921 432902720 /nfs/dbraw/zinc/90/27/20/432902720.db2.gz XSHYQJJRLPGMMT-QGZVFWFLSA-N 1 1 315.413 3.043 20 10 DGCDMO COc1c(O)c(C[NH2+][C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278917833 432916343 /nfs/dbraw/zinc/91/63/43/432916343.db2.gz ULQKVFKAKGWORG-LLVKDONJSA-N 1 1 302.330 3.160 20 10 DGCDMO COc1c(O)c(C[NH2+]C(C)(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278939765 432920016 /nfs/dbraw/zinc/92/00/16/432920016.db2.gz XLDOROHSUSJVNW-UHFFFAOYSA-N 1 1 316.357 3.334 20 10 DGCDMO CC(=O)c1cc(Cl)cc(Cn2c[nH+]c3c2CCCC3)c1O ZINC000296562129 432921802 /nfs/dbraw/zinc/92/18/02/432921802.db2.gz COZMPXKOPPLDRA-UHFFFAOYSA-N 1 1 304.777 3.372 20 10 DGCDMO CC[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc(C)cc1O ZINC000280233413 433020120 /nfs/dbraw/zinc/02/01/20/433020120.db2.gz VKSXAKOCNDAMPZ-SJLPKXTDSA-N 1 1 320.477 3.242 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)c1O ZINC000280487445 433060944 /nfs/dbraw/zinc/06/09/44/433060944.db2.gz ONCJRFICLFRQMY-FZMZJTMJSA-N 1 1 313.825 3.180 20 10 DGCDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)c1 ZINC000290928690 433208323 /nfs/dbraw/zinc/20/83/23/433208323.db2.gz ORRZCCRNTRDVSL-MRXNPFEDSA-N 1 1 307.397 3.497 20 10 DGCDMO OC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCC1(F)F ZINC000291317089 433234403 /nfs/dbraw/zinc/23/44/03/433234403.db2.gz SGADJDFJIVMZTN-MRXNPFEDSA-N 1 1 324.415 3.126 20 10 DGCDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000281188447 433268837 /nfs/dbraw/zinc/26/88/37/433268837.db2.gz RYPFJMXFJBYULA-MRXNPFEDSA-N 1 1 315.417 3.344 20 10 DGCDMO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1cc(OC)ccc1O ZINC000281188447 433268847 /nfs/dbraw/zinc/26/88/47/433268847.db2.gz RYPFJMXFJBYULA-MRXNPFEDSA-N 1 1 315.417 3.344 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000281575817 433315715 /nfs/dbraw/zinc/31/57/15/433315715.db2.gz CWESIHPTQDEOSA-QMTHXVAHSA-N 1 1 311.809 3.248 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1O ZINC000292796031 433595855 /nfs/dbraw/zinc/59/58/55/433595855.db2.gz MWHHQNLLOJRYOT-MRXNPFEDSA-N 1 1 305.418 3.039 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CSCCS1 ZINC000293511465 433767255 /nfs/dbraw/zinc/76/72/55/433767255.db2.gz CFMBKUNWZZBTGF-VIFPVBQESA-N 1 1 307.843 3.123 20 10 DGCDMO Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)c(C)c2)n1 ZINC000293635709 433812774 /nfs/dbraw/zinc/81/27/74/433812774.db2.gz RJSAFRRFAOTFON-INIZCTEOSA-N 1 1 300.406 3.090 20 10 DGCDMO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)C)c(C)c2)n1 ZINC000293635709 433812782 /nfs/dbraw/zinc/81/27/82/433812782.db2.gz RJSAFRRFAOTFON-INIZCTEOSA-N 1 1 300.406 3.090 20 10 DGCDMO CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(F)cc1O ZINC000285791347 434066774 /nfs/dbraw/zinc/06/67/74/434066774.db2.gz USHYUERWQUBCDO-HUUCEWRRSA-N 1 1 303.381 3.383 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1n1ccnc1 ZINC000294434603 434111891 /nfs/dbraw/zinc/11/18/91/434111891.db2.gz XNEGPKNLIXEQKY-IAQYHMDHSA-N 1 1 323.799 3.464 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1n1ccnc1 ZINC000294434603 434111901 /nfs/dbraw/zinc/11/19/01/434111901.db2.gz XNEGPKNLIXEQKY-IAQYHMDHSA-N 1 1 323.799 3.464 20 10 DGCDMO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(N(C)C)cc1 ZINC000296118637 434515434 /nfs/dbraw/zinc/51/54/34/434515434.db2.gz ZZISIFJCXOFLKG-DQXYTYHJSA-N 1 1 301.478 3.419 20 10 DGCDMO C[C@H](CO)[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296115445 434516285 /nfs/dbraw/zinc/51/62/85/434516285.db2.gz SSMOOGJQKWYJMD-CQSZACIVSA-N 1 1 304.459 3.197 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccc(F)cc1O ZINC000367602263 434553314 /nfs/dbraw/zinc/55/33/14/434553314.db2.gz SFFAQBSMZAUJMB-CGTJXYLNSA-N 1 1 301.361 3.230 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000367684782 434554559 /nfs/dbraw/zinc/55/45/59/434554559.db2.gz LLVGFASPQICZQO-HZPDHXFCSA-N 1 1 319.445 3.430 20 10 DGCDMO OC[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000368270086 434570628 /nfs/dbraw/zinc/57/06/28/434570628.db2.gz RQCRBQXGBITCSH-GOSISDBHSA-N 1 1 317.816 3.182 20 10 DGCDMO C[C@H](C[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O)C1CCCCC1 ZINC000530109160 313321519 /nfs/dbraw/zinc/32/15/19/313321519.db2.gz WTVOKDWRFHKUPO-ACJLOTCBSA-N 1 1 319.445 3.466 20 10 DGCDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000295170909 335130701 /nfs/dbraw/zinc/13/07/01/335130701.db2.gz UGCFUPDAWOCLHS-QGZVFWFLSA-N 1 1 315.413 3.174 20 10 DGCDMO CC(C)(C)OCc1cc(C[NH2+]Cc2cc(F)ccc2O)no1 ZINC000188659217 518884332 /nfs/dbraw/zinc/88/43/32/518884332.db2.gz OEFBTLLQHRKPLT-UHFFFAOYSA-N 1 1 308.353 3.124 20 10 DGCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000124236575 519873517 /nfs/dbraw/zinc/87/35/17/519873517.db2.gz BIMHMUWLPPQWJL-ZDUSSCGKSA-N 1 1 324.852 3.174 20 10 DGCDMO CCCO[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000180180256 520284562 /nfs/dbraw/zinc/28/45/62/520284562.db2.gz KGBZQDQAAUDYJB-HNNXBMFYSA-N 1 1 323.433 3.191 20 10 DGCDMO CCCOc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c(O)c1 ZINC000130014371 520345535 /nfs/dbraw/zinc/34/55/35/520345535.db2.gz WVZNTIPURUZBMJ-CQSZACIVSA-N 1 1 305.418 3.182 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(OC)cc2)c1O ZINC000159858804 521332097 /nfs/dbraw/zinc/33/20/97/521332097.db2.gz OQNXBGRXAHPZGE-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(F)ccc2O)c1C ZINC000179885449 524590768 /nfs/dbraw/zinc/59/07/68/524590768.db2.gz GTZRPIVGTBZUNR-UHFFFAOYSA-N 1 1 316.376 3.219 20 10 DGCDMO Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(F)ccc2O)c1C ZINC000179885449 524590776 /nfs/dbraw/zinc/59/07/76/524590776.db2.gz GTZRPIVGTBZUNR-UHFFFAOYSA-N 1 1 316.376 3.219 20 10 DGCDMO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)c1 ZINC000180443453 524747492 /nfs/dbraw/zinc/74/74/92/524747492.db2.gz PVBMZKRVASENFX-KDOFPFPSSA-N 1 1 313.397 3.363 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)c1 ZINC000180443453 524747501 /nfs/dbraw/zinc/74/75/01/524747501.db2.gz PVBMZKRVASENFX-KDOFPFPSSA-N 1 1 313.397 3.363 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc([C@H](C)OC)n2)c1 ZINC000182393125 524766485 /nfs/dbraw/zinc/76/64/85/524766485.db2.gz XVPMLCAXGDENGD-MNOVXSKESA-N 1 1 322.430 3.416 20 10 DGCDMO C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1ccc(F)cc1O ZINC000187927198 525363848 /nfs/dbraw/zinc/36/38/48/525363848.db2.gz BNFNMBDRVCYIMU-SCLBCKFNSA-N 1 1 303.377 3.480 20 10 DGCDMO Cc1cc(Br)cc(C[N@@H+](C)Cc2cccnc2)c1O ZINC000182035193 526157877 /nfs/dbraw/zinc/15/78/77/526157877.db2.gz UJFDWRSTUCXWQN-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO CC[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(F)cc1O ZINC000286034361 535803392 /nfs/dbraw/zinc/80/33/92/535803392.db2.gz KGIVZDADAXDDJP-MRXNPFEDSA-N 1 1 322.424 3.411 20 10 DGCDMO CC[C@@H]([NH2+]CCCC(=O)N(CC)CC)c1ccc(F)cc1O ZINC000285887351 535803516 /nfs/dbraw/zinc/80/35/16/535803516.db2.gz ZVWYSKGYVCVVPF-OAHLLOKOSA-N 1 1 310.413 3.221 20 10 DGCDMO CCOCc1cc(CN[C@@H](C)C[NH+]2CCCCC2)ccc1OC ZINC000731449108 574549631 /nfs/dbraw/zinc/54/96/31/574549631.db2.gz PCYWJAQZOISCGX-INIZCTEOSA-N 1 1 320.477 3.196 20 10 DGCDMO CC(C)(C)OC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731848138 574560394 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Oc1ccc(Cl)c(F)c1C[NH2+]CCOC1CCSCC1 ZINC000898438603 619275158 /nfs/dbraw/zinc/27/51/58/619275158.db2.gz CWWIYIWYJAYSSA-UHFFFAOYSA-N 1 1 319.829 3.187 20 10 DGCDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3cc(C)cc(C)c3O)C2)n1 ZINC000902584575 619657472 /nfs/dbraw/zinc/65/74/72/619657472.db2.gz MXIVBNDBZQPPLB-OAHLLOKOSA-N 1 1 315.417 3.155 20 10 DGCDMO CC[C@@H]([NH2+][C@@H](c1nncn1C)C(C)C)c1ccc(F)cc1O ZINC000903063017 619708501 /nfs/dbraw/zinc/70/85/01/619708501.db2.gz AXTIGQCOPZPVFJ-UKRRQHHQSA-N 1 1 306.385 3.098 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccc(F)cc1O ZINC000903179566 619731370 /nfs/dbraw/zinc/73/13/70/619731370.db2.gz QRKWEUKMYXKFHD-GMOODISLSA-N 1 1 307.287 3.292 20 10 DGCDMO C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1c(O)cccc1F ZINC000903240622 619742862 /nfs/dbraw/zinc/74/28/62/619742862.db2.gz VUSXYZULLFTVIW-LBPRGKRZSA-N 1 1 303.381 3.379 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)c1ccc(F)cc1O ZINC000903271662 619750194 /nfs/dbraw/zinc/75/01/94/619750194.db2.gz JZSGKFFHLVYRCR-XHSDSOJGSA-N 1 1 324.465 3.152 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cncs2)c1 ZINC000903309340 619756968 /nfs/dbraw/zinc/75/69/68/619756968.db2.gz DOXQEMSNBDQEGX-VHSXEESVSA-N 1 1 306.387 3.047 20 10 DGCDMO C[C@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1c(O)cccc1F ZINC000903310561 619757509 /nfs/dbraw/zinc/75/75/09/619757509.db2.gz ZJHORLBYZAUXGK-APPDUMDISA-N 1 1 307.340 3.229 20 10 DGCDMO CN(C)CC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000903381374 619768593 /nfs/dbraw/zinc/76/85/93/619768593.db2.gz WBCQKNTVVGNJGZ-SJORKVTESA-N 1 1 311.429 3.057 20 10 DGCDMO CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(F)cc1O ZINC000903440798 619775764 /nfs/dbraw/zinc/77/57/64/619775764.db2.gz UGKMKYOJKXGZFQ-JFIYKMOQSA-N 1 1 301.361 3.230 20 10 DGCDMO Cc1cc([C@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000903449641 619778537 /nfs/dbraw/zinc/77/85/37/619778537.db2.gz YYANMBCZEXWNKR-KBXCAEBGSA-N 1 1 316.449 3.003 20 10 DGCDMO Cc1cc(Cl)cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841086266 620226699 /nfs/dbraw/zinc/22/66/99/620226699.db2.gz GWMRLOOMHJDTEW-XJKSGUPXSA-N 1 1 308.853 3.318 20 10 DGCDMO CCN(CC)c1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000152081016 620490587 /nfs/dbraw/zinc/49/05/87/620490587.db2.gz DTVWEKWOXPOSFW-DLBZAZTESA-N 1 1 319.468 3.388 20 10 DGCDMO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000788047868 620600302 /nfs/dbraw/zinc/60/03/02/620600302.db2.gz NWYYKPBUDDLNKT-LBPRGKRZSA-N 1 1 324.380 3.002 20 10 DGCDMO COc1cc(Br)cc(C[N@H+]2C[C@H](C)[C@@H]2C)c1O ZINC000816648604 620891342 /nfs/dbraw/zinc/89/13/42/620891342.db2.gz MQFAVBZKJROALB-IUCAKERBSA-N 1 1 300.196 3.004 20 10 DGCDMO CC(C)[N@@H+]1CCC[C@H](CNCc2ccc3c(c2)CCCO3)C1 ZINC000921688740 620934304 /nfs/dbraw/zinc/93/43/04/620934304.db2.gz DICHBQVDQZKRBJ-QGZVFWFLSA-N 1 1 302.462 3.222 20 10 DGCDMO CC(C)[N@H+]1CCC[C@H](CNCc2ccc3c(c2)CCCO3)C1 ZINC000921688740 620934306 /nfs/dbraw/zinc/93/43/06/620934306.db2.gz DICHBQVDQZKRBJ-QGZVFWFLSA-N 1 1 302.462 3.222 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(Br)c(F)cc1O ZINC000756354391 620959940 /nfs/dbraw/zinc/95/99/40/620959940.db2.gz AAWFCEJQEUXFDM-RKDXNWHRSA-N 1 1 318.186 3.123 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)cc1F ZINC000857061899 621053099 /nfs/dbraw/zinc/05/30/99/621053099.db2.gz WIQPMBMSOPGPBK-ZBFHGGJFSA-N 1 1 308.441 3.122 20 10 DGCDMO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1cc(C)ccc1O ZINC000857068975 621054375 /nfs/dbraw/zinc/05/43/75/621054375.db2.gz JZIVCNXJGZBJLB-UHFFFAOYSA-N 1 1 300.402 3.353 20 10 DGCDMO CN(C)c1ccc(/C=C/C[NH2+][C@@H](c2ncccn2)C2CC2)cc1 ZINC000922577267 621060074 /nfs/dbraw/zinc/06/00/74/621060074.db2.gz PNVZGCDMGIQABJ-YWPBOTNQSA-N 1 1 308.429 3.297 20 10 DGCDMO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000857757940 621117920 /nfs/dbraw/zinc/11/79/20/621117920.db2.gz XQBPYXZWVCXMOD-CVEARBPZSA-N 1 1 319.493 3.268 20 10 DGCDMO Cc1cc(O)c(C[NH2+]Cc2cc(C3CC3)n(C)n2)c(Cl)c1 ZINC000922953243 621135123 /nfs/dbraw/zinc/13/51/23/621135123.db2.gz PIGOFFSJCSGNHM-UHFFFAOYSA-N 1 1 305.809 3.255 20 10 DGCDMO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)nc1 ZINC000858010998 621144081 /nfs/dbraw/zinc/14/40/81/621144081.db2.gz ITMNRIVOMLXJAG-SFHVURJKSA-N 1 1 311.429 3.109 20 10 DGCDMO C[N@@H+]1CC[C@@H](NCc2ccc(N3CCCC3)cc2)CC1(C)C ZINC000858094770 621152066 /nfs/dbraw/zinc/15/20/66/621152066.db2.gz RVDKFTJZHQNULA-QGZVFWFLSA-N 1 1 301.478 3.249 20 10 DGCDMO C[N@H+]1CC[C@@H](NCc2ccc(N3CCCC3)cc2)CC1(C)C ZINC000858094770 621152067 /nfs/dbraw/zinc/15/20/67/621152067.db2.gz RVDKFTJZHQNULA-QGZVFWFLSA-N 1 1 301.478 3.249 20 10 DGCDMO CN1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1(C)C ZINC000858094770 621152068 /nfs/dbraw/zinc/15/20/68/621152068.db2.gz RVDKFTJZHQNULA-QGZVFWFLSA-N 1 1 301.478 3.249 20 10 DGCDMO CN(C)c1cc(F)c(C[NH2+]Cc2ccc(Cl)nc2)cc1F ZINC000858100952 621152910 /nfs/dbraw/zinc/15/29/10/621152910.db2.gz UFSBYEJZHWPPPQ-UHFFFAOYSA-N 1 1 311.763 3.369 20 10 DGCDMO Cc1ccccc1[C@@H](CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858147917 621158311 /nfs/dbraw/zinc/15/83/11/621158311.db2.gz DQCUQHBMZRLLQA-QGZVFWFLSA-N 1 1 320.383 3.162 20 10 DGCDMO Cc1ccc(O)c(C[NH2+]Cc2cnn(-c3cc(C)cc(C)c3)n2)c1 ZINC000858239910 621167031 /nfs/dbraw/zinc/16/70/31/621167031.db2.gz WJTPGIBZDLIMOP-UHFFFAOYSA-N 1 1 322.412 3.188 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccns2)c1 ZINC000858577052 621206205 /nfs/dbraw/zinc/20/62/05/621206205.db2.gz OIRPFNXGDPJSKS-UWVGGRQHSA-N 1 1 306.387 3.047 20 10 DGCDMO CO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)C12CCC2 ZINC000839189652 621346254 /nfs/dbraw/zinc/34/62/54/621346254.db2.gz BHAKAHVSWZGGGG-CABCVRRESA-N 1 1 323.820 3.295 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC000839193160 621347481 /nfs/dbraw/zinc/34/74/81/621347481.db2.gz ZCYLQKBDLPWABS-JTQLQIEISA-N 1 1 324.222 3.047 20 10 DGCDMO COc1ccnc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1OC ZINC000789385704 625482152 /nfs/dbraw/zinc/48/21/52/625482152.db2.gz DYYHUESWYXVMAD-ZDUSSCGKSA-N 1 1 315.417 3.016 20 10 DGCDMO COc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1F ZINC000753857678 621469350 /nfs/dbraw/zinc/46/93/50/621469350.db2.gz OMGWDPYYMXQVGR-UHFFFAOYSA-N 1 1 318.367 3.296 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c1O ZINC000754566977 621517215 /nfs/dbraw/zinc/51/72/15/621517215.db2.gz NCWLZBDHPMJWMW-JQWIXIFHSA-N 1 1 311.809 3.153 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCC1OCCCO1)C1CCCC1 ZINC000754656977 621523031 /nfs/dbraw/zinc/52/30/31/621523031.db2.gz QDVBDJWCDALNLV-UHFFFAOYSA-N 1 1 305.418 3.290 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1O ZINC000754736216 621529292 /nfs/dbraw/zinc/52/92/92/621529292.db2.gz INZUWIGAHCMAFV-SFHVURJKSA-N 1 1 305.418 3.102 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1F ZINC000862218377 621562810 /nfs/dbraw/zinc/56/28/10/621562810.db2.gz KSLXAHPMUYCUIE-GFCCVEGCSA-N 1 1 310.388 3.032 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1F ZINC000862228183 621563775 /nfs/dbraw/zinc/56/37/75/621563775.db2.gz MVBWNQBSJPEOIG-GFCCVEGCSA-N 1 1 320.387 3.134 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1F ZINC000862359288 621577844 /nfs/dbraw/zinc/57/78/44/621577844.db2.gz HZZGSBFIGKCZAF-KRWDZBQOSA-N 1 1 310.388 3.033 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1F ZINC000862398290 621584606 /nfs/dbraw/zinc/58/46/06/621584606.db2.gz DMQLHRFMMJIRAZ-AWEZNQCLSA-N 1 1 317.383 3.415 20 10 DGCDMO CN(C)c1cc(F)c(C[NH+]2CCC(c3ccon3)CC2)cc1F ZINC000862419962 621587972 /nfs/dbraw/zinc/58/79/72/621587972.db2.gz VIBNLVNIPNFMMR-UHFFFAOYSA-N 1 1 321.371 3.398 20 10 DGCDMO COc1c(O)c(C[NH2+]CC[C@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000862498473 621596079 /nfs/dbraw/zinc/59/60/79/621596079.db2.gz JSEJCYSKXUATLI-LBPRGKRZSA-N 1 1 306.362 3.145 20 10 DGCDMO Cc1cc(O)c(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)cc1C ZINC000862540361 621598253 /nfs/dbraw/zinc/59/82/53/621598253.db2.gz CZTFMPLYNCUFDB-AWEZNQCLSA-N 1 1 322.449 3.354 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](c3ccc(F)cc3)C1)OCO2 ZINC000755928541 621604401 /nfs/dbraw/zinc/60/44/01/621604401.db2.gz YGXHUAAJYSITJD-CYBMUJFWSA-N 1 1 315.344 3.250 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccc(F)cc1O ZINC000756340346 621629117 /nfs/dbraw/zinc/62/91/17/621629117.db2.gz DWWUSEKJJQTFQI-RHSMWYFYSA-N 1 1 316.420 3.355 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2ccccc2C)c1 ZINC000756356455 621630464 /nfs/dbraw/zinc/63/04/64/621630464.db2.gz DFMAVKCYKDYMQA-CQSZACIVSA-N 1 1 313.397 3.381 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc(F)cc(F)c1O ZINC000756402726 621635664 /nfs/dbraw/zinc/63/56/64/621635664.db2.gz OFJXHUCIQTWUCA-YMTOWFKASA-N 1 1 307.344 3.132 20 10 DGCDMO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756459493 621639898 /nfs/dbraw/zinc/63/98/98/621639898.db2.gz NWJIRRQZJCSGHS-BMIGLBTASA-N 1 1 323.339 3.063 20 10 DGCDMO C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000756489242 621641504 /nfs/dbraw/zinc/64/15/04/621641504.db2.gz HKVODXIQUGIXAP-NSHDSACASA-N 1 1 310.388 3.338 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(F)cc2F)c1 ZINC000756494484 621641985 /nfs/dbraw/zinc/64/19/85/621641985.db2.gz FKSRZVJERYWICG-SNVBAGLBSA-N 1 1 321.323 3.308 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2cccc(C)c2)c1 ZINC000756511212 621643900 /nfs/dbraw/zinc/64/39/00/621643900.db2.gz MIKBCDLZWTWLFC-AWEZNQCLSA-N 1 1 313.397 3.381 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nc(C)cs2)c1 ZINC000756533759 621645846 /nfs/dbraw/zinc/64/58/46/621645846.db2.gz IBQFUOSITGUTAB-MNOVXSKESA-N 1 1 320.414 3.356 20 10 DGCDMO CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)C1CCOCC1 ZINC000756628513 621654127 /nfs/dbraw/zinc/65/41/27/621654127.db2.gz NKSOGWOSFKRRDD-LRDDRELGSA-N 1 1 321.417 3.035 20 10 DGCDMO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756638662 621655227 /nfs/dbraw/zinc/65/52/27/621655227.db2.gz VQOUDIIREAYHGU-MEDUHNTESA-N 1 1 307.340 3.363 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC(F)(F)C2)c1 ZINC000756764356 621662588 /nfs/dbraw/zinc/66/25/88/621662588.db2.gz HATXSAUPVMBEHE-ZYHUDNBSSA-N 1 1 313.344 3.407 20 10 DGCDMO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756768194 621663439 /nfs/dbraw/zinc/66/34/39/621663439.db2.gz BCUUXFKPHZWBEZ-SNVBAGLBSA-N 1 1 323.387 3.380 20 10 DGCDMO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756768191 621663570 /nfs/dbraw/zinc/66/35/70/621663570.db2.gz BCUUXFKPHZWBEZ-JTQLQIEISA-N 1 1 323.387 3.380 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000863547724 621683228 /nfs/dbraw/zinc/68/32/28/621683228.db2.gz WQGGQLHOTVELIB-KPXOXKRLSA-N 1 1 303.233 3.490 20 10 DGCDMO Cc1nnc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000757636962 621730049 /nfs/dbraw/zinc/73/00/49/621730049.db2.gz FUAOVCVQGOTBQQ-SNVBAGLBSA-N 1 1 303.431 3.282 20 10 DGCDMO CN(C)c1ccc(CN2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000119884937 621746903 /nfs/dbraw/zinc/74/69/03/621746903.db2.gz RMLKKYLYLARRNV-UHFFFAOYSA-N 1 1 315.486 3.132 20 10 DGCDMO Nc1ccc(-n2cc(C[NH2+][C@H]3CCCc4ccccc43)nn2)cc1 ZINC000864619185 621792444 /nfs/dbraw/zinc/79/24/44/621792444.db2.gz AROKPTQLMDSNIK-IBGZPJMESA-N 1 1 319.412 3.017 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000789545423 625521415 /nfs/dbraw/zinc/52/14/15/625521415.db2.gz LJOIOJRWFVHBSU-IBGZPJMESA-N 1 1 319.445 3.398 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000865783056 621995007 /nfs/dbraw/zinc/99/50/07/621995007.db2.gz FTJZUFSVGGKGTB-RYUDHWBXSA-N 1 1 313.800 3.337 20 10 DGCDMO CN(C)c1ccc(/C=C/C[NH2+]Cc2nn(C)cc2C(F)F)cc1 ZINC000865806521 621998491 /nfs/dbraw/zinc/99/84/91/621998491.db2.gz BINWHSBNBAFYCU-SNAWJCMRSA-N 1 1 320.387 3.227 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1ccc(F)cc1O ZINC000866563004 622138911 /nfs/dbraw/zinc/13/89/11/622138911.db2.gz IMNVLWLHCNVZJX-PXAZEXFGSA-N 1 1 300.377 3.369 20 10 DGCDMO CC1(C)CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000121135563 622144924 /nfs/dbraw/zinc/14/49/24/622144924.db2.gz SWHOQSXPEOANDI-UHFFFAOYSA-N 1 1 306.425 3.284 20 10 DGCDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2c(O)cccc2Cl)cc1 ZINC000121166992 622155536 /nfs/dbraw/zinc/15/55/36/622155536.db2.gz UUBLQFVAYXEABR-UHFFFAOYSA-N 1 1 318.804 3.037 20 10 DGCDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C)c1ccccc1O ZINC000868249034 622228116 /nfs/dbraw/zinc/22/81/16/622228116.db2.gz IJHRRSHCKNNHLV-CABCVRRESA-N 1 1 319.449 3.017 20 10 DGCDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000122188798 622251935 /nfs/dbraw/zinc/25/19/35/622251935.db2.gz CILOFOQQKJJCII-NSHDSACASA-N 1 1 303.333 3.453 20 10 DGCDMO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1[NH3+] ZINC000122269084 622275193 /nfs/dbraw/zinc/27/51/93/622275193.db2.gz RMBLKQAFSIOOPO-ZANVPECISA-N 1 1 303.233 3.258 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1[NH3+] ZINC000122269084 622275197 /nfs/dbraw/zinc/27/51/97/622275197.db2.gz RMBLKQAFSIOOPO-ZANVPECISA-N 1 1 303.233 3.258 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)CCN1CC(F)F ZINC000765719753 622283828 /nfs/dbraw/zinc/28/38/28/622283828.db2.gz YXPPCSAGYJCIKR-OAHLLOKOSA-N 1 1 312.404 3.170 20 10 DGCDMO Cc1nccn1CC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000766249025 622314840 /nfs/dbraw/zinc/31/48/40/622314840.db2.gz GTWTXJNMQXDAPA-UHFFFAOYSA-N 1 1 311.385 3.193 20 10 DGCDMO Cc1c(C[N@H+](Cc2ccco2)Cc2ccccc2O)cnn1C ZINC000766885845 622359172 /nfs/dbraw/zinc/35/91/72/622359172.db2.gz XOIXUKNXIKLQKN-UHFFFAOYSA-N 1 1 311.385 3.230 20 10 DGCDMO Cc1c(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cnn1C ZINC000766885845 622359173 /nfs/dbraw/zinc/35/91/73/622359173.db2.gz XOIXUKNXIKLQKN-UHFFFAOYSA-N 1 1 311.385 3.230 20 10 DGCDMO CCN(CC)c1ccc(CN2CCC[N@H+](C(C)C)CC2)cc1 ZINC000768138766 622441521 /nfs/dbraw/zinc/44/15/21/622441521.db2.gz TZVAPSALMNZQBB-UHFFFAOYSA-N 1 1 303.494 3.449 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCCN(C(C)C)CC2)cc1 ZINC000768138766 622441523 /nfs/dbraw/zinc/44/15/23/622441523.db2.gz TZVAPSALMNZQBB-UHFFFAOYSA-N 1 1 303.494 3.449 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCCN(C(C)C)CC2)cc1 ZINC000768138766 622441524 /nfs/dbraw/zinc/44/15/24/622441524.db2.gz TZVAPSALMNZQBB-UHFFFAOYSA-N 1 1 303.494 3.449 20 10 DGCDMO COc1cccc(O)c1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000768215680 622445911 /nfs/dbraw/zinc/44/59/11/622445911.db2.gz KYEROVHWHXLWEW-UHFFFAOYSA-N 1 1 311.381 3.396 20 10 DGCDMO CN(C(=O)C[N@H+](C)Cc1cc(Cl)ccc1O)C1CCCCC1 ZINC000768303479 622449274 /nfs/dbraw/zinc/44/92/74/622449274.db2.gz RZTWQTBUDFGKEC-UHFFFAOYSA-N 1 1 324.852 3.269 20 10 DGCDMO CN(C(=O)C[N@@H+](C)Cc1cc(Cl)ccc1O)C1CCCCC1 ZINC000768303479 622449275 /nfs/dbraw/zinc/44/92/75/622449275.db2.gz RZTWQTBUDFGKEC-UHFFFAOYSA-N 1 1 324.852 3.269 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2cc(C)no2)cc1OC ZINC000768438634 622455542 /nfs/dbraw/zinc/45/55/42/622455542.db2.gz DAVAPBXOZOWYTN-ZDUSSCGKSA-N 1 1 318.373 3.043 20 10 DGCDMO C[C@H](C[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O)c1ccccc1 ZINC000768449039 622457051 /nfs/dbraw/zinc/45/70/51/622457051.db2.gz DARQYBBEQLIJHF-ACJLOTCBSA-N 1 1 313.397 3.054 20 10 DGCDMO COc1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c(O)cc1C ZINC000768445679 622457084 /nfs/dbraw/zinc/45/70/84/622457084.db2.gz IBNWETGDVBBHRC-KRWDZBQOSA-N 1 1 318.461 3.160 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC3(C1)CCOCC3)CCCC2 ZINC000768465806 622458036 /nfs/dbraw/zinc/45/80/36/622458036.db2.gz LWXUAVFFQAWKDU-UHFFFAOYSA-N 1 1 301.430 3.274 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c(O)cc1C ZINC000768464171 622458292 /nfs/dbraw/zinc/45/82/92/622458292.db2.gz OAGUOJVDMFJPRA-GOSISDBHSA-N 1 1 305.418 3.102 20 10 DGCDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000123195005 622480393 /nfs/dbraw/zinc/48/03/93/622480393.db2.gz KHIWMKZHRHLWFY-QGZVFWFLSA-N 1 1 316.445 3.062 20 10 DGCDMO COc1cccc(CN2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1O ZINC000768913686 622484931 /nfs/dbraw/zinc/48/49/31/622484931.db2.gz PGUJOTPLZKHFEI-UXLLHSPISA-N 1 1 318.461 3.238 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCc3ccc(O)cc3CC2)c(O)c1 ZINC000769191866 622506853 /nfs/dbraw/zinc/50/68/53/622506853.db2.gz QZLHVJBIFBTIOM-UHFFFAOYSA-N 1 1 313.397 3.097 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1C ZINC000769325783 622517720 /nfs/dbraw/zinc/51/77/20/622517720.db2.gz BCMTVDBBKRYIRI-HNNXBMFYSA-N 1 1 305.418 3.315 20 10 DGCDMO OCCC[N@@H+](Cc1ccccc1)Cc1c(O)cccc1Cl ZINC000769326355 622518329 /nfs/dbraw/zinc/51/83/29/622518329.db2.gz KFXUASROYMVXFE-UHFFFAOYSA-N 1 1 305.805 3.430 20 10 DGCDMO CCn1cc(C[N@H+](C)Cc2cccc(Br)c2O)cn1 ZINC000769426745 622527368 /nfs/dbraw/zinc/52/73/68/622527368.db2.gz HOFDMPNZSAVOJQ-UHFFFAOYSA-N 1 1 324.222 3.003 20 10 DGCDMO CCn1cc(C[N@@H+](C)Cc2cccc(Br)c2O)cn1 ZINC000769426745 622527370 /nfs/dbraw/zinc/52/73/70/622527370.db2.gz HOFDMPNZSAVOJQ-UHFFFAOYSA-N 1 1 324.222 3.003 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)c1 ZINC000769469587 622530115 /nfs/dbraw/zinc/53/01/15/622530115.db2.gz AOIRVRAZZOMTDU-GDBMZVCRSA-N 1 1 306.450 3.096 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)c1 ZINC000769469587 622530118 /nfs/dbraw/zinc/53/01/18/622530118.db2.gz AOIRVRAZZOMTDU-GDBMZVCRSA-N 1 1 306.450 3.096 20 10 DGCDMO CCOc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(O)c1 ZINC000769477881 622531898 /nfs/dbraw/zinc/53/18/98/622531898.db2.gz BBPKFGVBCLZKMC-SJORKVTESA-N 1 1 318.461 3.238 20 10 DGCDMO CCOc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC000769498590 622534500 /nfs/dbraw/zinc/53/45/00/622534500.db2.gz MGTOGTAVNRPRIX-CQSZACIVSA-N 1 1 321.417 3.097 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC000769498590 622534504 /nfs/dbraw/zinc/53/45/04/622534504.db2.gz MGTOGTAVNRPRIX-CQSZACIVSA-N 1 1 321.417 3.097 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000769514291 622536671 /nfs/dbraw/zinc/53/66/71/622536671.db2.gz IUHPXLHSQTWUQL-ROUUACIJSA-N 1 1 302.462 3.391 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000769514404 622536795 /nfs/dbraw/zinc/53/67/95/622536795.db2.gz LYDOOKOLZRLEST-SJCJKPOMSA-N 1 1 319.426 3.424 20 10 DGCDMO COc1cccc(O)c1C[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000769514404 622536797 /nfs/dbraw/zinc/53/67/97/622536797.db2.gz LYDOOKOLZRLEST-SJCJKPOMSA-N 1 1 319.426 3.424 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)CCOCc2ccccc2)c(O)c1 ZINC000770305893 622619243 /nfs/dbraw/zinc/61/92/43/622619243.db2.gz MTEVCHVIHAEEBV-UHFFFAOYSA-N 1 1 315.413 3.440 20 10 DGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c(O)cccc2OC)C12CCC2 ZINC000770351758 622624149 /nfs/dbraw/zinc/62/41/49/622624149.db2.gz KQPQYVYPOSCQHC-SJORKVTESA-N 1 1 305.418 3.180 20 10 DGCDMO CCc1nnc(C[N@H+](Cc2ccccc2O)C2CCCC2)[nH]1 ZINC000771759835 622794931 /nfs/dbraw/zinc/79/49/31/622794931.db2.gz BOJGCGFEEXXNDZ-UHFFFAOYSA-N 1 1 300.406 3.018 20 10 DGCDMO CCc1nnc(C[N@@H+](Cc2ccccc2O)C2CCCC2)[nH]1 ZINC000771759835 622794933 /nfs/dbraw/zinc/79/49/33/622794933.db2.gz BOJGCGFEEXXNDZ-UHFFFAOYSA-N 1 1 300.406 3.018 20 10 DGCDMO Cc1nonc1C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000872135705 622827790 /nfs/dbraw/zinc/82/77/90/622827790.db2.gz HWJOKRXAJNLOOC-CYBMUJFWSA-N 1 1 300.406 3.219 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)cc1OC ZINC000872803609 622982514 /nfs/dbraw/zinc/98/25/14/622982514.db2.gz CGUZQBYPSRFQJV-CQSZACIVSA-N 1 1 319.323 3.184 20 10 DGCDMO CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000773757076 623068757 /nfs/dbraw/zinc/06/87/57/623068757.db2.gz YIFRJURBCFGZNN-VQIMIIECSA-N 1 1 303.494 3.447 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000773757076 623068764 /nfs/dbraw/zinc/06/87/64/623068764.db2.gz YIFRJURBCFGZNN-VQIMIIECSA-N 1 1 303.494 3.447 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000773805316 623074048 /nfs/dbraw/zinc/07/40/48/623074048.db2.gz SQSPCDAVOJCPNG-GOSISDBHSA-N 1 1 302.462 3.391 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC000773832304 623075867 /nfs/dbraw/zinc/07/58/67/623075867.db2.gz OSPWOZNYJMAJKO-QZTJIDSGSA-N 1 1 304.478 3.372 20 10 DGCDMO COCCOC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774254824 623124907 /nfs/dbraw/zinc/12/49/07/623124907.db2.gz RDVSQGHNURNERI-NXEZZACHSA-N 1 1 322.232 3.401 20 10 DGCDMO COCCOC[C@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774254828 623124961 /nfs/dbraw/zinc/12/49/61/623124961.db2.gz RDVSQGHNURNERI-VHSXEESVSA-N 1 1 322.232 3.401 20 10 DGCDMO COc1c(O)c(C[NH+](CC(C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000774822495 623196700 /nfs/dbraw/zinc/19/67/00/623196700.db2.gz YUGXPVIIDYLZFG-UHFFFAOYSA-N 1 1 310.394 3.423 20 10 DGCDMO CC[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774904293 623207035 /nfs/dbraw/zinc/20/70/35/623207035.db2.gz GIFKSIMDKDOQSE-ZDUSSCGKSA-N 1 1 308.378 3.464 20 10 DGCDMO CC[C@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774904293 623207038 /nfs/dbraw/zinc/20/70/38/623207038.db2.gz GIFKSIMDKDOQSE-ZDUSSCGKSA-N 1 1 308.378 3.464 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774982977 623213742 /nfs/dbraw/zinc/21/37/42/623213742.db2.gz HHJHRSUXMNYVDV-VXGBXAGGSA-N 1 1 308.378 3.225 20 10 DGCDMO CCC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775058977 623223306 /nfs/dbraw/zinc/22/33/06/623223306.db2.gz FYOVGQBVOQCXGE-CYBMUJFWSA-N 1 1 308.378 3.464 20 10 DGCDMO CCC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775058977 623223309 /nfs/dbraw/zinc/22/33/09/623223309.db2.gz FYOVGQBVOQCXGE-CYBMUJFWSA-N 1 1 308.378 3.464 20 10 DGCDMO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000775204414 623240938 /nfs/dbraw/zinc/24/09/38/623240938.db2.gz QGCJEBNNMWZIKG-AWEZNQCLSA-N 1 1 313.397 3.492 20 10 DGCDMO Cc1cc(N(C)C)ccc1CNc1cc[nH+]cc1Br ZINC000775476853 623278235 /nfs/dbraw/zinc/27/82/35/623278235.db2.gz IOMLCPAZQMNNJZ-UHFFFAOYSA-N 1 1 320.234 3.253 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)cc2)CC1 ZINC000775630584 623299992 /nfs/dbraw/zinc/29/99/92/623299992.db2.gz MHSAWJHTKRBFJB-FQEVSTJZSA-N 1 1 324.472 3.104 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)cc2)CC1 ZINC000775630584 623299994 /nfs/dbraw/zinc/29/99/94/623299994.db2.gz MHSAWJHTKRBFJB-FQEVSTJZSA-N 1 1 324.472 3.104 20 10 DGCDMO Oc1c(Cl)cccc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000775647932 623304108 /nfs/dbraw/zinc/30/41/08/623304108.db2.gz IDFGJOWHAWRATA-UHFFFAOYSA-N 1 1 308.853 3.496 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)cc2)CC1 ZINC000775660246 623307018 /nfs/dbraw/zinc/30/70/18/623307018.db2.gz BAGCJBDZDROWFW-UYAOXDASSA-N 1 1 313.489 3.203 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H]4CCC[C@H]43)cc2)CC1 ZINC000775660246 623307023 /nfs/dbraw/zinc/30/70/23/623307023.db2.gz BAGCJBDZDROWFW-UYAOXDASSA-N 1 1 313.489 3.203 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000775679247 623312213 /nfs/dbraw/zinc/31/22/13/623312213.db2.gz SAODZERKRJDTOB-IBGZPJMESA-N 1 1 313.397 3.364 20 10 DGCDMO Cc1cc(Br)cc(C[N@@H+]2CCSC[C@@H]2C)c1O ZINC000775696400 623315885 /nfs/dbraw/zinc/31/58/85/623315885.db2.gz KIWAAILOASVBNT-JTQLQIEISA-N 1 1 316.264 3.400 20 10 DGCDMO Cc1cccc(C[N@@H+](C)CCCNC(=O)OC(C)(C)C)c1O ZINC000775714611 623317913 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/nfs/dbraw/zinc/76/62/49/626766249.db2.gz IXIKTUDKRFRJLJ-JTQLQIEISA-N 1 1 314.223 3.154 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC(C)(C)O1 ZINC000133113157 626766252 /nfs/dbraw/zinc/76/62/52/626766252.db2.gz IXIKTUDKRFRJLJ-JTQLQIEISA-N 1 1 314.223 3.154 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000808450794 626826096 /nfs/dbraw/zinc/82/60/96/626826096.db2.gz AMQDXXBFWYTEDQ-SNVBAGLBSA-N 1 1 307.752 3.451 20 10 DGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c1O ZINC000808675595 626848247 /nfs/dbraw/zinc/84/82/47/626848247.db2.gz MNJPYPMPXMDGQZ-STQMWFEESA-N 1 1 308.853 3.489 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccc(F)cc1O ZINC000808729139 626854804 /nfs/dbraw/zinc/85/48/04/626854804.db2.gz HPZXXGLOIMUARK-YGRLFVJLSA-N 1 1 305.324 3.325 20 10 DGCDMO OCC[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1 ZINC000809546152 626918573 /nfs/dbraw/zinc/91/85/73/626918573.db2.gz XSFOQIVSIOWCQF-UHFFFAOYSA-N 1 1 322.452 3.206 20 10 DGCDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809651840 626932466 /nfs/dbraw/zinc/93/24/66/626932466.db2.gz BFWLDROJCNYQGU-UZLBHIALSA-N 1 1 322.452 3.204 20 10 DGCDMO CCC[N@@H+](CCN1CCCC1)Cc1cc(OCC)ccc1O ZINC000809700579 626938387 /nfs/dbraw/zinc/93/83/87/626938387.db2.gz JRLONRUNOJHGQJ-UHFFFAOYSA-N 1 1 306.450 3.099 20 10 DGCDMO CCCN(CC[NH+]1CCCC1)Cc1cc(OCC)ccc1O ZINC000809700579 626938389 /nfs/dbraw/zinc/93/83/89/626938389.db2.gz JRLONRUNOJHGQJ-UHFFFAOYSA-N 1 1 306.450 3.099 20 10 DGCDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809701400 626938855 /nfs/dbraw/zinc/93/88/55/626938855.db2.gz XMGSSYZFWYQRKE-GDBMZVCRSA-N 1 1 308.441 3.407 20 10 DGCDMO CCC[N@@H+](CCN1CCCCC1)Cc1cccc(OC)c1O ZINC000809705433 626939544 /nfs/dbraw/zinc/93/95/44/626939544.db2.gz UUFBGFOWOJCPTA-UHFFFAOYSA-N 1 1 306.450 3.099 20 10 DGCDMO CCCN(CC[NH+]1CCCCC1)Cc1cccc(OC)c1O ZINC000809705433 626939546 /nfs/dbraw/zinc/93/95/46/626939546.db2.gz UUFBGFOWOJCPTA-UHFFFAOYSA-N 1 1 306.450 3.099 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2COC(=O)NC(C)C)c1 ZINC000809720685 626941275 /nfs/dbraw/zinc/94/12/75/626941275.db2.gz KOWXZSYYHCQRRX-INIZCTEOSA-N 1 1 320.433 3.190 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC(C)C)c1O ZINC000809720412 626941354 /nfs/dbraw/zinc/94/13/54/626941354.db2.gz BUFHKQGTDZFKGW-INIZCTEOSA-N 1 1 320.433 3.190 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c1 ZINC000809720686 626941440 /nfs/dbraw/zinc/94/14/40/626941440.db2.gz KOWXZSYYHCQRRX-MRXNPFEDSA-N 1 1 320.433 3.190 20 10 DGCDMO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c(O)ccc(Cl)c1F ZINC000809724113 626941962 /nfs/dbraw/zinc/94/19/62/626941962.db2.gz DYZXHTPPQUKPCV-BXUZGUMPSA-N 1 1 312.816 3.243 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000809748970 626946052 /nfs/dbraw/zinc/94/60/52/626946052.db2.gz AEQDAUIANCPQGT-CQSZACIVSA-N 1 1 305.418 3.254 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1F ZINC000809766503 626949311 /nfs/dbraw/zinc/94/93/11/626949311.db2.gz ZHYCBLLMVJZXTL-YJBOKZPZSA-N 1 1 321.484 3.444 20 10 DGCDMO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1F ZINC000809766503 626949319 /nfs/dbraw/zinc/94/93/19/626949319.db2.gz ZHYCBLLMVJZXTL-YJBOKZPZSA-N 1 1 321.484 3.444 20 10 DGCDMO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1F ZINC000809766503 626949320 /nfs/dbraw/zinc/94/93/20/626949320.db2.gz ZHYCBLLMVJZXTL-YJBOKZPZSA-N 1 1 321.484 3.444 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c(O)c1 ZINC000809768624 626950475 /nfs/dbraw/zinc/95/04/75/626950475.db2.gz QTPVDXRMUXWRNT-INIZCTEOSA-N 1 1 315.417 3.468 20 10 DGCDMO C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767722 626950484 /nfs/dbraw/zinc/95/04/84/626950484.db2.gz SBDLNVKUHMTCTE-ABAIWWIYSA-N 1 1 312.816 3.101 20 10 DGCDMO C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767722 626950487 /nfs/dbraw/zinc/95/04/87/626950487.db2.gz SBDLNVKUHMTCTE-ABAIWWIYSA-N 1 1 312.816 3.101 20 10 DGCDMO C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767722 626950488 /nfs/dbraw/zinc/95/04/88/626950488.db2.gz SBDLNVKUHMTCTE-ABAIWWIYSA-N 1 1 312.816 3.101 20 10 DGCDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000809778728 626950846 /nfs/dbraw/zinc/95/08/46/626950846.db2.gz VIHJKLXAOVOYQS-AWEZNQCLSA-N 1 1 324.852 3.092 20 10 DGCDMO CCOC1CC([N@H+](C)Cc2cccc(Br)c2O)C1 ZINC000809774571 626951191 /nfs/dbraw/zinc/95/11/91/626951191.db2.gz UUNULMBIPROHPI-UHFFFAOYSA-N 1 1 314.223 3.154 20 10 DGCDMO CCOC1CC([N@@H+](C)Cc2cccc(Br)c2O)C1 ZINC000809774571 626951195 /nfs/dbraw/zinc/95/11/95/626951195.db2.gz UUNULMBIPROHPI-UHFFFAOYSA-N 1 1 314.223 3.154 20 10 DGCDMO CCc1nnc(C[NH2+][C@H](CC)c2ccc(N(C)C)cc2)s1 ZINC000810259125 626994231 /nfs/dbraw/zinc/99/42/31/626994231.db2.gz BSNSSXXBUKQYTL-CQSZACIVSA-N 1 1 304.463 3.407 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2C[C@]23CCOC3)cc1 ZINC000885940445 627065439 /nfs/dbraw/zinc/06/54/39/627065439.db2.gz JQTKFQZTZMLXTE-HKUYNNGSSA-N 1 1 302.462 3.391 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1C[C@@]12CCOC2 ZINC000885960111 627070308 /nfs/dbraw/zinc/07/03/08/627070308.db2.gz GXZWXGQZCYOAIF-PKOBYXMFSA-N 1 1 302.462 3.390 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C[C@H]2C[C@@]23CCOC3)C2CC2)cc1 ZINC000885960775 627070769 /nfs/dbraw/zinc/07/07/69/627070769.db2.gz PHBWCFSUJZJTAL-VQIMIIECSA-N 1 1 300.446 3.144 20 10 DGCDMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@H]1C[C@@]12CCOC2 ZINC000886064744 627097322 /nfs/dbraw/zinc/09/73/22/627097322.db2.gz HPNJGSGKZZPCKE-VQIMIIECSA-N 1 1 313.397 3.414 20 10 DGCDMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@@H]1C[C@]12CCOC2 ZINC000886064742 627097497 /nfs/dbraw/zinc/09/74/97/627097497.db2.gz HPNJGSGKZZPCKE-LPHOPBHVSA-N 1 1 313.397 3.414 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1c(O)cccc1F ZINC000886506205 627154583 /nfs/dbraw/zinc/15/45/83/627154583.db2.gz GWLWJIHJLSOFNY-QWRGUYRKSA-N 1 1 320.330 3.066 20 10 DGCDMO C[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1c(O)cccc1F ZINC000886509030 627154590 /nfs/dbraw/zinc/15/45/90/627154590.db2.gz XWCOPKKRIAKOCZ-SWLSCSKDSA-N 1 1 305.397 3.493 20 10 DGCDMO COc1cccc(CC[NH2+][C@@H](C)c2c(O)cccc2F)c1OC ZINC000886507779 627154689 /nfs/dbraw/zinc/15/46/89/627154689.db2.gz YDWASZYMHYJEGN-LBPRGKRZSA-N 1 1 319.376 3.442 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1c(O)cccc1F ZINC000886556726 627162509 /nfs/dbraw/zinc/16/25/09/627162509.db2.gz JAMMURQHAOBKMI-MLGOLLRUSA-N 1 1 300.377 3.369 20 10 DGCDMO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886557123 627162687 /nfs/dbraw/zinc/16/26/87/627162687.db2.gz TUOAJIJRGFXKIJ-LLVKDONJSA-N 1 1 305.397 3.240 20 10 DGCDMO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886561975 627164148 /nfs/dbraw/zinc/16/41/48/627164148.db2.gz NWQFBCXOPVQHCV-GFCCVEGCSA-N 1 1 305.397 3.165 20 10 DGCDMO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2c(O)cccc2F)c1 ZINC000886596535 627169782 /nfs/dbraw/zinc/16/97/82/627169782.db2.gz HOCDMLQXECUSJM-UKRRQHHQSA-N 1 1 303.377 3.094 20 10 DGCDMO C[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)NC(=O)OC(C)(C)C ZINC000886603111 627171263 /nfs/dbraw/zinc/17/12/63/627171263.db2.gz HKHZKOXYYANVLT-MNOVXSKESA-N 1 1 312.385 3.095 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1c(O)cccc1F ZINC000886631105 627176642 /nfs/dbraw/zinc/17/66/42/627176642.db2.gz CJMSTNKOUMCJHN-MRRJBJDNSA-N 1 1 316.376 3.497 20 10 DGCDMO C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1c(O)cccc1F ZINC000886637949 627177917 /nfs/dbraw/zinc/17/79/17/627177917.db2.gz ISSQWIICGJGPSN-LLVKDONJSA-N 1 1 303.381 3.383 20 10 DGCDMO C[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1c(O)cccc1F ZINC000886648473 627180117 /nfs/dbraw/zinc/18/01/17/627180117.db2.gz UVCPPHISGKBNSH-GFCCVEGCSA-N 1 1 313.376 3.311 20 10 DGCDMO COc1cccc(CN2C[C@H]3CCC[N@H+]3Cc3ccccc32)c1O ZINC000811508174 627283226 /nfs/dbraw/zinc/28/32/26/627283226.db2.gz DKHSBUOVDYKPMT-QGZVFWFLSA-N 1 1 324.424 3.385 20 10 DGCDMO CC[C@@H]([NH2+]Cc1nonc1C)c1ccc(C(F)(F)F)cc1O ZINC000811506774 627283715 /nfs/dbraw/zinc/28/37/15/627283715.db2.gz FGQQHCGXZFEMHW-LLVKDONJSA-N 1 1 315.295 3.343 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1F ZINC000811510699 627285571 /nfs/dbraw/zinc/28/55/71/627285571.db2.gz NDUZHVXQCAPQFU-IRXDYDNUSA-N 1 1 306.425 3.281 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000811781141 627322041 /nfs/dbraw/zinc/32/20/41/627322041.db2.gz YYTZGTAXFNGBIV-PBHICJAKSA-N 1 1 305.418 3.099 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000811792603 627322414 /nfs/dbraw/zinc/32/24/14/627322414.db2.gz PZOIYQDOJFRWNA-MAUKXSAKSA-N 1 1 317.429 3.243 20 10 DGCDMO CC[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCOC1 ZINC000812297016 627368575 /nfs/dbraw/zinc/36/85/75/627368575.db2.gz VZTWMPNHDNJGKF-AWEZNQCLSA-N 1 1 307.434 3.309 20 10 DGCDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000815057647 627620378 /nfs/dbraw/zinc/62/03/78/627620378.db2.gz WHZDQAACGPYWBQ-FUHWJXTLSA-N 1 1 303.494 3.366 20 10 DGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000815057647 627620382 /nfs/dbraw/zinc/62/03/82/627620382.db2.gz WHZDQAACGPYWBQ-FUHWJXTLSA-N 1 1 303.494 3.366 20 10 DGCDMO CCOC(=O)C[N@H+](Cc1ccc(N(C)C)c(C)c1)C(C)(C)C ZINC000815063185 627621627 /nfs/dbraw/zinc/62/16/27/627621627.db2.gz HOGWRGZEKHSACH-UHFFFAOYSA-N 1 1 306.450 3.225 20 10 DGCDMO CCOC(=O)C[N@@H+](Cc1ccc(N(C)C)c(C)c1)C(C)(C)C ZINC000815063185 627621633 /nfs/dbraw/zinc/62/16/33/627621633.db2.gz HOGWRGZEKHSACH-UHFFFAOYSA-N 1 1 306.450 3.225 20 10 DGCDMO Cc1cc(C[N@H+]2CCc3ccc(O)cc3CC2)ccc1N(C)C ZINC000815068460 627622288 /nfs/dbraw/zinc/62/22/88/627622288.db2.gz QRCKIVMDZITADT-UHFFFAOYSA-N 1 1 310.441 3.367 20 10 DGCDMO Cc1cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)ccc1N(C)C ZINC000815121232 627630669 /nfs/dbraw/zinc/63/06/69/627630669.db2.gz SZCVGAYQQUMKFZ-GOSISDBHSA-N 1 1 302.462 3.310 20 10 DGCDMO Cc1cc(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)ccc1N(C)C ZINC000815121337 627630949 /nfs/dbraw/zinc/63/09/49/627630949.db2.gz KYIZKHFHVICDHM-IBGZPJMESA-N 1 1 312.457 3.096 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cnn(C)c2Cl)cc1F ZINC000815123778 627631739 /nfs/dbraw/zinc/63/17/39/627631739.db2.gz IGCLQMAZDWJOLM-UHFFFAOYSA-N 1 1 324.831 3.349 20 10 DGCDMO Cc1cc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)ccc1N(C)C ZINC000815232738 627648055 /nfs/dbraw/zinc/64/80/55/627648055.db2.gz OBQHSWNOABWORZ-IBGZPJMESA-N 1 1 304.478 3.292 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815578309 627687218 /nfs/dbraw/zinc/68/72/18/627687218.db2.gz LWGFLJHDTZDPHS-NEPJUHHUSA-N 1 1 316.367 3.403 20 10 DGCDMO CC[C@H](CCO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815587449 627688625 /nfs/dbraw/zinc/68/86/25/627688625.db2.gz JWNPCQSVCALHQA-WDEREUQCSA-N 1 1 305.340 3.470 20 10 DGCDMO C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1O ZINC000815615701 627691250 /nfs/dbraw/zinc/69/12/50/627691250.db2.gz VLLAQYQHTGLUNV-GHMZBOCLSA-N 1 1 303.324 3.488 20 10 DGCDMO C[C@@H]([NH2+]CC1(CCO)CC1)c1cccc(C(F)(F)F)c1O ZINC000815618323 627691632 /nfs/dbraw/zinc/69/16/32/627691632.db2.gz JIICJZQBGRWWIL-SNVBAGLBSA-N 1 1 303.324 3.224 20 10 DGCDMO Oc1cc(F)c(Cl)cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000816503613 627798210 /nfs/dbraw/zinc/79/82/10/627798210.db2.gz FMROMRPKADGELF-ZDUSSCGKSA-N 1 1 312.816 3.245 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000816512772 627799106 /nfs/dbraw/zinc/79/91/06/627799106.db2.gz UNFJKODFHNMRRJ-UHFFFAOYSA-N 1 1 309.772 3.287 20 10 DGCDMO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816516838 627800212 /nfs/dbraw/zinc/80/02/12/627800212.db2.gz SPZMDXBDFIUMED-GFCCVEGCSA-N 1 1 314.832 3.348 20 10 DGCDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816516838 627800216 /nfs/dbraw/zinc/80/02/16/627800216.db2.gz SPZMDXBDFIUMED-GFCCVEGCSA-N 1 1 314.832 3.348 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)Nc1ccccc1 ZINC000816549011 627805694 /nfs/dbraw/zinc/80/56/94/627805694.db2.gz ADWWJRMFGSICPZ-SNVBAGLBSA-N 1 1 322.767 3.302 20 10 DGCDMO C[C@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCCC[C@@H]1O ZINC000816555870 627806772 /nfs/dbraw/zinc/80/67/72/627806772.db2.gz SCPRMSNQFSFDJC-LSDHHAIUSA-N 1 1 301.789 3.216 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000816568464 627808989 /nfs/dbraw/zinc/80/89/89/627808989.db2.gz HNDQJYCDDULVJC-CQSZACIVSA-N 1 1 323.795 3.268 20 10 DGCDMO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816593409 627812816 /nfs/dbraw/zinc/81/28/16/627812816.db2.gz QTVZEZNNFKXJNP-NSHDSACASA-N 1 1 323.799 3.298 20 10 DGCDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816593409 627812817 /nfs/dbraw/zinc/81/28/17/627812817.db2.gz QTVZEZNNFKXJNP-NSHDSACASA-N 1 1 323.799 3.298 20 10 DGCDMO OC[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)C1CCCCC1 ZINC000816649750 627820326 /nfs/dbraw/zinc/82/03/26/627820326.db2.gz JJQWAQKHLPSBMM-ZDUSSCGKSA-N 1 1 315.816 3.463 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1F ZINC000816665979 627822641 /nfs/dbraw/zinc/82/26/41/627822641.db2.gz BHWGZONPNIWUKC-MSOLQXFVSA-N 1 1 304.409 3.035 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1F ZINC000816665979 627822645 /nfs/dbraw/zinc/82/26/45/627822645.db2.gz BHWGZONPNIWUKC-MSOLQXFVSA-N 1 1 304.409 3.035 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CO)CC2)cc1F ZINC000816666799 627822687 /nfs/dbraw/zinc/82/26/87/627822687.db2.gz WNVANJRMGIUVKA-OAHLLOKOSA-N 1 1 308.441 3.266 20 10 DGCDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000817366508 627890437 /nfs/dbraw/zinc/89/04/37/627890437.db2.gz UHKYTRMSUBBTLZ-CQSZACIVSA-N 1 1 324.380 3.002 20 10 DGCDMO COc1cc(CN(C)C[C@@H]2CCC[N@H+]2C)c(O)c(C(C)(C)C)c1 ZINC000817372485 627890852 /nfs/dbraw/zinc/89/08/52/627890852.db2.gz IYBFCPVDWDHLGO-HNNXBMFYSA-N 1 1 320.477 3.224 20 10 DGCDMO COc1cc(C[N@H+](C)C[C@@H]2CCCN2C)c(O)c(C(C)(C)C)c1 ZINC000817372485 627890856 /nfs/dbraw/zinc/89/08/56/627890856.db2.gz IYBFCPVDWDHLGO-HNNXBMFYSA-N 1 1 320.477 3.224 20 10 DGCDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCN2C)c(O)c(C(C)(C)C)c1 ZINC000817372485 627890861 /nfs/dbraw/zinc/89/08/61/627890861.db2.gz IYBFCPVDWDHLGO-HNNXBMFYSA-N 1 1 320.477 3.224 20 10 DGCDMO Cc1cc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)c(C)n1-c1ccccc1 ZINC000926765515 627949415 /nfs/dbraw/zinc/94/94/15/627949415.db2.gz WXCBZVQBQDFYBW-KBXCAEBGSA-N 1 1 321.428 3.481 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2cccc(C3CC3)c2)cc1 ZINC000817864416 627951530 /nfs/dbraw/zinc/95/15/30/627951530.db2.gz GTYPFISKDQYKKC-FQEVSTJZSA-N 1 1 309.457 3.420 20 10 DGCDMO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000817938169 627966827 /nfs/dbraw/zinc/96/68/27/627966827.db2.gz GABVGLMDLRQUFL-SGTLLEGYSA-N 1 1 319.399 3.381 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCCNc3ccccc32)cc1 ZINC000817944338 627969518 /nfs/dbraw/zinc/96/95/18/627969518.db2.gz ZIAJYPZQWCDBEU-UYAOXDASSA-N 1 1 324.472 3.289 20 10 DGCDMO CC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1cc(Br)ccc1[O-] ZINC000817977887 627981949 /nfs/dbraw/zinc/98/19/49/627981949.db2.gz RCNHNYAHBCUSQA-ZWNOBZJWSA-N 1 1 315.255 3.323 20 10 DGCDMO C[C@@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1cc(F)ccc1O ZINC000817984332 627983486 /nfs/dbraw/zinc/98/34/86/627983486.db2.gz QOKNRUGBVUPFTQ-JIWOQCETSA-N 1 1 318.436 3.336 20 10 DGCDMO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)s1 ZINC000818357038 628017923 /nfs/dbraw/zinc/01/79/23/628017923.db2.gz UUWCWMHQCBWRPC-MNOVXSKESA-N 1 1 320.414 3.356 20 10 DGCDMO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)s1 ZINC000818358306 628018292 /nfs/dbraw/zinc/01/82/92/628018292.db2.gz UDBUAKNICLKOEJ-NXEZZACHSA-N 1 1 306.387 3.047 20 10 DGCDMO CC[C@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccc(F)cc1O ZINC000927119770 628020991 /nfs/dbraw/zinc/02/09/91/628020991.db2.gz ZYBWOXPGJWDFAX-LBPRGKRZSA-N 1 1 322.405 3.301 20 10 DGCDMO C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)cc(F)c1[O-])CC[NH2+]CC2 ZINC000818430864 628022179 /nfs/dbraw/zinc/02/21/79/628022179.db2.gz AEXCBGJRQALTOY-NSHDSACASA-N 1 1 312.816 3.149 20 10 DGCDMO Cc1ccc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c(O)c1 ZINC000929067772 628207186 /nfs/dbraw/zinc/20/71/86/628207186.db2.gz GFEKEFFLCQNJNE-UHFFFAOYSA-N 1 1 319.408 3.445 20 10 DGCDMO Cc1ccc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c(O)c1 ZINC000929067772 628207190 /nfs/dbraw/zinc/20/71/90/628207190.db2.gz GFEKEFFLCQNJNE-UHFFFAOYSA-N 1 1 319.408 3.445 20 10 DGCDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824272024 628645879 /nfs/dbraw/zinc/64/58/79/628645879.db2.gz PPWGOUOQCLGXJN-WMLDXEAASA-N 1 1 316.470 3.340 20 10 DGCDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824272026 628646046 /nfs/dbraw/zinc/64/60/46/628646046.db2.gz PPWGOUOQCLGXJN-YOEHRIQHSA-N 1 1 316.470 3.340 20 10 DGCDMO Cc1cc(Cl)cc(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)c1O ZINC000824446001 628661558 /nfs/dbraw/zinc/66/15/58/628661558.db2.gz QBVXGYOASRWANM-LBPRGKRZSA-N 1 1 308.853 3.270 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCN(C3CC3)C[C@@H](C)C2)c1O ZINC000824446001 628661560 /nfs/dbraw/zinc/66/15/60/628661560.db2.gz QBVXGYOASRWANM-LBPRGKRZSA-N 1 1 308.853 3.270 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCN(C3CC3)C[C@@H](C)C2)c1O ZINC000824446001 628661561 /nfs/dbraw/zinc/66/15/61/628661561.db2.gz QBVXGYOASRWANM-LBPRGKRZSA-N 1 1 308.853 3.270 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000824695696 628684897 /nfs/dbraw/zinc/68/48/97/628684897.db2.gz BHFCFEKFGLCFBD-LMMKCTJWSA-N 1 1 319.445 3.306 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824723079 628687797 /nfs/dbraw/zinc/68/77/97/628687797.db2.gz ZYGCZFHAPFBVLG-NILFDRSVSA-N 1 1 313.800 3.310 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824723079 628687798 /nfs/dbraw/zinc/68/77/98/628687798.db2.gz ZYGCZFHAPFBVLG-NILFDRSVSA-N 1 1 313.800 3.310 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1(C)C ZINC000824820975 628697096 /nfs/dbraw/zinc/69/70/96/628697096.db2.gz RVKSDBBPQCIZAS-ZDUSSCGKSA-N 1 1 301.789 3.432 20 10 DGCDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1O ZINC000824889509 628702945 /nfs/dbraw/zinc/70/29/45/628702945.db2.gz QMUNJTBQISVGPW-GFCCVEGCSA-N 1 1 316.264 3.482 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000824933040 628708926 /nfs/dbraw/zinc/70/89/26/628708926.db2.gz ATLPQPPEKUDHKR-BBRMVZONSA-N 1 1 308.853 3.270 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000824933040 628708928 /nfs/dbraw/zinc/70/89/28/628708928.db2.gz ATLPQPPEKUDHKR-BBRMVZONSA-N 1 1 308.853 3.270 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c(O)c1 ZINC000825104180 628728257 /nfs/dbraw/zinc/72/82/57/628728257.db2.gz QEQXVQFTPDDVNC-SJORKVTESA-N 1 1 305.418 3.180 20 10 DGCDMO Cc1cc([O-])c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000825320377 628748762 /nfs/dbraw/zinc/74/87/62/628748762.db2.gz KCFXXPLBFMBQEQ-GOOCMWNKSA-N 1 1 308.853 3.459 20 10 DGCDMO Cc1cc([O-])c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000825320377 628748764 /nfs/dbraw/zinc/74/87/64/628748764.db2.gz KCFXXPLBFMBQEQ-GOOCMWNKSA-N 1 1 308.853 3.459 20 10 DGCDMO COC[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000825321638 628749085 /nfs/dbraw/zinc/74/90/85/628749085.db2.gz JRXXSLJWCWSVDH-NSHDSACASA-N 1 1 301.789 3.433 20 10 DGCDMO COC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000825321638 628749087 /nfs/dbraw/zinc/74/90/87/628749087.db2.gz JRXXSLJWCWSVDH-NSHDSACASA-N 1 1 301.789 3.433 20 10 DGCDMO C[N@@H+](CCc1ccccn1)Cc1ccc(Br)cc1O ZINC000825501449 628769218 /nfs/dbraw/zinc/76/92/18/628769218.db2.gz PKYYXQFVFBAZEH-UHFFFAOYSA-N 1 1 321.218 3.224 20 10 DGCDMO Cc1cc(O)c(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)cc1Cl ZINC000825556334 628773414 /nfs/dbraw/zinc/77/34/14/628773414.db2.gz QEFZWQVYICWSQZ-LLVKDONJSA-N 1 1 312.841 3.089 20 10 DGCDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc(Br)cc1O ZINC000825685757 628785802 /nfs/dbraw/zinc/78/58/02/628785802.db2.gz LLYXTIONGYQVHP-SNVBAGLBSA-N 1 1 316.264 3.482 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1Cl ZINC000825715915 628789854 /nfs/dbraw/zinc/78/98/54/628789854.db2.gz JREYYBQVBDNLIJ-CYBMUJFWSA-N 1 1 319.836 3.467 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](CCCO)Cc2ccccn2)cc1Cl ZINC000825922016 628810363 /nfs/dbraw/zinc/81/03/63/628810363.db2.gz FCZKAAWFYZHRRH-UHFFFAOYSA-N 1 1 320.820 3.134 20 10 DGCDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000826043695 628822644 /nfs/dbraw/zinc/82/26/44/628822644.db2.gz OQWIBBJQYDQVLY-DYVFJYSZSA-N 1 1 321.461 3.291 20 10 DGCDMO COc1c(O)c(C[NH+]2CCC(C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000826947080 628906283 /nfs/dbraw/zinc/90/62/83/628906283.db2.gz NCGACDAQTRNAQB-UHFFFAOYSA-N 1 1 320.389 3.321 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1 ZINC000827017694 628913123 /nfs/dbraw/zinc/91/31/23/628913123.db2.gz IHNWLJJVTLMDRA-QCUQMOABSA-N 1 1 300.446 3.124 20 10 DGCDMO COCC[N@@H+](CCF)Cc1cc(-c2ccccc2)ccc1O ZINC000827053997 628917066 /nfs/dbraw/zinc/91/70/66/628917066.db2.gz KNOYBEGLWLZCKA-UHFFFAOYSA-N 1 1 303.377 3.477 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000827151698 628929146 /nfs/dbraw/zinc/92/91/46/628929146.db2.gz IGLJGNMTAUVSHJ-UABKOXTMSA-N 1 1 300.446 3.003 20 10 DGCDMO C[C@]12COC[C@H]1C[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000827283665 628945125 /nfs/dbraw/zinc/94/51/25/628945125.db2.gz RCCOIDZHAKYQNJ-MJGOQNOKSA-N 1 1 300.446 3.145 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000827377067 628953827 /nfs/dbraw/zinc/95/38/27/628953827.db2.gz OOTWAYUAZDXYFA-YOEHRIQHSA-N 1 1 305.418 3.182 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1O ZINC000827377359 628954355 /nfs/dbraw/zinc/95/43/55/628954355.db2.gz WOOLTCXEBWLCGW-ZBFHGGJFSA-N 1 1 305.418 3.182 20 10 DGCDMO Cn1ncc(C2CCC2)c1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000827401319 628955772 /nfs/dbraw/zinc/95/57/72/628955772.db2.gz RKHGNJVMIJFUHL-UHFFFAOYSA-N 1 1 323.799 3.476 20 10 DGCDMO Cc1cc(C[N@H+]2CCCC[C@@H]2CO)ccc1N1CCCCC1 ZINC000827411221 628956558 /nfs/dbraw/zinc/95/65/58/628956558.db2.gz MYGQADDFRYRTKA-GOSISDBHSA-N 1 1 302.462 3.332 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c(O)c1 ZINC000827537835 628969486 /nfs/dbraw/zinc/96/94/86/628969486.db2.gz IWAUSHQZYDUMMN-UHFFFAOYSA-N 1 1 317.429 3.182 20 10 DGCDMO CCC[N@H+](C)CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000827583859 628973219 /nfs/dbraw/zinc/97/32/19/628973219.db2.gz MWJZMHFLZFLBNY-UHFFFAOYSA-N 1 1 303.381 3.153 20 10 DGCDMO CCC[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000827583859 628973221 /nfs/dbraw/zinc/97/32/21/628973221.db2.gz MWJZMHFLZFLBNY-UHFFFAOYSA-N 1 1 303.381 3.153 20 10 DGCDMO COc1c(O)c(C[N@H+](CCC2CC2)CC2CC2)ccc1[N+](=O)[O-] ZINC000827729481 628986374 /nfs/dbraw/zinc/98/63/74/628986374.db2.gz VNIAJHPFEDMWNE-UHFFFAOYSA-N 1 1 320.389 3.321 20 10 DGCDMO COc1c(O)c(C[N@@H+](CCC2CC2)CC2CC2)ccc1[N+](=O)[O-] ZINC000827729481 628986375 /nfs/dbraw/zinc/98/63/75/628986375.db2.gz VNIAJHPFEDMWNE-UHFFFAOYSA-N 1 1 320.389 3.321 20 10 DGCDMO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1O ZINC000827946518 629006686 /nfs/dbraw/zinc/00/66/86/629006686.db2.gz KTBLIRCFKYKFRB-PBHICJAKSA-N 1 1 316.445 3.367 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000827962816 629008919 /nfs/dbraw/zinc/00/89/19/629008919.db2.gz UECNFNVPISEDAO-ZBEGNZNMSA-N 1 1 315.360 3.035 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000827962816 629008920 /nfs/dbraw/zinc/00/89/20/629008920.db2.gz UECNFNVPISEDAO-ZBEGNZNMSA-N 1 1 315.360 3.035 20 10 DGCDMO CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1O ZINC000827962993 629008966 /nfs/dbraw/zinc/00/89/66/629008966.db2.gz XRAKHRXBNBADEU-BDJLRTHQSA-N 1 1 315.360 3.035 20 10 DGCDMO CCOc1cccc(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1O ZINC000827962993 629008968 /nfs/dbraw/zinc/00/89/68/629008968.db2.gz XRAKHRXBNBADEU-BDJLRTHQSA-N 1 1 315.360 3.035 20 10 DGCDMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1O ZINC000827978048 629010364 /nfs/dbraw/zinc/01/03/64/629010364.db2.gz HOIWEQGDROQGHU-MAUKXSAKSA-N 1 1 324.424 3.234 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1O ZINC000828554960 629067607 /nfs/dbraw/zinc/06/76/07/629067607.db2.gz INVVUMKCAGJONS-PKOBYXMFSA-N 1 1 302.462 3.188 20 10 DGCDMO Cc1cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)ccc1N1CCCCC1 ZINC000828785140 629091815 /nfs/dbraw/zinc/09/18/15/629091815.db2.gz CLMKNTQHTFUVHB-AOMKIAJQSA-N 1 1 322.518 3.184 20 10 DGCDMO Cc1cc(C[N@H+](C)C2(CO)CCC2)ccc1N1CCCCC1 ZINC000830008766 629216692 /nfs/dbraw/zinc/21/66/92/629216692.db2.gz HTXKQZVPHXQIED-UHFFFAOYSA-N 1 1 302.462 3.332 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1O ZINC000832505164 629490966 /nfs/dbraw/zinc/49/09/66/629490966.db2.gz AQGCEDYDEXCJRB-QGZVFWFLSA-N 1 1 323.433 3.453 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+]C(C)(C)CN2CCCC2)c1O ZINC000832756261 629510536 /nfs/dbraw/zinc/51/05/36/629510536.db2.gz LLCHYWHWZMZXPK-UHFFFAOYSA-N 1 1 324.852 3.212 20 10 DGCDMO C[C@@H](CCCO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000834870810 629794194 /nfs/dbraw/zinc/79/41/94/629794194.db2.gz KNWHJIDBWLSEEQ-QWRGUYRKSA-N 1 1 305.340 3.470 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc(C(F)(F)F)c1O ZINC000834906674 629805163 /nfs/dbraw/zinc/80/51/63/629805163.db2.gz RTMNJWGRXZEFAJ-NOZJJQNGSA-N 1 1 303.324 3.223 20 10 DGCDMO CN(C)c1ccc(/C=C\CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000835026450 629827863 /nfs/dbraw/zinc/82/78/63/629827863.db2.gz WSOWXFMZEVLPMY-LZCIBIBXSA-N 1 1 301.478 3.039 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+](C)C[C@H]2CCCN(C)C2)cc1 ZINC000835026450 629827884 /nfs/dbraw/zinc/82/78/84/629827884.db2.gz WSOWXFMZEVLPMY-LZCIBIBXSA-N 1 1 301.478 3.039 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1 ZINC000835026450 629827890 /nfs/dbraw/zinc/82/78/90/629827890.db2.gz WSOWXFMZEVLPMY-LZCIBIBXSA-N 1 1 301.478 3.039 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000835026121 629827908 /nfs/dbraw/zinc/82/79/08/629827908.db2.gz QALLTNPEDYRDFJ-NJELEJDNSA-N 1 1 310.445 3.369 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000835026206 629828282 /nfs/dbraw/zinc/82/82/82/629828282.db2.gz SEFLBXDXDNVXAX-CWIOURORSA-N 1 1 300.446 3.267 20 10 DGCDMO CN(C)c1ccc(/C=C\CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000835030454 629829774 /nfs/dbraw/zinc/82/97/74/629829774.db2.gz YEHVCRBYEANRCM-FTKDCLMVSA-N 1 1 313.489 3.182 20 10 DGCDMO CN(C)c1ccc(/C=C\CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000835030454 629829777 /nfs/dbraw/zinc/82/97/77/629829777.db2.gz YEHVCRBYEANRCM-FTKDCLMVSA-N 1 1 313.489 3.182 20 10 DGCDMO C[C@@H](CNC/C=C/c1ccc(N(C)C)cc1)C[NH+]1CCCC1 ZINC000835034831 629830518 /nfs/dbraw/zinc/83/05/18/629830518.db2.gz FKLFJUZNUATPEZ-LXXRFIIISA-N 1 1 301.478 3.087 20 10 DGCDMO CC(C)c1nnc([C@H](C)[NH2+]CC=Cc2ccc(N(C)C)cc2)[nH]1 ZINC000835042394 629832627 /nfs/dbraw/zinc/83/26/27/629832627.db2.gz UXFCWJXEJUYTRC-UZYOAWRESA-N 1 1 313.449 3.358 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000835043694 629833575 /nfs/dbraw/zinc/83/35/75/629833575.db2.gz BETYYTFYLZVMTM-XZJTZLQGSA-N 1 1 302.462 3.249 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000835049552 629836163 /nfs/dbraw/zinc/83/61/63/629836163.db2.gz KAEYMBVNYXFOJN-QXDJROSASA-N 1 1 300.446 3.409 20 10 DGCDMO Cc1cnn([C@@H]2CC[N@H+](C/C=C\c3ccc(N(C)C)cc3)C2)c1 ZINC000835052669 629837783 /nfs/dbraw/zinc/83/77/83/629837783.db2.gz ILNPBORSSVVLGW-PHWHVTFISA-N 1 1 310.445 3.218 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000835055878 629839799 /nfs/dbraw/zinc/83/97/99/629839799.db2.gz OQPWUWCUJFEKFV-YGXGPUHLSA-N 1 1 312.457 3.409 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000835055878 629839804 /nfs/dbraw/zinc/83/98/04/629839804.db2.gz OQPWUWCUJFEKFV-YGXGPUHLSA-N 1 1 312.457 3.409 20 10 DGCDMO CC1(C)C[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000835060594 629840610 /nfs/dbraw/zinc/84/06/10/629840610.db2.gz RVWXCURQYCGVFO-SNVBAGLBSA-N 1 1 301.789 3.480 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@]2(C)CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000835075314 629844375 /nfs/dbraw/zinc/84/43/75/629844375.db2.gz XKZGFDFNOSOIBL-ZBEGNZNMSA-N 1 1 308.378 3.367 20 10 DGCDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3c(O)cc(C)cc3Cl)C2)[nH]1 ZINC000840920254 630378889 /nfs/dbraw/zinc/37/88/89/630378889.db2.gz UNHZHQLBHGUHFK-LBPRGKRZSA-N 1 1 320.824 3.160 20 10 DGCDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)n1 ZINC000840920254 630378893 /nfs/dbraw/zinc/37/88/93/630378893.db2.gz UNHZHQLBHGUHFK-LBPRGKRZSA-N 1 1 320.824 3.160 20 10 DGCDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3c(O)cc(C)cc3Cl)C2)n1 ZINC000840920254 630378897 /nfs/dbraw/zinc/37/88/97/630378897.db2.gz UNHZHQLBHGUHFK-LBPRGKRZSA-N 1 1 320.824 3.160 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1nnc(C(C)C)[nH]1 ZINC000840936306 630380592 /nfs/dbraw/zinc/38/05/92/630380592.db2.gz JADADXQPZVDUDA-CYBMUJFWSA-N 1 1 301.438 3.153 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000840951068 630383502 /nfs/dbraw/zinc/38/35/02/630383502.db2.gz XZSINFLFPXVLMJ-HXUWFJFHSA-N 1 1 312.457 3.096 20 10 DGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCO[C@H](CF)C1 ZINC000840955114 630383886 /nfs/dbraw/zinc/38/38/86/630383886.db2.gz QTWMCNAEVSXSSK-QGZVFWFLSA-N 1 1 301.361 3.230 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000840954824 630384141 /nfs/dbraw/zinc/38/41/41/630384141.db2.gz OQQTYWXDTGRUEQ-TZMCWYRMSA-N 1 1 320.389 3.225 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2cc(Cl)cs2)cc1 ZINC000841044057 630401087 /nfs/dbraw/zinc/40/10/87/630401087.db2.gz UPLLPVDGAZQPIW-OAHLLOKOSA-N 1 1 309.866 3.257 20 10 DGCDMO CCN(CC)c1ccc(CNC[C@]2(C)CCC[NH2+]C2)cc1F ZINC000841057554 630403190 /nfs/dbraw/zinc/40/31/90/630403190.db2.gz PIRWDGUCZSRKAR-GOSISDBHSA-N 1 1 307.457 3.151 20 10 DGCDMO CCN(CC)c1ccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1F ZINC000841090666 630406690 /nfs/dbraw/zinc/40/66/90/630406690.db2.gz MJDKUNBTCMCNGJ-RDTXWAMCSA-N 1 1 307.457 3.089 20 10 DGCDMO COCc1nc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)cs1 ZINC000841753264 630462215 /nfs/dbraw/zinc/46/22/15/630462215.db2.gz FTHMWFXUDLAAKF-VIFPVBQESA-N 1 1 312.822 3.499 20 10 DGCDMO C[C@H]([NH2+]CCCN1CCCCC1=O)c1ccc(Cl)cc1O ZINC000841763961 630463249 /nfs/dbraw/zinc/46/32/49/630463249.db2.gz OPIMBRVHHTZHKJ-LBPRGKRZSA-N 1 1 310.825 3.099 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(Cl)cc1O ZINC000841765068 630463304 /nfs/dbraw/zinc/46/33/04/630463304.db2.gz UPTNFXOHLFGIGP-OBJOEFQTSA-N 1 1 324.852 3.343 20 10 DGCDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CC1(C)C ZINC000841890746 630473636 /nfs/dbraw/zinc/47/36/36/630473636.db2.gz KAZUZURKVHMNSG-RYUDHWBXSA-N 1 1 308.378 3.223 20 10 DGCDMO CCOc1ccc(C[N@H+](C)C(C)(C)CN2CCCC2)c(O)c1 ZINC000841893512 630474118 /nfs/dbraw/zinc/47/41/18/630474118.db2.gz KYYMZPHDNJFGIP-UHFFFAOYSA-N 1 1 306.450 3.097 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)C(C)(C)CN2CCCC2)c(O)c1 ZINC000841893512 630474120 /nfs/dbraw/zinc/47/41/20/630474120.db2.gz KYYMZPHDNJFGIP-UHFFFAOYSA-N 1 1 306.450 3.097 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2COc2cccnc2C)c1 ZINC000841897011 630474538 /nfs/dbraw/zinc/47/45/38/630474538.db2.gz SISAHJQKWKGOEL-QGZVFWFLSA-N 1 1 312.413 3.447 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)c2c1 ZINC000842622002 630555030 /nfs/dbraw/zinc/55/50/30/630555030.db2.gz GIGWESMNQXTRSY-KUHUBIRLSA-N 1 1 313.397 3.165 20 10 DGCDMO COc1ccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1C ZINC000842766360 630574120 /nfs/dbraw/zinc/57/41/20/630574120.db2.gz RLQQWHLVJDMDMC-UXHICEINSA-N 1 1 324.468 3.439 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]CC3CCC(F)CC3)cc2)CC1 ZINC000842780931 630575594 /nfs/dbraw/zinc/57/55/94/630575594.db2.gz ZIGBEMFBZYGLTE-UHFFFAOYSA-N 1 1 319.468 3.056 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc2n(n1)CCCC2 ZINC000842836028 630583010 /nfs/dbraw/zinc/58/30/10/630583010.db2.gz MDRGWWXGTJIGFF-CYBMUJFWSA-N 1 1 316.424 3.275 20 10 DGCDMO Oc1c(F)cc(Cl)cc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000843047970 630608227 /nfs/dbraw/zinc/60/82/27/630608227.db2.gz FSQDJFUDZIFOBW-GJZGRUSLSA-N 1 1 312.816 3.291 20 10 DGCDMO C[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1CN ZINC000843052244 630608856 /nfs/dbraw/zinc/60/88/56/630608856.db2.gz QOWSZDOVTZQUCQ-QFBILLFUSA-N 1 1 301.478 3.236 20 10 DGCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1CN ZINC000843052244 630608859 /nfs/dbraw/zinc/60/88/59/630608859.db2.gz QOWSZDOVTZQUCQ-QFBILLFUSA-N 1 1 301.478 3.236 20 10 DGCDMO CCCN(CCC)c1ccc(CN2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000843051704 630609016 /nfs/dbraw/zinc/60/90/16/630609016.db2.gz KSAYTYBGHVUEKG-APWZRJJASA-N 1 1 303.494 3.482 20 10 DGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000843059466 630609846 /nfs/dbraw/zinc/60/98/46/630609846.db2.gz MJEKQJDJYMJBLS-LJQANCHMSA-N 1 1 301.478 3.108 20 10 DGCDMO c1cc(N2CCCCC2)ccc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843116861 630615255 /nfs/dbraw/zinc/61/52/55/630615255.db2.gz MWLAJRPAXKMLPY-HXUWFJFHSA-N 1 1 313.489 3.252 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000843417150 630654403 /nfs/dbraw/zinc/65/44/03/630654403.db2.gz PWXLXBHBKWIXPH-WMLDXEAASA-N 1 1 305.418 3.182 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000843420903 630655751 /nfs/dbraw/zinc/65/57/51/630655751.db2.gz LPOZHZWPSSAWPP-MJGOQNOKSA-N 1 1 300.446 3.288 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c1 ZINC000843432148 630658031 /nfs/dbraw/zinc/65/80/31/630658031.db2.gz RFMHRFYTHZTPNB-AWEZNQCLSA-N 1 1 305.418 3.182 20 10 DGCDMO C[C@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC2(CCC2)O1 ZINC000843431706 630658196 /nfs/dbraw/zinc/65/81/96/630658196.db2.gz BUBJQFCCUMSJIB-NBUZRDOWSA-N 1 1 300.446 3.409 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)c1O ZINC000843432596 630658353 /nfs/dbraw/zinc/65/83/53/630658353.db2.gz NZMNRKWWYZRAHN-LLVKDONJSA-N 1 1 311.809 3.198 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)c1O ZINC000843432596 630658355 /nfs/dbraw/zinc/65/83/55/630658355.db2.gz NZMNRKWWYZRAHN-LLVKDONJSA-N 1 1 311.809 3.198 20 10 DGCDMO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000844759733 630845577 /nfs/dbraw/zinc/84/55/77/630845577.db2.gz RLWICUOKTYTZJT-CQSZACIVSA-N 1 1 323.433 3.261 20 10 DGCDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000844759733 630845581 /nfs/dbraw/zinc/84/55/81/630845581.db2.gz RLWICUOKTYTZJT-CQSZACIVSA-N 1 1 323.433 3.261 20 10 DGCDMO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cccc(Br)c1O ZINC000846017137 631206243 /nfs/dbraw/zinc/20/62/43/631206243.db2.gz LJVPFQDTPUQZSJ-ZWNOBZJWSA-N 1 1 316.239 3.041 20 10 DGCDMO CC[C@@H]1C[C@@H](C[N@@H+](C)CCN(C)c2ccc(OC)cc2)CCO1 ZINC000846051291 631208405 /nfs/dbraw/zinc/20/84/05/631208405.db2.gz FGAGJWARPXPFMS-FUHWJXTLSA-N 1 1 320.477 3.268 20 10 DGCDMO COc1cccc([C@@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)c1O ZINC000846151699 631212303 /nfs/dbraw/zinc/21/23/03/631212303.db2.gz DWNKRUIXENPILP-YGRLFVJLSA-N 1 1 323.339 3.063 20 10 DGCDMO C[N@@H+](CCC(=O)NCc1cc(Cl)ccc1O)C1CCCCC1 ZINC000846472668 631249467 /nfs/dbraw/zinc/24/94/67/631249467.db2.gz DSASLEXVUQKATR-UHFFFAOYSA-N 1 1 324.852 3.316 20 10 DGCDMO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCCOC1 ZINC000107670233 631678619 /nfs/dbraw/zinc/67/86/19/631678619.db2.gz BGNKERPSWCMTHL-ZDUSSCGKSA-N 1 1 307.434 3.254 20 10 DGCDMO CCc1cccc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)c1O ZINC000848890611 631774144 /nfs/dbraw/zinc/77/41/44/631774144.db2.gz SPKPTSNYFDHROO-LBPRGKRZSA-N 1 1 316.367 3.023 20 10 DGCDMO COc1cc(C[NH2+][C@@H](C)c2csnn2)c(O)c(C(C)(C)C)c1 ZINC000850326823 632114147 /nfs/dbraw/zinc/11/41/47/632114147.db2.gz CNOJMVCHCBSJCB-JTQLQIEISA-N 1 1 321.446 3.401 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2COC(C)(C)C2)c1 ZINC000850342589 632119470 /nfs/dbraw/zinc/11/94/70/632119470.db2.gz TZBCCPKMMKHHMA-NSHDSACASA-N 1 1 314.223 3.120 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850373178 632130107 /nfs/dbraw/zinc/13/01/07/632130107.db2.gz DHGBBTYOSHMBKS-UKRRQHHQSA-N 1 1 307.752 3.453 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccccc43)cc2)CC1 ZINC000850373770 632130384 /nfs/dbraw/zinc/13/03/84/632130384.db2.gz QAIHHVZLAPKLEB-OAQYLSRUSA-N 1 1 321.468 3.216 20 10 DGCDMO CN(C)c1ccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000850381761 632134167 /nfs/dbraw/zinc/13/41/67/632134167.db2.gz JCOOQLDSTKIVFJ-QGZVFWFLSA-N 1 1 301.478 3.249 20 10 DGCDMO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)cc1 ZINC000850381761 632134169 /nfs/dbraw/zinc/13/41/69/632134169.db2.gz JCOOQLDSTKIVFJ-QGZVFWFLSA-N 1 1 301.478 3.249 20 10 DGCDMO [O-]c1cccc(Cl)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850421183 632147442 /nfs/dbraw/zinc/14/74/42/632147442.db2.gz WGMGCISWAKXXCV-UHFFFAOYSA-N 1 1 308.853 3.257 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C1(CO)CC1 ZINC000850515421 632176688 /nfs/dbraw/zinc/17/66/88/632176688.db2.gz KUIIDNMLKAZXLM-VHSXEESVSA-N 1 1 303.324 3.223 20 10 DGCDMO C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1cc(F)cc(F)c1O ZINC000850529135 632181612 /nfs/dbraw/zinc/18/16/12/632181612.db2.gz PJHSBVYEFXXIGC-OBPXBXINSA-N 1 1 305.324 3.499 20 10 DGCDMO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000850569739 632197538 /nfs/dbraw/zinc/19/75/38/632197538.db2.gz AKTMIAGCRCSJMT-CQOUMUIBSA-N 1 1 318.186 3.122 20 10 DGCDMO CCOc1ccc(OCC[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109771343 632316668 /nfs/dbraw/zinc/31/66/68/632316668.db2.gz SBAQBAOMBKHHKE-UHFFFAOYSA-N 1 1 301.386 3.302 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](O)c2ccccn2)cc1 ZINC000851716372 632472565 /nfs/dbraw/zinc/47/25/65/632472565.db2.gz LPLSTBWRPOGRGM-LJQANCHMSA-N 1 1 313.445 3.093 20 10 DGCDMO COc1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)on1 ZINC000851771769 632489372 /nfs/dbraw/zinc/48/93/72/632489372.db2.gz OCOVWSNZGXTIMP-UHFFFAOYSA-N 1 1 302.374 3.334 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000851792103 632494558 /nfs/dbraw/zinc/49/45/58/632494558.db2.gz KTMVVQTVYVHIRJ-USXIJHARSA-N 1 1 316.445 3.052 20 10 DGCDMO CC1(C)OC[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)O1 ZINC000851841380 632506689 /nfs/dbraw/zinc/50/66/89/632506689.db2.gz PZQRCBLGCLBNCI-INIZCTEOSA-N 1 1 317.385 3.139 20 10 DGCDMO C[C@@H](c1ccccc1)[N@@H+](CCc1cn[nH]n1)Cc1ccccc1O ZINC000851880369 632513133 /nfs/dbraw/zinc/51/31/33/632513133.db2.gz XDZAWJJEOPYVTB-HNNXBMFYSA-N 1 1 322.412 3.316 20 10 DGCDMO C[C@@H](c1ccccc1)[N@H+](CCc1c[nH]nn1)Cc1ccccc1O ZINC000851880369 632513137 /nfs/dbraw/zinc/51/31/37/632513137.db2.gz XDZAWJJEOPYVTB-HNNXBMFYSA-N 1 1 322.412 3.316 20 10 DGCDMO C[C@@H](c1ccccc1)[N@@H+](CCc1c[nH]nn1)Cc1ccccc1O ZINC000851880369 632513141 /nfs/dbraw/zinc/51/31/41/632513141.db2.gz XDZAWJJEOPYVTB-HNNXBMFYSA-N 1 1 322.412 3.316 20 10 DGCDMO COc1c(O)c(C[N@H+](CC2CC2)C2CCC2)ccc1[N+](=O)[O-] ZINC000793393122 661029617 /nfs/dbraw/zinc/02/96/17/661029617.db2.gz CQXZYDOATKZXIH-UHFFFAOYSA-N 1 1 306.362 3.074 20 10 DGCDMO COc1c(O)c(C[N@@H+](CC2CC2)C2CCC2)ccc1[N+](=O)[O-] ZINC000793393122 661029619 /nfs/dbraw/zinc/02/96/19/661029619.db2.gz CQXZYDOATKZXIH-UHFFFAOYSA-N 1 1 306.362 3.074 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246894778 655552959 /nfs/dbraw/zinc/55/29/59/655552959.db2.gz UECOEFAOGXPMQS-FXAWDEMLSA-N 1 1 313.489 3.201 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246894778 655552960 /nfs/dbraw/zinc/55/29/60/655552960.db2.gz UECOEFAOGXPMQS-FXAWDEMLSA-N 1 1 313.489 3.201 20 10 DGCDMO CN1CCC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000068722633 655598492 /nfs/dbraw/zinc/59/84/92/655598492.db2.gz UGKDTUOAGZMADX-SFHVURJKSA-N 1 1 301.478 3.108 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)cc1OC ZINC000160325824 655608178 /nfs/dbraw/zinc/60/81/78/655608178.db2.gz QKRDIAWZZUZURB-AEFFLSMTSA-N 1 1 323.433 3.045 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC(C)(C)O1 ZINC000065224538 655747943 /nfs/dbraw/zinc/74/79/43/655747943.db2.gz FUHUSZVGFRPAFR-LBPRGKRZSA-N 1 1 307.434 3.395 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000161637119 655809706 /nfs/dbraw/zinc/80/97/06/655809706.db2.gz GNCKDEDSAVWNPW-UHFFFAOYSA-N 1 1 312.413 3.156 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCCc3ccccc3C2)cc1OC ZINC000179444322 655893160 /nfs/dbraw/zinc/89/31/60/655893160.db2.gz OZWZBBJIXNRCBQ-UHFFFAOYSA-N 1 1 313.397 3.358 20 10 DGCDMO COCC(C)(C)[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715726556 661214090 /nfs/dbraw/zinc/21/40/90/661214090.db2.gz UTEIMSUIOZZQPG-UHFFFAOYSA-N 1 1 320.202 3.151 20 10 DGCDMO COCC(C)(C)[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715726556 661214092 /nfs/dbraw/zinc/21/40/92/661214092.db2.gz UTEIMSUIOZZQPG-UHFFFAOYSA-N 1 1 320.202 3.151 20 10 DGCDMO COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C2 ZINC000185334449 656125629 /nfs/dbraw/zinc/12/56/29/656125629.db2.gz DRKXQJFMCSPDFW-SMDDNHRTSA-N 1 1 317.360 3.194 20 10 DGCDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000187993117 656142915 /nfs/dbraw/zinc/14/29/15/656142915.db2.gz VUBOXXSUQRKYPN-QGZVFWFLSA-N 1 1 315.413 3.090 20 10 DGCDMO CC[C@]1(C)C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000190328956 656160267 /nfs/dbraw/zinc/16/02/67/656160267.db2.gz WMVJUJOUTKIRLH-GOSISDBHSA-N 1 1 307.434 3.396 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000724927928 656530499 /nfs/dbraw/zinc/53/04/99/656530499.db2.gz YHOJPXKCGLTMBD-YPMHNXCESA-N 1 1 324.396 3.191 20 10 DGCDMO CCOc1cccc(CNC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1O ZINC000236939817 656993384 /nfs/dbraw/zinc/99/33/84/656993384.db2.gz LTAJYMVNPMWJKJ-HNAYVOBHSA-N 1 1 320.477 3.391 20 10 DGCDMO CC(C)[N@@H+](C)C[C@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000319650221 657121077 /nfs/dbraw/zinc/12/10/77/657121077.db2.gz LCUOSBJYKRTWMF-KRWDZBQOSA-N 1 1 303.494 3.495 20 10 DGCDMO CC(C)[N@H+](C)C[C@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000319650221 657121082 /nfs/dbraw/zinc/12/10/82/657121082.db2.gz LCUOSBJYKRTWMF-KRWDZBQOSA-N 1 1 303.494 3.495 20 10 DGCDMO CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000092066055 657289291 /nfs/dbraw/zinc/28/92/91/657289291.db2.gz UECOEFAOGXPMQS-YLJYHZDGSA-N 1 1 313.489 3.201 20 10 DGCDMO CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000092066055 657289294 /nfs/dbraw/zinc/28/92/94/657289294.db2.gz UECOEFAOGXPMQS-YLJYHZDGSA-N 1 1 313.489 3.201 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000092066055 657289297 /nfs/dbraw/zinc/28/92/97/657289297.db2.gz UECOEFAOGXPMQS-YLJYHZDGSA-N 1 1 313.489 3.201 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000092066055 657289299 /nfs/dbraw/zinc/28/92/99/657289299.db2.gz UECOEFAOGXPMQS-YLJYHZDGSA-N 1 1 313.489 3.201 20 10 DGCDMO COc1cc(C[N@@H+](C)C[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000164460706 657339920 /nfs/dbraw/zinc/33/99/20/657339920.db2.gz HFNZUVZDDNPUDK-ZDUSSCGKSA-N 1 1 307.434 3.167 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000302992390 657506760 /nfs/dbraw/zinc/50/67/60/657506760.db2.gz FGSXZEIUWKYGCG-WMLDXEAASA-N 1 1 314.404 3.456 20 10 DGCDMO CCOc1cccc(CN(CCC[NH3+])Cc2ccccc2)c1O ZINC000303985627 657583152 /nfs/dbraw/zinc/58/31/52/657583152.db2.gz HTPMKAUNGFEQNJ-UHFFFAOYSA-N 1 1 314.429 3.142 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](CCc3ccccc3)CC2)cc1 ZINC000097494624 657642306 /nfs/dbraw/zinc/64/23/06/657642306.db2.gz ZUOCCHSWWNQICP-UHFFFAOYSA-N 1 1 310.441 3.450 20 10 DGCDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000305789653 657736009 /nfs/dbraw/zinc/73/60/09/657736009.db2.gz SZIKYBFHKSAQKE-QGZVFWFLSA-N 1 1 315.413 3.174 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1O ZINC000163895181 658907207 /nfs/dbraw/zinc/90/72/07/658907207.db2.gz FZDSQPJPFSHRLA-GOSISDBHSA-N 1 1 313.397 3.283 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000164210978 658921555 /nfs/dbraw/zinc/92/15/55/658921555.db2.gz LRGBHEDNKIYZJU-SFHVURJKSA-N 1 1 324.424 3.072 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)CCOCc2ccccc2)c1O ZINC000164484017 658936848 /nfs/dbraw/zinc/93/68/48/658936848.db2.gz XUEIPJFDNAEPRR-UHFFFAOYSA-N 1 1 315.413 3.358 20 10 DGCDMO Cc1ccc(C[NH2+]Cc2cccc(Br)c2O)cn1 ZINC000060942083 659218492 /nfs/dbraw/zinc/21/84/92/659218492.db2.gz CDCLSCFDAAIEST-UHFFFAOYSA-N 1 1 307.191 3.148 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](CCN(C)C)CC(C)C)c1O ZINC000229120094 659238932 /nfs/dbraw/zinc/23/89/32/659238932.db2.gz TYTQJIQLJWMJRZ-UHFFFAOYSA-N 1 1 314.857 3.074 20 10 DGCDMO COc1cc(Cl)cc(CN(CC[NH+](C)C)CC(C)C)c1O ZINC000229120094 659238937 /nfs/dbraw/zinc/23/89/37/659238937.db2.gz TYTQJIQLJWMJRZ-UHFFFAOYSA-N 1 1 314.857 3.074 20 10 DGCDMO CSc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2O)cc1 ZINC000171937299 659307171 /nfs/dbraw/zinc/30/71/71/659307171.db2.gz VCEQYRLQFOKUAS-UHFFFAOYSA-N 1 1 316.426 3.185 20 10 DGCDMO CSc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000171937299 659307175 /nfs/dbraw/zinc/30/71/75/659307175.db2.gz VCEQYRLQFOKUAS-UHFFFAOYSA-N 1 1 316.426 3.185 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](CCCCCCCO)CC2)cc1 ZINC000173553566 659392274 /nfs/dbraw/zinc/39/22/74/659392274.db2.gz YACWAKZXWGJUJV-UHFFFAOYSA-N 1 1 320.477 3.150 20 10 DGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@@H]2C)c1O ZINC000246120488 659884815 /nfs/dbraw/zinc/88/48/15/659884815.db2.gz KHKWTVBPNFIPAH-UWVGGRQHSA-N 1 1 314.223 3.394 20 10 DGCDMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1Cc1ccccc1O ZINC000179578933 659933715 /nfs/dbraw/zinc/93/37/15/659933715.db2.gz JLEZCIKBEFEHNU-KRWDZBQOSA-N 1 1 310.441 3.489 20 10 DGCDMO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccccc1O ZINC000179578933 659933718 /nfs/dbraw/zinc/93/37/18/659933718.db2.gz JLEZCIKBEFEHNU-KRWDZBQOSA-N 1 1 310.441 3.489 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccccc1O ZINC000179578933 659933721 /nfs/dbraw/zinc/93/37/21/659933721.db2.gz JLEZCIKBEFEHNU-KRWDZBQOSA-N 1 1 310.441 3.489 20 10 DGCDMO C[C@H]1CSCC[N@H+]1Cc1cc(Br)ccc1O ZINC000179661040 659937680 /nfs/dbraw/zinc/93/76/80/659937680.db2.gz OIPAQGVVWAGXHY-VIFPVBQESA-N 1 1 302.237 3.092 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC(C)(C)O1 ZINC000068462368 659953420 /nfs/dbraw/zinc/95/34/20/659953420.db2.gz FUHUSZVGFRPAFR-GFCCVEGCSA-N 1 1 307.434 3.395 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nc(C(C)C)no2)c1 ZINC000182431972 660051913 /nfs/dbraw/zinc/05/19/13/660051913.db2.gz LEOVLLKSAJRRHR-WDEREUQCSA-N 1 1 305.378 3.319 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(CC)CC ZINC000076074119 660086589 /nfs/dbraw/zinc/08/65/89/660086589.db2.gz CVJDXSTVTCSARS-CQSZACIVSA-N 1 1 306.450 3.298 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](Cc2cnn(CCF)c2)C2CC2)cc1 ZINC000929294407 661294846 /nfs/dbraw/zinc/29/48/46/661294846.db2.gz CUPGRXZVLRFTLW-UHFFFAOYSA-N 1 1 316.424 3.083 20 10 DGCDMO Cc1nnc(CC[N@@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000929635989 661322917 /nfs/dbraw/zinc/32/29/17/661322917.db2.gz PHBSDTQYZXWJHG-UHFFFAOYSA-N 1 1 301.390 3.071 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@]2(CO)CC(C)C)c1 ZINC000188040400 661912213 /nfs/dbraw/zinc/91/22/13/661912213.db2.gz LJPINGGOLMPEKP-GOSISDBHSA-N 1 1 307.434 3.164 20 10 DGCDMO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)NC(=O)OC(C)(C)C ZINC000192689072 662108320 /nfs/dbraw/zinc/10/83/20/662108320.db2.gz IAXFMPLXHXSMSP-MNOVXSKESA-N 1 1 312.385 3.095 20 10 DGCDMO CC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000194565162 662168861 /nfs/dbraw/zinc/16/88/61/662168861.db2.gz DMXOVZRWOTUMLY-QGZVFWFLSA-N 1 1 304.434 3.060 20 10 DGCDMO CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000194565162 662168862 /nfs/dbraw/zinc/16/88/62/662168862.db2.gz DMXOVZRWOTUMLY-QGZVFWFLSA-N 1 1 304.434 3.060 20 10 DGCDMO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2n[nH]cc2Br)c1 ZINC000718126928 662230018 /nfs/dbraw/zinc/23/00/18/662230018.db2.gz RLDNYHCJRJBJME-SECBINFHSA-N 1 1 310.195 3.037 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC000245726362 662239043 /nfs/dbraw/zinc/23/90/43/662239043.db2.gz SCOHCOOEKUDALI-ZDUSSCGKSA-N 1 1 316.367 3.077 20 10 DGCDMO COc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000246042695 662246521 /nfs/dbraw/zinc/24/65/21/662246521.db2.gz AMFCHNWXRIXEEB-STQMWFEESA-N 1 1 307.434 3.308 20 10 DGCDMO COc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000246042695 662246522 /nfs/dbraw/zinc/24/65/22/662246522.db2.gz 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WYJGZMMZVBGTLT-UHFFFAOYSA-N 1 1 311.473 3.404 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142530267 1092493605 /nfs/dbraw/zinc/49/36/05/1092493605.db2.gz BJDTUKBKNZRGJI-UHFFFAOYSA-N 1 1 306.356 3.368 20 10 DGCDMO CN(C)c1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2O)cc1 ZINC001142530267 1092493612 /nfs/dbraw/zinc/49/36/12/1092493612.db2.gz BJDTUKBKNZRGJI-UHFFFAOYSA-N 1 1 306.356 3.368 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc(F)c(F)cc2O)cc1 ZINC001142530267 1092493620 /nfs/dbraw/zinc/49/36/20/1092493620.db2.gz BJDTUKBKNZRGJI-UHFFFAOYSA-N 1 1 306.356 3.368 20 10 DGCDMO CC(C)(C)c1cccc(C[NH+]2CCN(CC3CC3)CC2)c1O ZINC001143111053 1092616634 /nfs/dbraw/zinc/61/66/34/1092616634.db2.gz VSDVDDUTIVWDRS-UHFFFAOYSA-N 1 1 302.462 3.217 20 10 DGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1O ZINC001143117234 1092617695 /nfs/dbraw/zinc/61/76/95/1092617695.db2.gz YWLFGSGPPWNEDU-OAHLLOKOSA-N 1 1 314.433 3.118 20 10 DGCDMO C[C@@H]1CNC[C@H](C)[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001209886462 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CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233286000 1098274322 /nfs/dbraw/zinc/27/43/22/1098274322.db2.gz AJRTYBIYTGDXKA-HNNXBMFYSA-N 1 1 305.418 3.217 20 10 DGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC001233286123 1098274412 /nfs/dbraw/zinc/27/44/12/1098274412.db2.gz GOEAYACLMNECTD-INIZCTEOSA-N 1 1 314.433 3.118 20 10 DGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC001233286869 1098275927 /nfs/dbraw/zinc/27/59/27/1098275927.db2.gz MDFYVESMDLGQKG-UHFFFAOYSA-N 1 1 319.445 3.071 20 10 DGCDMO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1cc(C(C)(C)C)ccc1O ZINC001233287183 1098276242 /nfs/dbraw/zinc/27/62/42/1098276242.db2.gz ZVLCTPMLTQGUEC-INIZCTEOSA-N 1 1 307.434 3.319 20 10 DGCDMO CC[N@@H+](Cc1cccnc1)Cc1cc(Cl)cc(OC)c1O ZINC001233289630 1098278288 /nfs/dbraw/zinc/27/82/88/1098278288.db2.gz FDHFNIKKKUEXDC-UHFFFAOYSA-N 1 1 306.793 3.471 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](CCCCCO)C(C)C)c1O ZINC001233290793 1098278508 /nfs/dbraw/zinc/27/85/08/1098278508.db2.gz 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COc1cc(C[N@H+]2CC[C@H](CCCO)C2)c(O)c(C(C)(C)C)c1 ZINC001261677616 1107505251 /nfs/dbraw/zinc/50/52/51/1107505251.db2.gz WXEFOISMMUSLPO-AWEZNQCLSA-N 1 1 321.461 3.293 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H](C)c2cc(C)oc2C)ccc1[N+](=O)[O-] ZINC001322149843 1107545397 /nfs/dbraw/zinc/54/53/97/1107545397.db2.gz PAMXPVGRRUKXIT-JTQLQIEISA-N 1 1 320.345 3.370 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001262012426 1107573905 /nfs/dbraw/zinc/57/39/05/1107573905.db2.gz VXEVLWLUMDOKHX-SJORKVTESA-N 1 1 302.487 3.472 20 10 DGCDMO COc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](SC)C2)c(O)c1OC ZINC001262357186 1107687549 /nfs/dbraw/zinc/68/75/49/1107687549.db2.gz BSCHMLKRCRXYGM-OLZOCXBDSA-N 1 1 311.447 3.125 20 10 DGCDMO CCCC[N@H+](C)C[C@@H](C)NCc1ccc(N2CCCC2)cc1 ZINC001323890481 1108115781 /nfs/dbraw/zinc/11/57/81/1108115781.db2.gz FHFIRGNMWOPTIO-QGZVFWFLSA-N 1 1 303.494 3.497 20 10 DGCDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc(N2CCCC2)cc1 ZINC001323890481 1108115786 /nfs/dbraw/zinc/11/57/86/1108115786.db2.gz FHFIRGNMWOPTIO-QGZVFWFLSA-N 1 1 303.494 3.497 20 10 DGCDMO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H](C)[S@]1=O ZINC001323981253 1108136185 /nfs/dbraw/zinc/13/61/85/1108136185.db2.gz LDIYOIIELUWXLT-YBOAYWMSSA-N 1 1 320.502 3.018 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H](C)[S@]1=O ZINC001323981253 1108136188 /nfs/dbraw/zinc/13/61/88/1108136188.db2.gz LDIYOIIELUWXLT-YBOAYWMSSA-N 1 1 320.502 3.018 20 10 DGCDMO CCOC(=O)C[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001324337615 1108256320 /nfs/dbraw/zinc/25/63/20/1108256320.db2.gz SVUXVCJNZLPUDM-MRXNPFEDSA-N 1 1 313.397 3.463 20 10 DGCDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)c1 ZINC001324621893 1108378372 /nfs/dbraw/zinc/37/83/72/1108378372.db2.gz DKJPTOQLIKSPPJ-IBGZPJMESA-N 1 1 310.445 3.239 20 10 DGCDMO C[C@H]([N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)(C)C ZINC001324725237 1108443266 /nfs/dbraw/zinc/44/32/66/1108443266.db2.gz RNQDUQQRTOGRNL-HNNXBMFYSA-N 1 1 321.484 3.444 20 10 DGCDMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC001319947492 1108708696 /nfs/dbraw/zinc/70/86/96/1108708696.db2.gz UEDXUDOUTXWNFG-CYBMUJFWSA-N 1 1 319.836 3.234 20 10 DGCDMO CC(C)[NH+]1CCC(NCc2ccc(N3CCCC3)cc2)CC1 ZINC000393544600 1109032099 /nfs/dbraw/zinc/03/20/99/1109032099.db2.gz IVONKWJQALPKKH-UHFFFAOYSA-N 1 1 301.478 3.249 20 10 DGCDMO CC(C)N1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000393544600 1109032103 /nfs/dbraw/zinc/03/21/03/1109032103.db2.gz IVONKWJQALPKKH-UHFFFAOYSA-N 1 1 301.478 3.249 20 10 DGCDMO C[N@@H+](Cc1ccc(-c2ccccn2)nc1)Cc1ccccc1O ZINC001307537737 1111312981 /nfs/dbraw/zinc/31/29/81/1111312981.db2.gz IYLHHEXAPJUXTH-UHFFFAOYSA-N 1 1 305.381 3.481 20 10 DGCDMO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC001308269408 1111407592 /nfs/dbraw/zinc/40/75/92/1111407592.db2.gz QWYSNUVFQGYKMK-FUHIMQAGSA-N 1 1 315.505 3.353 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC001308282042 1111409882 /nfs/dbraw/zinc/40/98/82/1111409882.db2.gz CUIHNWNHZDCGRU-JTQLQIEISA-N 1 1 324.222 3.047 20 10 DGCDMO Cn1c[nH+]c2cc(NCc3cccc4c3OCCCO4)ccc21 ZINC001308313001 1111415065 /nfs/dbraw/zinc/41/50/65/1111415065.db2.gz DCCRPEKGVFJLKY-UHFFFAOYSA-N 1 1 309.369 3.347 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1F ZINC001308553122 1111443298 /nfs/dbraw/zinc/44/32/98/1111443298.db2.gz HETCWGRLVYBSND-JFIYKMOQSA-N 1 1 319.468 3.102 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1F ZINC001308553122 1111443299 /nfs/dbraw/zinc/44/32/99/1111443299.db2.gz HETCWGRLVYBSND-JFIYKMOQSA-N 1 1 319.468 3.102 20 10 DGCDMO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001308576694 1111446411 /nfs/dbraw/zinc/44/64/11/1111446411.db2.gz QTTICMYFMGBNQO-INIZCTEOSA-N 1 1 303.789 3.137 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H]2CN2CCCCC2)c(O)c1 ZINC001308578632 1111447485 /nfs/dbraw/zinc/44/74/85/1111447485.db2.gz QGDBRIHCQLLCHA-INIZCTEOSA-N 1 1 318.461 3.160 20 10 DGCDMO COc1cc(C)c(CN2CCC[C@H]2C[NH+]2CCCCC2)c(O)c1 ZINC001308578632 1111447487 /nfs/dbraw/zinc/44/74/87/1111447487.db2.gz QGDBRIHCQLLCHA-INIZCTEOSA-N 1 1 318.461 3.160 20 10 DGCDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001308764679 1111472007 /nfs/dbraw/zinc/47/20/07/1111472007.db2.gz CRLSDWWHAQBFFA-GFCCVEGCSA-N 1 1 318.383 3.364 20 10 DGCDMO CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001308920129 1111493520 /nfs/dbraw/zinc/49/35/20/1111493520.db2.gz ZWKMLGMQTHXQRB-WOJBJXKFSA-N 1 1 315.505 3.353 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H]4CCCC[C@H]34)cc2)CC1 ZINC001308917674 1111493667 /nfs/dbraw/zinc/49/36/67/1111493667.db2.gz DQCISVMTJPDPRJ-YSIASYRMSA-N 1 1 313.489 3.107 20 10 DGCDMO CC[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)[C@@H](O)c1ccccc1 ZINC001308931841 1111495530 /nfs/dbraw/zinc/49/55/30/1111495530.db2.gz VQIDDMLZZZFJHG-WBVHZDCISA-N 1 1 307.340 3.272 20 10 DGCDMO COc1cc(C)c(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c(O)c1 ZINC001308938648 1111496364 /nfs/dbraw/zinc/49/63/64/1111496364.db2.gz OVNZYFIUFHDECJ-OXJNMPFZSA-N 1 1 309.409 3.483 20 10 DGCDMO C[C@H]1CC[C@@](CO)([NH2+]Cc2cccc(F)c2O)c2ccccc21 ZINC001308984020 1111505233 /nfs/dbraw/zinc/50/52/33/1111505233.db2.gz DOYHUCWORPQPMB-DJJJIMSYSA-N 1 1 315.388 3.406 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(OC)c(O)c2)c1O ZINC000092404968 185316311 /nfs/dbraw/zinc/31/63/11/185316311.db2.gz LCWRBJCNRAZFBW-UHFFFAOYSA-N 1 1 317.385 3.137 20 10 DGCDMO Cc1ncsc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160201675 282232921 /nfs/dbraw/zinc/23/29/21/282232921.db2.gz AKAIBKJJJYGGQY-OAHLLOKOSA-N 1 1 318.442 3.338 20 10 DGCDMO Cc1ccc(O)c(CNc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000103855130 432013364 /nfs/dbraw/zinc/01/33/64/432013364.db2.gz JBKDGGPUWYHLCU-UHFFFAOYSA-N 1 1 312.413 3.145 20 10 DGCDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccccc1O ZINC000179585175 432063848 /nfs/dbraw/zinc/06/38/48/432063848.db2.gz PISXLGGYPIOIFG-LRTDBIEQSA-N 1 1 303.427 3.323 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2ccccc2O)cc(OC)c1OC ZINC000091974571 193134791 /nfs/dbraw/zinc/13/47/91/193134791.db2.gz TXNGZSBKQYJSQB-UHFFFAOYSA-N 1 1 317.385 3.050 20 10 DGCDMO CN(C)c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563587 193268794 /nfs/dbraw/zinc/26/87/94/193268794.db2.gz OVXSOFGSFCSXOO-LJQANCHMSA-N 1 1 301.478 3.203 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)c1nncn1C ZINC000268824467 432143169 /nfs/dbraw/zinc/14/31/69/432143169.db2.gz AWCBTEOUTUQMLL-LSDHHAIUSA-N 1 1 313.449 3.217 20 10 DGCDMO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)c1 ZINC000273526981 130132267 /nfs/dbraw/zinc/13/22/67/130132267.db2.gz VMCJIAPVSVZCJJ-ABAIWWIYSA-N 1 1 307.340 3.363 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(OC)cc1)c1ccc(F)cc1O ZINC000285811589 131203409 /nfs/dbraw/zinc/20/34/09/131203409.db2.gz VVSITTMKXJSASW-SJLPKXTDSA-N 1 1 319.376 3.314 20 10 DGCDMO C[C@H]([NH2+]CC(C)(C)OCCO)c1cc(Cl)c(Cl)cc1O ZINC000287421148 131280156 /nfs/dbraw/zinc/28/01/56/131280156.db2.gz SGDHRERYJJVDPK-VIFPVBQESA-N 1 1 322.232 3.137 20 10 DGCDMO OC[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000289238478 131367580 /nfs/dbraw/zinc/36/75/80/131367580.db2.gz DLWJZXKUAABADK-MWLCHTKSSA-N 1 1 323.742 3.038 20 10 DGCDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(F)ccc1O ZINC000289563849 131396577 /nfs/dbraw/zinc/39/65/77/131396577.db2.gz RYMRLTGNKVUHFO-UHFFFAOYSA-N 1 1 304.321 3.114 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c(O)c1 ZINC000092073227 400153467 /nfs/dbraw/zinc/15/34/67/400153467.db2.gz RTRUQOYYWKWMAO-HNNXBMFYSA-N 1 1 315.417 3.284 20 10 DGCDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000093360736 400242871 /nfs/dbraw/zinc/24/28/71/400242871.db2.gz QZNOKCZCGOQHLR-QGZVFWFLSA-N 1 1 324.424 3.017 20 10 DGCDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000093482182 400247888 /nfs/dbraw/zinc/24/78/88/400247888.db2.gz HOWHNLDGQNAIKW-QFBILLFUSA-N 1 1 302.462 3.412 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1O ZINC000079400262 400863579 /nfs/dbraw/zinc/86/35/79/400863579.db2.gz XJHMJQAAMQPDTH-INIZCTEOSA-N 1 1 302.349 3.399 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1O ZINC000079400262 400863584 /nfs/dbraw/zinc/86/35/84/400863584.db2.gz XJHMJQAAMQPDTH-INIZCTEOSA-N 1 1 302.349 3.399 20 10 DGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H]4C[C@@H]4C3)cc2)CC1 ZINC000852634129 620636353 /nfs/dbraw/zinc/63/63/53/620636353.db2.gz KQBNJTHCRKNLIO-IAGOWNOFSA-N 1 1 300.446 3.144 20 10 DGCDMO C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000269013671 432151626 /nfs/dbraw/zinc/15/16/26/432151626.db2.gz ODMCAZKFAUPANT-HNNXBMFYSA-N 1 1 301.478 3.420 20 10 DGCDMO COc1cccc(C[N@H+]2CCO[C@H](c3ccccc3C)C2)c1O ZINC000093478484 274146119 /nfs/dbraw/zinc/14/61/19/274146119.db2.gz OPGHFHXBRVQXMX-SFHVURJKSA-N 1 1 313.397 3.283 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c1O ZINC000289814583 276379477 /nfs/dbraw/zinc/37/94/77/276379477.db2.gz SZPQCVHWADAXMK-ZBFHGGJFSA-N 1 1 307.434 3.306 20 10 DGCDMO CCOc1cccc(CN2CCC[N@H+](C3CCCC3)CC2)c1O ZINC000179770068 276379666 /nfs/dbraw/zinc/37/96/66/276379666.db2.gz PSTKXXZCOLFMMV-UHFFFAOYSA-N 1 1 318.461 3.241 20 10 DGCDMO C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)CC1 ZINC000290478020 277032884 /nfs/dbraw/zinc/03/28/84/277032884.db2.gz NXMUFDOSQZALIW-CQSZACIVSA-N 1 1 308.853 3.209 20 10 DGCDMO C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)CC1 ZINC000290478020 277032885 /nfs/dbraw/zinc/03/28/85/277032885.db2.gz NXMUFDOSQZALIW-CQSZACIVSA-N 1 1 308.853 3.209 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000191479890 432269063 /nfs/dbraw/zinc/26/90/63/432269063.db2.gz NIWMHTPQCKCTHB-ZWZTZDBGSA-N 1 1 311.784 3.232 20 10 DGCDMO CCN1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC000173362635 432274040 /nfs/dbraw/zinc/27/40/40/432274040.db2.gz WLFCGFDGJAFYMB-VQIMIIECSA-N 1 1 301.478 3.107 20 10 DGCDMO CCCOc1ccc(C[N@@H+](C)CCc2ccncc2)c(O)c1 ZINC000183760152 432324457 /nfs/dbraw/zinc/32/44/57/432324457.db2.gz QQEYZLCCJWXWCC-UHFFFAOYSA-N 1 1 300.402 3.251 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1O ZINC000248890277 432326779 /nfs/dbraw/zinc/32/67/79/432326779.db2.gz RYDHCBMZDNAAAC-FZMZJTMJSA-N 1 1 311.809 3.055 20 10 DGCDMO C[N@@H+](Cc1cnc([C@H]2CCCO2)s1)Cc1ccccc1O ZINC000271120243 432332507 /nfs/dbraw/zinc/33/25/07/432332507.db2.gz HGBHQNNTGGXGCZ-OAHLLOKOSA-N 1 1 304.415 3.332 20 10 DGCDMO CCC[N@@H+](CC(=O)N1CCCC[C@@H]1C)Cc1ccccc1O ZINC000174371762 432341651 /nfs/dbraw/zinc/34/16/51/432341651.db2.gz FWGHMBSKRVDIAR-HNNXBMFYSA-N 1 1 304.434 3.005 20 10 DGCDMO C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000152642610 432345154 /nfs/dbraw/zinc/34/51/54/432345154.db2.gz XESVLEMQZOHSAN-OAHLLOKOSA-N 1 1 321.428 3.184 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000253352175 432391521 /nfs/dbraw/zinc/39/15/21/432391521.db2.gz NIWMHTPQCKCTHB-TZTCFGBESA-N 1 1 311.784 3.232 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000271233938 432359083 /nfs/dbraw/zinc/35/90/83/432359083.db2.gz CWHZSMZKBOQJGL-QZTJIDSGSA-N 1 1 314.429 3.434 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000184997681 432453763 /nfs/dbraw/zinc/45/37/63/432453763.db2.gz VMYULVXJILNGIL-LSDHHAIUSA-N 1 1 314.473 3.406 20 10 DGCDMO CCCCN1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000192844578 432420778 /nfs/dbraw/zinc/42/07/78/432420778.db2.gz QYDXLUMOFNZFCD-AWEZNQCLSA-N 1 1 306.450 3.316 20 10 DGCDMO C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000271832661 432426096 /nfs/dbraw/zinc/42/60/96/432426096.db2.gz OZNRPGNZJCNWPF-UHFFFAOYSA-N 1 1 301.217 3.051 20 10 DGCDMO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000185338020 432492205 /nfs/dbraw/zinc/49/22/05/432492205.db2.gz CSIVZOCMIVJCGM-LBPRGKRZSA-N 1 1 316.376 3.383 20 10 DGCDMO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(F)cc1O ZINC000185525355 432508556 /nfs/dbraw/zinc/50/85/56/432508556.db2.gz ANUYZHYPJAYBSM-ZFWWWQNUSA-N 1 1 303.377 3.348 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnn(C(C)(C)C)c2)cc1 ZINC000155199230 432544492 /nfs/dbraw/zinc/54/44/92/432544492.db2.gz OURNBXKEJOLQBQ-UHFFFAOYSA-N 1 1 300.450 3.336 20 10 DGCDMO C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccccc1O ZINC000245824113 432863834 /nfs/dbraw/zinc/86/38/34/432863834.db2.gz XHNCOTVHSFCCDD-DOTOQJQBSA-N 1 1 316.445 3.005 20 10 DGCDMO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)[nH]1 ZINC000277489533 432854657 /nfs/dbraw/zinc/85/46/57/432854657.db2.gz UCYXNTCDEPXISY-DGCLKSJQSA-N 1 1 302.422 3.486 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(OC)CC2)c1O ZINC000280107041 433002226 /nfs/dbraw/zinc/00/22/26/433002226.db2.gz AUJUIZOHOZSMRD-INIZCTEOSA-N 1 1 313.825 3.445 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C)CCCn2ccnc2C)c1O ZINC000290461510 433057521 /nfs/dbraw/zinc/05/75/21/433057521.db2.gz NBJUTVNSQKXDLS-UHFFFAOYSA-N 1 1 323.824 3.081 20 10 DGCDMO C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587009 433106356 /nfs/dbraw/zinc/10/63/56/433106356.db2.gz VAXYGNJOAAFNHZ-HZMBPMFUSA-N 1 1 317.260 3.471 20 10 DGCDMO C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587009 433106360 /nfs/dbraw/zinc/10/63/60/433106360.db2.gz VAXYGNJOAAFNHZ-HZMBPMFUSA-N 1 1 317.260 3.471 20 10 DGCDMO C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587009 433106366 /nfs/dbraw/zinc/10/63/66/433106366.db2.gz VAXYGNJOAAFNHZ-HZMBPMFUSA-N 1 1 317.260 3.471 20 10 DGCDMO C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587009 433106373 /nfs/dbraw/zinc/10/63/73/433106373.db2.gz VAXYGNJOAAFNHZ-HZMBPMFUSA-N 1 1 317.260 3.471 20 10 DGCDMO COCCCCc1ccc[nH+]c1NCc1cccc(OC)c1O ZINC000291040283 433216060 /nfs/dbraw/zinc/21/60/60/433216060.db2.gz GMDOIUNEHODYKB-UHFFFAOYSA-N 1 1 316.401 3.377 20 10 DGCDMO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Cl)c(Cl)cc1O ZINC000282464060 433610100 /nfs/dbraw/zinc/61/01/00/433610100.db2.gz VTNMDWSXHBWEAS-WPCRTTGESA-N 1 1 322.257 3.261 20 10 DGCDMO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000362385746 433675797 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CC[C@H](c1ccccc1O)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000294887906 434151920 /nfs/dbraw/zinc/15/19/20/434151920.db2.gz WDUBDKOLWZFUHU-GOEBONIOSA-N 1 1 318.461 3.457 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000365260152 434296781 /nfs/dbraw/zinc/29/67/81/434296781.db2.gz SNJAXTBBISBYLG-JTQLQIEISA-N 1 1 309.772 3.287 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000365260152 434296787 /nfs/dbraw/zinc/29/67/87/434296787.db2.gz SNJAXTBBISBYLG-JTQLQIEISA-N 1 1 309.772 3.287 20 10 DGCDMO O[C@@]1(C2CC2)CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000369682063 434598536 /nfs/dbraw/zinc/59/85/36/434598536.db2.gz BVGNQGLGCOIALQ-IBGZPJMESA-N 1 1 300.446 3.024 20 10 DGCDMO CO[C@@H](Cc1ccc(F)cc1)C[N@@H+](C)Cc1ccccc1O ZINC000528420338 435023191 /nfs/dbraw/zinc/02/31/91/435023191.db2.gz UQMNDRLJPVNTLF-KRWDZBQOSA-N 1 1 303.377 3.221 20 10 DGCDMO CCOC[C@H]1C[N@@H+](Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000530107563 435042979 /nfs/dbraw/zinc/04/29/79/435042979.db2.gz ROXLDFWGACFUTJ-MRXNPFEDSA-N 1 1 307.434 3.061 20 10 DGCDMO Cc1cc(NCc2ccc(N3CCSCC3)cc2)nc(C)[nH+]1 ZINC000301068769 336288299 /nfs/dbraw/zinc/28/82/99/336288299.db2.gz GGEIWZHUNFXGTM-UHFFFAOYSA-N 1 1 314.458 3.259 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCc3ccsc3C2)cc1OC ZINC000160509254 522776354 /nfs/dbraw/zinc/77/63/54/522776354.db2.gz TVYSUPJGYDBZKS-UHFFFAOYSA-N 1 1 305.399 3.029 20 10 DGCDMO Cc1cccc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c1O ZINC000180502633 524375208 /nfs/dbraw/zinc/37/52/08/524375208.db2.gz IEXDBTACKILLRR-OAQYLSRUSA-N 1 1 303.427 3.070 20 10 DGCDMO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000191612113 524470002 /nfs/dbraw/zinc/47/00/02/524470002.db2.gz QGXZKQDQEJJSGE-XJKSGUPXSA-N 1 1 303.377 3.094 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)c1 ZINC000367739531 524740058 /nfs/dbraw/zinc/74/00/58/524740058.db2.gz GOFSLCZHQJZZJM-LJQANCHMSA-N 1 1 313.397 3.283 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000180717849 524741294 /nfs/dbraw/zinc/74/12/94/524741294.db2.gz RWRJCFTWODZKIQ-PBHICJAKSA-N 1 1 317.385 3.082 20 10 DGCDMO Fc1cc(CNc2cc[nH+]cc2Cl)ccc1N1CCOCC1 ZINC000176821522 526298843 /nfs/dbraw/zinc/29/88/43/526298843.db2.gz YJSZUUBBRTUJDP-UHFFFAOYSA-N 1 1 321.783 3.323 20 10 DGCDMO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000179529226 527085965 /nfs/dbraw/zinc/08/59/65/527085965.db2.gz BPMIPDANUHWZHQ-UHFFFAOYSA-N 1 1 323.440 3.269 20 10 DGCDMO OCC[N@@H+](Cc1cc(F)ccc1O)[C@H]1CCc2ccccc21 ZINC000180152903 527550406 /nfs/dbraw/zinc/55/04/06/527550406.db2.gz YHSPSLBFKJFNOI-KRWDZBQOSA-N 1 1 301.361 3.013 20 10 DGCDMO CCOC(=O)N1CCC([NH2+][C@@H](CC)c2ccc(F)cc2O)CC1 ZINC000285820297 535770152 /nfs/dbraw/zinc/77/01/52/535770152.db2.gz WHPYLQAWDJJBJP-HNNXBMFYSA-N 1 1 324.396 3.193 20 10 DGCDMO CC[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(F)cc1O ZINC000286157931 535911235 /nfs/dbraw/zinc/91/12/35/535911235.db2.gz PSUYSWDNOOZUPU-RDJZCZTQSA-N 1 1 307.340 3.445 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(F)cc1O ZINC000285524861 535934935 /nfs/dbraw/zinc/93/49/35/535934935.db2.gz BHIWLCYARCEWNN-XPKDYRNWSA-N 1 1 322.424 3.219 20 10 DGCDMO O=C(C[N@H+](Cc1ccccc1O)C1CCCC1)NC1CCCC1 ZINC000731848333 574560378 /nfs/dbraw/zinc/56/03/78/574560378.db2.gz WOPKGOIWRSPDAN-UHFFFAOYSA-N 1 1 316.445 3.196 20 10 DGCDMO CCc1noc(C[N@@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000731847107 574560387 /nfs/dbraw/zinc/56/03/87/574560387.db2.gz CWAUPOYRQUIPBH-UHFFFAOYSA-N 1 1 301.390 3.282 20 10 DGCDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732275828 574569989 /nfs/dbraw/zinc/56/99/89/574569989.db2.gz CJCQNSZZZFFSDW-TZMCWYRMSA-N 1 1 316.426 3.019 20 10 DGCDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732275828 574569991 /nfs/dbraw/zinc/56/99/91/574569991.db2.gz CJCQNSZZZFFSDW-TZMCWYRMSA-N 1 1 316.426 3.019 20 10 DGCDMO C[C@H]1CCC[C@@](CNCc2ccc(N(C)C)c(F)c2)([NH+](C)C)C1 ZINC000733325815 574615907 /nfs/dbraw/zinc/61/59/07/574615907.db2.gz YOMMPPHEWJDVPK-HNAYVOBHSA-N 1 1 321.484 3.492 20 10 DGCDMO CCCC[N@@H+](C)CC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000735519512 574706097 /nfs/dbraw/zinc/70/60/97/574706097.db2.gz ASANVYWWIKSLDD-UHFFFAOYSA-N 1 1 310.463 3.038 20 10 DGCDMO CC[NH+](CC)C[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000743387620 575048455 /nfs/dbraw/zinc/04/84/55/575048455.db2.gz LLIOISBWRRHVOJ-OAHLLOKOSA-N 1 1 302.462 3.045 20 10 DGCDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)C1(C)C ZINC000750826906 575754118 /nfs/dbraw/zinc/75/41/18/575754118.db2.gz UBWXMYMEQWXKHN-HOTGVXAUSA-N 1 1 323.408 3.369 20 10 DGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2O)C1(C)C ZINC000750826906 575754120 /nfs/dbraw/zinc/75/41/20/575754120.db2.gz UBWXMYMEQWXKHN-HOTGVXAUSA-N 1 1 323.408 3.369 20 10 DGCDMO COC[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000751945628 575813611 /nfs/dbraw/zinc/81/36/11/575813611.db2.gz ALKJDXKTOOCDIX-CQSZACIVSA-N 1 1 301.386 3.165 20 10 DGCDMO CCOC(=O)CCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000726691756 576037332 /nfs/dbraw/zinc/03/73/32/576037332.db2.gz KUQNSQRJEVOXFI-UHFFFAOYSA-N 1 1 304.434 3.060 20 10 DGCDMO CC[N@@H+](Cc1cc(C(=O)OC)co1)Cc1ccc(N(C)C)cc1 ZINC000726691637 576037373 /nfs/dbraw/zinc/03/73/73/576037373.db2.gz HLQNBAHBDUOUBM-UHFFFAOYSA-N 1 1 316.401 3.154 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000852648767 620637171 /nfs/dbraw/zinc/63/71/71/620637171.db2.gz DIZHPHMSVQWMPV-UHFFFAOYSA-N 1 1 300.446 3.144 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)ccc1N1CCCCC1 ZINC000852663950 620638642 /nfs/dbraw/zinc/63/86/42/620638642.db2.gz AIDAJEUNJDKQQZ-OALUTQOASA-N 1 1 314.473 3.454 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)ccc1[O-] ZINC000853240020 620680955 /nfs/dbraw/zinc/68/09/55/620680955.db2.gz LOZBBPQQJBDKKR-UKRRQHHQSA-N 1 1 306.425 3.304 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(F)ccc1[O-] ZINC000853240020 620680956 /nfs/dbraw/zinc/68/09/56/620680956.db2.gz LOZBBPQQJBDKKR-UKRRQHHQSA-N 1 1 306.425 3.304 20 10 DGCDMO CCc1cc(C[N@@H+](C)CC2CN(C)C2)c(O)c(C(C)(C)C)c1 ZINC000853555271 620709803 /nfs/dbraw/zinc/70/98/03/620709803.db2.gz IHUNHXFMSSAAEZ-UHFFFAOYSA-N 1 1 304.478 3.246 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1C ZINC000853624093 620717217 /nfs/dbraw/zinc/71/72/17/620717217.db2.gz MKNXKUGURHRWRU-KDURUIRLSA-N 1 1 301.430 3.402 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@@](C)(C(F)F)O1 ZINC000853631371 620717865 /nfs/dbraw/zinc/71/78/65/620717865.db2.gz VPOZQLRBGIWJED-GTNSWQLSSA-N 1 1 311.372 3.125 20 10 DGCDMO C[C@@H]([NH2+]Cc1cnn(C)n1)c1ccc(N2CCCCCC2)cc1 ZINC000806168309 617648871 /nfs/dbraw/zinc/64/88/71/617648871.db2.gz IIWLGIPIICMKRK-OAHLLOKOSA-N 1 1 313.449 3.046 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(F)cc2)c(O)c1OC ZINC000891482074 617813485 /nfs/dbraw/zinc/81/34/85/617813485.db2.gz SDJWAUNEGABQKU-UHFFFAOYSA-N 1 1 305.349 3.181 20 10 DGCDMO COC(=O)c1c[nH]c(C[N@@H+](C)Cc2ccccc2O)c1C1CC1 ZINC000891714369 617877338 /nfs/dbraw/zinc/87/73/38/617877338.db2.gz XRMAXWQGSUFGKQ-UHFFFAOYSA-N 1 1 314.385 3.016 20 10 DGCDMO COc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C)c(O)c1OC ZINC000892112117 617964613 /nfs/dbraw/zinc/96/46/13/617964613.db2.gz PNNBPNIMHDIHMG-CYBMUJFWSA-N 1 1 313.397 3.356 20 10 DGCDMO CCc1cc(C[N@H+]2CC[C@H](C(=O)OC)C2)c(O)c(C(C)(C)C)c1 ZINC000919941867 620773065 /nfs/dbraw/zinc/77/30/65/620773065.db2.gz XPHWRKBBTNFRAC-AWEZNQCLSA-N 1 1 319.445 3.247 20 10 DGCDMO CN1CCCc2cc(C[NH2+]Cc3nnc(C4CC4)s3)ccc21 ZINC000892733232 618150514 /nfs/dbraw/zinc/15/05/14/618150514.db2.gz QOHFDQYCFWOQNH-UHFFFAOYSA-N 1 1 314.458 3.088 20 10 DGCDMO Cc1noc(C)c1C[NH2+]Cc1cccc(Br)c1O ZINC000112017522 620785578 /nfs/dbraw/zinc/78/55/78/620785578.db2.gz JDONUGJKQHPWQA-UHFFFAOYSA-N 1 1 311.179 3.049 20 10 DGCDMO CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000854230453 620786327 /nfs/dbraw/zinc/78/63/27/620786327.db2.gz QJNPUFVTOIJRHB-ZWNOBZJWSA-N 1 1 315.255 3.179 20 10 DGCDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C(C)C)c(O)c1OC ZINC000894583772 618394070 /nfs/dbraw/zinc/39/40/70/618394070.db2.gz AWBTYZJXVMIREQ-KRWDZBQOSA-N 1 1 305.418 3.420 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000894993314 618507216 /nfs/dbraw/zinc/50/72/16/618507216.db2.gz JCBQXVKQFMAFCO-IRXDYDNUSA-N 1 1 313.397 3.017 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000895280742 618586327 /nfs/dbraw/zinc/58/63/27/618586327.db2.gz ZSWVOFIGTMJENT-WBMJQRKESA-N 1 1 311.372 3.452 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000895280742 618586328 /nfs/dbraw/zinc/58/63/28/618586328.db2.gz ZSWVOFIGTMJENT-WBMJQRKESA-N 1 1 311.372 3.452 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc2c(cc1O)CCCC2 ZINC000925780799 618618134 /nfs/dbraw/zinc/61/81/34/618618134.db2.gz GZLCINGRXBCCJU-SWLSCSKDSA-N 1 1 324.415 3.166 20 10 DGCDMO C[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)N1CCCCC1 ZINC000790954784 625722091 /nfs/dbraw/zinc/72/20/91/625722091.db2.gz YJHMZUCCBSUWAR-LLVKDONJSA-N 1 1 300.805 3.149 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c1O ZINC000894028577 618697228 /nfs/dbraw/zinc/69/72/28/618697228.db2.gz UCBBTWYZBXPQMK-KRWDZBQOSA-N 1 1 315.413 3.265 20 10 DGCDMO COc1cc(C)cc(C[NH2+]Cc2csc([C@H](C)OC)n2)c1O ZINC000894319786 618763607 /nfs/dbraw/zinc/76/36/07/618763607.db2.gz FOLOZELDPKXFTK-NSHDSACASA-N 1 1 322.430 3.163 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@@]2(C)C(=O)OC(C)(C)C)c1O ZINC000895408504 618780083 /nfs/dbraw/zinc/78/00/83/618780083.db2.gz CXKJCZQYQUUGAZ-SFHVURJKSA-N 1 1 321.417 3.097 20 10 DGCDMO COc1ccc(C[N@@H+](CCC2CC2)CC2CC2)c(O)c1OC ZINC000895460270 618787009 /nfs/dbraw/zinc/78/70/09/618787009.db2.gz GMJABHQDRHAZQD-UHFFFAOYSA-N 1 1 305.418 3.422 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1Cl ZINC000895837594 618836537 /nfs/dbraw/zinc/83/65/37/618836537.db2.gz OAHPOYPWJYYXRD-ZDUSSCGKSA-N 1 1 323.742 3.101 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1O ZINC000895843814 618838551 /nfs/dbraw/zinc/83/85/51/618838551.db2.gz CRULTQHQPLETIY-FZMZJTMJSA-N 1 1 311.809 3.055 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1O ZINC000896226323 618888497 /nfs/dbraw/zinc/88/84/97/618888497.db2.gz DBVJXDZUWXIEAW-CYBMUJFWSA-N 1 1 319.298 3.267 20 10 DGCDMO CN(C)c1cc(F)c(C[NH2+]Cc2c(O)cccc2F)cc1F ZINC000896642395 618937905 /nfs/dbraw/zinc/93/79/05/618937905.db2.gz QQUARWWGHYFNOZ-UHFFFAOYSA-N 1 1 310.319 3.165 20 10 DGCDMO COc1cc2c(c(C[NH2+]Cc3c(O)cccc3F)c1)O[C@@H](C)C2 ZINC000896642460 618938118 /nfs/dbraw/zinc/93/81/18/618938118.db2.gz WYWYDDMPERCSOZ-NSHDSACASA-N 1 1 317.360 3.153 20 10 DGCDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000897299162 619048414 /nfs/dbraw/zinc/04/84/14/619048414.db2.gz WCALSOAOHDQTDQ-GFCCVEGCSA-N 1 1 306.406 3.361 20 10 DGCDMO Cc1csc(C[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3O)C2)n1 ZINC000897301854 619049198 /nfs/dbraw/zinc/04/91/98/619049198.db2.gz WBCNDCPDPQEVEE-NSHDSACASA-N 1 1 324.396 3.500 20 10 DGCDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C2)n1 ZINC000897301854 619049200 /nfs/dbraw/zinc/04/92/00/619049200.db2.gz WBCNDCPDPQEVEE-NSHDSACASA-N 1 1 324.396 3.500 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnn(CCF)c2)cc1 ZINC000929183604 619244201 /nfs/dbraw/zinc/24/42/01/619244201.db2.gz CCUPXVNOEAKBOG-UHFFFAOYSA-N 1 1 318.440 3.331 20 10 DGCDMO CC(C)[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1cnn(C)c1 ZINC000927069170 619261952 /nfs/dbraw/zinc/26/19/52/619261952.db2.gz LKKLJLGBNNQOSW-MEBBXXQBSA-N 1 1 309.360 3.452 20 10 DGCDMO Cc1ccoc1CNC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898449658 619276014 /nfs/dbraw/zinc/27/60/14/619276014.db2.gz IPVOFTOKXPFPLU-QGZVFWFLSA-N 1 1 301.434 3.047 20 10 DGCDMO COc1cccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1O ZINC000898516210 619283086 /nfs/dbraw/zinc/28/30/86/619283086.db2.gz NZAZILZDBKMSMR-HOCLYGCPSA-N 1 1 305.418 3.039 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000898516593 619283756 /nfs/dbraw/zinc/28/37/56/619283756.db2.gz VDRJHUHEZXTJEP-CABCVRRESA-N 1 1 305.418 3.039 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(Cl)c(Cl)c1[O-] ZINC000902478410 619638814 /nfs/dbraw/zinc/63/88/14/619638814.db2.gz WMMMXWPBOXYUQX-VZJNWSLWSA-N 1 1 301.217 3.243 20 10 DGCDMO O=C(/C=C\c1cccnc1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000902699817 619663563 /nfs/dbraw/zinc/66/35/63/619663563.db2.gz SWMZVIZSZZCIDC-LPADLIQXSA-N 1 1 319.408 3.106 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)c1c(O)cccc1F ZINC000903176582 619730310 /nfs/dbraw/zinc/73/03/10/619730310.db2.gz QOKTVZBHBKXICI-AUTRQRHGSA-N 1 1 307.287 3.292 20 10 DGCDMO CCN(C(=O)C[NH2+][C@H](C)c1ccc(F)cc1O)c1ccccc1 ZINC000903197484 619734474 /nfs/dbraw/zinc/73/44/74/619734474.db2.gz PIQMDZHPYQQDCB-CYBMUJFWSA-N 1 1 316.376 3.235 20 10 DGCDMO C[C@@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1c(O)cccc1F ZINC000903272638 619750170 /nfs/dbraw/zinc/75/01/70/619750170.db2.gz WHQNGZHHURFBTB-ZXYWRSMDSA-N 1 1 315.388 3.275 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ncc(Br)cn1)c1ccccc1O ZINC000903320636 619755582 /nfs/dbraw/zinc/75/55/82/619755582.db2.gz MVICBHUYEQTVCO-GFCCVEGCSA-N 1 1 322.206 3.186 20 10 DGCDMO C[C@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1ccc(F)cc1O ZINC000903307755 619756647 /nfs/dbraw/zinc/75/66/47/619756647.db2.gz FANQGEYSOALKET-APPDUMDISA-N 1 1 307.340 3.229 20 10 DGCDMO CC[C@H]([NH2+]C[C@@]1(OC(C)C)CCOC1)c1ccc(F)cc1O ZINC000903357220 619764594 /nfs/dbraw/zinc/76/45/94/619764594.db2.gz LAYQGZCJHPZDLD-RDJZCZTQSA-N 1 1 311.397 3.156 20 10 DGCDMO CC[C@@H]([NH2+]CCOC1CCSCC1)c1ccc(F)cc1O ZINC000903444414 619777858 /nfs/dbraw/zinc/77/78/58/619777858.db2.gz ANPSJUBFKXFSLE-OAHLLOKOSA-N 1 1 313.438 3.484 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1nccs1 ZINC000903447735 619778050 /nfs/dbraw/zinc/77/80/50/619778050.db2.gz BUDQXFCOXAWCEH-CJNGLKHVSA-N 1 1 318.490 3.163 20 10 DGCDMO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cncs1 ZINC000903448418 619778641 /nfs/dbraw/zinc/77/86/41/619778641.db2.gz PBCDBRIQPWCAFZ-BBRMVZONSA-N 1 1 318.490 3.163 20 10 DGCDMO Cc1nc([C@@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)no1 ZINC000905684889 620018846 /nfs/dbraw/zinc/01/88/46/620018846.db2.gz GHBRASPUYNLVNY-CQSZACIVSA-N 1 1 309.369 3.226 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H](C3OCCO3)C2)c(O)c(C(C)(C)C)c1 ZINC000905695318 620020875 /nfs/dbraw/zinc/02/08/75/620020875.db2.gz NLVRCBNRLMUXHF-CQSZACIVSA-N 1 1 319.445 3.193 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2COC(C)(C)C)c1O ZINC000905725229 620022429 /nfs/dbraw/zinc/02/24/29/620022429.db2.gz SRWAYZHSYWTTOD-HNNXBMFYSA-N 1 1 307.434 3.489 20 10 DGCDMO C[N@H+](Cc1nccn1C(F)F)Cc1c(O)ccc2ccncc21 ZINC000913062051 620422081 /nfs/dbraw/zinc/42/20/81/620422081.db2.gz GGLFIDMDKQDCHF-UHFFFAOYSA-N 1 1 318.327 3.164 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000153301252 620547419 /nfs/dbraw/zinc/54/74/19/620547419.db2.gz ZJEWSIXKBZEAAJ-KBPBESRZSA-N 1 1 317.458 3.392 20 10 DGCDMO c1cn(-c2ccccc2)nc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921610578 620913826 /nfs/dbraw/zinc/91/38/26/620913826.db2.gz VFRWLNYVYTZALQ-UHFFFAOYSA-N 1 1 319.408 3.487 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1CO ZINC000857061028 621053310 /nfs/dbraw/zinc/05/33/10/621053310.db2.gz IDFUGAVWSRJIDI-WMZOPIPTSA-N 1 1 302.462 3.127 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000922958013 621138131 /nfs/dbraw/zinc/13/81/31/621138131.db2.gz MQWGYSAWGQRPLZ-QGZVFWFLSA-N 1 1 319.351 3.464 20 10 DGCDMO CN(C)c1cc(F)c(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1F ZINC000858097972 621152425 /nfs/dbraw/zinc/15/24/25/621152425.db2.gz CFOBYKBZTZHKSZ-UHFFFAOYSA-N 1 1 321.327 3.229 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)c(C)n2)c1 ZINC000840783990 621198927 /nfs/dbraw/zinc/19/89/27/621198927.db2.gz OLFZFCFIYHWRMH-CYBMUJFWSA-N 1 1 314.385 3.041 20 10 DGCDMO CC[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(F)cc1O ZINC000858541096 621203029 /nfs/dbraw/zinc/20/30/29/621203029.db2.gz RWOFXKJWFVQVFF-OAHLLOKOSA-N 1 1 322.424 3.221 20 10 DGCDMO CCn1nncc1C[N@@H+](Cc1ccccc1O)C1CCCCC1 ZINC000838846685 621289805 /nfs/dbraw/zinc/28/98/05/621289805.db2.gz YRMFKINFDGOSKH-UHFFFAOYSA-N 1 1 314.433 3.339 20 10 DGCDMO Cc1cc(Br)cc(C[NH+]2CC3(CC(F)C3)C2)c1O ZINC000839140510 621340561 /nfs/dbraw/zinc/34/05/61/621340561.db2.gz RJEOMPRXDSCRFI-UHFFFAOYSA-N 1 1 314.198 3.397 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000839192366 621347778 /nfs/dbraw/zinc/34/77/78/621347778.db2.gz OCYBFBBZFRCJBD-QWRGUYRKSA-N 1 1 314.248 3.153 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000839192366 621347780 /nfs/dbraw/zinc/34/77/80/621347780.db2.gz OCYBFBBZFRCJBD-QWRGUYRKSA-N 1 1 314.248 3.153 20 10 DGCDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)[nH]1 ZINC000752924594 621416123 /nfs/dbraw/zinc/41/61/23/621416123.db2.gz HTYTWOZOCSUMII-NWDGAFQWSA-N 1 1 319.428 3.374 20 10 DGCDMO CCOC(=O)CC[N@H+](Cc1cc(C)cc(C)c1O)CC1CC1 ZINC000754720794 621527683 /nfs/dbraw/zinc/52/76/83/621527683.db2.gz QHLTZKKINFSQLC-UHFFFAOYSA-N 1 1 305.418 3.174 20 10 DGCDMO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(C)cc(C)c1O)C2 ZINC000754727464 621528551 /nfs/dbraw/zinc/52/85/51/621528551.db2.gz XHNJMKSLFNKSPD-UHFFFAOYSA-N 1 1 311.381 3.311 20 10 DGCDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(C)cc(C)c1O)C2 ZINC000754727464 621528552 /nfs/dbraw/zinc/52/85/52/621528552.db2.gz XHNJMKSLFNKSPD-UHFFFAOYSA-N 1 1 311.381 3.311 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC000754736839 621529402 /nfs/dbraw/zinc/52/94/02/621529402.db2.gz NWLNAILVGIYEDQ-AAEUAGOBSA-N 1 1 303.324 3.161 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC000754736839 621529404 /nfs/dbraw/zinc/52/94/04/621529404.db2.gz NWLNAILVGIYEDQ-AAEUAGOBSA-N 1 1 303.324 3.161 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@]1(C)CCCS1 ZINC000862214502 621562570 /nfs/dbraw/zinc/56/25/70/621562570.db2.gz SXDMURZJTVRUNE-SFHVURJKSA-N 1 1 320.502 3.241 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1F ZINC000862252419 621568113 /nfs/dbraw/zinc/56/81/13/621568113.db2.gz TWJVLSKDOZJSIH-WBMJQRKESA-N 1 1 310.388 3.032 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CC1(C)C ZINC000862385680 621582327 /nfs/dbraw/zinc/58/23/27/621582327.db2.gz AWHJFVBUVYFRAM-INIZCTEOSA-N 1 1 312.404 3.278 20 10 DGCDMO CN1C[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)CCC1=O ZINC000862428438 621588620 /nfs/dbraw/zinc/58/86/20/621588620.db2.gz QGHFIPAJGMOBKB-SFHVURJKSA-N 1 1 324.424 3.112 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485138 621594931 /nfs/dbraw/zinc/59/49/31/621594931.db2.gz HSBDAWPSZCKOBZ-DOMZBBRYSA-N 1 1 323.408 3.331 20 10 DGCDMO C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756363660 621631406 /nfs/dbraw/zinc/63/14/06/621631406.db2.gz QCZQDTLRLTUVAM-KBPBESRZSA-N 1 1 321.421 3.216 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)c(F)c2)c1 ZINC000756366504 621631911 /nfs/dbraw/zinc/63/19/11/621631911.db2.gz SYRSMJVUHTWULF-LBPRGKRZSA-N 1 1 317.360 3.477 20 10 DGCDMO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)c2c1c(F)ccc2O ZINC000756402610 621635432 /nfs/dbraw/zinc/63/54/32/621635432.db2.gz VXDCMCHNEQGYNF-JMSVASOKSA-N 1 1 304.409 3.154 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2Cc3ccccc32)c1 ZINC000756535846 621645768 /nfs/dbraw/zinc/64/57/68/621645768.db2.gz RUDPWPCKIPNHIK-SWLSCSKDSA-N 1 1 311.381 3.169 20 10 DGCDMO CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756546346 621646394 /nfs/dbraw/zinc/64/63/94/621646394.db2.gz OWFDCATVSIKMCA-QWHCGFSZSA-N 1 1 312.404 3.441 20 10 DGCDMO COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000756549317 621647359 /nfs/dbraw/zinc/64/73/59/621647359.db2.gz DVTWMWKJJKOAAT-ZDUSSCGKSA-N 1 1 324.440 3.071 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cc(C(C)C)no2)c1 ZINC000756573879 621650142 /nfs/dbraw/zinc/65/01/42/621650142.db2.gz SOIWPIZMBFTLMR-NSHDSACASA-N 1 1 318.373 3.141 20 10 DGCDMO CCSCC[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756618425 621653284 /nfs/dbraw/zinc/65/32/84/621653284.db2.gz PXNGTRYJTVLFFP-VXGBXAGGSA-N 1 1 311.447 3.361 20 10 DGCDMO COC(C)(C)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756644536 621655608 /nfs/dbraw/zinc/65/56/08/621655608.db2.gz BAZFCOUEVHDRDN-QMMMGPOBSA-N 1 1 320.202 3.369 20 10 DGCDMO C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc(F)cc1O ZINC000756705823 621658818 /nfs/dbraw/zinc/65/88/18/621658818.db2.gz VSORQHXGVVBKDI-LLVKDONJSA-N 1 1 303.333 3.153 20 10 DGCDMO Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)n[nH]1 ZINC000756764333 621662883 /nfs/dbraw/zinc/66/28/83/621662883.db2.gz GGSHYFICUVYOAF-PKFCDNJMSA-N 1 1 303.381 3.332 20 10 DGCDMO [NH3+]C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1C(F)(F)F ZINC000863645975 621693275 /nfs/dbraw/zinc/69/32/75/621693275.db2.gz OZHJDYCLPVBECJ-MNOVXSKESA-N 1 1 322.758 3.005 20 10 DGCDMO [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1C(F)(F)F ZINC000863645975 621693277 /nfs/dbraw/zinc/69/32/77/621693277.db2.gz OZHJDYCLPVBECJ-MNOVXSKESA-N 1 1 322.758 3.005 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCCS2)c1 ZINC000757659772 621731955 /nfs/dbraw/zinc/73/19/55/621731955.db2.gz ZJGGVUCOAFGFFP-AAEUAGOBSA-N 1 1 309.431 3.115 20 10 DGCDMO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000757892320 621745361 /nfs/dbraw/zinc/74/53/61/621745361.db2.gz RPGJZQQFAGZEAJ-KRWDZBQOSA-N 1 1 324.472 3.026 20 10 DGCDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000757892320 621745362 /nfs/dbraw/zinc/74/53/62/621745362.db2.gz RPGJZQQFAGZEAJ-KRWDZBQOSA-N 1 1 324.472 3.026 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c1O ZINC000758288844 621773161 /nfs/dbraw/zinc/77/31/61/621773161.db2.gz GDESETPCOCBVFN-GOSISDBHSA-N 1 1 319.445 3.490 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000865777008 621993240 /nfs/dbraw/zinc/99/32/40/621993240.db2.gz BMJNWOZGODECDC-LLVKDONJSA-N 1 1 313.800 3.481 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2CC(C)(C)OCC2(C)C)c1O ZINC000761202815 621993939 /nfs/dbraw/zinc/99/39/39/621993939.db2.gz MVFMYECLLHMPSD-UHFFFAOYSA-N 1 1 313.825 3.444 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC(C)(C)OCC2(C)C)c1O ZINC000761202815 621993942 /nfs/dbraw/zinc/99/39/42/621993942.db2.gz MVFMYECLLHMPSD-UHFFFAOYSA-N 1 1 313.825 3.444 20 10 DGCDMO CC(C)(C)C(=O)N1CC[N@H+](Cc2cc(F)ccc2O)C(C)(C)C1 ZINC000761214287 621994865 /nfs/dbraw/zinc/99/48/65/621994865.db2.gz BWXFJJUJVWLJMB-UHFFFAOYSA-N 1 1 322.424 3.000 20 10 DGCDMO CC(C)(C)C(=O)N1CC[N@@H+](Cc2cc(F)ccc2O)C(C)(C)C1 ZINC000761214287 621994866 /nfs/dbraw/zinc/99/48/66/621994866.db2.gz BWXFJJUJVWLJMB-UHFFFAOYSA-N 1 1 322.424 3.000 20 10 DGCDMO Cn1cc(C(F)F)c(C[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000865808715 621999217 /nfs/dbraw/zinc/99/92/17/621999217.db2.gz BFBKCFIJCRHRGC-UHFFFAOYSA-N 1 1 301.724 3.007 20 10 DGCDMO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000865873738 622013277 /nfs/dbraw/zinc/01/32/77/622013277.db2.gz HNBGHGNLDCAHBQ-PWSUYJOCSA-N 1 1 316.239 3.102 20 10 DGCDMO CCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000764610132 622207344 /nfs/dbraw/zinc/20/73/44/622207344.db2.gz MUUJNNAHMQMSIR-KRWDZBQOSA-N 1 1 318.461 3.395 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)Cc2cc(C)ccc2F)cc1OC ZINC000766629492 622343204 /nfs/dbraw/zinc/34/32/04/622343204.db2.gz CBYLBPBJDAOBNG-UHFFFAOYSA-N 1 1 319.376 3.489 20 10 DGCDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)cccc1Cl ZINC000768198513 622444727 /nfs/dbraw/zinc/44/47/27/622444727.db2.gz URWCMCRFEKLEEO-UHFFFAOYSA-N 1 1 305.761 3.406 20 10 DGCDMO Oc1ccc(Cl)cc1CN1CC[NH+](Cc2cccs2)CC1 ZINC000768198285 622445010 /nfs/dbraw/zinc/44/50/10/622445010.db2.gz RNPOCZUJQXVGNT-UHFFFAOYSA-N 1 1 322.861 3.425 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cn(C)nc2C)cc1 ZINC000768208947 622445493 /nfs/dbraw/zinc/44/54/93/622445493.db2.gz WGWTVYUWUJSXQH-UHFFFAOYSA-N 1 1 300.450 3.207 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@@H+](CC)CC(=O)N(C)C)cc1 ZINC000768308969 622449692 /nfs/dbraw/zinc/44/96/92/622449692.db2.gz VKYDIGONBGTDPP-UHFFFAOYSA-N 1 1 319.493 3.223 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccccc1)[C@H](O)CO2 ZINC000768441434 622456469 /nfs/dbraw/zinc/45/64/69/622456469.db2.gz LNUKAKRRNSFNSB-SJLPKXTDSA-N 1 1 311.381 3.155 20 10 DGCDMO COc1cc(C[N@@H+]2CCC[C@H]2CN2CCCCC2)c(O)cc1C ZINC000768446283 622456667 /nfs/dbraw/zinc/45/66/67/622456667.db2.gz JHMZLRFRUURMQG-KRWDZBQOSA-N 1 1 318.461 3.160 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H]2CN2CCCCC2)c(O)cc1C ZINC000768446283 622456668 /nfs/dbraw/zinc/45/66/68/622456668.db2.gz JHMZLRFRUURMQG-KRWDZBQOSA-N 1 1 318.461 3.160 20 10 DGCDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768446239 622456844 /nfs/dbraw/zinc/45/68/44/622456844.db2.gz LROPACMFOGHOBO-WMLDXEAASA-N 1 1 319.445 3.466 20 10 DGCDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768465572 622458151 /nfs/dbraw/zinc/45/81/51/622458151.db2.gz ISCJFYYHZFJIRK-VMGRFDJRSA-N 1 1 305.418 3.219 20 10 DGCDMO COC(=O)c1ccc(C[N@@H+](C)Cc2c(O)cccc2Cl)cc1 ZINC000768782262 622476940 /nfs/dbraw/zinc/47/69/40/622476940.db2.gz CIPFLUYUIAEQFC-UHFFFAOYSA-N 1 1 319.788 3.464 20 10 DGCDMO COc1cccc(C[N@H+](C)Cc2ccn(-c3ccccc3)n2)c1O ZINC000768917843 622485299 /nfs/dbraw/zinc/48/52/99/622485299.db2.gz AGAVIVZZIGKTPM-UHFFFAOYSA-N 1 1 323.396 3.219 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2ccn(-c3ccccc3)n2)c1O ZINC000768917843 622485300 /nfs/dbraw/zinc/48/53/00/622485300.db2.gz AGAVIVZZIGKTPM-UHFFFAOYSA-N 1 1 323.396 3.219 20 10 DGCDMO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000768929532 622486087 /nfs/dbraw/zinc/48/60/87/622486087.db2.gz IXRPWMNWGRBSST-GFCCVEGCSA-N 1 1 313.353 3.077 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c(O)c1 ZINC000769146519 622502058 /nfs/dbraw/zinc/50/20/58/622502058.db2.gz IIRIGYFPKQBCNO-INIZCTEOSA-N 1 1 319.426 3.426 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)c(O)c1 ZINC000769146519 622502061 /nfs/dbraw/zinc/50/20/61/622502061.db2.gz IIRIGYFPKQBCNO-INIZCTEOSA-N 1 1 319.426 3.426 20 10 DGCDMO c1cc(N2CCCCC2)ccc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000769159453 622503563 /nfs/dbraw/zinc/50/35/63/622503563.db2.gz CCRUILBRVBFFLU-HXUWFJFHSA-N 1 1 313.489 3.347 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000769159453 622503565 /nfs/dbraw/zinc/50/35/65/622503565.db2.gz CCRUILBRVBFFLU-HXUWFJFHSA-N 1 1 313.489 3.347 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000769159453 622503567 /nfs/dbraw/zinc/50/35/67/622503567.db2.gz CCRUILBRVBFFLU-HXUWFJFHSA-N 1 1 313.489 3.347 20 10 DGCDMO CN(C)c1ccc(CN2CCC[N@H+](C(C)(C)C)CC2)cc1F ZINC000769189936 622506918 /nfs/dbraw/zinc/50/69/18/622506918.db2.gz YHTDTQMQCXCLFZ-UHFFFAOYSA-N 1 1 307.457 3.198 20 10 DGCDMO COC(=O)CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000769403243 622525203 /nfs/dbraw/zinc/52/52/03/622525203.db2.gz BCNDAVHUXUKDSY-UHFFFAOYSA-N 1 1 318.461 3.450 20 10 DGCDMO C[C@H]1SCC[N@@H+](Cc2cc(Br)ccc2O)[C@@H]1C ZINC000769447012 622528459 /nfs/dbraw/zinc/52/84/59/622528459.db2.gz RLYCYXKKQUFTJO-NXEZZACHSA-N 1 1 316.264 3.481 20 10 DGCDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769484603 622533142 /nfs/dbraw/zinc/53/31/42/622533142.db2.gz XMWYCEYSRIVUCQ-KRWDZBQOSA-N 1 1 322.452 3.470 20 10 DGCDMO CN(C)c1ccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000769516960 622537157 /nfs/dbraw/zinc/53/71/57/622537157.db2.gz WOLMVMUJHLBELL-QGZVFWFLSA-N 1 1 319.468 3.055 20 10 DGCDMO O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871204422 622568042 /nfs/dbraw/zinc/56/80/42/622568042.db2.gz IQAYDOFDMMIZPY-QGZVFWFLSA-N 1 1 314.429 3.032 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1F ZINC000770292664 622618871 /nfs/dbraw/zinc/61/88/71/622618871.db2.gz NWZRPDGJWHXJIU-YJBOKZPZSA-N 1 1 308.441 3.265 20 10 DGCDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1cccc(OC)c1O ZINC000770353766 622623809 /nfs/dbraw/zinc/62/38/09/622623809.db2.gz ULPQTLAUAJYDLQ-HOTGVXAUSA-N 1 1 307.434 3.426 20 10 DGCDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1cccc(OC)c1O ZINC000770353767 622623892 /nfs/dbraw/zinc/62/38/92/622623892.db2.gz ULPQTLAUAJYDLQ-HZPDHXFCSA-N 1 1 307.434 3.426 20 10 DGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2c(O)cccc2OC)C12CCC2 ZINC000770351756 622624294 /nfs/dbraw/zinc/62/42/94/622624294.db2.gz KQPQYVYPOSCQHC-IRXDYDNUSA-N 1 1 305.418 3.180 20 10 DGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c(O)cccc2OC)C12CCC2 ZINC000770351752 622624351 /nfs/dbraw/zinc/62/43/51/622624351.db2.gz KQPQYVYPOSCQHC-DLBZAZTESA-N 1 1 305.418 3.180 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)CCc3cnccn3)c2c1 ZINC000770662726 622657706 /nfs/dbraw/zinc/65/77/06/622657706.db2.gz XQFHOHFKWHDEAH-UHFFFAOYSA-N 1 1 323.396 3.019 20 10 DGCDMO CC[C@H](C)C[NH2+]Cc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000771828741 622800211 /nfs/dbraw/zinc/80/02/11/622800211.db2.gz BPVPLFGAPMYBAV-HNNXBMFYSA-N 1 1 307.457 3.103 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(OC(C)C)CCC2)c1 ZINC000872117142 622817942 /nfs/dbraw/zinc/81/79/42/622817942.db2.gz ZAMSECDIVZHLBV-CYBMUJFWSA-N 1 1 321.417 3.177 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@]23CCC[C@H]2OCC3)c1O ZINC000872313917 622889301 /nfs/dbraw/zinc/88/93/01/622889301.db2.gz SYBFEYVFIDJHHO-ZBFHGGJFSA-N 1 1 309.793 3.049 20 10 DGCDMO CCC1([NH+](C)C)CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000872669255 622950217 /nfs/dbraw/zinc/95/02/17/622950217.db2.gz DGOZOJDHYWQHCT-UHFFFAOYSA-N 1 1 313.445 3.247 20 10 DGCDMO CCC1([NH+](C)C)CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000872668392 622950242 /nfs/dbraw/zinc/95/02/42/622950242.db2.gz GPGXEKPQXCDXLM-UHFFFAOYSA-N 1 1 302.462 3.187 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1O ZINC000773262209 623006004 /nfs/dbraw/zinc/00/60/04/623006004.db2.gz OIZHEZOGFOTEFZ-HZPDHXFCSA-N 1 1 319.445 3.348 20 10 DGCDMO CCCN1CCC([N@H+](C)Cc2ccc(N(C)CC)cc2)CC1 ZINC000773752485 623067740 /nfs/dbraw/zinc/06/77/40/623067740.db2.gz CHAYIQUPLFJXFQ-UHFFFAOYSA-N 1 1 303.494 3.449 20 10 DGCDMO CCCN1CCC([N@@H+](C)Cc2ccc(N(C)CC)cc2)CC1 ZINC000773752485 623067749 /nfs/dbraw/zinc/06/77/49/623067749.db2.gz CHAYIQUPLFJXFQ-UHFFFAOYSA-N 1 1 303.494 3.449 20 10 DGCDMO CCC[NH+]1CCC(N(C)Cc2ccc(N(C)CC)cc2)CC1 ZINC000773752485 623067756 /nfs/dbraw/zinc/06/77/56/623067756.db2.gz CHAYIQUPLFJXFQ-UHFFFAOYSA-N 1 1 303.494 3.449 20 10 DGCDMO CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773753300 623067791 /nfs/dbraw/zinc/06/77/91/623067791.db2.gz FPKRKPBNANIQNY-SFHVURJKSA-N 1 1 303.494 3.306 20 10 DGCDMO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(N(C)CC)cc2)C1 ZINC000773753300 623067813 /nfs/dbraw/zinc/06/78/13/623067813.db2.gz FPKRKPBNANIQNY-SFHVURJKSA-N 1 1 303.494 3.306 20 10 DGCDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(N(C)CC)cc2)C1 ZINC000773753300 623067819 /nfs/dbraw/zinc/06/78/19/623067819.db2.gz FPKRKPBNANIQNY-SFHVURJKSA-N 1 1 303.494 3.306 20 10 DGCDMO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774963995 623211928 /nfs/dbraw/zinc/21/19/28/623211928.db2.gz MOWITFDTXHGWTB-AAEUAGOBSA-N 1 1 308.378 3.367 20 10 DGCDMO COc1c(O)c(C[NH2+]Cc2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000775037151 623219237 /nfs/dbraw/zinc/21/92/37/623219237.db2.gz LQISIICHRPUHHX-UHFFFAOYSA-N 1 1 316.357 3.216 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000775056109 623222204 /nfs/dbraw/zinc/22/22/04/623222204.db2.gz VTWMANYEGBFTAV-FPMFFAJLSA-N 1 1 320.389 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000775056109 623222207 /nfs/dbraw/zinc/22/22/07/623222207.db2.gz VTWMANYEGBFTAV-FPMFFAJLSA-N 1 1 320.389 3.320 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+](C)Cc3cccs3)cc2)CC1 ZINC000775643473 623301758 /nfs/dbraw/zinc/30/17/58/623301758.db2.gz YRWHEFYVQOROAJ-UHFFFAOYSA-N 1 1 315.486 3.132 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+](C)Cc3cccs3)cc2)CC1 ZINC000775643473 623301765 /nfs/dbraw/zinc/30/17/65/623301765.db2.gz YRWHEFYVQOROAJ-UHFFFAOYSA-N 1 1 315.486 3.132 20 10 DGCDMO CC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)C1CCCC1 ZINC000775652943 623304632 /nfs/dbraw/zinc/30/46/32/623304632.db2.gz WMXXZQIRNOVTDF-UHFFFAOYSA-N 1 1 301.478 3.203 20 10 DGCDMO CC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)C1CCCC1 ZINC000775652943 623304637 /nfs/dbraw/zinc/30/46/37/623304637.db2.gz WMXXZQIRNOVTDF-UHFFFAOYSA-N 1 1 301.478 3.203 20 10 DGCDMO CCCNC(=O)C[N@@H+](CCC)Cc1cc(Cl)cc(C)c1O ZINC000775659101 623307889 /nfs/dbraw/zinc/30/78/89/623307889.db2.gz WVCCSFXDBGSSHH-UHFFFAOYSA-N 1 1 312.841 3.092 20 10 DGCDMO Oc1c(F)cc(Cl)cc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000775665089 623308355 /nfs/dbraw/zinc/30/83/55/623308355.db2.gz XJOAQZHFJHABBE-AWEZNQCLSA-N 1 1 312.816 3.245 20 10 DGCDMO CC(C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775689319 623314485 /nfs/dbraw/zinc/31/44/85/623314485.db2.gz CRXWFEJGXNNIDD-IBGZPJMESA-N 1 1 315.505 3.306 20 10 DGCDMO CC(C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775689319 623314487 /nfs/dbraw/zinc/31/44/87/623314487.db2.gz CRXWFEJGXNNIDD-IBGZPJMESA-N 1 1 315.505 3.306 20 10 DGCDMO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775702752 623315824 /nfs/dbraw/zinc/31/58/24/623315824.db2.gz WLTHQWKBLWLTPL-IRXDYDNUSA-N 1 1 301.478 3.059 20 10 DGCDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775702752 623315831 /nfs/dbraw/zinc/31/58/31/623315831.db2.gz WLTHQWKBLWLTPL-IRXDYDNUSA-N 1 1 301.478 3.059 20 10 DGCDMO Cc1cccc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)c1O ZINC000775709590 623316939 /nfs/dbraw/zinc/31/69/39/623316939.db2.gz VBFRRGMQPQGXQD-SFHVURJKSA-N 1 1 324.424 3.328 20 10 DGCDMO COC(=O)c1sccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775829241 623338731 /nfs/dbraw/zinc/33/87/31/623338731.db2.gz XTSXEGFPVFTGTD-GFCCVEGCSA-N 1 1 318.442 3.452 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H](C)CN1C ZINC000775987746 623361275 /nfs/dbraw/zinc/36/12/75/623361275.db2.gz WFESPXFEXNVRAX-IRXDYDNUSA-N 1 1 301.478 3.201 20 10 DGCDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000775987746 623361278 /nfs/dbraw/zinc/36/12/78/623361278.db2.gz WFESPXFEXNVRAX-IRXDYDNUSA-N 1 1 301.478 3.201 20 10 DGCDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000775987746 623361283 /nfs/dbraw/zinc/36/12/83/623361283.db2.gz WFESPXFEXNVRAX-IRXDYDNUSA-N 1 1 301.478 3.201 20 10 DGCDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775997422 623362621 /nfs/dbraw/zinc/36/26/21/623362621.db2.gz ASMWQYAPVBYOEU-RHSMWYFYSA-N 1 1 306.425 3.283 20 10 DGCDMO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000776693464 623452537 /nfs/dbraw/zinc/45/25/37/623452537.db2.gz UCTGGDVYPTZGLG-HNNXBMFYSA-N 1 1 317.816 3.489 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000776693464 623452539 /nfs/dbraw/zinc/45/25/39/623452539.db2.gz UCTGGDVYPTZGLG-HNNXBMFYSA-N 1 1 317.816 3.489 20 10 DGCDMO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000776693466 623452553 /nfs/dbraw/zinc/45/25/53/623452553.db2.gz UCTGGDVYPTZGLG-OAHLLOKOSA-N 1 1 317.816 3.489 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000776693466 623452555 /nfs/dbraw/zinc/45/25/55/623452555.db2.gz UCTGGDVYPTZGLG-OAHLLOKOSA-N 1 1 317.816 3.489 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000776769900 623461631 /nfs/dbraw/zinc/46/16/31/623461631.db2.gz ZAUJHYSSKSELBE-SFHVURJKSA-N 1 1 312.413 3.331 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](n3cncn3)C2)c(O)c(C(C)(C)C)c1 ZINC000776774376 623462697 /nfs/dbraw/zinc/46/26/97/623462697.db2.gz BSZMLUCPUYXUPA-HNNXBMFYSA-N 1 1 314.433 3.037 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)c1O ZINC000777220970 623506627 /nfs/dbraw/zinc/50/66/27/623506627.db2.gz WZUULJQUZYEFQW-LLVKDONJSA-N 1 1 312.841 3.089 20 10 DGCDMO COc1ccc(O)c(C[N@@H+]2CCc3cc(OC)c(F)cc3C2)c1 ZINC000777440597 623526169 /nfs/dbraw/zinc/52/61/69/623526169.db2.gz MMAFMSNMWRCZTQ-UHFFFAOYSA-N 1 1 317.360 3.107 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCc3cc(OC)c(F)cc3C2)c1 ZINC000777440597 623526173 /nfs/dbraw/zinc/52/61/73/623526173.db2.gz MMAFMSNMWRCZTQ-UHFFFAOYSA-N 1 1 317.360 3.107 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000777551174 623540892 /nfs/dbraw/zinc/54/08/92/623540892.db2.gz LOWVKMAJTRPVJX-MRXNPFEDSA-N 1 1 312.413 3.331 20 10 DGCDMO COc1cc2c(cc1OC)C[N@@H+](Cc1c(C)cccc1O)CC2 ZINC000876531981 623635407 /nfs/dbraw/zinc/63/54/07/623635407.db2.gz WHOZYZBPTHQXIA-UHFFFAOYSA-N 1 1 313.397 3.276 20 10 DGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000876534671 623636519 /nfs/dbraw/zinc/63/65/19/623636519.db2.gz FPEUYPQDZXFMKO-UHFFFAOYSA-N 1 1 314.429 3.181 20 10 DGCDMO CSC(C)(C)CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000876551087 623641842 /nfs/dbraw/zinc/64/18/42/623641842.db2.gz JUYBDWIUALSREG-UHFFFAOYSA-N 1 1 322.518 3.487 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(Cl)nn2)C2CC2)cc1 ZINC000876570542 623647806 /nfs/dbraw/zinc/64/78/06/623647806.db2.gz FVLUSQXABSEMIV-UHFFFAOYSA-N 1 1 316.836 3.361 20 10 DGCDMO Cc1occc1C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876634747 623665768 /nfs/dbraw/zinc/66/57/68/623665768.db2.gz AVJPCNYYZMHZNR-UHFFFAOYSA-N 1 1 314.429 3.181 20 10 DGCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000876657801 623672370 /nfs/dbraw/zinc/67/23/70/623672370.db2.gz RRKYMOUGSWJMOR-HOTGVXAUSA-N 1 1 302.462 3.268 20 10 DGCDMO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)c(O)c1 ZINC000876682784 623681070 /nfs/dbraw/zinc/68/10/70/623681070.db2.gz OGYGLXSVHMBTCB-GOSISDBHSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)c(O)c1 ZINC000876682784 623681074 /nfs/dbraw/zinc/68/10/74/623681074.db2.gz OGYGLXSVHMBTCB-GOSISDBHSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c(O)c1 ZINC000876681874 623681294 /nfs/dbraw/zinc/68/12/94/623681294.db2.gz AVHKOHIZTVDWGX-GOSISDBHSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1ccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c(O)c1 ZINC000876681874 623681298 /nfs/dbraw/zinc/68/12/98/623681298.db2.gz AVHKOHIZTVDWGX-GOSISDBHSA-N 1 1 301.361 3.413 20 10 DGCDMO CCCn1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)nn1 ZINC000876722416 623689661 /nfs/dbraw/zinc/68/96/61/623689661.db2.gz UJEXCUGCMOYDIG-UHFFFAOYSA-N 1 1 314.433 3.339 20 10 DGCDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000779035399 623723990 /nfs/dbraw/zinc/72/39/90/623723990.db2.gz ZJAZMWONOHSJQV-SGTLLEGYSA-N 1 1 301.361 3.355 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000877189316 623822847 /nfs/dbraw/zinc/82/28/47/623822847.db2.gz MKWRILKFOFTHNQ-GXTWGEPZSA-N 1 1 324.415 3.413 20 10 DGCDMO Cc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c(O)c1 ZINC000877377600 623862157 /nfs/dbraw/zinc/86/21/57/623862157.db2.gz RISAZNDKQWHDBY-HNNXBMFYSA-N 1 1 305.418 3.254 20 10 DGCDMO CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877528872 623926348 /nfs/dbraw/zinc/92/63/48/623926348.db2.gz NAXPKNOKFMUHJK-UHFFFAOYSA-N 1 1 323.387 3.342 20 10 DGCDMO CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877528872 623926356 /nfs/dbraw/zinc/92/63/56/623926356.db2.gz NAXPKNOKFMUHJK-UHFFFAOYSA-N 1 1 323.387 3.342 20 10 DGCDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531910 623927425 /nfs/dbraw/zinc/92/74/25/623927425.db2.gz ROBPSGBQKDDEEQ-MRXNPFEDSA-N 1 1 322.518 3.221 20 10 DGCDMO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(O)c1 ZINC000877561094 623941697 /nfs/dbraw/zinc/94/16/97/623941697.db2.gz HQHNCZYQKWJLJO-HKUYNNGSSA-N 1 1 315.388 3.001 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000877560851 623941703 /nfs/dbraw/zinc/94/17/03/623941703.db2.gz BWDWXOWUWZOEDU-PKOBYXMFSA-N 1 1 315.388 3.001 20 10 DGCDMO CCOc1cccc(C[N@@H+](CCO)Cc2c(C)cccc2O)c1 ZINC000877577542 623950663 /nfs/dbraw/zinc/95/06/63/623950663.db2.gz XNWBFYCKHMAYES-UHFFFAOYSA-N 1 1 315.413 3.094 20 10 DGCDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877590732 623954321 /nfs/dbraw/zinc/95/43/21/623954321.db2.gz FTAZHJKZCZYZIN-OAHLLOKOSA-N 1 1 302.462 3.268 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@@H](CCF)C3)cc2)CC1 ZINC000877631934 623970839 /nfs/dbraw/zinc/97/08/39/623970839.db2.gz WSKXZAMPBDRXPX-INIZCTEOSA-N 1 1 320.452 3.219 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCCC(F)(F)CC3)cc2)CC1 ZINC000877652588 623978606 /nfs/dbraw/zinc/97/86/06/623978606.db2.gz LHEROTOBVVRANV-UHFFFAOYSA-N 1 1 324.415 3.269 20 10 DGCDMO [O-]c1c(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)ccc(F)c1F ZINC000877653428 623979030 /nfs/dbraw/zinc/97/90/30/623979030.db2.gz KDYSHOYFOMDTQQ-SFHVURJKSA-N 1 1 319.351 3.154 20 10 DGCDMO COc1c(O)c(C[NH2+]Cc2csc(C)c2C)ccc1[N+](=O)[O-] ZINC000877675081 623987963 /nfs/dbraw/zinc/98/79/63/623987963.db2.gz VLOGQMVANIGEIR-UHFFFAOYSA-N 1 1 322.386 3.277 20 10 DGCDMO CCC1([NH+](C)C)CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000877690283 623994113 /nfs/dbraw/zinc/99/41/13/623994113.db2.gz PLVGXPZVRKVUNN-UHFFFAOYSA-N 1 1 314.832 3.491 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000877713332 624002336 /nfs/dbraw/zinc/00/23/36/624002336.db2.gz GPKOZRISHCHJGW-MRXNPFEDSA-N 1 1 309.413 3.080 20 10 DGCDMO C[N@H+]1CC[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)CC[C@@H]21 ZINC000877741268 624013689 /nfs/dbraw/zinc/01/36/89/624013689.db2.gz AEMUXDSNVKWFNY-ICSRJNTNSA-N 1 1 313.489 3.203 20 10 DGCDMO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877756435 624023109 /nfs/dbraw/zinc/02/31/09/624023109.db2.gz VVKANYVLWZFEHI-IBGZPJMESA-N 1 1 313.397 3.283 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(C)(C)O)C2)c1O ZINC000877796331 624037245 /nfs/dbraw/zinc/03/72/45/624037245.db2.gz DDKSTYVBAKSYNF-LBPRGKRZSA-N 1 1 313.825 3.037 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1 ZINC000877825389 624058274 /nfs/dbraw/zinc/05/82/74/624058274.db2.gz ZLCYKFPBEHERSJ-BXUZGUMPSA-N 1 1 303.324 3.242 20 10 DGCDMO CO[C@@H](C[NH2+]Cc1cc(C)cc(Br)c1O)C(C)C ZINC000781632119 624110314 /nfs/dbraw/zinc/11/03/14/624110314.db2.gz HCUPSBXBHBRAGW-ZDUSSCGKSA-N 1 1 316.239 3.224 20 10 DGCDMO COc1cccc2c1CC[N@@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000782290611 624233559 /nfs/dbraw/zinc/23/35/59/624233559.db2.gz HVUURDPDOLQJAP-UHFFFAOYSA-N 1 1 309.409 3.448 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc3c(o2)CCCC3)c1 ZINC000878359906 624255537 /nfs/dbraw/zinc/25/55/37/624255537.db2.gz DLABLNSVFBELFU-NSHDSACASA-N 1 1 302.374 3.118 20 10 DGCDMO COCC[N@@H+](Cc1cc(C(C)C)c(C)cc1O)[C@@H]1CCOC1 ZINC000782964400 624296365 /nfs/dbraw/zinc/29/63/65/624296365.db2.gz VCIGTYSAHADTAJ-MRXNPFEDSA-N 1 1 307.434 3.061 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000783735862 624389795 /nfs/dbraw/zinc/38/97/95/624389795.db2.gz UBXXJIGRWLIDDQ-MJGOQNOKSA-N 1 1 302.462 3.127 20 10 DGCDMO Cc1ccc([C@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)cc1 ZINC000784025010 624424154 /nfs/dbraw/zinc/42/41/54/624424154.db2.gz JBGHRUOABLOCOI-HNNXBMFYSA-N 1 1 311.381 3.419 20 10 DGCDMO C[C@H]([NH2+]Cc1nnc(C(F)(F)F)s1)c1ccccc1O ZINC000879650140 624623098 /nfs/dbraw/zinc/62/30/98/624623098.db2.gz LGPGVJIGFADXSJ-ZETCQYMHSA-N 1 1 303.309 3.113 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](c3nccs3)C2)c1O ZINC000880316820 624914448 /nfs/dbraw/zinc/91/44/48/624914448.db2.gz HTDDWQIXSQQIIT-NSHDSACASA-N 1 1 320.389 3.180 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCOCC(F)F)cc1 ZINC000787152760 624984069 /nfs/dbraw/zinc/98/40/69/624984069.db2.gz ZYEUEGOVCGNFNT-UHFFFAOYSA-N 1 1 300.393 3.246 20 10 DGCDMO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000787441749 625010686 /nfs/dbraw/zinc/01/06/86/625010686.db2.gz ZVRPTESEBLIBII-KRWDZBQOSA-N 1 1 304.434 3.059 20 10 DGCDMO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000787441749 625010689 /nfs/dbraw/zinc/01/06/89/625010689.db2.gz ZVRPTESEBLIBII-KRWDZBQOSA-N 1 1 304.434 3.059 20 10 DGCDMO Cc1cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)n(C)n1 ZINC000788815517 625274064 /nfs/dbraw/zinc/27/40/64/625274064.db2.gz CJIIDFNBRGUZII-JTQLQIEISA-N 1 1 313.323 3.304 20 10 DGCDMO CCn1nc(C)c(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1C ZINC000790955517 625722317 /nfs/dbraw/zinc/72/23/17/625722317.db2.gz RRJNCIJLDVNHQH-UHFFFAOYSA-N 1 1 311.788 3.308 20 10 DGCDMO COC1CCC(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790974433 625726964 /nfs/dbraw/zinc/72/69/64/625726964.db2.gz VOHITNUINYIMPZ-UHFFFAOYSA-N 1 1 301.789 3.480 20 10 DGCDMO CC(C)Oc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cn1 ZINC000882895843 625849129 /nfs/dbraw/zinc/84/91/29/625849129.db2.gz VUUZXNMGBYXOND-UHFFFAOYSA-N 1 1 308.328 3.142 20 10 DGCDMO COCc1cc(C[NH2+]Cc2cc(F)cc(F)c2O)ccc1F ZINC000882989076 625886693 /nfs/dbraw/zinc/88/66/93/625886693.db2.gz YTDKXXFUXVMFMM-UHFFFAOYSA-N 1 1 311.303 3.246 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCc1nc2c(s1)CCCC2 ZINC000882997110 625890870 /nfs/dbraw/zinc/89/08/70/625890870.db2.gz XOKFLYOLRSVQQZ-UHFFFAOYSA-N 1 1 324.396 3.338 20 10 DGCDMO CCOC(=O)C1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCC1 ZINC000792173703 625919814 /nfs/dbraw/zinc/91/98/14/625919814.db2.gz IWEUCIZXEMGBDT-UHFFFAOYSA-N 1 1 315.772 3.008 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](CCOC)[C@H]2CC[C@H](C)C2)c1 ZINC000792193716 625923906 /nfs/dbraw/zinc/92/39/06/625923906.db2.gz YXNQRLQVCUCZRG-HOCLYGCPSA-N 1 1 307.434 3.428 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000883192497 625964079 /nfs/dbraw/zinc/96/40/79/625964079.db2.gz AKSPFCYCHBBNAL-WBVHZDCISA-N 1 1 305.324 3.290 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(F)cc1O ZINC000796665699 626071196 /nfs/dbraw/zinc/07/11/96/626071196.db2.gz KONHLIJPNJECLI-HIFRSBDPSA-N 1 1 317.360 3.412 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1 ZINC000796694289 626074146 /nfs/dbraw/zinc/07/41/46/626074146.db2.gz KZNPKPNRUFKILB-XUVXKRRUSA-N 1 1 315.505 3.495 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1O ZINC000796704158 626074990 /nfs/dbraw/zinc/07/49/90/626074990.db2.gz XKFXLMYXBSCMFZ-YJBOKZPZSA-N 1 1 317.404 3.423 20 10 DGCDMO CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1O ZINC000796735946 626077907 /nfs/dbraw/zinc/07/79/07/626077907.db2.gz BCHONCGTRYXNIP-AAEUAGOBSA-N 1 1 320.330 3.209 20 10 DGCDMO CC[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(F)cc1O ZINC000796780343 626081501 /nfs/dbraw/zinc/08/15/01/626081501.db2.gz RAUHJRUXKGZQTN-DOTOQJQBSA-N 1 1 303.377 3.176 20 10 DGCDMO CC[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1O ZINC000796837321 626088059 /nfs/dbraw/zinc/08/80/59/626088059.db2.gz WOFGEKQBNWATDA-GDBMZVCRSA-N 1 1 323.408 3.300 20 10 DGCDMO Oc1ccc(F)cc1CNC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000798088232 626193369 /nfs/dbraw/zinc/19/33/69/626193369.db2.gz KPBZYSHLOITUFK-KRWDZBQOSA-N 1 1 306.425 3.418 20 10 DGCDMO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000798088232 626193371 /nfs/dbraw/zinc/19/33/71/626193371.db2.gz KPBZYSHLOITUFK-KRWDZBQOSA-N 1 1 306.425 3.418 20 10 DGCDMO CN(CCC[NH+]1CCCC1)Cc1c(O)ccc(Cl)c1F ZINC000798958247 626262436 /nfs/dbraw/zinc/26/24/36/626262436.db2.gz RAHJAVKCTNRVDP-UHFFFAOYSA-N 1 1 300.805 3.102 20 10 DGCDMO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000799149776 626275502 /nfs/dbraw/zinc/27/55/02/626275502.db2.gz SEKSDMYIXIXKKN-GOSISDBHSA-N 1 1 322.412 3.401 20 10 DGCDMO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)no1 ZINC000800502362 626365373 /nfs/dbraw/zinc/36/53/73/626365373.db2.gz AQKNIYYCGVNEIH-HUUCEWRRSA-N 1 1 315.417 3.231 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]CCCOC(F)F)c1 ZINC000800895653 626383394 /nfs/dbraw/zinc/38/33/94/626383394.db2.gz SRFRHGNXOVTYFC-UHFFFAOYSA-N 1 1 324.165 3.182 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)N(C)C(C)C ZINC000801596882 626411637 /nfs/dbraw/zinc/41/16/37/626411637.db2.gz SKMOREBBUXXMAM-HNNXBMFYSA-N 1 1 306.450 3.250 20 10 DGCDMO CCCC[N@@H+](CCC(=O)NC1CCCC1)Cc1ccccc1O ZINC000801596849 626411892 /nfs/dbraw/zinc/41/18/92/626411892.db2.gz QZOZZMJSNWHAJG-UHFFFAOYSA-N 1 1 318.461 3.443 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+]2CCOc3cccc(F)c3C2)c1 ZINC000802655791 626565378 /nfs/dbraw/zinc/56/53/78/626565378.db2.gz CPFZYAAHHIITIB-UHFFFAOYSA-N 1 1 317.360 3.325 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCOc3cccc(F)c3C2)c1 ZINC000802655791 626565380 /nfs/dbraw/zinc/56/53/80/626565380.db2.gz CPFZYAAHHIITIB-UHFFFAOYSA-N 1 1 317.360 3.325 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(C)CC(F)(F)C2)c1 ZINC000883256050 626625571 /nfs/dbraw/zinc/62/55/71/626625571.db2.gz MHNGGHKUOYKJEN-SNVBAGLBSA-N 1 1 313.344 3.265 20 10 DGCDMO C[C@@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000807274341 626752943 /nfs/dbraw/zinc/75/29/43/626752943.db2.gz OIUZLYVYKQEVPK-CRAIPNDOSA-N 1 1 317.477 3.194 20 10 DGCDMO COc1cc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c(O)cc1C ZINC000840093744 626755708 /nfs/dbraw/zinc/75/57/08/626755708.db2.gz JWGSBOHEFODGTC-INIZCTEOSA-N 1 1 305.418 3.100 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)CCCC2 ZINC000840119976 626771960 /nfs/dbraw/zinc/77/19/60/626771960.db2.gz JVMIQAZNJDEKMW-IPMKNSEASA-N 1 1 315.457 3.396 20 10 DGCDMO C[C@H]1[C@@H](N2CCCC2)CC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000808194787 626805425 /nfs/dbraw/zinc/80/54/25/626805425.db2.gz ZWXHNSVGTQFUBT-KXBFYZLASA-N 1 1 314.473 3.330 20 10 DGCDMO C[C@H]1[C@@H](N2CCCC2)CC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000808194787 626805427 /nfs/dbraw/zinc/80/54/27/626805427.db2.gz ZWXHNSVGTQFUBT-KXBFYZLASA-N 1 1 314.473 3.330 20 10 DGCDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2c(O)ccc3ccncc32)C12CCC2 ZINC000840138067 626826313 /nfs/dbraw/zinc/82/63/13/626826313.db2.gz CKOSAQLZHKUSFY-ZWKOTPCHSA-N 1 1 312.413 3.330 20 10 DGCDMO Cc1csc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC000133846168 626842926 /nfs/dbraw/zinc/84/29/26/626842926.db2.gz MWRORJXPQFTDQR-UHFFFAOYSA-N 1 1 323.849 3.133 20 10 DGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c1O ZINC000808675592 626848055 /nfs/dbraw/zinc/84/80/55/626848055.db2.gz MNJPYPMPXMDGQZ-CHWSQXEVSA-N 1 1 308.853 3.489 20 10 DGCDMO CCC1([NH+]2CCC2)CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000884475219 626886127 /nfs/dbraw/zinc/88/61/27/626886127.db2.gz BQIXHFHLAFEUIW-UHFFFAOYSA-N 1 1 314.473 3.331 20 10 DGCDMO COCC[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809544419 626918258 /nfs/dbraw/zinc/91/82/58/626918258.db2.gz IWFCUIQDYGQTBK-UHFFFAOYSA-N 1 1 310.441 3.328 20 10 DGCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1c(O)ccc(Cl)c1F ZINC000809696974 626937791 /nfs/dbraw/zinc/93/77/91/626937791.db2.gz BDTDPWLFGRLDII-DJEXJWGGSA-N 1 1 311.784 3.040 20 10 DGCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1c(O)ccc(Cl)c1F ZINC000809696974 626937794 /nfs/dbraw/zinc/93/77/94/626937794.db2.gz BDTDPWLFGRLDII-DJEXJWGGSA-N 1 1 311.784 3.040 20 10 DGCDMO CC[N@H+]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000809697794 626937998 /nfs/dbraw/zinc/93/79/98/626937998.db2.gz OPFDDKQYESWXEW-QGZVFWFLSA-N 1 1 301.478 3.203 20 10 DGCDMO CCN1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000809697794 626938001 /nfs/dbraw/zinc/93/80/01/626938001.db2.gz OPFDDKQYESWXEW-QGZVFWFLSA-N 1 1 301.478 3.203 20 10 DGCDMO CCN1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000809697794 626938003 /nfs/dbraw/zinc/93/80/03/626938003.db2.gz OPFDDKQYESWXEW-QGZVFWFLSA-N 1 1 301.478 3.203 20 10 DGCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1c(O)ccc(Cl)c1F ZINC000809696979 626938259 /nfs/dbraw/zinc/93/82/59/626938259.db2.gz BDTDPWLFGRLDII-SEFSZJDBSA-N 1 1 311.784 3.040 20 10 DGCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1c(O)ccc(Cl)c1F ZINC000809696979 626938262 /nfs/dbraw/zinc/93/82/62/626938262.db2.gz BDTDPWLFGRLDII-SEFSZJDBSA-N 1 1 311.784 3.040 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCOc3ccc(C)cc3C2)c(O)c1 ZINC000809703042 626938479 /nfs/dbraw/zinc/93/84/79/626938479.db2.gz CLGOODBOLKYLEN-UHFFFAOYSA-N 1 1 313.397 3.494 20 10 DGCDMO CCC[N@H+](CCN1CCCCC1)Cc1c(O)cccc1OC ZINC000809704907 626939310 /nfs/dbraw/zinc/93/93/10/626939310.db2.gz ILZUMIFTOQCAOF-UHFFFAOYSA-N 1 1 306.450 3.099 20 10 DGCDMO CCC[N@@H+](CCN1CCCCC1)Cc1c(O)cccc1OC ZINC000809704907 626939313 /nfs/dbraw/zinc/93/93/13/626939313.db2.gz ILZUMIFTOQCAOF-UHFFFAOYSA-N 1 1 306.450 3.099 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(O)c1 ZINC000809758691 626948105 /nfs/dbraw/zinc/94/81/05/626948105.db2.gz TXVYTQMQRBFDGZ-HZPDHXFCSA-N 1 1 319.445 3.430 20 10 DGCDMO C[C@@]1(CCCO)CCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000809757723 626948291 /nfs/dbraw/zinc/94/82/91/626948291.db2.gz SFBWHSRPVWYWAZ-HNNXBMFYSA-N 1 1 301.789 3.312 20 10 DGCDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000809757723 626948293 /nfs/dbraw/zinc/94/82/93/626948293.db2.gz SFBWHSRPVWYWAZ-HNNXBMFYSA-N 1 1 301.789 3.312 20 10 DGCDMO CCOCc1cc(CN[C@H](C)C[N@@H+](C)C(C)C)ccc1OC ZINC000810172663 626984581 /nfs/dbraw/zinc/98/45/81/626984581.db2.gz NCVVBUUYWVQLTO-OAHLLOKOSA-N 1 1 308.466 3.050 20 10 DGCDMO CCOCc1cc(C[NH2+][C@H](C)CN(C)C(C)C)ccc1OC ZINC000810172663 626984582 /nfs/dbraw/zinc/98/45/82/626984582.db2.gz NCVVBUUYWVQLTO-OAHLLOKOSA-N 1 1 308.466 3.050 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1C[C@@]12CCOC2 ZINC000885960107 627070011 /nfs/dbraw/zinc/07/00/11/627070011.db2.gz GXZWXGQZCYOAIF-IEBWSBKVSA-N 1 1 302.462 3.390 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1c(O)cccc1F ZINC000886513089 627155408 /nfs/dbraw/zinc/15/54/08/627155408.db2.gz SZKVYMZGBJYEDG-QWHCGFSZSA-N 1 1 301.361 3.433 20 10 DGCDMO COc1ccc(C[NH2+][C@H](C)c2c(O)cccc2F)cc1[N+](=O)[O-] ZINC000886516478 627155645 /nfs/dbraw/zinc/15/56/45/627155645.db2.gz JKAWWBZVLMHRPB-SNVBAGLBSA-N 1 1 320.320 3.299 20 10 DGCDMO COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886524824 627156863 /nfs/dbraw/zinc/15/68/63/627156863.db2.gz RRTUDXZELARYOO-ZDUSSCGKSA-N 1 1 324.440 3.071 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1c(O)cccc1F ZINC000886530519 627157935 /nfs/dbraw/zinc/15/79/35/627157935.db2.gz LWLCOXQIUXBYTG-HIFRSBDPSA-N 1 1 303.377 3.348 20 10 DGCDMO C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1c(O)cccc1F ZINC000886555238 627162404 /nfs/dbraw/zinc/16/24/04/627162404.db2.gz NYEDAIMXKTXIBH-XIKOKIGWSA-N 1 1 301.361 3.016 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1c(O)cccc1F ZINC000886553895 627162550 /nfs/dbraw/zinc/16/25/50/627162550.db2.gz XRDBRDPSOHHGOL-MKBNYLNASA-N 1 1 311.422 3.237 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccncc2)C1)c1c(O)cccc1F ZINC000886620134 627174955 /nfs/dbraw/zinc/17/49/55/627174955.db2.gz CJMSTNKOUMCJHN-RVSPLBMKSA-N 1 1 316.376 3.497 20 10 DGCDMO C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1c(O)cccc1F ZINC000886640100 627178588 /nfs/dbraw/zinc/17/85/88/627178588.db2.gz RJJGCBZDOOJLRJ-DCGLDWPTSA-N 1 1 303.377 3.347 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1c([O-])cccc1F ZINC000886639841 627178664 /nfs/dbraw/zinc/17/86/64/627178664.db2.gz MRBKWGMSHOAFDY-UKRRQHHQSA-N 1 1 306.425 3.304 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1c(O)cccc1F ZINC000886642056 627178738 /nfs/dbraw/zinc/17/87/38/627178738.db2.gz ZCGCVMSXEWYIKK-SKDRFNHKSA-N 1 1 317.286 3.182 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1c(O)cccc1F ZINC000886643284 627179058 /nfs/dbraw/zinc/17/90/58/627179058.db2.gz QBSVWYRPXGFAMX-NHYWBVRUSA-N 1 1 314.360 3.009 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](c3ncccn3)C2)cc1 ZINC000886685984 627190105 /nfs/dbraw/zinc/19/01/05/627190105.db2.gz HTBAUVXVRDTDDA-QGZVFWFLSA-N 1 1 310.445 3.312 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cn3cccnc3n2)cc1 ZINC000887567999 627286582 /nfs/dbraw/zinc/28/65/82/627286582.db2.gz OQMGQOGLQOQNCA-UHFFFAOYSA-N 1 1 323.444 3.208 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cn3cccnc3n2)cc1 ZINC000887567999 627286585 /nfs/dbraw/zinc/28/65/85/627286585.db2.gz OQMGQOGLQOQNCA-UHFFFAOYSA-N 1 1 323.444 3.208 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811790536 627322432 /nfs/dbraw/zinc/32/24/32/627322432.db2.gz NCQJNAGBMYWQPW-RBUKOAKNSA-N 1 1 324.424 3.474 20 10 DGCDMO CC[N@H+](Cc1cc(C)cc(Br)c1O)[C@@H]1CCOC1 ZINC000812780718 627419680 /nfs/dbraw/zinc/41/96/80/627419680.db2.gz PCHDBWJLTCPLRG-GFCCVEGCSA-N 1 1 314.223 3.074 20 10 DGCDMO CC[N@@H+](Cc1cc(C)cc(Br)c1O)[C@@H]1CCOC1 ZINC000812780718 627419681 /nfs/dbraw/zinc/41/96/81/627419681.db2.gz PCHDBWJLTCPLRG-GFCCVEGCSA-N 1 1 314.223 3.074 20 10 DGCDMO COCC1(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)CCC1 ZINC000812823606 627425604 /nfs/dbraw/zinc/42/56/04/627425604.db2.gz GRGIMDCLLVTRNF-UHFFFAOYSA-N 1 1 318.461 3.024 20 10 DGCDMO Cc1cccc(C[N@@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1O ZINC000814176832 627546191 /nfs/dbraw/zinc/54/61/91/627546191.db2.gz VVXMVWURBJTHFM-LBPRGKRZSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1cccc(C[N@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1O ZINC000814176832 627546193 /nfs/dbraw/zinc/54/61/93/627546193.db2.gz VVXMVWURBJTHFM-LBPRGKRZSA-N 1 1 303.324 3.242 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178490 627546873 /nfs/dbraw/zinc/54/68/73/627546873.db2.gz RUMYWJKGADEFSU-GFCCVEGCSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178490 627546876 /nfs/dbraw/zinc/54/68/76/627546876.db2.gz RUMYWJKGADEFSU-GFCCVEGCSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178491 627547078 /nfs/dbraw/zinc/54/70/78/627547078.db2.gz RUMYWJKGADEFSU-LBPRGKRZSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178491 627547080 /nfs/dbraw/zinc/54/70/80/627547080.db2.gz RUMYWJKGADEFSU-LBPRGKRZSA-N 1 1 313.800 3.433 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)ccc1N(C)C ZINC000815095081 627625918 /nfs/dbraw/zinc/62/59/18/627625918.db2.gz LXMUQWFQIYUKNH-SFHVURJKSA-N 1 1 302.462 3.452 20 10 DGCDMO CCC1(CC)C[N@H+](Cc2ccc(N(C)C)c(C)c2)CC[S@@]1=O ZINC000815094929 627626007 /nfs/dbraw/zinc/62/60/07/627626007.db2.gz PTJQREQDHWOIIO-QFIPXVFZSA-N 1 1 322.518 3.184 20 10 DGCDMO CCC1(CC)C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CC[S@@]1=O ZINC000815094929 627626011 /nfs/dbraw/zinc/62/60/11/627626011.db2.gz PTJQREQDHWOIIO-QFIPXVFZSA-N 1 1 322.518 3.184 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000815118808 627629714 /nfs/dbraw/zinc/62/97/14/627629714.db2.gz MEZKCOCZNUQXLS-KRWDZBQOSA-N 1 1 318.852 3.440 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000815118277 627629722 /nfs/dbraw/zinc/62/97/22/627629722.db2.gz USDPHQPJTAVTRE-UHFFFAOYSA-N 1 1 312.413 3.243 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000815118277 627629724 /nfs/dbraw/zinc/62/97/24/627629724.db2.gz USDPHQPJTAVTRE-UHFFFAOYSA-N 1 1 312.413 3.243 20 10 DGCDMO Cc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)ccc1N(C)C ZINC000815119746 627630055 /nfs/dbraw/zinc/63/00/55/627630055.db2.gz GHQOGZRTALGZEF-ZWKOTPCHSA-N 1 1 302.462 3.450 20 10 DGCDMO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815558676 627684933 /nfs/dbraw/zinc/68/49/33/627684933.db2.gz KTIVULZTFOEDJG-QWRGUYRKSA-N 1 1 313.323 3.347 20 10 DGCDMO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc(C(F)(F)F)c1O ZINC000815577977 627686394 /nfs/dbraw/zinc/68/63/94/627686394.db2.gz DYSJEFQHBDEJPU-YMTOWFKASA-N 1 1 303.324 3.223 20 10 DGCDMO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815583040 627687863 /nfs/dbraw/zinc/68/78/63/627687863.db2.gz VNHUGXZMNCUXPU-VDDIYKPWSA-N 1 1 323.380 3.174 20 10 DGCDMO C[C@H]([NH2+][C@@H](CCO)C1CC1)c1cccc(C(F)(F)F)c1O ZINC000815594763 627689198 /nfs/dbraw/zinc/68/91/98/627689198.db2.gz XMWNUPAIEKBQCQ-ZANVPECISA-N 1 1 303.324 3.223 20 10 DGCDMO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815626249 627692452 /nfs/dbraw/zinc/69/24/52/627692452.db2.gz ZHYBNXQFEMRASP-QWRGUYRKSA-N 1 1 305.340 3.326 20 10 DGCDMO CO[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C1CC1 ZINC000815651680 627694872 /nfs/dbraw/zinc/69/48/72/627694872.db2.gz ZUHLJBFQFUPDGC-ZANVPECISA-N 1 1 303.324 3.487 20 10 DGCDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000816515145 627800766 /nfs/dbraw/zinc/80/07/66/627800766.db2.gz QTDQMNAASIYZEI-DGCLKSJQSA-N 1 1 314.832 3.489 20 10 DGCDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000816515145 627800768 /nfs/dbraw/zinc/80/07/68/627800768.db2.gz QTDQMNAASIYZEI-DGCLKSJQSA-N 1 1 314.832 3.489 20 10 DGCDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000816515145 627800769 /nfs/dbraw/zinc/80/07/69/627800769.db2.gz QTDQMNAASIYZEI-DGCLKSJQSA-N 1 1 314.832 3.489 20 10 DGCDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816516380 627800838 /nfs/dbraw/zinc/80/08/38/627800838.db2.gz CXNGSOKNJQPNPK-OAHLLOKOSA-N 1 1 315.413 3.030 20 10 DGCDMO C[C@@H](CN1CCC[C@H](C)C1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816538218 627804445 /nfs/dbraw/zinc/80/44/45/627804445.db2.gz JJCPUWWQDWKWGT-RYUDHWBXSA-N 1 1 314.832 3.395 20 10 DGCDMO CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816543520 627804811 /nfs/dbraw/zinc/80/48/11/627804811.db2.gz DMYALFKQYSXFOH-NSHDSACASA-N 1 1 300.805 3.006 20 10 DGCDMO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816550440 627805702 /nfs/dbraw/zinc/80/57/02/627805702.db2.gz RCUXXEIFFLTUPY-BDJLRTHQSA-N 1 1 323.795 3.439 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC1(O)CCCCCC1 ZINC000816552094 627806065 /nfs/dbraw/zinc/80/60/65/627806065.db2.gz APIFZQBXRQEBBF-UHFFFAOYSA-N 1 1 301.789 3.360 20 10 DGCDMO CC1(C)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@H]2CCCO[C@H]21 ZINC000816555145 627806889 /nfs/dbraw/zinc/80/68/89/627806889.db2.gz VJZZNZPZNUWYFT-VCTAVGKDSA-N 1 1 313.800 3.478 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000816557824 627807321 /nfs/dbraw/zinc/80/73/21/627807321.db2.gz CEWLNDKILIGVCQ-QGZVFWFLSA-N 1 1 321.779 3.108 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000816557823 627807688 /nfs/dbraw/zinc/80/76/88/627807688.db2.gz CEWLNDKILIGVCQ-KRWDZBQOSA-N 1 1 321.779 3.108 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@H]1CCCC[C@@H]1O ZINC000816564440 627808302 /nfs/dbraw/zinc/80/83/02/627808302.db2.gz GFKFHRYIXDOZEO-YGRLFVJLSA-N 1 1 301.789 3.168 20 10 DGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@H]1CCCC[C@@H]1O ZINC000816564440 627808304 /nfs/dbraw/zinc/80/83/04/627808304.db2.gz GFKFHRYIXDOZEO-YGRLFVJLSA-N 1 1 301.789 3.168 20 10 DGCDMO C[C@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCO[C@H]1C1CC1 ZINC000816570775 627810082 /nfs/dbraw/zinc/81/00/82/627810082.db2.gz HDYWWVKFYIQLJU-JKSUJKDBSA-N 1 1 313.800 3.480 20 10 DGCDMO C[C@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCO[C@@H]1C1CC1 ZINC000816570774 627810236 /nfs/dbraw/zinc/81/02/36/627810236.db2.gz HDYWWVKFYIQLJU-HZPDHXFCSA-N 1 1 313.800 3.480 20 10 DGCDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816594945 627812552 /nfs/dbraw/zinc/81/25/52/627812552.db2.gz UDHVTCIPOQMTHF-ZYHUDNBSSA-N 1 1 301.789 3.310 20 10 DGCDMO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816594945 627812557 /nfs/dbraw/zinc/81/25/57/627812557.db2.gz UDHVTCIPOQMTHF-ZYHUDNBSSA-N 1 1 301.789 3.310 20 10 DGCDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816594945 627812561 /nfs/dbraw/zinc/81/25/61/627812561.db2.gz UDHVTCIPOQMTHF-ZYHUDNBSSA-N 1 1 301.789 3.310 20 10 DGCDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816611782 627814808 /nfs/dbraw/zinc/81/48/08/627814808.db2.gz XEBQOXYAKVKMGH-INIZCTEOSA-N 1 1 307.397 3.268 20 10 DGCDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816611783 627814893 /nfs/dbraw/zinc/81/48/93/627814893.db2.gz XEBQOXYAKVKMGH-MRXNPFEDSA-N 1 1 307.397 3.268 20 10 DGCDMO CC[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000816625139 627816564 /nfs/dbraw/zinc/81/65/64/627816564.db2.gz TWPMLYCQYPYJCX-AULYBMBSSA-N 1 1 308.378 3.367 20 10 DGCDMO C[N@H+](Cc1c(O)cccc1Cl)C[C@H](O)Cc1ccccc1 ZINC000816625150 627816682 /nfs/dbraw/zinc/81/66/82/627816682.db2.gz ULNUWQXUIJCZOF-CQSZACIVSA-N 1 1 305.805 3.081 20 10 DGCDMO Cc1cc(Cl)cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1O ZINC000816643064 627818173 /nfs/dbraw/zinc/81/81/73/627818173.db2.gz UDTJHSMRWPDUAQ-KRWDZBQOSA-N 1 1 308.853 3.272 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000816641727 627818373 /nfs/dbraw/zinc/81/83/73/627818373.db2.gz CZYSSJHCWPUTLK-HXUWFJFHSA-N 1 1 315.505 3.451 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000816641727 627818376 /nfs/dbraw/zinc/81/83/76/627818376.db2.gz CZYSSJHCWPUTLK-HXUWFJFHSA-N 1 1 315.505 3.451 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000816641727 627818379 /nfs/dbraw/zinc/81/83/79/627818379.db2.gz CZYSSJHCWPUTLK-HXUWFJFHSA-N 1 1 315.505 3.451 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000816641727 627818381 /nfs/dbraw/zinc/81/83/81/627818381.db2.gz CZYSSJHCWPUTLK-HXUWFJFHSA-N 1 1 315.505 3.451 20 10 DGCDMO CN1CCC[C@]2(CC[N@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816642073 627818565 /nfs/dbraw/zinc/81/85/65/627818565.db2.gz OQHMNSMIXZPZOH-FQEVSTJZSA-N 1 1 310.441 3.463 20 10 DGCDMO CN1CCC[C@]2(CC[N@@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816642073 627818570 /nfs/dbraw/zinc/81/85/70/627818570.db2.gz OQHMNSMIXZPZOH-FQEVSTJZSA-N 1 1 310.441 3.463 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000816665999 627822694 /nfs/dbraw/zinc/82/26/94/627822694.db2.gz BPDCOODJUAGWLO-DLBZAZTESA-N 1 1 307.821 3.497 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000816665999 627822695 /nfs/dbraw/zinc/82/26/95/627822695.db2.gz BPDCOODJUAGWLO-DLBZAZTESA-N 1 1 307.821 3.497 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1)OCO2 ZINC000817365391 627889905 /nfs/dbraw/zinc/88/99/05/627889905.db2.gz OTDOCYIIBDDRRD-SNVBAGLBSA-N 1 1 317.307 3.285 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000817894843 627954476 /nfs/dbraw/zinc/95/44/76/627954476.db2.gz QRVZSFSHBSGROH-UZLBHIALSA-N 1 1 311.473 3.109 20 10 DGCDMO Cc1cc(N(C)C)ccc1CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000817894843 627954478 /nfs/dbraw/zinc/95/44/78/627954478.db2.gz QRVZSFSHBSGROH-UZLBHIALSA-N 1 1 311.473 3.109 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc(F)cc(F)c1 ZINC000817938564 627966308 /nfs/dbraw/zinc/96/63/08/627966308.db2.gz NGKWQHKPIXQQLN-KPZWWZAWSA-N 1 1 319.399 3.381 20 10 DGCDMO COc1ccccc1[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817937986 627966572 /nfs/dbraw/zinc/96/65/72/627966572.db2.gz AWYGRBUSDANTDC-RDTXWAMCSA-N 1 1 313.445 3.112 20 10 DGCDMO Cc1nc(C)c([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817938658 627968008 /nfs/dbraw/zinc/96/80/08/627968008.db2.gz OYUOHGYPLIACFH-ZBEGNZNMSA-N 1 1 318.490 3.177 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817940847 627968404 /nfs/dbraw/zinc/96/84/04/627968404.db2.gz LGBILDZLUCIXJL-SKDRFNHKSA-N 1 1 303.233 3.492 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCCNc3ccccc32)cc1 ZINC000817944335 627969530 /nfs/dbraw/zinc/96/95/30/627969530.db2.gz ZIAJYPZQWCDBEU-AZUAARDMSA-N 1 1 324.472 3.289 20 10 DGCDMO COc1ccsc1[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817943865 627970048 /nfs/dbraw/zinc/97/00/48/627970048.db2.gz WEHKLBRCWVTNDS-SWLSCSKDSA-N 1 1 319.474 3.173 20 10 DGCDMO C[C@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000817957250 627974048 /nfs/dbraw/zinc/97/40/48/627974048.db2.gz KEGYKEIEVKDNGW-FXAWDEMLSA-N 1 1 323.484 3.312 20 10 DGCDMO C[C@@H]([NH2+][C@H](CN)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817960335 627975721 /nfs/dbraw/zinc/97/57/21/627975721.db2.gz MEDDDHKQAIFTFB-CXAGYDPISA-N 1 1 305.441 3.204 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000817970465 627978578 /nfs/dbraw/zinc/97/85/78/627978578.db2.gz WHNOJOHECDPVTQ-LEWSCRJBSA-N 1 1 316.367 3.450 20 10 DGCDMO C[C@H](NCC[C@H]1CCC[NH2+]1)c1ccc(N2CCCCC2)cc1 ZINC000817969090 627978602 /nfs/dbraw/zinc/97/86/02/627978602.db2.gz RJPHSDINXZIRCQ-FUHWJXTLSA-N 1 1 301.478 3.470 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1[O-] ZINC000817970430 627978994 /nfs/dbraw/zinc/97/89/94/627978994.db2.gz VDZGTFXEUCMYKY-ZMLRMANQSA-N 1 1 313.239 3.075 20 10 DGCDMO C[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000817971197 627979888 /nfs/dbraw/zinc/97/98/88/627979888.db2.gz KKEHYUWFIWEFMY-TXPKVOOTSA-N 1 1 301.478 3.326 20 10 DGCDMO CC[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1O ZINC000817979776 627981978 /nfs/dbraw/zinc/98/19/78/627981978.db2.gz FDNSNBMUPKRNKY-NWDGAFQWSA-N 1 1 304.768 3.084 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)ccc1[O-] ZINC000817985294 627983411 /nfs/dbraw/zinc/98/34/11/627983411.db2.gz BYIGQUJTXMWZDJ-DMEJVMROSA-N 1 1 308.853 3.474 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCS[C@H](C)C2)c1 ZINC000927032413 628000479 /nfs/dbraw/zinc/00/04/79/628000479.db2.gz MZKIGKDHMQUKIG-NTZNESFSSA-N 1 1 309.431 3.114 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](n3ccnn3)C2)cc1C(C)C ZINC000819894733 628196668 /nfs/dbraw/zinc/19/66/68/628196668.db2.gz AKKAYMJYMDASHY-MRXNPFEDSA-N 1 1 314.433 3.253 20 10 DGCDMO C[N@@H+](Cc1ccc(Br)cc1O)[C@H]1CCSC1 ZINC000824555217 628670642 /nfs/dbraw/zinc/67/06/42/628670642.db2.gz CPFAIHBFECAOBN-NSHDSACASA-N 1 1 302.237 3.092 20 10 DGCDMO CC(C)[N@@H+](Cc1cnn2c1CCC2)Cc1ccc(N(C)C)cc1 ZINC000824565977 628671986 /nfs/dbraw/zinc/67/19/86/628671986.db2.gz ADUQVWGFEIOEDN-UHFFFAOYSA-N 1 1 312.461 3.306 20 10 DGCDMO Cc1c(Br)cncc1C[N@@H+](C)Cc1ccccc1O ZINC000824596207 628674918 /nfs/dbraw/zinc/67/49/18/628674918.db2.gz CPMCAIDZUCPMSE-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(N)=O ZINC000824608593 628676254 /nfs/dbraw/zinc/67/62/54/628676254.db2.gz JZBCOCXHSREGGW-LBPRGKRZSA-N 1 1 324.852 3.159 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000824625215 628678285 /nfs/dbraw/zinc/67/82/85/628678285.db2.gz GYJVDMFPPUVCHI-LBPRGKRZSA-N 1 1 314.223 3.120 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)CC(C)(C)CO)c(C(F)(F)F)c1 ZINC000824635647 628679103 /nfs/dbraw/zinc/67/91/03/628679103.db2.gz IYDVQPVYZZCQJO-UHFFFAOYSA-N 1 1 318.383 3.222 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)CCCCO)c1 ZINC000824653841 628680489 /nfs/dbraw/zinc/68/04/89/628680489.db2.gz INFBNRJMUMAZKY-LLVKDONJSA-N 1 1 316.239 3.104 20 10 DGCDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)o1 ZINC000824663096 628681841 /nfs/dbraw/zinc/68/18/41/628681841.db2.gz GAXORNGHXGPTTR-GFCCVEGCSA-N 1 1 321.808 3.425 20 10 DGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726259 628687663 /nfs/dbraw/zinc/68/76/63/628687663.db2.gz JXXGFIBMBVZTLD-SFHVURJKSA-N 1 1 319.351 3.261 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824723077 628687735 /nfs/dbraw/zinc/68/77/35/628687735.db2.gz ZYGCZFHAPFBVLG-KCPJHIHWSA-N 1 1 313.800 3.310 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824723077 628687736 /nfs/dbraw/zinc/68/77/36/628687736.db2.gz ZYGCZFHAPFBVLG-KCPJHIHWSA-N 1 1 313.800 3.310 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000824733047 628688123 /nfs/dbraw/zinc/68/81/23/628688123.db2.gz GUOQSRIURTXYOV-UHFFFAOYSA-N 1 1 320.433 3.188 20 10 DGCDMO C[C@H]1CSCC[N@H+]1Cc1ccc(Br)cc1O ZINC000824808967 628696107 /nfs/dbraw/zinc/69/61/07/628696107.db2.gz OKUHHBUBBARWOG-VIFPVBQESA-N 1 1 302.237 3.092 20 10 DGCDMO C[C@H]1CSCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824808967 628696105 /nfs/dbraw/zinc/69/61/05/628696105.db2.gz OKUHHBUBBARWOG-VIFPVBQESA-N 1 1 302.237 3.092 20 10 DGCDMO COc1cc(C[N@H+]2CCOC[C@H]2C2CC2)c(O)c(C(C)(C)C)c1 ZINC000824861956 628701262 /nfs/dbraw/zinc/70/12/62/628701262.db2.gz FBLXLTIQDJVBBM-KRWDZBQOSA-N 1 1 319.445 3.309 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCSC[C@@H]2C2CC2)c1O ZINC000824913763 628705590 /nfs/dbraw/zinc/70/55/90/628705590.db2.gz FCNKRDOBNNGEDU-CYBMUJFWSA-N 1 1 313.850 3.382 20 10 DGCDMO CCOCc1cc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)ccc1OC ZINC000825016716 628716349 /nfs/dbraw/zinc/71/63/49/628716349.db2.gz GOADLZWJXKLTIU-XJKSGUPXSA-N 1 1 315.417 3.224 20 10 DGCDMO CCOCc1cc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)ccc1OC ZINC000825016713 628716784 /nfs/dbraw/zinc/71/67/84/628716784.db2.gz GOADLZWJXKLTIU-BBRMVZONSA-N 1 1 315.417 3.224 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CCCC1 ZINC000825182798 628735399 /nfs/dbraw/zinc/73/53/99/628735399.db2.gz AGHUKHHGUDUEJV-MRXNPFEDSA-N 1 1 301.478 3.107 20 10 DGCDMO COC[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000825321684 628749308 /nfs/dbraw/zinc/74/93/08/628749308.db2.gz LBSLLDRNUZIRMO-LLVKDONJSA-N 1 1 301.789 3.433 20 10 DGCDMO COC[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000825321684 628749311 /nfs/dbraw/zinc/74/93/11/628749311.db2.gz LBSLLDRNUZIRMO-LLVKDONJSA-N 1 1 301.789 3.433 20 10 DGCDMO CC[N@H+](Cc1cc(Cl)c(C)cc1O)C[C@H](O)C(F)(F)F ZINC000825561709 628773656 /nfs/dbraw/zinc/77/36/56/628773656.db2.gz GIKYTVNMMLTFJA-LBPRGKRZSA-N 1 1 311.731 3.099 20 10 DGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(Br)cc2O)nc1 ZINC000825671774 628784410 /nfs/dbraw/zinc/78/44/10/628784410.db2.gz OZTFYGKWWJQDEJ-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1Cl ZINC000826048660 628823096 /nfs/dbraw/zinc/82/30/96/628823096.db2.gz JSPBXGZXTCHCEB-FVQBIDKESA-N 1 1 309.837 3.479 20 10 DGCDMO CC(C)[C@H](O)[C@@H]([NH2+]Cc1cccc(F)c1O)c1ccccc1 ZINC000827526505 628968150 /nfs/dbraw/zinc/96/81/50/628968150.db2.gz MKTDYLXUPWSHIM-IRXDYDNUSA-N 1 1 303.377 3.379 20 10 DGCDMO COc1cc(O)c(C[NH2+]CC(F)(F)C(C)(C)C)cc1OC ZINC000827722531 628985577 /nfs/dbraw/zinc/98/55/77/628985577.db2.gz LWEHUZAZYUTJIF-UHFFFAOYSA-N 1 1 303.349 3.180 20 10 DGCDMO CCc1cccc(C[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)c1O ZINC000827786052 628990957 /nfs/dbraw/zinc/99/09/57/628990957.db2.gz HAZSZINEFGGUJB-ZDUSSCGKSA-N 1 1 303.324 3.108 20 10 DGCDMO CCc1cccc(C[N@H+]2CCO[C@@H](CC(F)(F)F)C2)c1O ZINC000827786052 628990961 /nfs/dbraw/zinc/99/09/61/628990961.db2.gz HAZSZINEFGGUJB-ZDUSSCGKSA-N 1 1 303.324 3.108 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1F ZINC000827850328 628997127 /nfs/dbraw/zinc/99/71/27/628997127.db2.gz NPWLOBYFXGAHCI-KDURUIRLSA-N 1 1 318.436 3.284 20 10 DGCDMO C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000827855457 628997685 /nfs/dbraw/zinc/99/76/85/628997685.db2.gz DIMBBWYAQSXKTH-HWPZZCPQSA-N 1 1 309.768 3.396 20 10 DGCDMO CC[N@@H+](C)[C@H](C(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000827931140 629004756 /nfs/dbraw/zinc/00/47/56/629004756.db2.gz ZUJHDTIMXDPTEE-KDOFPFPSSA-N 1 1 312.413 3.262 20 10 DGCDMO C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)c1ccccc1O ZINC000827969522 629009341 /nfs/dbraw/zinc/00/93/41/629009341.db2.gz OHSGJPOHDMEEOK-AWEZNQCLSA-N 1 1 304.434 3.224 20 10 DGCDMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000827978374 629010300 /nfs/dbraw/zinc/01/03/00/629010300.db2.gz RBSNOXPBGJAAMH-GJZGRUSLSA-N 1 1 324.424 3.016 20 10 DGCDMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000827978374 629010303 /nfs/dbraw/zinc/01/03/03/629010303.db2.gz RBSNOXPBGJAAMH-GJZGRUSLSA-N 1 1 324.424 3.016 20 10 DGCDMO CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000827978665 629010746 /nfs/dbraw/zinc/01/07/46/629010746.db2.gz ZUJHDTIMXDPTEE-KBXCAEBGSA-N 1 1 312.413 3.262 20 10 DGCDMO Cc1cc(C[N@@H+](C)C[C@H]2CCOC2)ccc1N1CCCCC1 ZINC000827990043 629011858 /nfs/dbraw/zinc/01/18/58/629011858.db2.gz AXLGBYFMQMKGJI-GOSISDBHSA-N 1 1 302.462 3.454 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000828014016 629014612 /nfs/dbraw/zinc/01/46/12/629014612.db2.gz QWVKTIILJZBHAL-UHFFFAOYSA-N 1 1 312.461 3.369 20 10 DGCDMO Cc1cc(C[N@@H+]2CCOC[C@H](C)C2)ccc1N1CCCCC1 ZINC000828487535 629058981 /nfs/dbraw/zinc/05/89/81/629058981.db2.gz IVFHNGZDGHQRRO-MRXNPFEDSA-N 1 1 302.462 3.454 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@@](C)(O)C2)ccc1N1CCCCC1 ZINC000828582828 629070699 /nfs/dbraw/zinc/07/06/99/629070699.db2.gz 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Oc1c(F)cc(F)cc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC001662539953 1196728891 /nfs/dbraw/zinc/72/88/91/1196728891.db2.gz GIWMUCGBYMFWSS-AWEZNQCLSA-N 1 1 313.731 3.147 20 10 DGCDMO CN(C)CC1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCCC1 ZINC001620895926 1192560824 /nfs/dbraw/zinc/56/08/24/1192560824.db2.gz TWVALDXCVPFSCJ-UHFFFAOYSA-N 1 1 315.505 3.498 20 10 DGCDMO C[NH+](C)CC1(CNCc2ccc(N3CCCC3)cc2)CCCC1 ZINC001620895926 1192560828 /nfs/dbraw/zinc/56/08/28/1192560828.db2.gz TWVALDXCVPFSCJ-UHFFFAOYSA-N 1 1 315.505 3.498 20 10 DGCDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC001621287871 1192676354 /nfs/dbraw/zinc/67/63/54/1192676354.db2.gz OQBHWWYGRRNTTN-SFHVURJKSA-N 1 1 307.434 3.490 20 10 DGCDMO OCC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001331538997 1178240011 /nfs/dbraw/zinc/24/00/11/1178240011.db2.gz JBJVGCSTBVQUOU-QGZVFWFLSA-N 1 1 302.462 3.271 20 10 DGCDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(N)cc1 ZINC001345160048 1179535977 /nfs/dbraw/zinc/53/59/77/1179535977.db2.gz QDXQRFYGEOXFST-OAHLLOKOSA-N 1 1 312.413 3.080 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCSC[C@@H]2C2CCC2)c1O ZINC001652696444 1195637553 /nfs/dbraw/zinc/63/75/53/1195637553.db2.gz WLFKXKHWRYWWDR-OAHLLOKOSA-N 1 1 307.459 3.427 20 10 DGCDMO COc1cc(C)c(CN2CCC[C@H]([NH+]3CCCC3)CC2)c(O)c1 ZINC001461935528 1182881940 /nfs/dbraw/zinc/88/19/40/1182881940.db2.gz OBDSJRSXAVZZQW-INIZCTEOSA-N 1 1 318.461 3.160 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+](Cc1ccccc1)C[C@H](C)O ZINC001461971998 1182887899 /nfs/dbraw/zinc/88/78/99/1182887899.db2.gz TZXDQTRVTANMNW-KRWDZBQOSA-N 1 1 312.457 3.444 20 10 DGCDMO CCC(C)(C)[NH+]1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC001462387459 1182945307 /nfs/dbraw/zinc/94/53/07/1182945307.db2.gz PRKYNZVOWBKFNV-UHFFFAOYSA-N 1 1 314.832 3.491 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC001462434065 1182952331 /nfs/dbraw/zinc/95/23/31/1182952331.db2.gz BFHQRIBBTGWEOL-AWEZNQCLSA-N 1 1 310.388 3.167 20 10 DGCDMO CCc1cccc(C[N@@H+]2Cc3ccccc3NC(=O)[C@H]2C)c1O ZINC001462520417 1182963558 /nfs/dbraw/zinc/96/35/58/1182963558.db2.gz ZMDACYIQWNBXPU-CYBMUJFWSA-N 1 1 310.397 3.297 20 10 DGCDMO CCc1cccc(C[N@H+]2Cc3ccccc3NC(=O)[C@H]2C)c1O ZINC001462520417 1182963561 /nfs/dbraw/zinc/96/35/61/1182963561.db2.gz ZMDACYIQWNBXPU-CYBMUJFWSA-N 1 1 310.397 3.297 20 10 DGCDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(O)cccc2F)cc1Cl ZINC001462594307 1182973408 /nfs/dbraw/zinc/97/34/08/1182973408.db2.gz UGCNDTCDNOHSAA-UHFFFAOYSA-N 1 1 310.712 3.383 20 10 DGCDMO CCOC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C ZINC001653554306 1195733516 /nfs/dbraw/zinc/73/35/16/1195733516.db2.gz CVJAORINKDPHQF-OAHLLOKOSA-N 1 1 313.825 3.399 20 10 DGCDMO CC(C)(CNCc1ccc2c(c1)CCCO2)[NH+]1CCCCC1 ZINC001473912577 1183825848 /nfs/dbraw/zinc/82/58/48/1183825848.db2.gz QAAOPHZNSWGSRP-UHFFFAOYSA-N 1 1 302.462 3.366 20 10 DGCDMO CC[N@@H+]1CCC[C@@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC001473965238 1183840333 /nfs/dbraw/zinc/84/03/33/1183840333.db2.gz XRNIPOMWRLMOPT-SFHVURJKSA-N 1 1 301.478 3.108 20 10 DGCDMO CC[N@H+]1CCC[C@@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC001473965238 1183840337 /nfs/dbraw/zinc/84/03/37/1183840337.db2.gz XRNIPOMWRLMOPT-SFHVURJKSA-N 1 1 301.478 3.108 20 10 DGCDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001474331043 1183904986 /nfs/dbraw/zinc/90/49/86/1183904986.db2.gz NOBHZDLSCLCYSF-HNNXBMFYSA-N 1 1 305.809 3.425 20 10 DGCDMO C[N@@H+](Cc1cccnc1)Cc1ccc(Br)cc1O ZINC001474430132 1183920790 /nfs/dbraw/zinc/92/07/90/1183920790.db2.gz YCRIDOIJIWYKDL-UHFFFAOYSA-N 1 1 307.191 3.182 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)[C@H](CO)CC(C)(C)C)cc1 ZINC001474527275 1183936066 /nfs/dbraw/zinc/93/60/66/1183936066.db2.gz WMBJHXLCNHHNJN-ZEVQVBBLSA-N 1 1 304.478 3.495 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1O ZINC001474646706 1183954905 /nfs/dbraw/zinc/95/49/05/1183954905.db2.gz GXJRFZXUFBHQEA-RDJZCZTQSA-N 1 1 320.477 3.261 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)CN(C)C)c1O ZINC001474646706 1183954910 /nfs/dbraw/zinc/95/49/10/1183954910.db2.gz GXJRFZXUFBHQEA-RDJZCZTQSA-N 1 1 320.477 3.261 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@H]2[C@@H](C)CN(C)C)c1O ZINC001474646706 1183954913 /nfs/dbraw/zinc/95/49/13/1183954913.db2.gz GXJRFZXUFBHQEA-RDJZCZTQSA-N 1 1 320.477 3.261 20 10 DGCDMO COC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474691834 1183963430 /nfs/dbraw/zinc/96/34/30/1183963430.db2.gz STIQPLFKHFOWTG-LBPRGKRZSA-N 1 1 311.809 3.211 20 10 DGCDMO COc1ccc(C[N@H+]2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)c(O)c1OC ZINC001474730050 1183968892 /nfs/dbraw/zinc/96/88/92/1183968892.db2.gz OXFQHXKKGHFCEB-OUFKLWKOSA-N 1 1 317.429 3.277 20 10 DGCDMO CCC[C@@H](C[N@H+]1CCCN(c2ccc(OC)cc2)CC1)OC ZINC001621134628 1193441998 /nfs/dbraw/zinc/44/19/98/1193441998.db2.gz OEVSISAWPVKKHY-SFHVURJKSA-N 1 1 306.450 3.022 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H]1C[C@H]1C(=O)OCC ZINC001559790435 1189243310 /nfs/dbraw/zinc/24/33/10/1189243310.db2.gz SPMFWWWFKQZWCP-JKSUJKDBSA-N 1 1 305.418 3.194 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1 ZINC001560014160 1189268739 /nfs/dbraw/zinc/26/87/39/1189268739.db2.gz LWDUNWXOOGIJSN-CXAGYDPISA-N 1 1 312.404 3.387 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1 ZINC001560014160 1189268742 /nfs/dbraw/zinc/26/87/42/1189268742.db2.gz LWDUNWXOOGIJSN-CXAGYDPISA-N 1 1 312.404 3.387 20 10 DGCDMO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001560397679 1189322710 /nfs/dbraw/zinc/32/27/10/1189322710.db2.gz IJVJEWQHXLGIMX-MJGOQNOKSA-N 1 1 301.478 3.107 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]CC[C@H]3CC=CCC3)cc2)CC1 ZINC001560559491 1189341793 /nfs/dbraw/zinc/34/17/93/1189341793.db2.gz ZEWNCMGJMQUIRP-SFHVURJKSA-N 1 1 313.489 3.274 20 10 DGCDMO CC[C@@H](C)[NH+]1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC001560834138 1189389892 /nfs/dbraw/zinc/38/98/92/1189389892.db2.gz FNPFFRDKRLOFOD-LLVKDONJSA-N 1 1 300.805 3.101 20 10 DGCDMO CC[C@H](CNCc1ccc(N2CCCC2)cc1)[NH+]1CCCC1 ZINC001620714983 1193794423 /nfs/dbraw/zinc/79/44/23/1193794423.db2.gz CPZQTZAQUSUCCC-GOSISDBHSA-N 1 1 301.478 3.251 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCc3c(cccc3C(N)=O)C2)c1 ZINC001621457866 1193845179 /nfs/dbraw/zinc/84/51/79/1193845179.db2.gz PXNZJFKNJLGQCU-UHFFFAOYSA-N 1 1 324.424 3.173 20 10 DGCDMO CC1(C)CCC[C@](O)(C[NH2+]Cc2cc(F)c(F)cc2O)CC1 ZINC001621477274 1193848167 /nfs/dbraw/zinc/84/81/67/1193848167.db2.gz KKYFBEZQYORZHJ-QGZVFWFLSA-N 1 1 313.388 3.481 20 10 DGCDMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC001633315055 1194431348 /nfs/dbraw/zinc/43/13/48/1194431348.db2.gz CXUDOHRQHCJUML-NVXWUHKLSA-N 1 1 317.477 3.052 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001641902227 1194878053 /nfs/dbraw/zinc/87/80/53/1194878053.db2.gz KJIDDQHRPPSZIJ-IEBWSBKVSA-N 1 1 319.445 3.332 20 10 DGCDMO CC(C)[N@H+]1CCCC[C@@H]1CN1CCOc2cc(N(C)C)ccc21 ZINC001645147949 1195161775 /nfs/dbraw/zinc/16/17/75/1195161775.db2.gz NWRFRBGBSXOIGY-QGZVFWFLSA-N 1 1 317.477 3.214 20 10 DGCDMO COc1ccc(O[C@H](C)C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC001647036000 1195242978 /nfs/dbraw/zinc/24/29/78/1195242978.db2.gz OBFSHMJEKVEOFT-LLVKDONJSA-N 1 1 323.339 3.236 20 10 DGCDMO CN(C)CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(C)(C)C ZINC001649412073 1195334941 /nfs/dbraw/zinc/33/49/41/1195334941.db2.gz FAKUKDCAQOIBOC-GOSISDBHSA-N 1 1 304.478 3.468 20 10 DGCDMO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)Oc1cccc(F)c1 ZINC001650621513 1195365490 /nfs/dbraw/zinc/36/54/90/1195365490.db2.gz OBWNXDAECZZASD-JTQLQIEISA-N 1 1 311.303 3.367 20 10 DGCDMO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001652226474 1195565268 /nfs/dbraw/zinc/56/52/68/1195565268.db2.gz ATFNZCPVVMEYRO-GOSISDBHSA-N 1 1 304.434 3.006 20 10 DGCDMO COc1cc(C[N@H+](C)CCN2CCCC2)c(O)c(C(C)(C)C)c1 ZINC001652385543 1195590636 /nfs/dbraw/zinc/59/06/36/1195590636.db2.gz PSLHNAHIILOINX-UHFFFAOYSA-N 1 1 320.477 3.226 20 10 DGCDMO COc1cc(C[N@@H+](C)CCN2CCCC2)c(O)c(C(C)(C)C)c1 ZINC001652385543 1195590639 /nfs/dbraw/zinc/59/06/39/1195590639.db2.gz PSLHNAHIILOINX-UHFFFAOYSA-N 1 1 320.477 3.226 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)cc1F ZINC001652474876 1195603407 /nfs/dbraw/zinc/60/34/07/1195603407.db2.gz PSUIIZROBCXTTF-CYBMUJFWSA-N 1 1 314.420 3.260 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](C(C)(C)O)C2)cc1 ZINC001653072472 1195685697 /nfs/dbraw/zinc/68/56/97/1195685697.db2.gz HNXMXRAMCHKOFG-WVRJYTFGSA-N 1 1 302.462 3.249 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+](C)C[C@]23CCC[C@H]2OCC3)cc1F ZINC001653266316 1195704864 /nfs/dbraw/zinc/70/48/64/1195704864.db2.gz ORGMDWKBXQRXEF-QZTJIDSGSA-N 1 1 324.415 3.422 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCSC[C@H]2C2CCC2)c1O ZINC001653952731 1195762640 /nfs/dbraw/zinc/76/26/40/1195762640.db2.gz GHRSRFLJSWFLRA-INIZCTEOSA-N 1 1 323.433 3.451 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CCCC(C)(C)O2)cc1 ZINC001654114820 1195776255 /nfs/dbraw/zinc/77/62/55/1195776255.db2.gz RLJDCDHOLDPGBB-GOSISDBHSA-N 1 1 320.477 3.411 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001655401477 1195912700 /nfs/dbraw/zinc/91/27/00/1195912700.db2.gz ZQHFDCXONAMVLD-QYZOEREBSA-N 1 1 302.462 3.268 20 10 DGCDMO CCOc1cccc(CC[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC001655947651 1195981150 /nfs/dbraw/zinc/98/11/50/1195981150.db2.gz KNJVORCWCIMHAZ-UHFFFAOYSA-N 1 1 307.340 3.401 20 10 DGCDMO CN(C)c1ccc(CNCC2([NH+](C)C)CCCCC2)cc1F ZINC001655951754 1195981658 /nfs/dbraw/zinc/98/16/58/1195981658.db2.gz COVADWDADDRAHN-UHFFFAOYSA-N 1 1 307.457 3.246 20 10 DGCDMO CC1CC[NH+](CCNC/C=C/c2ccc(N(C)C)cc2)CC1 ZINC001656044821 1195991336 /nfs/dbraw/zinc/99/13/36/1195991336.db2.gz NLKBFXHLIRCLPE-SNAWJCMRSA-N 1 1 301.478 3.087 20 10 DGCDMO C[C@H](CNC/C=C\c1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC001656155876 1196011630 /nfs/dbraw/zinc/01/16/30/1196011630.db2.gz ZNOGZEOHGORRIZ-ZPUOCTKUSA-N 1 1 301.478 3.230 20 10 DGCDMO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001656636289 1196056393 /nfs/dbraw/zinc/05/63/93/1196056393.db2.gz QVFXCOZYLSTFOO-QFBILLFUSA-N 1 1 301.478 3.107 20 10 DGCDMO C[C@@H](CNC/C=C/c1ccc(N(C)C)cc1)C[NH+]1CCCCC1 ZINC001656896035 1196081109 /nfs/dbraw/zinc/08/11/09/1196081109.db2.gz BLRWEPKXXYPJSM-DVBCCOPCSA-N 1 1 315.505 3.477 20 10 DGCDMO CCCC[N@@H+](CCO)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001657600570 1196158213 /nfs/dbraw/zinc/15/82/13/1196158213.db2.gz FWXMLZKDDIIVHG-UHFFFAOYSA-N 1 1 309.450 3.293 20 10 DGCDMO Cc1ccc(C[N@H+](CCc2ccccc2)CCN(C)C)c(O)c1 ZINC001658035422 1196205560 /nfs/dbraw/zinc/20/55/60/1196205560.db2.gz BKIAVROUJFAILR-UHFFFAOYSA-N 1 1 312.457 3.307 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCCCC[C@@H]2CCO)cc1 ZINC001658092355 1196211023 /nfs/dbraw/zinc/21/10/23/1196211023.db2.gz CSQLEXMCDMYHGX-OVKVCFKUSA-N 1 1 302.462 3.393 20 10 DGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H](CO)CC(C)(C)C ZINC001658117495 1196213562 /nfs/dbraw/zinc/21/35/62/1196213562.db2.gz XNVALYHJPLZKRN-LLVKDONJSA-N 1 1 303.805 3.414 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H](CO)CC(C)(C)C ZINC001658117495 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CCCC1CC[NH+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001139409991 1091551660 /nfs/dbraw/zinc/55/16/60/1091551660.db2.gz ZLDJOUDLFUPIAQ-UHFFFAOYSA-N 1 1 315.505 3.451 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@](F)(CN)C2)cc1 ZINC001206342707 1091585334 /nfs/dbraw/zinc/58/53/34/1091585334.db2.gz ADKFZQWJLYFIEU-GOSISDBHSA-N 1 1 307.457 3.186 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@@](F)(CN)C2)cc1 ZINC001206342707 1091585338 /nfs/dbraw/zinc/58/53/38/1091585338.db2.gz ADKFZQWJLYFIEU-GOSISDBHSA-N 1 1 307.457 3.186 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnc3cccnc3c2)cc1 ZINC001139743168 1091661086 /nfs/dbraw/zinc/66/10/86/1091661086.db2.gz AZJWHFDFBXNWIY-UHFFFAOYSA-N 1 1 306.413 3.328 20 10 DGCDMO CC(C)(C)OC(=O)O[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140055905 1091750970 /nfs/dbraw/zinc/75/09/70/1091750970.db2.gz ANMLGCYHQVDVJY-CYBMUJFWSA-N 1 1 311.353 3.057 20 10 DGCDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(F)ccc1O ZINC001140056388 1091752050 /nfs/dbraw/zinc/75/20/50/1091752050.db2.gz USWVKPLSTCLOEF-RISCZKNCSA-N 1 1 324.396 3.019 20 10 DGCDMO C[C@H]1CN(Cc2cc(F)ccc2O)CC[N@H+]1C1CCCCC1 ZINC001140055975 1091752252 /nfs/dbraw/zinc/75/22/52/1091752252.db2.gz CACHHIBYFZSHMZ-AWEZNQCLSA-N 1 1 306.425 3.370 20 10 DGCDMO Oc1ccc(F)cc1C[N@@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001140058525 1091752716 /nfs/dbraw/zinc/75/27/16/1091752716.db2.gz FLFULFFWMOYELF-UHFFFAOYSA-N 1 1 323.371 3.275 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001140058525 1091752722 /nfs/dbraw/zinc/75/27/22/1091752722.db2.gz FLFULFFWMOYELF-UHFFFAOYSA-N 1 1 323.371 3.275 20 10 DGCDMO Cc1ccc(C)c(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1O ZINC001140178689 1091792500 /nfs/dbraw/zinc/79/25/00/1091792500.db2.gz UWNNGMCIOTZCPR-UHFFFAOYSA-N 1 1 313.397 3.412 20 10 DGCDMO CCc1noc([C@H]2CCC[N@@H+](Cc3c(C)ccc(C)c3O)C2)n1 ZINC001140183316 1091793918 /nfs/dbraw/zinc/79/39/18/1091793918.db2.gz BORZVNXGSHYLFC-AWEZNQCLSA-N 1 1 315.417 3.334 20 10 DGCDMO CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184257 1091795613 /nfs/dbraw/zinc/79/56/13/1091795613.db2.gz PDDSVSOUPJOGJK-SFHVURJKSA-N 1 1 305.418 3.174 20 10 DGCDMO CC[NH+]1CCN(c2ccc(C[N@@H+](C)CCC3CC3)cc2)CC1 ZINC001140306566 1091820549 /nfs/dbraw/zinc/82/05/49/1091820549.db2.gz TXUDAIROSDIKFL-UHFFFAOYSA-N 1 1 301.478 3.060 20 10 DGCDMO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001140340432 1091835025 /nfs/dbraw/zinc/83/50/25/1091835025.db2.gz XAHGGKKGRPPUCX-FUHWJXTLSA-N 1 1 317.816 3.224 20 10 DGCDMO C[N@H+](Cc1cccc2c1OCO2)Cc1c(O)cccc1Cl ZINC001140342714 1091836057 /nfs/dbraw/zinc/83/60/57/1091836057.db2.gz VNPPBSIVAAQBFJ-UHFFFAOYSA-N 1 1 305.761 3.406 20 10 DGCDMO C[N@@H+](Cc1cccc2c1OCO2)Cc1c(O)cccc1Cl ZINC001140342714 1091836061 /nfs/dbraw/zinc/83/60/61/1091836061.db2.gz VNPPBSIVAAQBFJ-UHFFFAOYSA-N 1 1 305.761 3.406 20 10 DGCDMO CCOc1ccc(N2CC[NH+](Cc3cncc(C)c3)CC2)cc1 ZINC001207160803 1091870254 /nfs/dbraw/zinc/87/02/54/1091870254.db2.gz DRMQRAKPHXAVSO-UHFFFAOYSA-N 1 1 311.429 3.111 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001140465413 1091877119 /nfs/dbraw/zinc/87/71/19/1091877119.db2.gz MLCFUNDMQYVYTI-KRWDZBQOSA-N 1 1 317.816 3.489 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001140465413 1091877127 /nfs/dbraw/zinc/87/71/27/1091877127.db2.gz MLCFUNDMQYVYTI-KRWDZBQOSA-N 1 1 317.816 3.489 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001140463005 1091877356 /nfs/dbraw/zinc/87/73/56/1091877356.db2.gz RREWXYJSZZFQAK-UHFFFAOYSA-N 1 1 317.772 3.333 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001140463005 1091877364 /nfs/dbraw/zinc/87/73/64/1091877364.db2.gz RREWXYJSZZFQAK-UHFFFAOYSA-N 1 1 317.772 3.333 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCN3CCc4ccccc4[C@@H]3C2)c1 ZINC001140623135 1091934533 /nfs/dbraw/zinc/93/45/33/1091934533.db2.gz GZKZCNYDVCVQMQ-IBGZPJMESA-N 1 1 308.425 3.116 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c1 ZINC001140623137 1091934985 /nfs/dbraw/zinc/93/49/85/1091934985.db2.gz GZRWELPEDJXEEV-HNNXBMFYSA-N 1 1 305.418 3.397 20 10 DGCDMO Cc1ccc(O)c(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)c1 ZINC001140622972 1091935493 /nfs/dbraw/zinc/93/54/93/1091935493.db2.gz JHPVFQQHTPJFPK-UHFFFAOYSA-N 1 1 308.425 3.018 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](Oc3ncccc3C)C2)c1 ZINC001140624121 1091936826 /nfs/dbraw/zinc/93/68/26/1091936826.db2.gz HGYVUERUKHXCBR-QGZVFWFLSA-N 1 1 312.413 3.447 20 10 DGCDMO CC1(C)C[C@H](C[N@H+]2CCCc3cc(O)c(O)cc3C2)CCO1 ZINC001207364126 1091938557 /nfs/dbraw/zinc/93/85/57/1091938557.db2.gz UAWCCRCAQCLGOL-CYBMUJFWSA-N 1 1 305.418 3.051 20 10 DGCDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140663759 1091949429 /nfs/dbraw/zinc/94/94/29/1091949429.db2.gz OOLAXJIWAOCIPF-INIZCTEOSA-N 1 1 306.425 3.427 20 10 DGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1O ZINC001140749996 1091985191 /nfs/dbraw/zinc/98/51/91/1091985191.db2.gz RSVVMZJIVKVIMU-INIZCTEOSA-N 1 1 317.360 3.199 20 10 DGCDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(O)c(C)c3O)C2)cc1 ZINC001140748020 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COC(=O)CC[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926015 1092064613 /nfs/dbraw/zinc/06/46/13/1092064613.db2.gz XMWSNINMBQOZME-CYBMUJFWSA-N 1 1 324.852 3.181 20 10 DGCDMO CN(C)c1ccc(CN2CC[N@H+]3CCCC[C@@H]3C2)c(Cl)c1 ZINC001140923453 1092064913 /nfs/dbraw/zinc/06/49/13/1092064913.db2.gz BAKOWRBAMVQNCF-MRXNPFEDSA-N 1 1 307.869 3.076 20 10 DGCDMO Cc1ccc(CN2CC[NH+](CCc3cccs3)CC2)c(O)c1 ZINC001140949788 1092074625 /nfs/dbraw/zinc/07/46/25/1092074625.db2.gz KYAWWKKFONBTRF-UHFFFAOYSA-N 1 1 316.470 3.122 20 10 DGCDMO CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(C)cc2O)C[C@@H]1C ZINC001140953869 1092079554 /nfs/dbraw/zinc/07/95/54/1092079554.db2.gz ICFYVMDOFGSPRP-LSDHHAIUSA-N 1 1 305.418 3.112 20 10 DGCDMO C[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)C[C@H]1CCCCO1 ZINC001141075855 1092130268 /nfs/dbraw/zinc/13/02/68/1092130268.db2.gz CVWYMZPAFMHXGO-LJQANCHMSA-N 1 1 314.473 3.386 20 10 DGCDMO F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078183 1092131646 /nfs/dbraw/zinc/13/16/46/1092131646.db2.gz NZTGTHNPXNKUJQ-BZSNNMDCSA-N 1 1 300.421 3.318 20 10 DGCDMO COc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141141156 1092148902 /nfs/dbraw/zinc/14/89/02/1092148902.db2.gz VAXVVUMKVSZQQL-UHFFFAOYSA-N 1 1 324.424 3.082 20 10 DGCDMO Cc1ccc2c(c1)CC[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141146170 1092150277 /nfs/dbraw/zinc/15/02/77/1092150277.db2.gz MSVRHVNGFNCYAL-UHFFFAOYSA-N 1 1 308.425 3.382 20 10 DGCDMO CN1CCOc2cc(C[N@H+]3CCC[C@@H]3Cc3ccccn3)ccc21 ZINC001141143706 1092150430 /nfs/dbraw/zinc/15/04/30/1092150430.db2.gz GOVOOYDDSCMQQK-GOSISDBHSA-N 1 1 323.440 3.117 20 10 DGCDMO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCCCC2)cc1 ZINC001276551454 1092159037 /nfs/dbraw/zinc/15/90/37/1092159037.db2.gz JHOYSNQEZGUYCX-CTXDPNEZSA-N 1 1 313.489 3.392 20 10 DGCDMO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+](C)Cc1ccc(N3CCCC3)cc1)C2 ZINC001169143171 1092559562 /nfs/dbraw/zinc/55/95/62/1092559562.db2.gz YSKDZHZCLOARRS-ACDBMABISA-N 1 1 313.489 3.344 20 10 DGCDMO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)Cc1ccc(N3CCCC3)cc1)C2 ZINC001169143171 1092559565 /nfs/dbraw/zinc/55/95/65/1092559565.db2.gz YSKDZHZCLOARRS-ACDBMABISA-N 1 1 313.489 3.344 20 10 DGCDMO CN(Cc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169143171 1092559574 /nfs/dbraw/zinc/55/95/74/1092559574.db2.gz YSKDZHZCLOARRS-ACDBMABISA-N 1 1 313.489 3.344 20 10 DGCDMO CN(Cc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143171 1092559584 /nfs/dbraw/zinc/55/95/84/1092559584.db2.gz YSKDZHZCLOARRS-ACDBMABISA-N 1 1 313.489 3.344 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccn2ccnc12 ZINC001142960449 1092593896 /nfs/dbraw/zinc/59/38/96/1092593896.db2.gz ONSOOBPANLPCPU-UHFFFAOYSA-N 1 1 308.429 3.422 20 10 DGCDMO CN1C[C@H]2[C@H](C1)CCC[N@H+]2Cc1cccc(C(C)(C)C)c1O ZINC001143110872 1092616183 /nfs/dbraw/zinc/61/61/83/1092616183.db2.gz RYUVHJGZUYAGAM-YOEHRIQHSA-N 1 1 302.462 3.216 20 10 DGCDMO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cccc(C(C)(C)C)c1O ZINC001143110872 1092616187 /nfs/dbraw/zinc/61/61/87/1092616187.db2.gz RYUVHJGZUYAGAM-YOEHRIQHSA-N 1 1 302.462 3.216 20 10 DGCDMO C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cccc(C(C)(C)C)c1O ZINC001143110872 1092616193 /nfs/dbraw/zinc/61/61/93/1092616193.db2.gz RYUVHJGZUYAGAM-YOEHRIQHSA-N 1 1 302.462 3.216 20 10 DGCDMO COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110774 1092616250 /nfs/dbraw/zinc/61/62/50/1092616250.db2.gz OOVSCBBMACACKO-DZGCQCFKSA-N 1 1 319.445 3.321 20 10 DGCDMO CC(C)(C)c1cccc(C[NH+]2CCC(N3CCC3)CC2)c1O ZINC001143116626 1092618776 /nfs/dbraw/zinc/61/87/76/1092618776.db2.gz GIEXSZGJGGERJE-UHFFFAOYSA-N 1 1 302.462 3.360 20 10 DGCDMO CC[N@H+](Cc1ccccc1O)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001208999786 1092620223 /nfs/dbraw/zinc/62/02/23/1092620223.db2.gz SIYFIMFCAUKUDL-HNNXBMFYSA-N 1 1 320.433 3.224 20 10 DGCDMO CC[C@@H](C[N@H+]1CCc2cccc(O)c2C1)NC(=O)OC(C)(C)C ZINC001209459886 1092783718 /nfs/dbraw/zinc/78/37/18/1092783718.db2.gz CNMPIWJYSIALMT-AWEZNQCLSA-N 1 1 320.433 3.054 20 10 DGCDMO 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ZINC000273482396 130126604 /nfs/dbraw/zinc/12/66/04/130126604.db2.gz MFKGBYUPMIJIIT-QEORTHHSSA-N 1 1 321.417 3.033 20 10 DGCDMO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)c1 ZINC000273526994 130132851 /nfs/dbraw/zinc/13/28/51/130132851.db2.gz VMCJIAPVSVZCJJ-XHDPSFHLSA-N 1 1 307.340 3.363 20 10 DGCDMO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)c(O)c1 ZINC000273537013 130133362 /nfs/dbraw/zinc/13/33/62/130133362.db2.gz XPYYPFUAFJEDBV-IAQYHMDHSA-N 1 1 307.340 3.363 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc(F)cc1O ZINC000284370280 131074898 /nfs/dbraw/zinc/07/48/98/131074898.db2.gz NQGGKQLIFDYTRM-SECBINFHSA-N 1 1 312.291 3.379 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1O ZINC000284927532 131123842 /nfs/dbraw/zinc/12/38/42/131123842.db2.gz GTQSVGNZBHWHMR-KBPBESRZSA-N 1 1 311.809 3.198 20 10 DGCDMO CCCOc1ccc(CNc2cc(CCOC)cc[nH+]2)c(O)c1 ZINC000285291828 131155366 /nfs/dbraw/zinc/15/53/66/131155366.db2.gz SZBNOSOEPBQGDF-UHFFFAOYSA-N 1 1 316.401 3.377 20 10 DGCDMO CC[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1O ZINC000286002652 131214948 /nfs/dbraw/zinc/21/49/48/131214948.db2.gz HPUCNSFUTCHBLS-WBVHZDCISA-N 1 1 321.367 3.315 20 10 DGCDMO COCC[N@@H+](Cc1cccnc1)Cc1cc(C)c(C)cc1O ZINC000289496730 131390682 /nfs/dbraw/zinc/39/06/82/131390682.db2.gz SHJHEJZIPAYUHC-UHFFFAOYSA-N 1 1 300.402 3.053 20 10 DGCDMO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc(F)cc1O ZINC000289673082 131406475 /nfs/dbraw/zinc/40/64/75/131406475.db2.gz HIHNDBQICZQGGE-SOVGHPHASA-N 1 1 315.388 3.348 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(O)c1 ZINC000092073229 400153905 /nfs/dbraw/zinc/15/39/05/400153905.db2.gz RTRUQOYYWKWMAO-OAHLLOKOSA-N 1 1 315.417 3.284 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3c(C)noc3C)CC2)cc1 ZINC000052466315 400733295 /nfs/dbraw/zinc/73/32/95/400733295.db2.gz ZAFFTSZBSXLMDH-UHFFFAOYSA-N 1 1 315.417 3.012 20 10 DGCDMO Cc1noc(CCC[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000269542647 432184411 /nfs/dbraw/zinc/18/44/11/432184411.db2.gz VPLDNTBBPMSVAB-UHFFFAOYSA-N 1 1 314.433 3.041 20 10 DGCDMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000182090181 228366670 /nfs/dbraw/zinc/36/66/70/228366670.db2.gz KRFNRGDKDVQHRG-CYBMUJFWSA-N 1 1 319.836 3.234 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1 ZINC000282677311 276341602 /nfs/dbraw/zinc/34/16/02/276341602.db2.gz NFSSCLSTCKECJQ-UHFFFAOYSA-N 1 1 315.465 3.169 20 10 DGCDMO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccccc2O)c(C)c1 ZINC000109771073 431177949 /nfs/dbraw/zinc/17/79/49/431177949.db2.gz KBXVFANAFAIWPC-UHFFFAOYSA-N 1 1 312.413 3.388 20 10 DGCDMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)c(C)c1 ZINC000109772977 431178281 /nfs/dbraw/zinc/17/82/81/431178281.db2.gz QABBIGRPQUTFIX-OAHLLOKOSA-N 1 1 312.413 3.468 20 10 DGCDMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000109769626 431180064 /nfs/dbraw/zinc/18/00/64/431180064.db2.gz ZOSYNQQDCSYJQQ-CYBMUJFWSA-N 1 1 316.376 3.299 20 10 DGCDMO CCC[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccccc1O ZINC000076074081 431524542 /nfs/dbraw/zinc/52/45/42/431524542.db2.gz PQMMGMVILKVAPT-UHFFFAOYSA-N 1 1 313.357 3.447 20 10 DGCDMO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649129 431849932 /nfs/dbraw/zinc/84/99/32/431849932.db2.gz CHCWYTLDXHTHGT-JTQLQIEISA-N 1 1 315.244 3.273 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3cccnc3C)CC2)cc1 ZINC000092380834 431909052 /nfs/dbraw/zinc/90/90/52/431909052.db2.gz OZFAXPNOTHPMKQ-UHFFFAOYSA-N 1 1 311.429 3.111 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](COCCOC)C2)cc1 ZINC000093755618 431916849 /nfs/dbraw/zinc/91/68/49/431916849.db2.gz NUJGZAXMRDVCRT-SFHVURJKSA-N 1 1 320.477 3.018 20 10 DGCDMO CCOc1cccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000093683568 431917467 /nfs/dbraw/zinc/91/74/67/431917467.db2.gz IQMUSDSWOFYZLF-INIZCTEOSA-N 1 1 318.461 3.099 20 10 DGCDMO CCN1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC000173362621 432274373 /nfs/dbraw/zinc/27/43/73/432274373.db2.gz WLFCGFDGJAFYMB-APWZRJJASA-N 1 1 301.478 3.107 20 10 DGCDMO CC(C)[N@@H+](Cc1ccc(CO)o1)Cc1ccc(N(C)C)cc1 ZINC000271094960 432328984 /nfs/dbraw/zinc/32/89/84/432328984.db2.gz YIGQKRXEGKRTOM-UHFFFAOYSA-N 1 1 302.418 3.249 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000271164526 432341694 /nfs/dbraw/zinc/34/16/94/432341694.db2.gz BUXKNNAMHSHYSG-UHFFFAOYSA-N 1 1 301.308 3.485 20 10 DGCDMO Cc1nc(CC[N@H+](C)Cc2ccc(N3CCCCC3)cc2)no1 ZINC000271173282 432343012 /nfs/dbraw/zinc/34/30/12/432343012.db2.gz MTMDPXRVZYNSMX-UHFFFAOYSA-N 1 1 314.433 3.043 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CCO)C(C)(C)C)c1O ZINC000183673081 432314655 /nfs/dbraw/zinc/31/46/55/432314655.db2.gz OYLHQPGYSAOJPX-AWEZNQCLSA-N 1 1 313.825 3.135 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000271233940 432360168 /nfs/dbraw/zinc/36/01/68/432360168.db2.gz CWHZSMZKBOQJGL-ZWKOTPCHSA-N 1 1 314.429 3.434 20 10 DGCDMO CNC(=O)CC[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000272093666 432444091 /nfs/dbraw/zinc/44/40/91/432444091.db2.gz YLUFUWXVFINDCW-OAHLLOKOSA-N 1 1 312.413 3.092 20 10 DGCDMO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000271586604 432420663 /nfs/dbraw/zinc/42/06/63/432420663.db2.gz XOUQQNOJPFVACF-CHWSQXEVSA-N 1 1 301.438 3.406 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](OCC(C)C)C2)c1O ZINC000184702860 432423669 /nfs/dbraw/zinc/42/36/69/432423669.db2.gz RGKADWCWVXHXCB-AWEZNQCLSA-N 1 1 313.825 3.301 20 10 DGCDMO CC(=O)c1cc(Cl)cc(CN2CCOC3(CCC3)C2)c1[O-] ZINC000154364745 432495244 /nfs/dbraw/zinc/49/52/44/432495244.db2.gz XBRAJYRPNDKULK-UHFFFAOYSA-N 1 1 309.793 3.003 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(F)cc1O ZINC000185525376 432508969 /nfs/dbraw/zinc/50/89/69/432508969.db2.gz ANUYZHYPJAYBSM-HIFRSBDPSA-N 1 1 303.377 3.348 20 10 DGCDMO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000186176849 432564467 /nfs/dbraw/zinc/56/44/67/432564467.db2.gz OXOOPFGQTXKHQG-NSHDSACASA-N 1 1 305.397 3.240 20 10 DGCDMO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000185825978 432536336 /nfs/dbraw/zinc/53/63/36/432536336.db2.gz UEUOLYVCIRWIAQ-YVEFUNNKSA-N 1 1 319.376 3.314 20 10 DGCDMO CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604902 432617882 /nfs/dbraw/zinc/61/78/82/432617882.db2.gz SZXDLRBZOVLKPJ-ZIAGYGMSSA-N 1 1 321.421 3.071 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186444362 432596166 /nfs/dbraw/zinc/59/61/66/432596166.db2.gz QLKHUOLCHHCVPA-FQEVSTJZSA-N 1 1 308.425 3.384 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC(C)(C)OC)c1 ZINC000273465326 432603027 /nfs/dbraw/zinc/60/30/27/432603027.db2.gz DQNJCAONSXECKN-NWDGAFQWSA-N 1 1 309.406 3.033 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000227689473 432713523 /nfs/dbraw/zinc/71/35/23/432713523.db2.gz OZIQXJSTGMAOHJ-WDEREUQCSA-N 1 1 312.385 3.095 20 10 DGCDMO COc1cc(Cl)cc(CNCC2([NH+](C)C)CCCC2)c1O ZINC000228669955 432718380 /nfs/dbraw/zinc/71/83/80/432718380.db2.gz JLWLDABFRNMCKQ-UHFFFAOYSA-N 1 1 312.841 3.018 20 10 DGCDMO Oc1ccccc1C[N@H+](Cc1ccc(F)cn1)C[C@@H]1CCCO1 ZINC000276198327 432782835 /nfs/dbraw/zinc/78/28/35/432782835.db2.gz JCVLUEPMWGHOLX-KRWDZBQOSA-N 1 1 316.376 3.108 20 10 DGCDMO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)[nH]1 ZINC000276761889 432824229 /nfs/dbraw/zinc/82/42/29/432824229.db2.gz AJBJELKEGXWRSW-CHWSQXEVSA-N 1 1 301.438 3.235 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000278240748 432889809 /nfs/dbraw/zinc/88/98/09/432889809.db2.gz NUADWDQMXDEXNV-YPMHNXCESA-N 1 1 306.362 3.074 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000278240748 432889811 /nfs/dbraw/zinc/88/98/11/432889811.db2.gz NUADWDQMXDEXNV-YPMHNXCESA-N 1 1 306.362 3.074 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1C ZINC000278308860 432890791 /nfs/dbraw/zinc/89/07/91/432890791.db2.gz DZCURHBOQYNGRC-WFASDCNBSA-N 1 1 317.351 3.144 20 10 DGCDMO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Cl)c(Cl)cc1O ZINC000278332577 432891541 /nfs/dbraw/zinc/89/15/41/432891541.db2.gz WNZYDVOJKAGDLS-RRAGMBSWSA-N 1 1 318.122 3.273 20 10 DGCDMO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)[nH]1 ZINC000277457102 432850964 /nfs/dbraw/zinc/85/09/64/432850964.db2.gz QBZNKBCFLKRHBP-NEPJUHHUSA-N 1 1 300.406 3.104 20 10 DGCDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)[nH]1 ZINC000277489537 432854561 /nfs/dbraw/zinc/85/45/61/432854561.db2.gz UCYXNTCDEPXISY-WCQYABFASA-N 1 1 302.422 3.486 20 10 DGCDMO CCn1nccc1C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000279169828 432942396 /nfs/dbraw/zinc/94/23/96/432942396.db2.gz BQAVYTSFNRTASM-UHFFFAOYSA-N 1 1 303.381 3.127 20 10 DGCDMO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(F)cc1O ZINC000289673068 432971032 /nfs/dbraw/zinc/97/10/32/432971032.db2.gz HIHNDBQICZQGGE-BOFPYLFWSA-N 1 1 315.388 3.348 20 10 DGCDMO CCOCc1cc(CNC[C@@H](C)[NH+](CC)CC)ccc1OC ZINC000279718465 432991397 /nfs/dbraw/zinc/99/13/97/432991397.db2.gz UHTNCABRGTXBNF-OAHLLOKOSA-N 1 1 308.466 3.052 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1ccc(F)cc1O ZINC000290243976 433019827 /nfs/dbraw/zinc/01/98/27/433019827.db2.gz JIZUDAIZFAKBNX-HDMKZQKVSA-N 1 1 317.360 3.067 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2ccc(O)cc2)c1O ZINC000290527178 433078522 /nfs/dbraw/zinc/07/85/22/433078522.db2.gz QJCIXNBCIJENFY-UHFFFAOYSA-N 1 1 307.777 3.392 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)CCCCCO)c(C(F)(F)F)c1 ZINC000280614671 433106066 /nfs/dbraw/zinc/10/60/66/433106066.db2.gz PAGITCBPAUFPOI-UHFFFAOYSA-N 1 1 318.383 3.366 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1C ZINC000290819800 433177117 /nfs/dbraw/zinc/17/71/17/433177117.db2.gz GSMXLCJCWCYURR-HNNXBMFYSA-N 1 1 305.809 3.306 20 10 DGCDMO [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291203731 433228447 /nfs/dbraw/zinc/22/84/47/433228447.db2.gz HVHIOEBIUVTPQX-GFCCVEGCSA-N 1 1 312.200 3.343 20 10 DGCDMO COc1cccc(C[N@@H+]2CCC(C)=C(Br)C2)c1O ZINC000281087661 433263056 /nfs/dbraw/zinc/26/30/56/433263056.db2.gz JVYBRDFFTRGJSA-UHFFFAOYSA-N 1 1 312.207 3.275 20 10 DGCDMO COc1cccc(C[N@H+]2CCC(C)=C(Br)C2)c1O ZINC000281087661 433263066 /nfs/dbraw/zinc/26/30/66/433263066.db2.gz JVYBRDFFTRGJSA-UHFFFAOYSA-N 1 1 312.207 3.275 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000291542619 433263312 /nfs/dbraw/zinc/26/33/12/433263312.db2.gz LKLVJNYKPSCJCE-IAGOWNOFSA-N 1 1 305.418 3.180 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000281139804 433265938 /nfs/dbraw/zinc/26/59/38/433265938.db2.gz OFIQQPTWKQKRQE-MRXNPFEDSA-N 1 1 324.424 3.186 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c1O ZINC000281253044 433274913 /nfs/dbraw/zinc/27/49/13/433274913.db2.gz MRBCGYNUEIKKFH-MRXNPFEDSA-N 1 1 315.417 3.252 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)[C@H](C)C1 ZINC000282371598 433585485 /nfs/dbraw/zinc/58/54/85/433585485.db2.gz QHTDCJBPYCYUML-ZWNOBZJWSA-N 1 1 314.223 3.154 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC3(CCC3)[C@@H]2C(C)C)cc1OC ZINC000292717196 433590787 /nfs/dbraw/zinc/59/07/87/433590787.db2.gz DUYCCGAQWKGFTB-KRWDZBQOSA-N 1 1 305.418 3.420 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCC1CCOCC1)C[C@H]1CCCO1 ZINC000292889873 433600985 /nfs/dbraw/zinc/60/09/85/433600985.db2.gz JCNCCUJFYGQMNE-GOSISDBHSA-N 1 1 319.445 3.190 20 10 DGCDMO CCCC[N@@H+](Cc1cnc(N(C)C)nc1)Cc1ccccc1O ZINC000283145550 433676405 /nfs/dbraw/zinc/67/64/05/433676405.db2.gz XDGRTFZYEJTKIY-UHFFFAOYSA-N 1 1 314.433 3.051 20 10 DGCDMO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293667223 433824348 /nfs/dbraw/zinc/82/43/48/433824348.db2.gz QBZIJEITDBRIDE-ABAIWWIYSA-N 1 1 301.789 3.478 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1C ZINC000293702113 433833684 /nfs/dbraw/zinc/83/36/84/433833684.db2.gz RQDGCCAYOUMPTM-SFHVURJKSA-N 1 1 301.430 3.400 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)cc1C ZINC000376938588 433839935 /nfs/dbraw/zinc/83/99/35/433839935.db2.gz ZVJWQRBKWFMJLV-FQEVSTJZSA-N 1 1 322.408 3.105 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H](O)c1ccccc1 ZINC000293966681 433943843 /nfs/dbraw/zinc/94/38/43/433943843.db2.gz QHRIYNIWLGROMM-QFYYESIMSA-N 1 1 309.768 3.396 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000378142739 434094094 /nfs/dbraw/zinc/09/40/94/434094094.db2.gz URIIXQFWHHFEEW-MRXNPFEDSA-N 1 1 318.373 3.074 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000378142739 434094098 /nfs/dbraw/zinc/09/40/98/434094098.db2.gz URIIXQFWHHFEEW-MRXNPFEDSA-N 1 1 318.373 3.074 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000295374508 434333698 /nfs/dbraw/zinc/33/36/98/434333698.db2.gz OPOCFXSGHRVVQA-JTQLQIEISA-N 1 1 309.772 3.287 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000295374508 434333706 /nfs/dbraw/zinc/33/37/06/434333706.db2.gz OPOCFXSGHRVVQA-JTQLQIEISA-N 1 1 309.772 3.287 20 10 DGCDMO CCCc1[nH+]ccn1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000296160802 434529551 /nfs/dbraw/zinc/52/95/51/434529551.db2.gz YQMZEVUADKHPBM-UHFFFAOYSA-N 1 1 313.445 3.499 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC12CCCCC2 ZINC000369326760 434593362 /nfs/dbraw/zinc/59/33/62/434593362.db2.gz KUSICYXDMQGGJG-UHFFFAOYSA-N 1 1 300.446 3.432 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cc2c(cc1O)CCCC2 ZINC000370397828 434611110 /nfs/dbraw/zinc/61/11/10/434611110.db2.gz OHHSYNIFKDYKCA-WBMJQRKESA-N 1 1 311.429 3.202 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2cccnc2C)c1 ZINC000527794056 435015071 /nfs/dbraw/zinc/01/50/71/435015071.db2.gz RVCQBSSMXIXOBZ-UHFFFAOYSA-N 1 1 321.218 3.456 20 10 DGCDMO CCn1nncc1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000527917256 435017618 /nfs/dbraw/zinc/01/76/18/435017618.db2.gz SLADISDCXIKBIB-QMMMGPOBSA-N 1 1 315.204 3.161 20 10 DGCDMO COC(=O)c1occc1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000355124175 534387662 /nfs/dbraw/zinc/38/76/62/534387662.db2.gz KRXHFHKYDQXHOT-UHFFFAOYSA-N 1 1 312.369 3.156 20 10 DGCDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180020530 520659903 /nfs/dbraw/zinc/65/99/03/520659903.db2.gz MXECQFYRMNKPBQ-ZIAGYGMSSA-N 1 1 322.424 3.048 20 10 DGCDMO CC[N@H+](Cc1cn(C(C)(C)C)nn1)Cc1ccc(N(C)C)cc1 ZINC000191156475 521427851 /nfs/dbraw/zinc/42/78/51/521427851.db2.gz YJXVUDQUTOHKIZ-UHFFFAOYSA-N 1 1 315.465 3.121 20 10 DGCDMO CC[N@@H+](Cc1cn(C(C)(C)C)nn1)Cc1ccc(N(C)C)cc1 ZINC000191156475 521427859 /nfs/dbraw/zinc/42/78/59/521427859.db2.gz YJXVUDQUTOHKIZ-UHFFFAOYSA-N 1 1 315.465 3.121 20 10 DGCDMO CCSCC[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000180670832 521715254 /nfs/dbraw/zinc/71/52/54/521715254.db2.gz PNWKHMZQXDWBPR-LBPRGKRZSA-N 1 1 313.463 3.373 20 10 DGCDMO CN1Cc2ccccc2[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000365170597 524029739 /nfs/dbraw/zinc/02/97/39/524029739.db2.gz LMXQYLQMTXSLNB-OAHLLOKOSA-N 1 1 320.795 3.461 20 10 DGCDMO Cc1cccc(C[N@H+](C)Cc2cc(Br)cn2C)c1O ZINC000180720516 524377373 /nfs/dbraw/zinc/37/73/73/524377373.db2.gz JHNFKDKVWLFLDJ-UHFFFAOYSA-N 1 1 323.234 3.434 20 10 DGCDMO CCc1nnc(C[N@@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000731845579 574560340 /nfs/dbraw/zinc/56/03/40/574560340.db2.gz DXFAMWOTVMQTKI-UHFFFAOYSA-N 1 1 301.390 3.282 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000733324861 574616020 /nfs/dbraw/zinc/61/60/20/574616020.db2.gz HKOBBXPHIAMUTF-ZDUSSCGKSA-N 1 1 303.324 3.244 20 10 DGCDMO Cc1ccn2cc(C[NH2+]Cc3c(O)cccc3Cl)nc2c1 ZINC000733326858 574616296 /nfs/dbraw/zinc/61/62/96/574616296.db2.gz GOTSQZCRALYYAR-UHFFFAOYSA-N 1 1 301.777 3.292 20 10 DGCDMO CCn1cc(C[N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)cn1 ZINC000733790067 574637828 /nfs/dbraw/zinc/63/78/28/574637828.db2.gz BOXFKYDSWLNBGS-UHFFFAOYSA-N 1 1 317.433 3.244 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)cc1 ZINC000734636872 574671835 /nfs/dbraw/zinc/67/18/35/574671835.db2.gz CDRMNDFCKVLQFB-HXUWFJFHSA-N 1 1 310.441 3.498 20 10 DGCDMO CC(C)[N@@H+](CCN1CCCCC1)Cc1ccc(N(C)C)cc1 ZINC000736943903 574811995 /nfs/dbraw/zinc/81/19/95/574811995.db2.gz DUFYTJQUPYSTDA-UHFFFAOYSA-N 1 1 303.494 3.449 20 10 DGCDMO CC(C)N(CC[NH+]1CCCCC1)Cc1ccc(N(C)C)cc1 ZINC000736943903 574811996 /nfs/dbraw/zinc/81/19/96/574811996.db2.gz DUFYTJQUPYSTDA-UHFFFAOYSA-N 1 1 303.494 3.449 20 10 DGCDMO CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCOC1 ZINC000738080541 574858585 /nfs/dbraw/zinc/85/85/85/574858585.db2.gz GQNIAIKBDIHEIC-ZDUSSCGKSA-N 1 1 307.434 3.254 20 10 DGCDMO COC[C@@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000739867354 574913900 /nfs/dbraw/zinc/91/39/00/574913900.db2.gz BAASFIHCKQEALJ-CYBMUJFWSA-N 1 1 315.413 3.486 20 10 DGCDMO Cc1ccc(N2CCC[C@H]([N@@H+](C)Cc3ccccc3O)C2=O)cc1 ZINC000744403363 575340052 /nfs/dbraw/zinc/34/00/52/575340052.db2.gz YNOXZRCUWNMMIF-SFHVURJKSA-N 1 1 324.424 3.328 20 10 DGCDMO COC(=O)/C(C)=C/C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000748818217 575609842 /nfs/dbraw/zinc/60/98/42/575609842.db2.gz SDKPZNBJUDEAKC-SDNWHVSQSA-N 1 1 303.402 3.256 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1O ZINC000750837214 575754874 /nfs/dbraw/zinc/75/48/74/575754874.db2.gz IMZLEFNKDICVNY-SFHVURJKSA-N 1 1 321.392 3.127 20 10 DGCDMO CCC[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1ccccc1O ZINC000750875750 575757081 /nfs/dbraw/zinc/75/70/81/575757081.db2.gz WOVCVRKWHALITP-DOTOQJQBSA-N 1 1 318.461 3.299 20 10 DGCDMO [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853093795 620667781 /nfs/dbraw/zinc/66/77/81/620667781.db2.gz RJJBDHJJTLUURJ-CQSZACIVSA-N 1 1 308.853 3.257 20 10 DGCDMO [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093795 620667783 /nfs/dbraw/zinc/66/77/83/620667783.db2.gz RJJBDHJJTLUURJ-CQSZACIVSA-N 1 1 308.853 3.257 20 10 DGCDMO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)Cc1ccccc1O ZINC000111235931 620685346 /nfs/dbraw/zinc/68/53/46/620685346.db2.gz OUVNTVASHQBXAA-GJZGRUSLSA-N 1 1 324.424 3.190 20 10 DGCDMO COc1cc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c(O)cc1C ZINC000853583005 620712867 /nfs/dbraw/zinc/71/28/67/620712867.db2.gz NONMOLZUVXFULA-UHFFFAOYSA-N 1 1 317.429 3.100 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)cc1C ZINC000853611440 620716410 /nfs/dbraw/zinc/71/64/10/620716410.db2.gz NGOUQUKRJAHJKS-ZDUSSCGKSA-N 1 1 303.324 3.162 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](CC(F)(F)F)C2)cc1C ZINC000853611440 620716413 /nfs/dbraw/zinc/71/64/13/620716413.db2.gz NGOUQUKRJAHJKS-ZDUSSCGKSA-N 1 1 303.324 3.162 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@@](C)(C(F)F)O1 ZINC000853631369 620717640 /nfs/dbraw/zinc/71/76/40/620717640.db2.gz VPOZQLRBGIWJED-DIFFPNOSSA-N 1 1 311.372 3.125 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@](C)(C(F)F)O1 ZINC000853631373 620717852 /nfs/dbraw/zinc/71/78/52/620717852.db2.gz VPOZQLRBGIWJED-PIGZYNQJSA-N 1 1 311.372 3.125 20 10 DGCDMO CCC[N@@H+](Cc1ccc(OCCOC)o1)Cc1ccccc1O ZINC000891853049 617912227 /nfs/dbraw/zinc/91/22/27/617912227.db2.gz AFSUJSLZFSZJRZ-UHFFFAOYSA-N 1 1 319.401 3.423 20 10 DGCDMO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cc(F)ccc1O ZINC000854221899 620785050 /nfs/dbraw/zinc/78/50/50/620785050.db2.gz BPUNCWHWGXFHRG-FDQGKXFDSA-N 1 1 314.404 3.328 20 10 DGCDMO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cc(F)ccc1O ZINC000854221901 620785155 /nfs/dbraw/zinc/78/51/55/620785155.db2.gz BPUNCWHWGXFHRG-MZMPZRCHSA-N 1 1 314.404 3.328 20 10 DGCDMO Cc1ccc(O)c([C@H](C)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000854223751 620785704 /nfs/dbraw/zinc/78/57/04/620785704.db2.gz VMWWGEYSUCXEEK-KVSKMBFKSA-N 1 1 310.441 3.497 20 10 DGCDMO COc1ccc(CN[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000920182837 620789288 /nfs/dbraw/zinc/78/92/88/620789288.db2.gz ZOCPVMZPGRCLAU-HLLBOEOZSA-N 1 1 304.478 3.460 20 10 DGCDMO COc1ccc(C[NH2+][C@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1C ZINC000920182837 620789291 /nfs/dbraw/zinc/78/92/91/620789291.db2.gz ZOCPVMZPGRCLAU-HLLBOEOZSA-N 1 1 304.478 3.460 20 10 DGCDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000920258068 620792835 /nfs/dbraw/zinc/79/28/35/620792835.db2.gz GLCBVKLWUHFVEL-NXHRZFHOSA-N 1 1 316.445 3.059 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000894480887 618350187 /nfs/dbraw/zinc/35/01/87/618350187.db2.gz RIIZBOXJTOJWFQ-SFHVURJKSA-N 1 1 317.335 3.302 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000894480887 618350193 /nfs/dbraw/zinc/35/01/93/618350193.db2.gz RIIZBOXJTOJWFQ-SFHVURJKSA-N 1 1 317.335 3.302 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000895056743 618521367 /nfs/dbraw/zinc/52/13/67/618521367.db2.gz ASXRCOXTMLUZSO-KRWDZBQOSA-N 1 1 323.383 3.452 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000895056743 618521369 /nfs/dbraw/zinc/52/13/69/618521369.db2.gz ASXRCOXTMLUZSO-KRWDZBQOSA-N 1 1 323.383 3.452 20 10 DGCDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000840918002 618530004 /nfs/dbraw/zinc/53/00/04/618530004.db2.gz XTOUBNMTDXREJJ-VQIMIIECSA-N 1 1 303.494 3.223 20 10 DGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000840918002 618530008 /nfs/dbraw/zinc/53/00/08/618530008.db2.gz XTOUBNMTDXREJJ-VQIMIIECSA-N 1 1 303.494 3.223 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000840936598 618610511 /nfs/dbraw/zinc/61/05/11/618610511.db2.gz MBGKORSNFCWNBU-IBGZPJMESA-N 1 1 302.462 3.452 20 10 DGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c1O ZINC000925776483 618616024 /nfs/dbraw/zinc/61/60/24/618616024.db2.gz KRXCGBZOZSSTRF-MNOVXSKESA-N 1 1 318.795 3.249 20 10 DGCDMO COC1([C@H](C)[NH2+]Cc2cccc(Br)c2O)CCC1 ZINC000840970142 618646376 /nfs/dbraw/zinc/64/63/76/618646376.db2.gz QMAMDQZEBMEPTA-JTQLQIEISA-N 1 1 314.223 3.202 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cn(C)cn2)cc1F ZINC000925014417 618764315 /nfs/dbraw/zinc/76/43/15/618764315.db2.gz QFHUSZYFOPNKFJ-CYBMUJFWSA-N 1 1 304.413 3.256 20 10 DGCDMO COc1cc(C)cc(CNC2CC[NH+](C3CCCC3)CC2)c1O ZINC000894324650 618764544 /nfs/dbraw/zinc/76/45/44/618764544.db2.gz AHJCSPZFVKXZIX-UHFFFAOYSA-N 1 1 318.461 3.206 20 10 DGCDMO [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000895413455 618781135 /nfs/dbraw/zinc/78/11/35/618781135.db2.gz DSHXXLPAOLHZHA-GFCCVEGCSA-N 1 1 305.324 3.366 20 10 DGCDMO Oc1ccc([C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3O)C2)cc1 ZINC000895413455 618781137 /nfs/dbraw/zinc/78/11/37/618781137.db2.gz DSHXXLPAOLHZHA-GFCCVEGCSA-N 1 1 305.324 3.366 20 10 DGCDMO Oc1ccc([C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C2)cc1 ZINC000895413455 618781138 /nfs/dbraw/zinc/78/11/38/618781138.db2.gz DSHXXLPAOLHZHA-GFCCVEGCSA-N 1 1 305.324 3.366 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(Cl)c1 ZINC000895835824 618840221 /nfs/dbraw/zinc/84/02/21/618840221.db2.gz FSHOHMZLKLMFGS-CYBMUJFWSA-N 1 1 323.742 3.101 20 10 DGCDMO COC1(OC)CC2(C[N@@H+](Cc3c(C)cccc3O)[C@H]2C(C)C)C1 ZINC000895987407 618857766 /nfs/dbraw/zinc/85/77/66/618857766.db2.gz DZJXOKWCRZFNSD-KRWDZBQOSA-N 1 1 319.445 3.310 20 10 DGCDMO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c(O)c1 ZINC000896218338 618888022 /nfs/dbraw/zinc/88/80/22/618888022.db2.gz XHPMFHXHKGNMJF-QUCCMNQESA-N 1 1 309.409 3.101 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000896227827 618888997 /nfs/dbraw/zinc/88/89/97/618888997.db2.gz PCNOZMVYBZOQFP-CYBMUJFWSA-N 1 1 319.298 3.267 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896229056 618889045 /nfs/dbraw/zinc/88/90/45/618889045.db2.gz YVCOLYQKMVAGJT-GFCCVEGCSA-N 1 1 307.262 3.398 20 10 DGCDMO COc1cc(C)cc(C[NH2+]Cc2c(O)cccc2F)c1OC ZINC000896638462 618939773 /nfs/dbraw/zinc/93/97/73/618939773.db2.gz BVYKLPUVTUWRQQ-UHFFFAOYSA-N 1 1 305.349 3.147 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCn3nc(C4CC4)cc3C2)cc1 ZINC000896938037 618989144 /nfs/dbraw/zinc/98/91/44/618989144.db2.gz GXNCUPSKHRTIHA-ONEGZZNKSA-N 1 1 322.456 3.356 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCn3nc(C4CC4)cc3C2)cc1 ZINC000896938037 618989146 /nfs/dbraw/zinc/98/91/46/618989146.db2.gz GXNCUPSKHRTIHA-ONEGZZNKSA-N 1 1 322.456 3.356 20 10 DGCDMO CCc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000121307482 619048030 /nfs/dbraw/zinc/04/80/30/619048030.db2.gz IINMJDSLSNEKAT-UHFFFAOYSA-N 1 1 314.429 3.311 20 10 DGCDMO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(Cl)cc1O ZINC000841757975 619163426 /nfs/dbraw/zinc/16/34/26/619163426.db2.gz QMGGDYOOSKJHMX-QMMMGPOBSA-N 1 1 300.189 3.283 20 10 DGCDMO CCOc1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)c(O)c1 ZINC000897945178 619197729 /nfs/dbraw/zinc/19/77/29/619197729.db2.gz WJXZPQBNIMSCFB-UHFFFAOYSA-N 1 1 304.390 3.366 20 10 DGCDMO Oc1c(F)cc(Cl)cc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897980632 619202492 /nfs/dbraw/zinc/20/24/92/619202492.db2.gz AWUSUYFRZCXKRE-UHFFFAOYSA-N 1 1 312.816 3.291 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c(O)c1 ZINC000898071489 619212834 /nfs/dbraw/zinc/21/28/34/619212834.db2.gz LXUHOVRLAJXBBR-ZDUSSCGKSA-N 1 1 318.442 3.312 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000898167485 619219756 /nfs/dbraw/zinc/21/97/56/619219756.db2.gz GVXKTBMFGVMVRY-HNNXBMFYSA-N 1 1 309.413 3.080 20 10 DGCDMO OCCc1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000898171056 619220570 /nfs/dbraw/zinc/22/05/70/619220570.db2.gz PMFLAEDRRCBKEQ-UHFFFAOYSA-N 1 1 309.768 3.009 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](Cc3nccs3)C1)CCC2 ZINC000902646345 619660995 /nfs/dbraw/zinc/66/09/95/619660995.db2.gz LELLLSRDRJWOGL-ZDUSSCGKSA-N 1 1 314.454 3.402 20 10 DGCDMO C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1O ZINC000903238948 619742167 /nfs/dbraw/zinc/74/21/67/619742167.db2.gz CDYCWWUSRCEWIU-LLVKDONJSA-N 1 1 324.396 3.239 20 10 DGCDMO C[C@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1c(O)cccc1F ZINC000903272635 619750147 /nfs/dbraw/zinc/75/01/47/619750147.db2.gz WHQNGZHHURFBTB-RFUYNDQBSA-N 1 1 315.388 3.275 20 10 DGCDMO Cc1cc(CO)cc(C)c1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000903303024 619753891 /nfs/dbraw/zinc/75/38/91/619753891.db2.gz JDQYDZOPZQPUKT-ZDUSSCGKSA-N 1 1 303.377 3.491 20 10 DGCDMO C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1cccc(C(F)(F)F)c1O ZINC000903438375 619775109 /nfs/dbraw/zinc/77/51/09/619775109.db2.gz UMNSQAUVHVLQKP-WFBYXXMGSA-N 1 1 315.335 3.487 20 10 DGCDMO C[C@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cncs1 ZINC000903448421 619778493 /nfs/dbraw/zinc/77/84/93/619778493.db2.gz PBCDBRIQPWCAFZ-XJKSGUPXSA-N 1 1 318.490 3.163 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CC[C@H](CC(=O)OC)C1)c1ccc(F)cc1O ZINC000903451786 619778972 /nfs/dbraw/zinc/77/89/72/619778972.db2.gz YMCWHMOZAGSJIV-LNSITVRQSA-N 1 1 309.381 3.304 20 10 DGCDMO Cn1nccc1[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000905734053 620023931 /nfs/dbraw/zinc/02/39/31/620023931.db2.gz BDEIKDFEPBDPOD-GOSISDBHSA-N 1 1 311.429 3.342 20 10 DGCDMO [NH3+]C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CCCC1 ZINC000841087441 620233990 /nfs/dbraw/zinc/23/39/90/620233990.db2.gz NNDRJYQDQWQMBR-CYBMUJFWSA-N 1 1 303.233 3.306 20 10 DGCDMO [NH3+]C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CCCC1 ZINC000841087442 620234142 /nfs/dbraw/zinc/23/41/42/620234142.db2.gz NNDRJYQDQWQMBR-ZDUSSCGKSA-N 1 1 303.233 3.306 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)CCOc2ccc(F)cc2)c1O ZINC000153398321 620558828 /nfs/dbraw/zinc/55/88/28/620558828.db2.gz FSCGSXYZRQXYPG-UHFFFAOYSA-N 1 1 319.376 3.359 20 10 DGCDMO COc1ccc(CNCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000915678507 620593481 /nfs/dbraw/zinc/59/34/81/620593481.db2.gz PNGGMZQCIGMONF-HZPDHXFCSA-N 1 1 304.478 3.461 20 10 DGCDMO C[NH+](C)C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921506172 620877252 /nfs/dbraw/zinc/87/72/52/620877252.db2.gz NSFIHLJZNWMFJS-LJQANCHMSA-N 1 1 310.441 3.404 20 10 DGCDMO CCOc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c1O ZINC000922523998 621050818 /nfs/dbraw/zinc/05/08/18/621050818.db2.gz ANUJINWNGPLOGA-WMLDXEAASA-N 1 1 317.360 3.352 20 10 DGCDMO CCOc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000922527439 621051098 /nfs/dbraw/zinc/05/10/98/621051098.db2.gz ZNCVLKMAFGYGQI-MAUKXSAKSA-N 1 1 317.360 3.352 20 10 DGCDMO CN(C)c1ccc(/C=C\C[NH2+][C@H](c2ncccn2)C2CC2)cc1 ZINC000922577265 621059960 /nfs/dbraw/zinc/05/99/60/621059960.db2.gz PNVZGCDMGIQABJ-AJNOYIKESA-N 1 1 308.429 3.297 20 10 DGCDMO CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000857757941 621117983 /nfs/dbraw/zinc/11/79/83/621117983.db2.gz XQBPYXZWVCXMOD-HOTGVXAUSA-N 1 1 319.493 3.268 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1O ZINC000858015327 621145692 /nfs/dbraw/zinc/14/56/92/621145692.db2.gz YYAADZJHHCXPGN-KRWDZBQOSA-N 1 1 312.413 3.311 20 10 DGCDMO CN(C)c1cc(F)c(C[NH2+]Cc2cccc3c2OCO3)cc1F ZINC000858105860 621153314 /nfs/dbraw/zinc/15/33/14/621153314.db2.gz UNFHVSYNYPBMHM-UHFFFAOYSA-N 1 1 320.339 3.049 20 10 DGCDMO COc1cnccc1[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858159158 621160332 /nfs/dbraw/zinc/16/03/32/621160332.db2.gz XJDXNFRAPDVEAS-NSHDSACASA-N 1 1 321.371 3.285 20 10 DGCDMO CN(C)c1cc(F)c(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)cc1F ZINC000858190004 621163423 /nfs/dbraw/zinc/16/34/23/621163423.db2.gz XWWXVPBSJRNJDQ-AEFFLSMTSA-N 1 1 318.367 3.299 20 10 DGCDMO CN(C)c1cc(F)c(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)cc1F ZINC000858190005 621163456 /nfs/dbraw/zinc/16/34/56/621163456.db2.gz XWWXVPBSJRNJDQ-FUHWJXTLSA-N 1 1 318.367 3.299 20 10 DGCDMO Oc1ccccc1C[N@H+](Cc1ccnc(F)c1)C[C@@H]1CCCO1 ZINC000859191074 621258775 /nfs/dbraw/zinc/25/87/75/621258775.db2.gz USKQSUBFEHYNDH-INIZCTEOSA-N 1 1 316.376 3.108 20 10 DGCDMO Oc1ccccc1C[N@H+](Cc1ccnc(F)c1)C[C@H]1CCCO1 ZINC000859191075 621258907 /nfs/dbraw/zinc/25/89/07/621258907.db2.gz USKQSUBFEHYNDH-MRXNPFEDSA-N 1 1 316.376 3.108 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000859411806 621275472 /nfs/dbraw/zinc/27/54/72/621275472.db2.gz NHERVUJFKZDDMG-AOOOYVTPSA-N 1 1 315.335 3.457 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000859411806 621275475 /nfs/dbraw/zinc/27/54/75/621275475.db2.gz NHERVUJFKZDDMG-AOOOYVTPSA-N 1 1 315.335 3.457 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC(C)(C)C1 ZINC000839184908 621345381 /nfs/dbraw/zinc/34/53/81/621345381.db2.gz MZYQKBLUQKLMLR-UHFFFAOYSA-N 1 1 306.425 3.283 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)C[C@H](C)c2nccs2)c(O)c1 ZINC000753596182 621452665 /nfs/dbraw/zinc/45/26/65/621452665.db2.gz VXNAZYOXQTXUCN-LBPRGKRZSA-N 1 1 306.431 3.483 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](CC[C@@H]3CCCCO3)CC2)cc1 ZINC000754016455 621480149 /nfs/dbraw/zinc/48/01/49/621480149.db2.gz XERZTPWBFJLXGA-IBGZPJMESA-N 1 1 318.461 3.167 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H]2CN2CCCCC2)c1 ZINC000754731793 621529060 /nfs/dbraw/zinc/52/90/60/621529060.db2.gz GUMSHGBUSFJDFV-SFHVURJKSA-N 1 1 302.462 3.459 20 10 DGCDMO Cc1cc(C)c(O)c(CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000754731793 621529062 /nfs/dbraw/zinc/52/90/62/621529062.db2.gz GUMSHGBUSFJDFV-SFHVURJKSA-N 1 1 302.462 3.459 20 10 DGCDMO CSCCC[N@@H+](C)Cc1c(O)cccc1Br ZINC000862354245 621576939 /nfs/dbraw/zinc/57/69/39/621576939.db2.gz POBNBLGSPIEODR-UHFFFAOYSA-N 1 1 304.253 3.340 20 10 DGCDMO C[C@H](CO)[N@H+](Cc1cc(F)c(N(C)C)cc1F)CC1CCC1 ZINC000862358869 621577713 /nfs/dbraw/zinc/57/77/13/621577713.db2.gz YKYPYTUAATXVQP-GFCCVEGCSA-N 1 1 312.404 3.014 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1F ZINC000862398367 621584333 /nfs/dbraw/zinc/58/43/33/621584333.db2.gz GQRWNAQOXNMCMS-CXAGYDPISA-N 1 1 324.415 3.422 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cccc3n[nH]cc32)cc1 ZINC000862400474 621585182 /nfs/dbraw/zinc/58/51/82/621585182.db2.gz AFEPHKKZAUOOGM-UHFFFAOYSA-N 1 1 324.428 3.140 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)CC2(C)COC2)c(C(F)(F)F)c1 ZINC000862479291 621593536 /nfs/dbraw/zinc/59/35/36/621593536.db2.gz JUVQDMMLTJFKCD-UHFFFAOYSA-N 1 1 316.367 3.240 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1C(=O)OC(C)(C)C ZINC000862486100 621594800 /nfs/dbraw/zinc/59/48/00/621594800.db2.gz VNOZKPUCBAGRSY-UKRRQHHQSA-N 1 1 305.418 3.192 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccc(F)cc1O ZINC000756340345 621629246 /nfs/dbraw/zinc/62/92/46/621629246.db2.gz DWWUSEKJJQTFQI-PBHICJAKSA-N 1 1 316.420 3.355 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2cccc(F)c2)c1 ZINC000756360356 621630980 /nfs/dbraw/zinc/63/09/80/621630980.db2.gz RXVGHSGHOJDTDU-LBPRGKRZSA-N 1 1 317.360 3.211 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2ccco2)c1 ZINC000756381167 621633348 /nfs/dbraw/zinc/63/33/48/621633348.db2.gz XTRSYBXELXKYOX-NWDGAFQWSA-N 1 1 303.358 3.054 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(F)cc(F)c1O ZINC000756402723 621635649 /nfs/dbraw/zinc/63/56/49/621635649.db2.gz OFJXHUCIQTWUCA-XPTSAGLGSA-N 1 1 307.344 3.132 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000756459812 621640193 /nfs/dbraw/zinc/64/01/93/621640193.db2.gz XNHLUGRTQHCALG-SNVBAGLBSA-N 1 1 321.323 3.308 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nc(C)cs2)c1 ZINC000756533761 621645922 /nfs/dbraw/zinc/64/59/22/621645922.db2.gz IBQFUOSITGUTAB-QWRGUYRKSA-N 1 1 320.414 3.356 20 10 DGCDMO Cc1ccc([C@@H](C)[NH2+]Cc2n[nH]cc2Br)c(O)c1C ZINC000756585060 621651067 /nfs/dbraw/zinc/65/10/67/621651067.db2.gz JQBXAVKBVBCZBK-SNVBAGLBSA-N 1 1 324.222 3.345 20 10 DGCDMO CCCC(O)(CCC)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756591418 621651615 /nfs/dbraw/zinc/65/16/15/621651615.db2.gz GKPLLZLRQXJSQR-CYBMUJFWSA-N 1 1 323.433 3.161 20 10 DGCDMO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc(F)cc(F)c1O ZINC000756593025 621651766 /nfs/dbraw/zinc/65/17/66/621651766.db2.gz LCSBISQCLLOSSG-VFZGTOFNSA-N 1 1 313.369 3.290 20 10 DGCDMO Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccc(F)cc3O)nc12 ZINC000756628357 621653631 /nfs/dbraw/zinc/65/36/31/621653631.db2.gz LPSOOYFIIGQQNG-ZDUSSCGKSA-N 1 1 313.376 3.381 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)c2ccncc2)c1 ZINC000756632964 621654702 /nfs/dbraw/zinc/65/47/02/621654702.db2.gz GCWNCGXXWBRDFF-CHWSQXEVSA-N 1 1 314.385 3.028 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2CCC(OC)CC2)c1 ZINC000756640897 621655320 /nfs/dbraw/zinc/65/53/20/621655320.db2.gz DMOUCWKWRKSQSA-DNOWBOINSA-N 1 1 321.417 3.035 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cnccc2C)c1 ZINC000756675957 621658450 /nfs/dbraw/zinc/65/84/50/621658450.db2.gz JHBFXPRCHGSITI-OLZOCXBDSA-N 1 1 314.385 3.294 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cnccc2C)c1 ZINC000756675959 621658565 /nfs/dbraw/zinc/65/85/65/621658565.db2.gz JHBFXPRCHGSITI-STQMWFEESA-N 1 1 314.385 3.294 20 10 DGCDMO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756735695 621661897 /nfs/dbraw/zinc/66/18/97/621661897.db2.gz GYTCIEMOMLXBQD-ZANVPECISA-N 1 1 313.369 3.425 20 10 DGCDMO C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(F)cc1O ZINC000756770473 621663233 /nfs/dbraw/zinc/66/32/33/621663233.db2.gz XPCPNIAJPKYQIF-NSHDSACASA-N 1 1 301.365 3.092 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2sccc2C)c1 ZINC000756788959 621664766 /nfs/dbraw/zinc/66/47/66/621664766.db2.gz ZLBJWKVRYPMKSV-GFCCVEGCSA-N 1 1 319.426 3.442 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Br)c(F)cc1O ZINC000756820573 621666649 /nfs/dbraw/zinc/66/66/49/621666649.db2.gz YHHUJONALKALBM-YUMQZZPRSA-N 1 1 320.202 3.104 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1)CCCC2 ZINC000789500071 625511575 /nfs/dbraw/zinc/51/15/75/625511575.db2.gz BZPDCUJLXWFVAS-PKOBYXMFSA-N 1 1 301.430 3.414 20 10 DGCDMO CCc1cccc(CN2CCC(C)([NH+]3CCCC3)CC2)c1O ZINC000864050651 621732323 /nfs/dbraw/zinc/73/23/23/621732323.db2.gz MQXWNIYCBZXESM-UHFFFAOYSA-N 1 1 302.462 3.405 20 10 DGCDMO Nc1ccc(-n2cc(C[NH2+][C@@H]3CCCc4ccccc43)nn2)cc1 ZINC000864619187 621792198 /nfs/dbraw/zinc/79/21/98/621792198.db2.gz AROKPTQLMDSNIK-LJQANCHMSA-N 1 1 319.412 3.017 20 10 DGCDMO C[C@H]1[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCOC1(C)C ZINC000763209996 622130572 /nfs/dbraw/zinc/13/05/72/622130572.db2.gz FSNZQSQDXVYJCZ-GFCCVEGCSA-N 1 1 307.434 3.395 20 10 DGCDMO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(N(C)C)cc1 ZINC000866563751 622139543 /nfs/dbraw/zinc/13/95/43/622139543.db2.gz QGGARJBFTSZWSQ-NSHDSACASA-N 1 1 308.376 3.275 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@@H]1n1ccnc1 ZINC000121625056 622167476 /nfs/dbraw/zinc/16/74/76/622167476.db2.gz 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ZINC000768099058 622438479 /nfs/dbraw/zinc/43/84/79/622438479.db2.gz WBHJMZQVYZHAHM-KGLIPLIRSA-N 1 1 317.458 3.392 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)CCOc2ccc(F)cc2)c1 ZINC000768213339 622445500 /nfs/dbraw/zinc/44/55/00/622445500.db2.gz QWVVOEOKHGSMTA-UHFFFAOYSA-N 1 1 319.376 3.441 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CCCCC1)[C@@H](O)CO2 ZINC000768442514 622456111 /nfs/dbraw/zinc/45/61/11/622456111.db2.gz KWXKAVIJKKJURL-AEFFLSMTSA-N 1 1 317.429 3.363 20 10 DGCDMO COc1cc(O)c(C[N@@H+](Cc2ccccn2)C(C)C)cc1OC ZINC000768444336 622456161 /nfs/dbraw/zinc/45/61/61/622456161.db2.gz XPWHUGHZFIOIAF-UHFFFAOYSA-N 1 1 316.401 3.215 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccsc1)[C@@H](O)CO2 ZINC000768439707 622456184 /nfs/dbraw/zinc/45/61/84/622456184.db2.gz MRXKUCYNPBEAKL-ZBFHGGJFSA-N 1 1 317.410 3.217 20 10 DGCDMO CCC[N@H+](CC(=O)OCC)Cc1cc2c(cc1O)CCCC2 ZINC000768442725 622456191 /nfs/dbraw/zinc/45/61/91/622456191.db2.gz NFKYOFZDDUIHHS-UHFFFAOYSA-N 1 1 305.418 3.046 20 10 DGCDMO CCC[N@@H+](CC(=O)OCC)Cc1cc2c(cc1O)CCCC2 ZINC000768442725 622456192 /nfs/dbraw/zinc/45/61/92/622456192.db2.gz NFKYOFZDDUIHHS-UHFFFAOYSA-N 1 1 305.418 3.046 20 10 DGCDMO COc1cc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)c(O)cc1C ZINC000768441369 622456453 /nfs/dbraw/zinc/45/64/53/622456453.db2.gz KFLXVAGMHVFHRO-HNNXBMFYSA-N 1 1 302.374 3.343 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H]2c2cc(C)on2)c(O)cc1C ZINC000768441369 622456455 /nfs/dbraw/zinc/45/64/55/622456455.db2.gz KFLXVAGMHVFHRO-HNNXBMFYSA-N 1 1 302.374 3.343 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@]3(CC=CCC3)C1)[C@@H](O)CO2 ZINC000768445672 622456878 /nfs/dbraw/zinc/45/68/78/622456878.db2.gz GKKVGTDVYQQPGM-PKOBYXMFSA-N 1 1 315.413 3.140 20 10 DGCDMO CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768445146 622457178 /nfs/dbraw/zinc/45/71/78/622457178.db2.gz QEYVBTQFPLLXSW-BBRMVZONSA-N 1 1 305.418 3.219 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H]([C@@H]3CCOC3)C1)CCCC2 ZINC000768461851 622457585 /nfs/dbraw/zinc/45/75/85/622457585.db2.gz GCKITAOIQLDQDM-IAGOWNOFSA-N 1 1 301.430 3.129 20 10 DGCDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464121 622457999 /nfs/dbraw/zinc/45/79/99/622457999.db2.gz ZYSOYWKFQHXDMQ-MJEQTWJJSA-N 1 1 305.418 3.219 20 10 DGCDMO CCCCC[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462144 622458072 /nfs/dbraw/zinc/45/80/72/622458072.db2.gz JXWSSEGVQGHWAD-WMLDXEAASA-N 1 1 305.418 3.363 20 10 DGCDMO CC(C)CC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462485 622458097 /nfs/dbraw/zinc/45/80/97/622458097.db2.gz LXBGOYKFDNJPAH-WMLDXEAASA-N 1 1 305.418 3.219 20 10 DGCDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462484 622458274 /nfs/dbraw/zinc/45/82/74/622458274.db2.gz LXBGOYKFDNJPAH-RHSMWYFYSA-N 1 1 305.418 3.219 20 10 DGCDMO COc1cc(C[N@@H+]2CCOC[C@H]2c2ccccc2)c(O)cc1C ZINC000768466512 622458768 /nfs/dbraw/zinc/45/87/68/622458768.db2.gz QYZDHGSBEKJSTK-KRWDZBQOSA-N 1 1 313.397 3.283 20 10 DGCDMO COc1cc(C[N@H+]2CCOC[C@H]2c2ccccc2)c(O)cc1C ZINC000768466512 622458769 /nfs/dbraw/zinc/45/87/69/622458769.db2.gz QYZDHGSBEKJSTK-KRWDZBQOSA-N 1 1 313.397 3.283 20 10 DGCDMO COc1cc(C[N@H+]2CCc3cc(F)ccc3C2)c(O)cc1C ZINC000768481260 622459562 /nfs/dbraw/zinc/45/95/62/622459562.db2.gz JMOCQURTLFGQOD-UHFFFAOYSA-N 1 1 301.361 3.407 20 10 DGCDMO CC[N@H+](Cc1cccc(Br)c1[O-])C[C@@H]1CCOC1 ZINC000768521448 622461364 /nfs/dbraw/zinc/46/13/64/622461364.db2.gz QRMZTGLFZZRFKC-NSHDSACASA-N 1 1 314.223 3.013 20 10 DGCDMO COC(=O)C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C(C)C ZINC000768687314 622471167 /nfs/dbraw/zinc/47/11/67/622471167.db2.gz MFKUSVUVLSIUQI-UHFFFAOYSA-N 1 1 313.397 3.443 20 10 DGCDMO COC(=O)C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C(C)C ZINC000768687314 622471168 /nfs/dbraw/zinc/47/11/68/622471168.db2.gz MFKUSVUVLSIUQI-UHFFFAOYSA-N 1 1 313.397 3.443 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000768863999 622481604 /nfs/dbraw/zinc/48/16/04/622481604.db2.gz ZQMGUBQVWRYXBG-UHFFFAOYSA-N 1 1 319.376 3.441 20 10 DGCDMO C[N@@H+](Cc1cnc2ccc(Cl)cn12)Cc1ccccc1O ZINC000768872345 622482121 /nfs/dbraw/zinc/48/21/21/622482121.db2.gz HKOWVWCOZNZMJR-UHFFFAOYSA-N 1 1 301.777 3.325 20 10 DGCDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)c(F)c1 ZINC000768892826 622483700 /nfs/dbraw/zinc/48/37/00/622483700.db2.gz MKKSHSFEYQEZKF-OAHLLOKOSA-N 1 1 316.420 3.275 20 10 DGCDMO COc1cccc(O)c1CN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000768913122 622484658 /nfs/dbraw/zinc/48/46/58/622484658.db2.gz FNZKBBRRKADQDI-XHSDSOJGSA-N 1 1 318.461 3.238 20 10 DGCDMO CCOc1ccc(CN2CCC[N@H+](C(C)(C)C)CC2)c(O)c1 ZINC000769184636 622506183 /nfs/dbraw/zinc/50/61/83/622506183.db2.gz CDSWCQSNDWGXHY-UHFFFAOYSA-N 1 1 306.450 3.097 20 10 DGCDMO CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000769325898 622517548 /nfs/dbraw/zinc/51/75/48/622517548.db2.gz CNPYXMDUKJXEBE-FQEVSTJZSA-N 1 1 313.489 3.345 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000769325898 622517550 /nfs/dbraw/zinc/51/75/50/622517550.db2.gz CNPYXMDUKJXEBE-FQEVSTJZSA-N 1 1 313.489 3.345 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000769325898 622517551 /nfs/dbraw/zinc/51/75/51/622517551.db2.gz CNPYXMDUKJXEBE-FQEVSTJZSA-N 1 1 313.489 3.345 20 10 DGCDMO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000769341629 622519053 /nfs/dbraw/zinc/51/90/53/622519053.db2.gz FMICNKRXYGVTRU-ZDUSSCGKSA-N 1 1 322.836 3.023 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCc3cccc(F)c3C2)c1 ZINC000769436767 622527653 /nfs/dbraw/zinc/52/76/53/622527653.db2.gz XUKNVNPUSYDHCM-UHFFFAOYSA-N 1 1 301.361 3.488 20 10 DGCDMO COc1cc(Br)cc(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1O ZINC000769471425 622531079 /nfs/dbraw/zinc/53/10/79/622531079.db2.gz UHPUGHQVPKIPNE-UWVGGRQHSA-N 1 1 314.223 3.394 20 10 DGCDMO CCOc1ccc(C[N@H+](C)[C@H]2C[C@H](OCC)C2(C)C)c(O)c1 ZINC000769474886 622531556 /nfs/dbraw/zinc/53/15/56/622531556.db2.gz SWQZKCDJXDMQJC-IRXDYDNUSA-N 1 1 307.434 3.426 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)cc1 ZINC000769497852 622533904 /nfs/dbraw/zinc/53/39/04/622533904.db2.gz DFPDLBJDVAANNT-OAQYLSRUSA-N 1 1 323.484 3.459 20 10 DGCDMO CN(C)c1ccc(CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000769497852 622533907 /nfs/dbraw/zinc/53/39/07/622533907.db2.gz DFPDLBJDVAANNT-OAQYLSRUSA-N 1 1 323.484 3.459 20 10 DGCDMO CN(C)c1ccc(CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC000769497852 622533908 /nfs/dbraw/zinc/53/39/08/622533908.db2.gz DFPDLBJDVAANNT-OAQYLSRUSA-N 1 1 323.484 3.459 20 10 DGCDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1c(O)cccc1Cl ZINC000769538704 622539134 /nfs/dbraw/zinc/53/91/34/622539134.db2.gz UTGBBVZZMCFZFL-CQSZACIVSA-N 1 1 305.809 3.289 20 10 DGCDMO Cc1ccccc1CN1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000770509554 622640628 /nfs/dbraw/zinc/64/06/28/622640628.db2.gz OCZABBHJROQFGJ-UHFFFAOYSA-N 1 1 310.441 3.409 20 10 DGCDMO Cc1ccccc1C[N@@H+]1CCCN(Cc2ccccc2O)CC1 ZINC000770509554 622640632 /nfs/dbraw/zinc/64/06/32/622640632.db2.gz OCZABBHJROQFGJ-UHFFFAOYSA-N 1 1 310.441 3.409 20 10 DGCDMO Cc1ccccc1C[N@H+]1CCCN(Cc2ccccc2O)CC1 ZINC000770509554 622640634 /nfs/dbraw/zinc/64/06/34/622640634.db2.gz OCZABBHJROQFGJ-UHFFFAOYSA-N 1 1 310.441 3.409 20 10 DGCDMO C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(F)cc1O ZINC000872110573 622812523 /nfs/dbraw/zinc/81/25/23/622812523.db2.gz ZMUCNABYWFTIQT-SECBINFHSA-N 1 1 317.286 3.097 20 10 DGCDMO CCOCc1cc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)ccc1OC ZINC000872251472 622866785 /nfs/dbraw/zinc/86/67/85/622866785.db2.gz JKEYNDCUBUCJMA-QGZVFWFLSA-N 1 1 320.477 3.100 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c1O ZINC000872259930 622869989 /nfs/dbraw/zinc/86/99/89/622869989.db2.gz FCGFJLQKWUVMNP-INIZCTEOSA-N 1 1 305.418 3.324 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](C3CCC3)CC1)[C@@H](O)CO2 ZINC000872701365 622956029 /nfs/dbraw/zinc/95/60/29/622956029.db2.gz WBJHNASPRZKZRX-KDOFPFPSSA-N 1 1 317.429 3.220 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](c3nc(C)cs3)C2)c1O ZINC000872807307 622982825 /nfs/dbraw/zinc/98/28/25/622982825.db2.gz MTSNVNGGEJFVAS-ZDUSSCGKSA-N 1 1 318.442 3.464 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1O ZINC000773262206 623005357 /nfs/dbraw/zinc/00/53/57/623005357.db2.gz OIZHEZOGFOTEFZ-HOTGVXAUSA-N 1 1 319.445 3.348 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000773732211 623064223 /nfs/dbraw/zinc/06/42/23/623064223.db2.gz ZKLOLBIDKWXSQR-QGZVFWFLSA-N 1 1 312.461 3.256 20 10 DGCDMO CCN(C)c1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000773753962 623067308 /nfs/dbraw/zinc/06/73/08/623067308.db2.gz NVVAZFBOMWLDBI-GOSISDBHSA-N 1 1 301.478 3.060 20 10 DGCDMO Cc1nccnc1[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000873187710 623067951 /nfs/dbraw/zinc/06/79/51/623067951.db2.gz ARRXPACKXLBVBK-SNVBAGLBSA-N 1 1 322.206 3.104 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)Cc2ccc(OC)c(O)c2)cc1 ZINC000773766743 623070799 /nfs/dbraw/zinc/07/07/99/623070799.db2.gz VCVQGHVEUFEJIQ-UHFFFAOYSA-N 1 1 314.429 3.489 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000773765803 623070917 /nfs/dbraw/zinc/07/09/17/623070917.db2.gz NNNAZBRTMNHRIS-GOSISDBHSA-N 1 1 300.402 3.309 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000773765803 623070919 /nfs/dbraw/zinc/07/09/19/623070919.db2.gz NNNAZBRTMNHRIS-GOSISDBHSA-N 1 1 300.402 3.309 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000773802503 623073144 /nfs/dbraw/zinc/07/31/44/623073144.db2.gz VOBBRSHYHXSQIZ-QFBILLFUSA-N 1 1 312.461 3.422 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)cc1 ZINC000773808151 623074118 /nfs/dbraw/zinc/07/41/18/623074118.db2.gz NUGJXCUNJDNJCH-SFHVURJKSA-N 1 1 312.461 3.386 20 10 DGCDMO CCN(C)c1ccc(CN2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000773815314 623074307 /nfs/dbraw/zinc/07/43/07/623074307.db2.gz BFVHIQPBBIPUMS-UHFFFAOYSA-N 1 1 301.478 3.203 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC000773832302 623075891 /nfs/dbraw/zinc/07/58/91/623075891.db2.gz OSPWOZNYJMAJKO-MSOLQXFVSA-N 1 1 304.478 3.372 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)cc1 ZINC000773840188 623078353 /nfs/dbraw/zinc/07/83/53/623078353.db2.gz PHTLIBJNYMIMJY-QGZVFWFLSA-N 1 1 318.461 3.118 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1 ZINC000773840187 623078697 /nfs/dbraw/zinc/07/86/97/623078697.db2.gz PHTLIBJNYMIMJY-KRWDZBQOSA-N 1 1 318.461 3.118 20 10 DGCDMO C[C@@H]([NH2+]CCCn1cncn1)c1cc(Cl)c(Cl)cc1O ZINC000774300262 623128552 /nfs/dbraw/zinc/12/85/52/623128552.db2.gz ZHOYWOFQJMPYPR-SECBINFHSA-N 1 1 315.204 3.031 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774813902 623194956 /nfs/dbraw/zinc/19/49/56/623194956.db2.gz IOHVYTRLWSKVFV-CQSZACIVSA-N 1 1 314.341 3.256 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774982973 623213613 /nfs/dbraw/zinc/21/36/13/623213613.db2.gz HHJHRSUXMNYVDV-NWDGAFQWSA-N 1 1 308.378 3.225 20 10 DGCDMO COc1c(O)c(C[NH2+][C@H](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000775022886 623217330 /nfs/dbraw/zinc/21/73/30/623217330.db2.gz HMOFQOFRJGGCPY-LLVKDONJSA-N 1 1 308.378 3.367 20 10 DGCDMO 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/nfs/dbraw/zinc/30/97/28/624309728.db2.gz IXAHFFBZUSWBAI-UHFFFAOYSA-N 1 1 313.401 3.028 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCOCC3(CC3)C2)cc1F ZINC000783594784 624372577 /nfs/dbraw/zinc/37/25/77/624372577.db2.gz JQKBZCHEFHIDIT-UHFFFAOYSA-N 1 1 306.425 3.284 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000785767086 624730449 /nfs/dbraw/zinc/73/04/49/624730449.db2.gz JOKMJARBMNSTTI-MSOLQXFVSA-N 1 1 302.462 3.391 20 10 DGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H](CF)C3)cc2)CC1 ZINC000880238511 624861881 /nfs/dbraw/zinc/86/18/81/624861881.db2.gz TUFLZEVUCWQLLA-QGZVFWFLSA-N 1 1 320.452 3.483 20 10 DGCDMO Cc1cc(C[N@@H+]2CCc3ncncc3C2)ccc1N1CCCCC1 ZINC000880598868 624985433 /nfs/dbraw/zinc/98/54/33/624985433.db2.gz BCGAGMNECSZSSF-UHFFFAOYSA-N 1 1 322.456 3.334 20 10 DGCDMO Cc1cc(C[N@H+]2CCc3ncncc3C2)ccc1N1CCCCC1 ZINC000880598868 624985437 /nfs/dbraw/zinc/98/54/37/624985437.db2.gz BCGAGMNECSZSSF-UHFFFAOYSA-N 1 1 322.456 3.334 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCOCC(F)F)Cc1ccco1 ZINC000787261231 624992723 /nfs/dbraw/zinc/99/27/23/624992723.db2.gz RVKYMPYPYHXXTJ-UHFFFAOYSA-N 1 1 311.328 3.269 20 10 DGCDMO CCOC(=O)[C@H](CC)[N@H+](Cc1cc(C)c(C)cc1O)C1CC1 ZINC000787438578 625010889 /nfs/dbraw/zinc/01/08/89/625010889.db2.gz CMSLZGPBKNWUAJ-INIZCTEOSA-N 1 1 305.418 3.315 20 10 DGCDMO CCOC(=O)[C@H](CC)[N@@H+](Cc1cc(C)c(C)cc1O)C1CC1 ZINC000787438578 625010894 /nfs/dbraw/zinc/01/08/94/625010894.db2.gz CMSLZGPBKNWUAJ-INIZCTEOSA-N 1 1 305.418 3.315 20 10 DGCDMO CC(C)[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)c1ccnn1C ZINC000788258780 625105515 /nfs/dbraw/zinc/10/55/15/625105515.db2.gz IWXVWLPOVCYDNC-BXUZGUMPSA-N 1 1 323.387 3.494 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc(C(F)(F)F)c1O ZINC000788593223 625222175 /nfs/dbraw/zinc/22/21/75/625222175.db2.gz GXPKGCVVBJZZEY-QWRGUYRKSA-N 1 1 314.351 3.298 20 10 DGCDMO C[C@@H]([NH2+]CC(C)(C)CCO)c1cccc(C(F)(F)F)c1O ZINC000788608330 625227547 /nfs/dbraw/zinc/22/75/47/625227547.db2.gz FJKRGUNSECQKGB-SNVBAGLBSA-N 1 1 305.340 3.470 20 10 DGCDMO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cccc(C(F)(F)F)c1O ZINC000788763486 625261435 /nfs/dbraw/zinc/26/14/35/625261435.db2.gz IZICROYZVQVTHX-UWJYBYFXSA-N 1 1 303.324 3.221 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1O ZINC000788774366 625262708 /nfs/dbraw/zinc/26/27/08/625262708.db2.gz CREUKYHKKZBQJP-AXFHLTTASA-N 1 1 303.324 3.223 20 10 DGCDMO Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c(O)c1 ZINC000788783717 625264434 /nfs/dbraw/zinc/26/44/34/625264434.db2.gz NSFRFCACQFUTFO-IRXDYDNUSA-N 1 1 320.477 3.161 20 10 DGCDMO Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c(O)c1 ZINC000788783719 625264906 /nfs/dbraw/zinc/26/49/06/625264906.db2.gz NSFRFCACQFUTFO-SJORKVTESA-N 1 1 320.477 3.161 20 10 DGCDMO CC(C)[NH+](CCNCc1c(O)ccc(Cl)c1F)C(C)C ZINC000790946492 625719405 /nfs/dbraw/zinc/71/94/05/625719405.db2.gz CFVDPLOYTFQBJT-UHFFFAOYSA-N 1 1 302.821 3.393 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC000790964238 625724579 /nfs/dbraw/zinc/72/45/79/625724579.db2.gz WLKCTYKRIBVBPA-UHFFFAOYSA-N 1 1 321.779 3.452 20 10 DGCDMO C[C@H](O)C[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000883041394 625908235 /nfs/dbraw/zinc/90/82/35/625908235.db2.gz LDUYVTKOAIICJY-GXTWGEPZSA-N 1 1 321.367 3.315 20 10 DGCDMO Cc1ccnc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000792247959 625931126 /nfs/dbraw/zinc/93/11/26/625931126.db2.gz BKYPCJRIURLQOB-SFHVURJKSA-N 1 1 312.413 3.277 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000883136083 625939648 /nfs/dbraw/zinc/93/96/48/625939648.db2.gz ULTGOXJRTQYQMS-HOCLYGCPSA-N 1 1 320.339 3.075 20 10 DGCDMO CC[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(F)cc1O ZINC000796665701 626071536 /nfs/dbraw/zinc/07/15/36/626071536.db2.gz KONHLIJPNJECLI-ZFWWWQNUSA-N 1 1 317.360 3.412 20 10 DGCDMO CN(C)c1ccc(C[N@H+](C)CCCN(C)Cc2ccco2)cc1 ZINC000796675342 626072845 /nfs/dbraw/zinc/07/28/45/626072845.db2.gz MQQPCRWVCFJSHZ-UHFFFAOYSA-N 1 1 315.461 3.300 20 10 DGCDMO CC[C@H]([NH2+]C[C@H]1CSCCS1)c1ccc(F)cc1O ZINC000796792327 626083637 /nfs/dbraw/zinc/08/36/37/626083637.db2.gz GSNGEZHYDYMVES-AAEUAGOBSA-N 1 1 301.452 3.421 20 10 DGCDMO CC[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(F)cc1O ZINC000796819443 626086425 /nfs/dbraw/zinc/08/64/25/626086425.db2.gz XNGJNFIXYZURFW-JKSUJKDBSA-N 1 1 307.340 3.445 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000797586977 626155849 /nfs/dbraw/zinc/15/58/49/626155849.db2.gz OJFJRTZIXDJXBI-WDEREUQCSA-N 1 1 313.344 3.265 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2(CC(=O)OC)CC2)cc1 ZINC000799293740 626284577 /nfs/dbraw/zinc/28/45/77/626284577.db2.gz PNTYDFMIVXAJDR-UHFFFAOYSA-N 1 1 318.461 3.308 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC=C(Br)C1 ZINC000799575331 626310880 /nfs/dbraw/zinc/31/08/80/626310880.db2.gz ULHZVMOITQMXNB-UHFFFAOYSA-N 1 1 319.202 3.425 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)c(O)c1 ZINC000799737051 626326587 /nfs/dbraw/zinc/32/65/87/626326587.db2.gz SYKGJQSPIDBMHV-UHFFFAOYSA-N 1 1 315.417 3.336 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000802656408 626565126 /nfs/dbraw/zinc/56/51/26/626565126.db2.gz KVNPHABMAYUCGG-SFHVURJKSA-N 1 1 301.361 3.472 20 10 DGCDMO CC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H](O)c1ccccc1 ZINC000883203704 626607750 /nfs/dbraw/zinc/60/77/50/626607750.db2.gz JJIUJPQTYSDDNW-RDJZCZTQSA-N 1 1 307.340 3.272 20 10 DGCDMO CC[N@H+](Cc1cccc(Br)c1[O-])C[C@H]1CCCO1 ZINC000132661736 626733314 /nfs/dbraw/zinc/73/33/14/626733314.db2.gz VYCUGBRSUHZQKM-GFCCVEGCSA-N 1 1 314.223 3.156 20 10 DGCDMO CC[N@@H+](Cc1cccc(Br)c1O)C[C@H]1CCCO1 ZINC000132661736 626733317 /nfs/dbraw/zinc/73/33/17/626733317.db2.gz VYCUGBRSUHZQKM-GFCCVEGCSA-N 1 1 314.223 3.156 20 10 DGCDMO CC[N@H+](Cc1cccc(Br)c1O)C[C@H]1CCCO1 ZINC000132661736 626733319 /nfs/dbraw/zinc/73/33/19/626733319.db2.gz VYCUGBRSUHZQKM-GFCCVEGCSA-N 1 1 314.223 3.156 20 10 DGCDMO CC[C@H]1CN(C)CC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000840094531 626756629 /nfs/dbraw/zinc/75/66/29/626756629.db2.gz VAYIAHSIDLQLRG-HNNXBMFYSA-N 1 1 314.429 3.080 20 10 DGCDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(O)cc1C ZINC000840113469 626767512 /nfs/dbraw/zinc/76/75/12/626767512.db2.gz BKCWSNAANRMTDV-ZACQAIPSSA-N 1 1 319.445 3.225 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H]1C ZINC000840122419 626774368 /nfs/dbraw/zinc/77/43/68/626774368.db2.gz DBUFXZRWMOELNA-BLLLJJGKSA-N 1 1 307.434 3.252 20 10 DGCDMO CCC1([NH+]2CCC2)CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000884475898 626886200 /nfs/dbraw/zinc/88/62/00/626886200.db2.gz VZHAHYWYUZSZCP-UHFFFAOYSA-N 1 1 302.462 3.459 20 10 DGCDMO Oc1ccc2oc3c(c2c1C[N@@H+]1CCO[C@@H](CF)C1)CCCC3 ZINC000840172187 626907227 /nfs/dbraw/zinc/90/72/27/626907227.db2.gz NEBCRIKAAPXWST-LBPRGKRZSA-N 1 1 319.376 3.188 20 10 DGCDMO Oc1ccc2oc3c(c2c1C[N@H+]1CCO[C@@H](CF)C1)CCCC3 ZINC000840172187 626907230 /nfs/dbraw/zinc/90/72/30/626907230.db2.gz NEBCRIKAAPXWST-LBPRGKRZSA-N 1 1 319.376 3.188 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccccc2O)c(C)c1OC ZINC000809548774 626919247 /nfs/dbraw/zinc/91/92/47/626919247.db2.gz JEKSUEDWVSPEET-UHFFFAOYSA-N 1 1 301.386 3.350 20 10 DGCDMO C[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC(O)C1 ZINC000809639707 626930963 /nfs/dbraw/zinc/93/09/63/626930963.db2.gz OSZPXAXBHOSOJA-UHFFFAOYSA-N 1 1 322.452 3.204 20 10 DGCDMO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000809690620 626936915 /nfs/dbraw/zinc/93/69/15/626936915.db2.gz AQLSPRMHHGTYDY-INIZCTEOSA-N 1 1 320.433 3.273 20 10 DGCDMO CC[N@H+]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000809697793 626937886 /nfs/dbraw/zinc/93/78/86/626937886.db2.gz OPFDDKQYESWXEW-KRWDZBQOSA-N 1 1 301.478 3.203 20 10 DGCDMO CCN1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000809697793 626937889 /nfs/dbraw/zinc/93/78/89/626937889.db2.gz OPFDDKQYESWXEW-KRWDZBQOSA-N 1 1 301.478 3.203 20 10 DGCDMO CCN1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000809697793 626937890 /nfs/dbraw/zinc/93/78/90/626937890.db2.gz OPFDDKQYESWXEW-KRWDZBQOSA-N 1 1 301.478 3.203 20 10 DGCDMO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c(O)ccc(Cl)c1F ZINC000809703680 626939197 /nfs/dbraw/zinc/93/91/97/626939197.db2.gz OIFZJOHYJQCPCE-VXGBXAGGSA-N 1 1 312.816 3.243 20 10 DGCDMO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000809726865 626942552 /nfs/dbraw/zinc/94/25/52/626942552.db2.gz WOGOCWRJJIQKMH-HNNXBMFYSA-N 1 1 324.396 3.022 20 10 DGCDMO CC[C@H](CSC)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809767048 626949211 /nfs/dbraw/zinc/94/92/11/626949211.db2.gz FSJSJKQZYGHCAA-QGZVFWFLSA-N 1 1 321.534 3.012 20 10 DGCDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809767048 626949213 /nfs/dbraw/zinc/94/92/13/626949213.db2.gz FSJSJKQZYGHCAA-QGZVFWFLSA-N 1 1 321.534 3.012 20 10 DGCDMO COCC[C@@H](COC)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000810258025 626993780 /nfs/dbraw/zinc/99/37/80/626993780.db2.gz XZXNVVJQFKYACQ-ZJUUUORDSA-N 1 1 322.232 3.401 20 10 DGCDMO C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1c([O-])cccc1F ZINC000886548269 627160829 /nfs/dbraw/zinc/16/08/29/627160829.db2.gz ZTWKNQGPTHKFPL-ZNMIVQPWSA-N 1 1 324.440 3.071 20 10 DGCDMO C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1c(O)cccc1F ZINC000886550436 627161307 /nfs/dbraw/zinc/16/13/07/627161307.db2.gz ZTVASUZNRBXMMG-XPTSAGLGSA-N 1 1 311.303 3.194 20 10 DGCDMO C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886556938 627162942 /nfs/dbraw/zinc/16/29/42/627162942.db2.gz NOHHCYSUANTGTP-GTNSWQLSSA-N 1 1 307.340 3.229 20 10 DGCDMO C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1c(O)cccc1F ZINC000886594656 627169763 /nfs/dbraw/zinc/16/97/63/627169763.db2.gz REHCHZNFCMXBCX-GFCCVEGCSA-N 1 1 313.376 3.311 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1c(O)cccc1F ZINC000886642053 627178519 /nfs/dbraw/zinc/17/85/19/627178519.db2.gz ZCGCVMSXEWYIKK-BXKDBHETSA-N 1 1 317.286 3.182 20 10 DGCDMO C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1c(O)cccc1F ZINC000886649464 627180519 /nfs/dbraw/zinc/18/05/19/627180519.db2.gz BFVRFUQWVJRQCU-SECBINFHSA-N 1 1 317.286 3.097 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)c1ccc(F)cc1O ZINC000886771734 627202948 /nfs/dbraw/zinc/20/29/48/627202948.db2.gz MQANDXYOKKCDJF-FRTWLMODSA-N 1 1 323.408 3.155 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O ZINC000811792602 627322646 /nfs/dbraw/zinc/32/26/46/627322646.db2.gz PZOIYQDOJFRWNA-CRAIPNDOSA-N 1 1 317.429 3.243 20 10 DGCDMO CC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@H]1CCOC1 ZINC000812296241 627368112 /nfs/dbraw/zinc/36/81/12/627368112.db2.gz NYYPSTAINYSDBX-AWEZNQCLSA-N 1 1 301.386 3.165 20 10 DGCDMO CC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC(C)(C)C ZINC000812893381 627433624 /nfs/dbraw/zinc/43/36/24/627433624.db2.gz SPOHQOVIRZVHGN-UHFFFAOYSA-N 1 1 319.493 3.079 20 10 DGCDMO CC[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H](C)CO ZINC000814169008 627546069 /nfs/dbraw/zinc/54/60/69/627546069.db2.gz AZJHBPWYZBIXBQ-QGZVFWFLSA-N 1 1 324.468 3.452 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1F ZINC000814178221 627547332 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COc1c(O)c(C[N@@H+]2CC[C@H](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000817415649 627896791 /nfs/dbraw/zinc/89/67/91/627896791.db2.gz WDOYKRIAQSCPSG-ZDUSSCGKSA-N 1 1 320.389 3.321 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@H](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000817415649 627896793 /nfs/dbraw/zinc/89/67/93/627896793.db2.gz WDOYKRIAQSCPSG-ZDUSSCGKSA-N 1 1 320.389 3.321 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1[O-] ZINC000817880393 627952431 /nfs/dbraw/zinc/95/24/31/627952431.db2.gz RNAHNRIXWXZKJN-SUNKGSAMSA-N 1 1 324.852 3.053 20 10 DGCDMO CCN(CC)c1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1F ZINC000817903188 627957128 /nfs/dbraw/zinc/95/71/28/627957128.db2.gz JOEXHFAMTHSZCH-PBHICJAKSA-N 1 1 307.457 3.150 20 10 DGCDMO Cc1ccsc1[C@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938955 627967362 /nfs/dbraw/zinc/96/73/62/627967362.db2.gz WFFPNQSMCIZVLV-XJKSGUPXSA-N 1 1 303.475 3.473 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000817938855 627967876 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C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1c(O)cccc1F ZINC000926922206 627982132 /nfs/dbraw/zinc/98/21/32/627982132.db2.gz IOQXFTMSTQSTTM-GHMZBOCLSA-N 1 1 320.330 3.209 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c1O ZINC000822516778 628459802 /nfs/dbraw/zinc/45/98/02/628459802.db2.gz PSRGGNGYAHAQLS-IBGZPJMESA-N 1 1 315.413 3.130 20 10 DGCDMO C[N@@H+](Cc1c(O)cccc1Cl)C[C@](C)(O)c1ccccc1 ZINC000822515972 628460234 /nfs/dbraw/zinc/46/02/34/628460234.db2.gz GOQTXUTWZNBRFU-KRWDZBQOSA-N 1 1 305.805 3.385 20 10 DGCDMO CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000822757242 628490192 /nfs/dbraw/zinc/49/01/92/628490192.db2.gz UIPKNRGWSZLECV-INIZCTEOSA-N 1 1 304.434 3.005 20 10 DGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@H]2CO)cc1 ZINC000823419300 628559737 /nfs/dbraw/zinc/55/97/37/628559737.db2.gz XTNTVWMKSFKABE-KRWDZBQOSA-N 1 1 316.470 3.341 20 10 DGCDMO C[C@@H]1CN(C2CC2)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000824445648 628661511 /nfs/dbraw/zinc/66/15/11/628661511.db2.gz 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C[C@@]12C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000824703138 628685059 /nfs/dbraw/zinc/68/50/59/628685059.db2.gz WKAHUKAMMLHABV-JYRKZWEQSA-N 1 1 324.468 3.167 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1O ZINC000824715520 628686283 /nfs/dbraw/zinc/68/62/83/628686283.db2.gz LDGNIECBXXPLRB-BZUAXINKSA-N 1 1 309.837 3.479 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824721719 628687750 /nfs/dbraw/zinc/68/77/50/628687750.db2.gz IFSFWLMHAOSDKQ-GDLCADMTSA-N 1 1 313.800 3.310 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824721719 628687751 /nfs/dbraw/zinc/68/77/51/628687751.db2.gz IFSFWLMHAOSDKQ-GDLCADMTSA-N 1 1 313.800 3.310 20 10 DGCDMO COc1cc(C[N@@H+]2CCOCC23CCC3)c(O)c(C(C)(C)C)c1 ZINC000824828396 628698257 /nfs/dbraw/zinc/69/82/57/628698257.db2.gz ASSVUKXKSIDNLE-UHFFFAOYSA-N 1 1 319.445 3.453 20 10 DGCDMO COc1cc(C[N@H+]2CCOCC23CCC3)c(O)c(C(C)(C)C)c1 ZINC000824828396 628698258 /nfs/dbraw/zinc/69/82/58/628698258.db2.gz ASSVUKXKSIDNLE-UHFFFAOYSA-N 1 1 319.445 3.453 20 10 DGCDMO OC[C@@H]([C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1)C1CC1 ZINC000824845090 628699383 /nfs/dbraw/zinc/69/93/83/628699383.db2.gz HNXBHQFEEQAMJC-WBMJQRKESA-N 1 1 313.800 3.071 20 10 DGCDMO CC1(C)CC[N@@H+](Cc2ccc3ccccc3c2O)CC[S@]1=O ZINC000825023674 628717367 /nfs/dbraw/zinc/71/73/67/628717367.db2.gz GVLFULQSJFNMSF-JOCHJYFZSA-N 1 1 317.454 3.278 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCOCC23CCCCC3)c1O ZINC000825099052 628727634 /nfs/dbraw/zinc/72/76/34/628727634.db2.gz SLXYMPMOADYQEO-UHFFFAOYSA-N 1 1 305.418 3.326 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)c(O)c1 ZINC000825104179 628728032 /nfs/dbraw/zinc/72/80/32/628728032.db2.gz QEQXVQFTPDDVNC-IRXDYDNUSA-N 1 1 305.418 3.180 20 10 DGCDMO COCC[N@@H+](Cc1ccccn1)Cc1cc(Cl)c(C)cc1O ZINC000825903949 628809212 /nfs/dbraw/zinc/80/92/12/628809212.db2.gz YAUHTPTXQWCWGG-UHFFFAOYSA-N 1 1 320.820 3.398 20 10 DGCDMO 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JYSGVXIFFVVARW-CIHFUWIRSA-N 1 1 302.462 3.391 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000835055537 629838454 /nfs/dbraw/zinc/83/84/54/629838454.db2.gz VTRLDFCJBBDASF-IDXCZYJWSA-N 1 1 314.473 3.391 20 10 DGCDMO CC[C@@H]1C[N@@H+](CC)CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835054959 629838514 /nfs/dbraw/zinc/83/85/14/629838514.db2.gz OMMYGPAUZARBMF-LKGOPFMKSA-N 1 1 301.478 3.182 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000835054664 629838728 /nfs/dbraw/zinc/83/87/28/629838728.db2.gz LZCBAWLLDHLVDS-XFHJGTJQSA-N 1 1 302.462 3.249 20 10 DGCDMO CC(C)[N@H+]1CC[C@@H](N(C)C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835054613 629839011 /nfs/dbraw/zinc/83/90/11/629839011.db2.gz LOHBLQFXOABURE-LIXSYLKWSA-N 1 1 301.478 3.180 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+](Cc2cnn(C)c2)CC(C)C)c1 ZINC000835077030 629845323 /nfs/dbraw/zinc/84/53/23/629845323.db2.gz NZMVOABWSWBDQE-UHFFFAOYSA-N 1 1 317.433 3.183 20 10 DGCDMO CCCN1CCC([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840894677 630373866 /nfs/dbraw/zinc/37/38/66/630373866.db2.gz RWTVMYJUEQVJQD-KRWDZBQOSA-N 1 1 317.521 3.456 20 10 DGCDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840913422 630377280 /nfs/dbraw/zinc/37/72/80/630377280.db2.gz WBIJECHDHSWVJG-CYBMUJFWSA-N 1 1 324.852 3.092 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000840917894 630378207 /nfs/dbraw/zinc/37/82/07/630378207.db2.gz UZBVNRYOTIMIJH-SFHVURJKSA-N 1 1 315.505 3.369 20 10 DGCDMO Cc1cc(N(C)C)ccc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000840917894 630378209 /nfs/dbraw/zinc/37/82/09/630378209.db2.gz UZBVNRYOTIMIJH-SFHVURJKSA-N 1 1 315.505 3.369 20 10 DGCDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N(C)C)cc1C ZINC000840920133 630378734 /nfs/dbraw/zinc/37/87/34/630378734.db2.gz CHNIYGSNYQGMDN-MJGOQNOKSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000840934364 630380175 /nfs/dbraw/zinc/38/01/75/630380175.db2.gz POGZPESIJOQJKK-QGZVFWFLSA-N 1 1 320.383 3.162 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1nc(-c2ccccc2)no1 ZINC000840940267 630381286 /nfs/dbraw/zinc/38/12/86/630381286.db2.gz YCUMRZDORLFQGN-UHFFFAOYSA-N 1 1 322.412 3.401 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000840946073 630381915 /nfs/dbraw/zinc/38/19/15/630381915.db2.gz DZOYMFDQMNHWLS-ROUUACIJSA-N 1 1 302.462 3.450 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](N2CCCC2)[C@H]1C ZINC000840946582 630381943 /nfs/dbraw/zinc/38/19/43/630381943.db2.gz SFHULAKCPOXEOA-APWZRJJASA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](N2CCCC2)[C@H]1C ZINC000840946582 630381945 /nfs/dbraw/zinc/38/19/45/630381945.db2.gz SFHULAKCPOXEOA-APWZRJJASA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000840951066 630383674 /nfs/dbraw/zinc/38/36/74/630383674.db2.gz XZSINFLFPXVLMJ-FQEVSTJZSA-N 1 1 312.457 3.096 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000840956126 630385449 /nfs/dbraw/zinc/38/54/49/630385449.db2.gz DDPXPRVMJYXPHP-AEFFLSMTSA-N 1 1 313.397 3.099 20 10 DGCDMO CC(C)[C@@H]([NH3+])CNCc1ccc(OCc2ccccc2)cc1O ZINC000841030924 630398073 /nfs/dbraw/zinc/39/80/73/630398073.db2.gz PCUMFOAYXNHLQR-SFHVURJKSA-N 1 1 314.429 3.044 20 10 DGCDMO CCN(CC)c1ccc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000841032231 630399241 /nfs/dbraw/zinc/39/92/41/630399241.db2.gz AEQVSWBACUPVFD-GDBMZVCRSA-N 1 1 307.457 3.150 20 10 DGCDMO CCc1ccc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000841042384 630401328 /nfs/dbraw/zinc/40/13/28/630401328.db2.gz JBCHRBZQMKLENE-QGZVFWFLSA-N 1 1 303.475 3.166 20 10 DGCDMO CC1(C)C[NH2+]CC[C@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000841070305 630404173 /nfs/dbraw/zinc/40/41/73/630404173.db2.gz NBMITKTWFWNASP-GOSISDBHSA-N 1 1 301.478 3.155 20 10 DGCDMO CCc1ccccc1[C@@H]([NH3+])CNCc1ccc(N(C)C)c(F)c1 ZINC000841086841 630406247 /nfs/dbraw/zinc/40/62/47/630406247.db2.gz NGLZAARRNNBYHI-SFHVURJKSA-N 1 1 315.436 3.244 20 10 DGCDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841299453 630424979 /nfs/dbraw/zinc/42/49/79/630424979.db2.gz DNZJDSOALLBMBI-MRXNPFEDSA-N 1 1 304.438 3.045 20 10 DGCDMO C[N@@H+](CCCNC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000841302263 630425431 /nfs/dbraw/zinc/42/54/31/630425431.db2.gz RNCAGJVNEMKJBV-UHFFFAOYSA-N 1 1 304.438 3.045 20 10 DGCDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(N)cc1 ZINC000841301891 630425627 /nfs/dbraw/zinc/42/56/27/630425627.db2.gz HQUSJZPDLMMSKJ-AWEZNQCLSA-N 1 1 304.438 3.045 20 10 DGCDMO C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(Cl)cc1O ZINC000841756862 630462984 /nfs/dbraw/zinc/46/29/84/630462984.db2.gz CTOBWSCSYYYTDE-NWDGAFQWSA-N 1 1 309.793 3.140 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](CCOCC3CCC3)CC2)cc1 ZINC000842148477 630498987 /nfs/dbraw/zinc/49/89/87/630498987.db2.gz FUKJTFLCUZGWRQ-UHFFFAOYSA-N 1 1 318.461 3.024 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000842624342 630554687 /nfs/dbraw/zinc/55/46/87/630554687.db2.gz YSRVXRSWAJHYBZ-INIZCTEOSA-N 1 1 305.381 3.325 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CC2(CCCC2)O1 ZINC000842644657 630557415 /nfs/dbraw/zinc/55/74/15/630557415.db2.gz HBXXMIJJAALQPY-AWEZNQCLSA-N 1 1 312.413 3.474 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCS[C@@H]2C)c1 ZINC000842778893 630575400 /nfs/dbraw/zinc/57/54/00/630575400.db2.gz ONDFGJYDJFBRCC-BXKDBHETSA-N 1 1 316.264 3.447 20 10 DGCDMO CCN(CC)c1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000843044783 630607529 /nfs/dbraw/zinc/60/75/29/630607529.db2.gz JFTAFKNSBIQHNR-AZUAARDMSA-N 1 1 315.505 3.497 20 10 DGCDMO CCN(CC)c1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000843046955 630608074 /nfs/dbraw/zinc/60/80/74/630608074.db2.gz IRXMZJZFBKNAOG-JJTKIYQPSA-N 1 1 301.478 3.248 20 10 DGCDMO Cc1cc(Cl)cc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1O ZINC000843046036 630608298 /nfs/dbraw/zinc/60/82/98/630608298.db2.gz SVEAFAOLWJJPQA-XJKSGUPXSA-N 1 1 308.853 3.318 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000843117388 630615964 /nfs/dbraw/zinc/61/59/64/630615964.db2.gz PCQQJIAXSKEFPG-LJQANCHMSA-N 1 1 301.478 3.108 20 10 DGCDMO C[N@@H+](Cc1c(O)cccc1Cl)C[C@]1(O)CCc2ccccc21 ZINC000843422148 630656376 /nfs/dbraw/zinc/65/63/76/630656376.db2.gz VDFSVIBIWGSFBF-GOSISDBHSA-N 1 1 317.816 3.311 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1O ZINC000843431556 630658156 /nfs/dbraw/zinc/65/81/56/630658156.db2.gz HNWVOSYLMZQDRB-CQSZACIVSA-N 1 1 305.418 3.182 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c1O ZINC000843431555 630658338 /nfs/dbraw/zinc/65/83/38/630658338.db2.gz HNWVOSYLMZQDRB-AWEZNQCLSA-N 1 1 305.418 3.182 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c1 ZINC000843435897 630658870 /nfs/dbraw/zinc/65/88/70/630658870.db2.gz ZQQHQJUDNOQJFK-CQSZACIVSA-N 1 1 305.418 3.324 20 10 DGCDMO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000844404776 630725042 /nfs/dbraw/zinc/72/50/42/630725042.db2.gz HCKBTFHJOOGHJR-HUUCEWRRSA-N 1 1 311.809 3.295 20 10 DGCDMO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000844759040 630845452 /nfs/dbraw/zinc/84/54/52/630845452.db2.gz OZCNTXOBGSUWLL-CQSZACIVSA-N 1 1 323.433 3.261 20 10 DGCDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000844759040 630845456 /nfs/dbraw/zinc/84/54/56/630845456.db2.gz OZCNTXOBGSUWLL-CQSZACIVSA-N 1 1 323.433 3.261 20 10 DGCDMO CCN(CC)c1ccc(CNCc2ccc(C[NH3+])cc2F)cc1 ZINC000844905408 630972987 /nfs/dbraw/zinc/97/29/87/630972987.db2.gz YZUIHTWTXLWIGB-UHFFFAOYSA-N 1 1 315.436 3.420 20 10 DGCDMO COc1cccc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)OC(C)(C)C)c1O ZINC000846005750 631205193 /nfs/dbraw/zinc/20/51/93/631205193.db2.gz GSWAZJIWRXLXDA-JSGCOSHPSA-N 1 1 321.417 3.095 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](Cc2cnn(CC)c2)C(C)C)c1 ZINC000846054953 631208443 /nfs/dbraw/zinc/20/84/43/631208443.db2.gz ICVLILMQZYGDNB-UHFFFAOYSA-N 1 1 317.433 3.418 20 10 DGCDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846118178 631210785 /nfs/dbraw/zinc/21/07/85/631210785.db2.gz UZXPNFZBMBDMQP-LBPRGKRZSA-N 1 1 318.161 3.386 20 10 DGCDMO Oc1c(Br)cccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846118178 631210786 /nfs/dbraw/zinc/21/07/86/631210786.db2.gz UZXPNFZBMBDMQP-LBPRGKRZSA-N 1 1 318.161 3.386 20 10 DGCDMO COc1cccc([C@H](C)NCC[N@H+](C)C2CCCCC2)c1O ZINC000846142121 631211655 /nfs/dbraw/zinc/21/16/55/631211655.db2.gz BZNWETJOQCDBIF-AWEZNQCLSA-N 1 1 306.450 3.316 20 10 DGCDMO COc1cccc([C@H](C)NCC[N@@H+](C)C2CCCCC2)c1O ZINC000846142121 631211657 /nfs/dbraw/zinc/21/16/57/631211657.db2.gz BZNWETJOQCDBIF-AWEZNQCLSA-N 1 1 306.450 3.316 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1[O-] ZINC000846226379 631215808 /nfs/dbraw/zinc/21/58/08/631215808.db2.gz LSUNYZQWXQGEQJ-ZBEGNZNMSA-N 1 1 324.852 3.198 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1[O-] ZINC000846226379 631215809 /nfs/dbraw/zinc/21/58/09/631215809.db2.gz LSUNYZQWXQGEQJ-ZBEGNZNMSA-N 1 1 324.852 3.198 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1[O-] ZINC000846226378 631215878 /nfs/dbraw/zinc/21/58/78/631215878.db2.gz LSUNYZQWXQGEQJ-MEDUHNTESA-N 1 1 324.852 3.198 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1[O-] ZINC000846226378 631215879 /nfs/dbraw/zinc/21/58/79/631215879.db2.gz LSUNYZQWXQGEQJ-MEDUHNTESA-N 1 1 324.852 3.198 20 10 DGCDMO CCc1cccc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)c1O ZINC000848890609 631774668 /nfs/dbraw/zinc/77/46/68/631774668.db2.gz SPKPTSNYFDHROO-GFCCVEGCSA-N 1 1 316.367 3.023 20 10 DGCDMO CCc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O ZINC000848915829 631785186 /nfs/dbraw/zinc/78/51/86/631785186.db2.gz MKJKXHXPXCVEFO-KSZLIROESA-N 1 1 303.446 3.470 20 10 DGCDMO CCc1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1O ZINC000848913628 631785811 /nfs/dbraw/zinc/78/58/11/631785811.db2.gz CTSZUIJNZJHBEK-GOSISDBHSA-N 1 1 301.430 3.346 20 10 DGCDMO CCn1cc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)nn1 ZINC000850522174 632177955 /nfs/dbraw/zinc/17/79/55/632177955.db2.gz GNDHBTKEIYXVGH-HNNXBMFYSA-N 1 1 313.449 3.139 20 10 DGCDMO C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cc(F)cc(F)c1O ZINC000850533011 632183517 /nfs/dbraw/zinc/18/35/17/632183517.db2.gz QXJBZCQWGQUDTO-PELMWDNLSA-N 1 1 319.298 3.135 20 10 DGCDMO C[C@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1ccc(F)cc1O ZINC000850537425 632185745 /nfs/dbraw/zinc/18/57/45/632185745.db2.gz QSWGTAZXLZJTME-HZMBPMFUSA-N 1 1 305.324 3.325 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1O ZINC000850545596 632188261 /nfs/dbraw/zinc/18/82/61/632188261.db2.gz QILOCBJKGJJWDP-PWSUYJOCSA-N 1 1 317.351 3.470 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1ccc(F)cc1O ZINC000850573482 632199206 /nfs/dbraw/zinc/19/92/06/632199206.db2.gz MQUJONXAZGUTOW-ZJNRKIDTSA-N 1 1 303.377 3.347 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1COC(C)(C)O1 ZINC000851716497 632472993 /nfs/dbraw/zinc/47/29/93/632472993.db2.gz NKWWIZNMCUEQRB-SFHVURJKSA-N 1 1 318.461 3.260 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1COC(C)(C)O1 ZINC000851716496 632473217 /nfs/dbraw/zinc/47/32/17/632473217.db2.gz NKWWIZNMCUEQRB-GOSISDBHSA-N 1 1 318.461 3.260 20 10 DGCDMO CO[C@H](C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C)[C@@H]1CCOC1 ZINC000851732050 632478229 /nfs/dbraw/zinc/47/82/29/632478229.db2.gz HZOMSLWGGLHQIQ-IEBWSBKVSA-N 1 1 320.477 3.015 20 10 DGCDMO Oc1ccccc1C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@@H]1CCCO1 ZINC000851841370 632506822 /nfs/dbraw/zinc/50/68/22/632506822.db2.gz PUKGCEFSOLFVSS-RANZSIQMSA-N 1 1 301.430 3.419 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cc2c(cc1O)CCCC2 ZINC000185404193 660221484 /nfs/dbraw/zinc/22/14/84/660221484.db2.gz IHJHDYDQWAYAPQ-HUUCEWRRSA-N 1 1 302.462 3.263 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(F)cc1O ZINC000186094689 660266176 /nfs/dbraw/zinc/26/61/76/660266176.db2.gz YBUVGPXLCIWQDP-FIKIJFGZSA-N 1 1 307.390 3.120 20 10 DGCDMO COC(C)(C)C[N@@H+](C)Cc1c(O)cccc1Br ZINC000707142142 660887513 /nfs/dbraw/zinc/88/75/13/660887513.db2.gz GJGOJRMFUNBVAK-UHFFFAOYSA-N 1 1 302.212 3.012 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2CCO)c(C(F)(F)F)c1 ZINC000793093606 661004665 /nfs/dbraw/zinc/00/46/65/661004665.db2.gz PUERVQUZYZELOU-ZDUSSCGKSA-N 1 1 316.367 3.118 20 10 DGCDMO CCOCc1cc(C[NH2+]Cc2cccnc2F)ccc1OC ZINC000793283913 661021301 /nfs/dbraw/zinc/02/13/01/661021301.db2.gz BIVRRRQFIDEGAH-UHFFFAOYSA-N 1 1 304.365 3.056 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H](C2CC2)O1 ZINC000794661319 661096790 /nfs/dbraw/zinc/09/67/90/661096790.db2.gz ZCRXWSVQQYBNAG-DJJJIMSYSA-N 1 1 301.430 3.270 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1C(C)C ZINC000794661302 661097184 /nfs/dbraw/zinc/09/71/84/661097184.db2.gz HDJYCBQYZMVQGV-DNVCBOLYSA-N 1 1 319.445 3.204 20 10 DGCDMO CCCC[N@@H+](CCc1cnn(CC)c1)Cc1ccccc1O ZINC000794580803 661092149 /nfs/dbraw/zinc/09/21/49/661092149.db2.gz FFAPVFRZFJUYNN-UHFFFAOYSA-N 1 1 301.434 3.453 20 10 DGCDMO Cc1ncccc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160200981 655526037 /nfs/dbraw/zinc/52/60/37/655526037.db2.gz ASXJYHAZSNUDJY-SFHVURJKSA-N 1 1 312.413 3.277 20 10 DGCDMO CC(C)CCOCC[NH2+]Cc1cccc(Br)c1O ZINC000045094408 655624605 /nfs/dbraw/zinc/62/46/05/655624605.db2.gz URUIXDGXBUGDRN-UHFFFAOYSA-N 1 1 316.239 3.307 20 10 DGCDMO Cc1cc(O)c(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cc1C ZINC000176068451 655731088 /nfs/dbraw/zinc/73/10/88/655731088.db2.gz LARQRAXNVMMICU-ZDUSSCGKSA-N 1 1 316.367 3.077 20 10 DGCDMO CCCC[N@@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000158151149 655774718 /nfs/dbraw/zinc/77/47/18/655774718.db2.gz WGHUMUSZOYTXNQ-UHFFFAOYSA-N 1 1 302.212 3.395 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CC1(O)CCCC1 ZINC000176954905 655884219 /nfs/dbraw/zinc/88/42/19/655884219.db2.gz CXLPYEVMLIEJMV-UHFFFAOYSA-N 1 1 302.462 3.414 20 10 DGCDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180253100 656091998 /nfs/dbraw/zinc/09/19/98/656091998.db2.gz PPLWDIJIROWFRF-IPQOISQHSA-N 1 1 321.417 3.462 20 10 DGCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1OC ZINC000181402837 656098783 /nfs/dbraw/zinc/09/87/83/656098783.db2.gz JBJFYXSHUBABNA-CFVMTHIKSA-N 1 1 305.418 3.420 20 10 DGCDMO Cc1occc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000092438594 656153730 /nfs/dbraw/zinc/15/37/30/656153730.db2.gz FRFDJTVXBMDSRC-UHFFFAOYSA-N 1 1 300.402 3.057 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000236973825 657027371 /nfs/dbraw/zinc/02/73/71/657027371.db2.gz HRRIENRDMWBKFM-MOPGFXCFSA-N 1 1 301.478 3.249 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000236973825 657027382 /nfs/dbraw/zinc/02/73/82/657027382.db2.gz HRRIENRDMWBKFM-MOPGFXCFSA-N 1 1 301.478 3.249 20 10 DGCDMO COc1ccc2c(c1)C[N@H+](Cc1cc(C)cc(OC)c1O)CC2 ZINC000178866855 657093581 /nfs/dbraw/zinc/09/35/81/657093581.db2.gz OSJZQIBYJPEBLE-UHFFFAOYSA-N 1 1 313.397 3.276 20 10 DGCDMO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000007360922 657501232 /nfs/dbraw/zinc/50/12/32/657501232.db2.gz FKJCVUGDIZWKRO-UHFFFAOYSA-N 1 1 311.429 3.132 20 10 DGCDMO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000007360922 657501243 /nfs/dbraw/zinc/50/12/43/657501243.db2.gz FKJCVUGDIZWKRO-UHFFFAOYSA-N 1 1 311.429 3.132 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H]3C[C@H](C)O)c2c1 ZINC000305274160 657699656 /nfs/dbraw/zinc/69/96/56/657699656.db2.gz ZRMUCZXKQQXOJR-ZFWWWQNUSA-N 1 1 315.413 3.289 20 10 DGCDMO C[C@@H]([NH2+]Cc1cccc(Br)c1O)c1cccnc1 ZINC000042411780 658772505 /nfs/dbraw/zinc/77/25/05/658772505.db2.gz WYVUQCLNZKUDAS-SNVBAGLBSA-N 1 1 307.191 3.401 20 10 DGCDMO CCOc1cccc(CNC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1O ZINC000058066193 659049765 /nfs/dbraw/zinc/04/97/65/659049765.db2.gz LTAJYMVNPMWJKJ-KXBFYZLASA-N 1 1 320.477 3.391 20 10 DGCDMO C[N@@H+](Cc1cncc(Br)c1)Cc1ccccc1O ZINC000171937744 659307325 /nfs/dbraw/zinc/30/73/25/659307325.db2.gz OKYPRGUGUVTONU-UHFFFAOYSA-N 1 1 307.191 3.182 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](Cc3ccccc3)C1)OCO2 ZINC000172916064 659365711 /nfs/dbraw/zinc/36/57/11/659365711.db2.gz AIGXYBYJOLKLHS-HNNXBMFYSA-N 1 1 311.381 3.186 20 10 DGCDMO CCC[N@@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)Cc1ccccc1O ZINC000174372382 659429834 /nfs/dbraw/zinc/42/98/34/659429834.db2.gz SEXOQRJURNCEKB-IYBDPMFKSA-N 1 1 318.461 3.394 20 10 DGCDMO CC[N@H+](Cc1cc(F)ccc1O)C[C@@H](O)c1ccc(C)cc1 ZINC000180195815 659955392 /nfs/dbraw/zinc/95/53/92/659955392.db2.gz PHZKVPWULMVWKX-GOSISDBHSA-N 1 1 303.377 3.395 20 10 DGCDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000180205646 659956067 /nfs/dbraw/zinc/95/60/67/659956067.db2.gz DELLYVUOTSLPJX-QGZVFWFLSA-N 1 1 303.377 3.304 20 10 DGCDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000180776912 659970439 /nfs/dbraw/zinc/97/04/39/659970439.db2.gz OMZAZBNOQRETEN-OAHLLOKOSA-N 1 1 305.418 3.256 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2nccn2C)cc1F ZINC000182918774 660090724 /nfs/dbraw/zinc/09/07/24/660090724.db2.gz KGVZPBBRMUZPGS-ZDUSSCGKSA-N 1 1 304.413 3.256 20 10 DGCDMO Cc1cccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1O ZINC000183209961 660104564 /nfs/dbraw/zinc/10/45/64/660104564.db2.gz DYOMLPRECVZRFY-QGZVFWFLSA-N 1 1 301.361 3.493 20 10 DGCDMO CC(=O)NCCCCC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000929296138 661295251 /nfs/dbraw/zinc/29/52/51/661295251.db2.gz OGYHWYPWRKIVRM-UHFFFAOYSA-N 1 1 319.493 3.269 20 10 DGCDMO CCn1cc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)nn1 ZINC000929634374 661323131 /nfs/dbraw/zinc/32/31/31/661323131.db2.gz XHALHBBDIUCQJI-UHFFFAOYSA-N 1 1 314.433 3.339 20 10 DGCDMO Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCC=CO1 ZINC000193605386 662141635 /nfs/dbraw/zinc/14/16/35/662141635.db2.gz AENZKKSRNXWOJH-IRXDYDNUSA-N 1 1 303.402 3.066 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)CCOCc2ccccc2)c1O ZINC000091937021 662324988 /nfs/dbraw/zinc/32/49/88/662324988.db2.gz TWAJSZTYTCCGEV-UHFFFAOYSA-N 1 1 315.413 3.440 20 10 DGCDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC000092067586 662327583 /nfs/dbraw/zinc/32/75/83/662327583.db2.gz PIWCZGWRSOFNTQ-IBGZPJMESA-N 1 1 320.477 3.160 20 10 DGCDMO COc1ccc(CCC[N@@H+](C)Cc2cccc(OC)c2O)cc1 ZINC000092163791 662327908 /nfs/dbraw/zinc/32/79/08/662327908.db2.gz GEHJWFJZPITQRT-UHFFFAOYSA-N 1 1 315.413 3.474 20 10 DGCDMO COc1ccc(O)c([C@@H](C)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000248531603 662352029 /nfs/dbraw/zinc/35/20/29/662352029.db2.gz PBBMCDCJHNLBLE-HUUCEWRRSA-N 1 1 306.450 3.316 20 10 DGCDMO COc1ccc(O)c([C@@H](C)NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000248531603 662352032 /nfs/dbraw/zinc/35/20/32/662352032.db2.gz PBBMCDCJHNLBLE-HUUCEWRRSA-N 1 1 306.450 3.316 20 10 DGCDMO Fc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)ccc1N1CCOCC1 ZINC000093441990 662354622 /nfs/dbraw/zinc/35/46/22/662354622.db2.gz CZJQKXNOEZGHHU-CALCHBBNSA-N 1 1 318.436 3.284 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000093645257 662358099 /nfs/dbraw/zinc/35/80/99/662358099.db2.gz JWBGAPRFTYGPAT-LJQANCHMSA-N 1 1 300.446 3.288 20 10 DGCDMO CCc1c[nH]c2nc[nH+]c(N[C@H](C)c3cc(OC)ccc3O)c12 ZINC000892331638 685303301 /nfs/dbraw/zinc/30/33/01/685303301.db2.gz XZVUZAGUQUOBSQ-SNVBAGLBSA-N 1 1 312.373 3.408 20 10 DGCDMO CC[C@H](C)[C@@H](C[NH2+]Cc1cccc(Br)c1O)OC ZINC000381108991 685154775 /nfs/dbraw/zinc/15/47/75/685154775.db2.gz BUAICGQWJJMSQK-GXFFZTMASA-N 1 1 316.239 3.305 20 10 DGCDMO COCCCC[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000397193570 685229853 /nfs/dbraw/zinc/22/98/53/685229853.db2.gz MIESHEQDFBCLNK-UHFFFAOYSA-N 1 1 316.239 3.322 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc3[nH]ccc3c2)cc1 ZINC001578424775 1191942833 /nfs/dbraw/zinc/94/28/33/1191942833.db2.gz VGNTZLWHAZDCJK-GOSISDBHSA-N 1 1 308.429 3.024 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC001620801409 1192083214 /nfs/dbraw/zinc/08/32/14/1192083214.db2.gz BMYJACVJAIACOZ-OAHLLOKOSA-N 1 1 318.367 3.429 20 10 DGCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)c(C)cc1O ZINC001663641611 1196919964 /nfs/dbraw/zinc/91/99/64/1196919964.db2.gz SCTWTVIDRCCKJJ-CABCVRRESA-N 1 1 308.853 3.413 20 10 DGCDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)c(C)cc1O ZINC001663641611 1196919966 /nfs/dbraw/zinc/91/99/66/1196919966.db2.gz SCTWTVIDRCCKJJ-CABCVRRESA-N 1 1 308.853 3.413 20 10 DGCDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)c(C)cc1O ZINC001663641611 1196919968 /nfs/dbraw/zinc/91/99/68/1196919968.db2.gz SCTWTVIDRCCKJJ-CABCVRRESA-N 1 1 308.853 3.413 20 10 DGCDMO Cc1cc(C[N@@H+]2CCc3ncncc3C2)c(O)c(C(C)(C)C)c1 ZINC001331508338 1178231483 /nfs/dbraw/zinc/23/14/83/1178231483.db2.gz IASBEQYMHIXABI-UHFFFAOYSA-N 1 1 311.429 3.346 20 10 DGCDMO Cc1cc(C[N@H+]2CCc3ncncc3C2)c(O)c(C(C)(C)C)c1 ZINC001331508338 1178231487 /nfs/dbraw/zinc/23/14/87/1178231487.db2.gz IASBEQYMHIXABI-UHFFFAOYSA-N 1 1 311.429 3.346 20 10 DGCDMO Oc1cccc(F)c1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001334319920 1178748578 /nfs/dbraw/zinc/74/85/78/1178748578.db2.gz RKUALHGTIVWHMH-UHFFFAOYSA-N 1 1 300.377 3.421 20 10 DGCDMO CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001341569512 1179029958 /nfs/dbraw/zinc/02/99/58/1179029958.db2.gz PUJKOSAJJVWIOA-SFHVURJKSA-N 1 1 301.478 3.060 20 10 DGCDMO CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001341569512 1179029966 /nfs/dbraw/zinc/02/99/66/1179029966.db2.gz PUJKOSAJJVWIOA-SFHVURJKSA-N 1 1 301.478 3.060 20 10 DGCDMO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001341569512 1179029984 /nfs/dbraw/zinc/02/99/84/1179029984.db2.gz PUJKOSAJJVWIOA-SFHVURJKSA-N 1 1 301.478 3.060 20 10 DGCDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001341569512 1179029992 /nfs/dbraw/zinc/02/99/92/1179029992.db2.gz PUJKOSAJJVWIOA-SFHVURJKSA-N 1 1 301.478 3.060 20 10 DGCDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001343089211 1179232893 /nfs/dbraw/zinc/23/28/93/1179232893.db2.gz KBLJKGQAVWXSGJ-LJQANCHMSA-N 1 1 302.462 3.271 20 10 DGCDMO CO[C@@H]1CC[C@H]([NH2+]Cc2cc(C)cc(Br)c2O)C1 ZINC001343464729 1179280680 /nfs/dbraw/zinc/28/06/80/1179280680.db2.gz QFOALMBNSKIEIM-NWDGAFQWSA-N 1 1 314.223 3.120 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC001344439616 1179434177 /nfs/dbraw/zinc/43/41/77/1179434177.db2.gz WKVJHZFYGMYAEJ-ONFZBDQASA-N 1 1 300.446 3.267 20 10 DGCDMO C[C@]1(C(F)F)C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC001350736004 1180113990 /nfs/dbraw/zinc/11/39/90/1180113990.db2.gz STBACNKAHYLZFB-QGZVFWFLSA-N 1 1 307.340 3.401 20 10 DGCDMO CCCC[N@@H+](Cc1c2c(nn1C)CCC2)Cc1ccccc1O ZINC001352054157 1180288266 /nfs/dbraw/zinc/28/82/66/1180288266.db2.gz JMPHNVXWOJFNSO-UHFFFAOYSA-N 1 1 313.445 3.417 20 10 DGCDMO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC001353197880 1180492044 /nfs/dbraw/zinc/49/20/44/1180492044.db2.gz ATUPIIKJMKDRID-CQSZACIVSA-N 1 1 303.324 3.162 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CCCC3(C)C)cc2)CC1 ZINC001461269682 1182789358 /nfs/dbraw/zinc/78/93/58/1182789358.db2.gz SDUKHJPNLKPBQE-SFHVURJKSA-N 1 1 301.478 3.107 20 10 DGCDMO CCC(C)(C)CC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001461675615 1182840442 /nfs/dbraw/zinc/84/04/42/1182840442.db2.gz JANSFFNHOFCQFK-UHFFFAOYSA-N 1 1 303.494 3.354 20 10 DGCDMO Cn1cc(C[NH2+]Cc2cccc(F)c2O)c(-c2ccccc2)n1 ZINC001462086271 1182906148 /nfs/dbraw/zinc/90/61/48/1182906148.db2.gz POWCFNGVHOIDFU-UHFFFAOYSA-N 1 1 311.360 3.222 20 10 DGCDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)C12CCC2 ZINC001462251941 1182928839 /nfs/dbraw/zinc/92/88/39/1182928839.db2.gz ANFIAJULEGGNKH-IAGOWNOFSA-N 1 1 324.415 3.420 20 10 DGCDMO C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001462463395 1182956887 /nfs/dbraw/zinc/95/68/87/1182956887.db2.gz VBQKJLZCGOHQJM-MLGOLLRUSA-N 1 1 312.404 3.223 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)ccc1N(C)C ZINC001473737494 1183795865 /nfs/dbraw/zinc/79/58/65/1183795865.db2.gz KRYFRZGGVIJHGU-WDSOQIARSA-N 1 1 302.462 3.186 20 10 DGCDMO CCN(CC)c1ccc(CNCC[N@@H+]2CCC[C@H](C)C2)cc1F ZINC001473931131 1183831619 /nfs/dbraw/zinc/83/16/19/1183831619.db2.gz FJKLXWHZTFWNNN-INIZCTEOSA-N 1 1 321.484 3.493 20 10 DGCDMO CCN(CC)c1ccc(CNCC[N@H+]2CCC[C@H](C)C2)cc1F ZINC001473931131 1183831623 /nfs/dbraw/zinc/83/16/23/1183831623.db2.gz FJKLXWHZTFWNNN-INIZCTEOSA-N 1 1 321.484 3.493 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCc3ccccc3[C@H]2CO)cc1Cl ZINC001474328775 1183904809 /nfs/dbraw/zinc/90/48/09/1183904809.db2.gz RJZTVNBSZJZONH-QGZVFWFLSA-N 1 1 317.816 3.446 20 10 DGCDMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001474362554 1183910413 /nfs/dbraw/zinc/91/04/13/1183910413.db2.gz STATYSADUCZLQA-LBPRGKRZSA-N 1 1 307.781 3.117 20 10 DGCDMO CCOC(=O)CC[N@@H+](Cc1cc(C(C)C)ccc1O)C1CC1 ZINC001474378893 1183911746 /nfs/dbraw/zinc/91/17/46/1183911746.db2.gz LYHYGNOYVWUBPR-UHFFFAOYSA-N 1 1 305.418 3.433 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)CC2Cc3ccccc3C2)cc1 ZINC001474612358 1183950240 /nfs/dbraw/zinc/95/02/40/1183950240.db2.gz GSPVXFRFOMTXJN-UHFFFAOYSA-N 1 1 324.468 3.478 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001559966675 1189263827 /nfs/dbraw/zinc/26/38/27/1189263827.db2.gz HYFAQTUETGAQGU-FVQHAEBGSA-N 1 1 320.477 3.267 20 10 DGCDMO Cc1cc(C[N@@H+](C)C[C@]23CCC[C@H]2OCC3)ccc1N(C)C ZINC001560235750 1189295354 /nfs/dbraw/zinc/29/53/54/1189295354.db2.gz UNZYLSHVUDKVAY-RTBURBONSA-N 1 1 302.462 3.452 20 10 DGCDMO C[NH+]1CCN(c2ccc(CNc3ccc(F)cc3)cc2F)CC1 ZINC001560278158 1189304202 /nfs/dbraw/zinc/30/42/02/1189304202.db2.gz BVECFPUZBNYEOT-UHFFFAOYSA-N 1 1 317.383 3.329 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC001560671118 1189357771 /nfs/dbraw/zinc/35/77/71/1189357771.db2.gz SNIUBYAPODOCQA-WBMJQRKESA-N 1 1 323.339 3.352 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC001560671118 1189357775 /nfs/dbraw/zinc/35/77/75/1189357775.db2.gz SNIUBYAPODOCQA-WBMJQRKESA-N 1 1 323.339 3.352 20 10 DGCDMO Cc1csc(N2CC[NH+](Cc3ccc(Cl)cc3O)CC2)n1 ZINC001560673397 1189358147 /nfs/dbraw/zinc/35/81/47/1189358147.db2.gz OMJDTXZWCDCEBK-UHFFFAOYSA-N 1 1 323.849 3.133 20 10 DGCDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(F)c(F)cc1[O-] ZINC001560825264 1189388756 /nfs/dbraw/zinc/38/87/56/1189388756.db2.gz HCWDQNRQMSHULQ-UHFFFAOYSA-N 1 1 322.311 3.253 20 10 DGCDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(F)c(F)cc1O ZINC001560825264 1189388759 /nfs/dbraw/zinc/38/87/59/1189388759.db2.gz HCWDQNRQMSHULQ-UHFFFAOYSA-N 1 1 322.311 3.253 20 10 DGCDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(F)c(F)cc1O ZINC001560825264 1189388764 /nfs/dbraw/zinc/38/87/64/1189388764.db2.gz HCWDQNRQMSHULQ-UHFFFAOYSA-N 1 1 322.311 3.253 20 10 DGCDMO COC(=O)[C@@]1(C)CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001560891526 1189401040 /nfs/dbraw/zinc/40/10/40/1189401040.db2.gz MZKQHGRROMSLRT-XZXOBPBMSA-N 1 1 316.445 3.041 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4CCC[C@H]34)cc2)CC1 ZINC001560987743 1189416596 /nfs/dbraw/zinc/41/65/96/1189416596.db2.gz WJMNXNXHZTZUSB-YSIASYRMSA-N 1 1 313.489 3.107 20 10 DGCDMO CCOC(=O)[C@]12CCC[C@H]1C[C@@H]([NH2+]Cc1c(O)cccc1F)C2 ZINC001561016007 1189420706 /nfs/dbraw/zinc/42/07/06/1189420706.db2.gz MKEBYOSQOANZGM-JCGVRSQUSA-N 1 1 321.392 3.133 20 10 DGCDMO Cc1csc(C[C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001561020805 1189421260 /nfs/dbraw/zinc/42/12/60/1189421260.db2.gz RGHSKHIZKWABLN-NSHDSACASA-N 1 1 324.396 3.500 20 10 DGCDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001561020805 1189421263 /nfs/dbraw/zinc/42/12/63/1189421263.db2.gz RGHSKHIZKWABLN-NSHDSACASA-N 1 1 324.396 3.500 20 10 DGCDMO Cc1ccnc(C2CC[NH+](Cc3cc(F)c(F)cc3O)CC2)n1 ZINC001561037062 1189424742 /nfs/dbraw/zinc/42/47/42/1189424742.db2.gz UUYBPOPJCXETPA-UHFFFAOYSA-N 1 1 319.355 3.148 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CC[C@H](C)[C@H]2C)c2cc(F)ccc2n1C ZINC001621136600 1193807129 /nfs/dbraw/zinc/80/71/29/1193807129.db2.gz VXYDQCVYGQTPKA-NWDGAFQWSA-N 1 1 318.392 3.334 20 10 DGCDMO CCc1cccc(C[N@@H+](C)[C@H]2CCN(c3ccccc3)C2=O)c1O ZINC001621172767 1193812703 /nfs/dbraw/zinc/81/27/03/1193812703.db2.gz XEBQNOGPBBULSI-SFHVURJKSA-N 1 1 324.424 3.192 20 10 DGCDMO CC(C)(O)c1ccc(C[NH2+]Cc2cc(F)c(F)cc2O)cc1 ZINC001621262826 1193824383 /nfs/dbraw/zinc/82/43/83/1193824383.db2.gz HLUMPTGKZAPTNB-UHFFFAOYSA-N 1 1 307.340 3.188 20 10 DGCDMO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2cc(F)c(F)cc2O)cc1 ZINC001621411039 1193839509 /nfs/dbraw/zinc/83/95/09/1193839509.db2.gz PGVXTAMNYJHCCO-APPDUMDISA-N 1 1 307.340 3.191 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H](CO)Cc2ccccc2)cc1 ZINC001643796523 1195054777 /nfs/dbraw/zinc/05/47/77/1195054777.db2.gz OKMGPVABJIIMGD-HXUWFJFHSA-N 1 1 312.457 3.178 20 10 DGCDMO COc1ccc(N(C)C[C@H]2CCCC[N@H+]2C(C)C)cc1OC ZINC001644464662 1195110733 /nfs/dbraw/zinc/11/07/33/1195110733.db2.gz UQXUPSQPRQKBDC-MRXNPFEDSA-N 1 1 306.450 3.403 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCN(C)[C@@H](C(C)(C)C)C2)cc1 ZINC001646537140 1195233027 /nfs/dbraw/zinc/23/30/27/1195233027.db2.gz SVQAKZYVNUVBFT-GOSISDBHSA-N 1 1 303.494 3.305 20 10 DGCDMO CCN(C)c1ccc(CN2CC[N@H+](C)[C@@H](C(C)(C)C)C2)cc1 ZINC001646537140 1195233030 /nfs/dbraw/zinc/23/30/30/1195233030.db2.gz SVQAKZYVNUVBFT-GOSISDBHSA-N 1 1 303.494 3.305 20 10 DGCDMO CCN(C)c1ccc(CN2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)cc1 ZINC001646537140 1195233034 /nfs/dbraw/zinc/23/30/34/1195233034.db2.gz SVQAKZYVNUVBFT-GOSISDBHSA-N 1 1 303.494 3.305 20 10 DGCDMO O=C(NCc1c(O)ccc2ccccc21)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001647794932 1195253979 /nfs/dbraw/zinc/25/39/79/1195253979.db2.gz USUAYJIPOJFESX-MAUKXSAKSA-N 1 1 324.424 3.179 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1nc(-c2cccnc2)no1 ZINC001648054287 1195274045 /nfs/dbraw/zinc/27/40/45/1195274045.db2.gz TUGPMXJSURWFLU-NWDGAFQWSA-N 1 1 310.357 3.249 20 10 DGCDMO Cc1csc2nc(C)c(C[N@H+](C)Cc3ccccc3O)n12 ZINC001651956374 1195527995 /nfs/dbraw/zinc/52/79/95/1195527995.db2.gz MZIXLIPMRIQDFE-UHFFFAOYSA-N 1 1 301.415 3.350 20 10 DGCDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2O)cc1 ZINC001652107346 1195549440 /nfs/dbraw/zinc/54/94/40/1195549440.db2.gz DLPCLWRGYOCREU-UHFFFAOYSA-N 1 1 318.804 3.037 20 10 DGCDMO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)C(C)C ZINC001652500219 1195607360 /nfs/dbraw/zinc/60/73/60/1195607360.db2.gz SZGCUUHUSVIGQG-LRDDRELGSA-N 1 1 301.377 3.049 20 10 DGCDMO OCC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1CCCC1 ZINC001653162333 1195694069 /nfs/dbraw/zinc/69/40/69/1195694069.db2.gz SEJDRIWDGVEIFM-CQSZACIVSA-N 1 1 301.789 3.216 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CCCC(C)(C)O2)cc1 ZINC001654114821 1195776015 /nfs/dbraw/zinc/77/60/15/1195776015.db2.gz RLJDCDHOLDPGBB-SFHVURJKSA-N 1 1 320.477 3.411 20 10 DGCDMO Cc1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c(C)c1 ZINC001655320677 1195903143 /nfs/dbraw/zinc/90/31/43/1195903143.db2.gz VXWLYICPBJZDFZ-UHFFFAOYSA-N 1 1 323.484 3.345 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1 ZINC001655401475 1195913241 /nfs/dbraw/zinc/91/32/41/1195913241.db2.gz ZQHFDCXONAMVLD-OTWHNJEPSA-N 1 1 302.462 3.268 20 10 DGCDMO C[C@H]1CCC[N@H+](CCNCc2ccc(N3CCCC3)cc2)C1 ZINC001656044954 1195991518 /nfs/dbraw/zinc/99/15/18/1195991518.db2.gz SSDJFOIDNKHUES-KRWDZBQOSA-N 1 1 301.478 3.108 20 10 DGCDMO C[C@H]1CCC[N@@H+](CCNCc2ccc(N3CCCC3)cc2)C1 ZINC001656044954 1195991520 /nfs/dbraw/zinc/99/15/20/1195991520.db2.gz SSDJFOIDNKHUES-KRWDZBQOSA-N 1 1 301.478 3.108 20 10 DGCDMO CCC[N@@H+](CC)C[C@@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC001656340747 1196031594 /nfs/dbraw/zinc/03/15/94/1196031594.db2.gz DXYCZOYXCBCSEH-KBOKABMXSA-N 1 1 303.494 3.476 20 10 DGCDMO CCCN(CC)C[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001656340747 1196031597 /nfs/dbraw/zinc/03/15/97/1196031597.db2.gz DXYCZOYXCBCSEH-KBOKABMXSA-N 1 1 303.494 3.476 20 10 DGCDMO CC[N@@H+]1CCCC[C@@H]1CNC/C=C\c1ccc(N(C)C)cc1 ZINC001656461656 1196042643 /nfs/dbraw/zinc/04/26/43/1196042643.db2.gz CAUSMQDGXWQZDD-QULHZPMSSA-N 1 1 301.478 3.230 20 10 DGCDMO CC[N@H+]1CCCC[C@@H]1CNC/C=C\c1ccc(N(C)C)cc1 ZINC001656461656 1196042653 /nfs/dbraw/zinc/04/26/53/1196042653.db2.gz CAUSMQDGXWQZDD-QULHZPMSSA-N 1 1 301.478 3.230 20 10 DGCDMO CN(C)c1ccc(CN[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1F ZINC001656641075 1196057583 /nfs/dbraw/zinc/05/75/83/1196057583.db2.gz BDNFOKPFIXIXCG-KRWDZBQOSA-N 1 1 319.468 3.246 20 10 DGCDMO CN(C)c1ccc(C[NH2+][C@H]2CCN(CC3CCCC3)C2)cc1F ZINC001656641075 1196057585 /nfs/dbraw/zinc/05/75/85/1196057585.db2.gz BDNFOKPFIXIXCG-KRWDZBQOSA-N 1 1 319.468 3.246 20 10 DGCDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC001656896126 1196081188 /nfs/dbraw/zinc/08/11/88/1196081188.db2.gz FYYGUJDLHQFKPO-UHFFFAOYSA-N 1 1 318.760 3.473 20 10 DGCDMO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001657156660 1196112318 /nfs/dbraw/zinc/11/23/18/1196112318.db2.gz FIZGAIBLPOCEFV-YRWFTTLQSA-N 1 1 315.505 3.353 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]CC3CCCCCC3)cc2)CC1 ZINC001657370948 1196134785 /nfs/dbraw/zinc/13/47/85/1196134785.db2.gz GOAMBCGHJXCWIT-UHFFFAOYSA-N 1 1 315.505 3.498 20 10 DGCDMO CC[C@@H](C[N@@H+](CC)Cc1cc(Br)ccc1O)OC ZINC001657431361 1196141368 /nfs/dbraw/zinc/14/13/68/1196141368.db2.gz LKXZZYLKADHYAQ-ZDUSSCGKSA-N 1 1 316.239 3.402 20 10 DGCDMO Cc1ccc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)c(O)c1 ZINC001657453056 1196142930 /nfs/dbraw/zinc/14/29/30/1196142930.db2.gz GGHGZQMFWBGDRM-GOSISDBHSA-N 1 1 324.424 3.328 20 10 DGCDMO C[C@@H](C[NH+]1CCC(C)CC1)NC/C=C/c1ccc(N(C)C)cc1 ZINC001657669155 1196167851 /nfs/dbraw/zinc/16/78/51/1196167851.db2.gz MYNPXVXAWMNVJR-QWNKOJSDSA-N 1 1 315.505 3.476 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC001657824865 1196181393 /nfs/dbraw/zinc/18/13/93/1196181393.db2.gz UKLOEVCBAUSGDI-UHFFFAOYSA-N 1 1 302.462 3.454 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC001657898232 1196191446 /nfs/dbraw/zinc/19/14/46/1196191446.db2.gz ZZKLFBNEHAHOAZ-ZDUSSCGKSA-N 1 1 305.324 3.154 20 10 DGCDMO CC(C)(C)CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001657905060 1196192196 /nfs/dbraw/zinc/19/21/96/1196192196.db2.gz JMOZSYRLVFDVRP-NSHDSACASA-N 1 1 303.805 3.462 20 10 DGCDMO CCC[N@@H+]1CCC[C@H]1CNCc1ccc(N(CC)CC)cc1 ZINC001657921812 1196194248 /nfs/dbraw/zinc/19/42/48/1196194248.db2.gz QZJNQYPPXFCSDW-IBGZPJMESA-N 1 1 303.494 3.497 20 10 DGCDMO CCC[N@H+]1CCC[C@H]1CNCc1ccc(N(CC)CC)cc1 ZINC001657921812 1196194250 /nfs/dbraw/zinc/19/42/50/1196194250.db2.gz QZJNQYPPXFCSDW-IBGZPJMESA-N 1 1 303.494 3.497 20 10 DGCDMO CCCOc1ccc(CN[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1C ZINC001658176130 1196221376 /nfs/dbraw/zinc/22/13/76/1196221376.db2.gz ZHWJHHUFOMYWBH-RCCFBDPRSA-N 1 1 302.462 3.214 20 10 DGCDMO CCCOc1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1C ZINC001658176130 1196221378 /nfs/dbraw/zinc/22/13/78/1196221378.db2.gz ZHWJHHUFOMYWBH-RCCFBDPRSA-N 1 1 302.462 3.214 20 10 DGCDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001658206316 1196225060 /nfs/dbraw/zinc/22/50/60/1196225060.db2.gz YPJDSTCWZZPTKL-HNNXBMFYSA-N 1 1 305.418 3.291 20 10 DGCDMO C[C@H](CC1CCC1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001658380416 1196249670 /nfs/dbraw/zinc/24/96/70/1196249670.db2.gz JBGHNADXEAGHAF-MRXNPFEDSA-N 1 1 301.478 3.107 20 10 DGCDMO CC[C@@H](C)[C@H](C[N@@H+](C)CCN(C)c1ccc(OC)cc1)OC ZINC001658486676 1196262678 /nfs/dbraw/zinc/26/26/78/1196262678.db2.gz GWOUXSJNIAYQQS-QAPCUYQASA-N 1 1 308.466 3.124 20 10 DGCDMO CN(c1ccccc1)[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001658641766 1196283240 /nfs/dbraw/zinc/28/32/40/1196283240.db2.gz HQWOHJZGXZGMSI-HNNXBMFYSA-N 1 1 318.367 3.381 20 10 DGCDMO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001658641766 1196283243 /nfs/dbraw/zinc/28/32/43/1196283243.db2.gz HQWOHJZGXZGMSI-HNNXBMFYSA-N 1 1 318.367 3.381 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC[C@H](O)C1CCCC1 ZINC001658757571 1196296928 /nfs/dbraw/zinc/29/69/28/1196296928.db2.gz WMLKCZIJGPAUJF-AWEZNQCLSA-N 1 1 301.789 3.216 20 10 DGCDMO COC(=O)c1ccccc1CC[NH2+]Cc1ccc(Cl)cc1O ZINC001658970120 1196325938 /nfs/dbraw/zinc/32/59/38/1196325938.db2.gz UNNJYQLQTNOTED-UHFFFAOYSA-N 1 1 319.788 3.165 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+]CC1(CN(C)C)CCCC1 ZINC001659369624 1196375933 /nfs/dbraw/zinc/37/59/33/1196375933.db2.gz MKWAHYYDLZHIDO-UHFFFAOYSA-N 1 1 303.494 3.273 20 10 DGCDMO Cc1cc(N(C)C)ccc1CNCC1(C[NH+](C)C)CCCC1 ZINC001659369624 1196375941 /nfs/dbraw/zinc/37/59/41/1196375941.db2.gz MKWAHYYDLZHIDO-UHFFFAOYSA-N 1 1 303.494 3.273 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCOCC3(CCOCC3)C2)c1 ZINC001659433969 1196382849 /nfs/dbraw/zinc/38/28/49/1196382849.db2.gz ADWQLUDEWUPGCC-UHFFFAOYSA-N 1 1 319.445 3.145 20 10 DGCDMO Cc1ccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c(O)c1 ZINC001659520890 1196390622 /nfs/dbraw/zinc/39/06/22/1196390622.db2.gz YMYLXGAPAQQMAF-MOPGFXCFSA-N 1 1 310.441 3.136 20 10 DGCDMO Cc1ccc(C[N@H+](CC(=O)OC(C)(C)C)C2CCC2)c(O)c1 ZINC001659552798 1196394648 /nfs/dbraw/zinc/39/46/48/1196394648.db2.gz FQSNMVBJMATZLP-UHFFFAOYSA-N 1 1 305.418 3.397 20 10 DGCDMO Cc1ccc(C[N@@H+](CC(=O)OC(C)(C)C)C2CCC2)c(O)c1 ZINC001659552798 1196394652 /nfs/dbraw/zinc/39/46/52/1196394652.db2.gz FQSNMVBJMATZLP-UHFFFAOYSA-N 1 1 305.418 3.397 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1 ZINC001660049255 1196440438 /nfs/dbraw/zinc/44/04/38/1196440438.db2.gz FZFOLHPIWCFKLA-INIZCTEOSA-N 1 1 304.434 3.005 20 10 DGCDMO COc1nc2ccccc2cc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC001660549789 1196496118 /nfs/dbraw/zinc/49/61/18/1196496118.db2.gz KIOQYXIZTQVGDU-UHFFFAOYSA-N 1 1 306.365 3.465 20 10 DGCDMO COc1nc2ccccc2cc1C[N@H+]1Cc2cccc(O)c2C1 ZINC001660549789 1196496121 /nfs/dbraw/zinc/49/61/21/1196496121.db2.gz KIOQYXIZTQVGDU-UHFFFAOYSA-N 1 1 306.365 3.465 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CCC1 ZINC001660588227 1196501376 /nfs/dbraw/zinc/50/13/76/1196501376.db2.gz PZDWCGDMZISVBS-LJQANCHMSA-N 1 1 301.478 3.107 20 10 DGCDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001660601149 1196501868 /nfs/dbraw/zinc/50/18/68/1196501868.db2.gz HLUDKZDPUVRLMD-GUYCJALGSA-N 1 1 323.820 3.129 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c(O)c1 ZINC001660648545 1196508472 /nfs/dbraw/zinc/50/84/72/1196508472.db2.gz HREKYUBKUFQQBY-CQSZACIVSA-N 1 1 303.324 3.484 20 10 DGCDMO CC1CC[NH+](CCCNC/C=C/c2ccc(N(C)C)cc2)CC1 ZINC001660797453 1196525519 /nfs/dbraw/zinc/52/55/19/1196525519.db2.gz DUELJCWSKQAZBB-GQCTYLIASA-N 1 1 315.505 3.477 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H](c1ccccc1)N(C)C ZINC001662266266 1196701199 /nfs/dbraw/zinc/70/11/99/1196701199.db2.gz LNGUTSDURLHIGH-PXAZEXFGSA-N 1 1 320.383 3.451 20 10 DGCDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001664576820 1197016126 /nfs/dbraw/zinc/01/61/26/1197016126.db2.gz JUARNGCBWISNJF-INIZCTEOSA-N 1 1 321.367 3.360 20 10 DGCDMO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC001664576820 1197016129 /nfs/dbraw/zinc/01/61/29/1197016129.db2.gz JUARNGCBWISNJF-INIZCTEOSA-N 1 1 321.367 3.360 20 10 DGCDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC001664576820 1197016134 /nfs/dbraw/zinc/01/61/34/1197016134.db2.gz JUARNGCBWISNJF-INIZCTEOSA-N 1 1 321.367 3.360 20 10 DGCDMO Cc1ccc(C[N@@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)c(O)c1 ZINC001664810364 1197062424 /nfs/dbraw/zinc/06/24/24/1197062424.db2.gz AJOCMTFIWSKGCI-ZDUSSCGKSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1ccc(C[N@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)c(O)c1 ZINC001664810364 1197062429 /nfs/dbraw/zinc/06/24/29/1197062429.db2.gz AJOCMTFIWSKGCI-ZDUSSCGKSA-N 1 1 303.324 3.242 20 10 DGCDMO Cn1cc(-c2ccc(C[NH2+]Cc3c(O)cccc3F)cc2)cn1 ZINC001665711742 1197179362 /nfs/dbraw/zinc/17/93/62/1197179362.db2.gz DQEHWAWKLKGUEM-UHFFFAOYSA-N 1 1 311.360 3.222 20 10 DGCDMO CN(CCC[NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1F ZINC001648891664 1081956098 /nfs/dbraw/zinc/95/60/98/1081956098.db2.gz NOCYARGBBZTJDU-UHFFFAOYSA-N 1 1 324.346 3.426 20 10 DGCDMO Cc1cccc(N2CC[NH+](Cc3ccc(Cl)cc3O)CC2)n1 ZINC001140461816 1082258628 /nfs/dbraw/zinc/25/86/28/1082258628.db2.gz ULUAEURHYDDCPF-UHFFFAOYSA-N 1 1 317.820 3.071 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)c1 ZINC001140622853 1082655535 /nfs/dbraw/zinc/65/55/35/1082655535.db2.gz BYZODQWORMHXBS-CQSZACIVSA-N 1 1 305.418 3.254 20 10 DGCDMO CC[C@@H]1C[C@H]1C[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001167741289 1083366846 /nfs/dbraw/zinc/36/68/46/1083366846.db2.gz SIGYSJSCXUJUTH-NEPJUHHUSA-N 1 1 311.809 3.067 20 10 DGCDMO CCCC[N@H+](Cc1nc(CO)cs1)Cc1ccccc1O ZINC001181184906 1083424435 /nfs/dbraw/zinc/42/44/35/1083424435.db2.gz KSBQCHIFDDXSBX-UHFFFAOYSA-N 1 1 306.431 3.143 20 10 DGCDMO CCCC[N@@H+](Cc1nc(CO)cs1)Cc1ccccc1O ZINC001181184906 1083424437 /nfs/dbraw/zinc/42/44/37/1083424437.db2.gz KSBQCHIFDDXSBX-UHFFFAOYSA-N 1 1 306.431 3.143 20 10 DGCDMO CCc1cccc(C[N@H+]2CCOc3cc(OC)ccc3C2)c1O ZINC001181184207 1083424491 /nfs/dbraw/zinc/42/44/91/1083424491.db2.gz FMTMJLCCMIZLDC-UHFFFAOYSA-N 1 1 313.397 3.358 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC001182522724 1083746448 /nfs/dbraw/zinc/74/64/48/1083746448.db2.gz VVYUBKRXVIIWAK-UHFFFAOYSA-N 1 1 311.372 3.309 20 10 DGCDMO CCC(C)(C)[NH+]1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC001182634686 1083761268 /nfs/dbraw/zinc/76/12/68/1083761268.db2.gz NKGULGCPVVGXFY-UHFFFAOYSA-N 1 1 314.832 3.491 20 10 DGCDMO CCc1cccc(C[N@@H+](C)CCc2ccc3c(c2)OCO3)c1O ZINC001183842143 1084040408 /nfs/dbraw/zinc/04/04/08/1084040408.db2.gz ADIMZGDEFRMQKG-UHFFFAOYSA-N 1 1 313.397 3.358 20 10 DGCDMO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2c(O)cccc2F)C1 ZINC001183919738 1084066783 /nfs/dbraw/zinc/06/67/83/1084066783.db2.gz OMEOUCNZVJYCRB-LBPRGKRZSA-N 1 1 324.396 3.020 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@@]1(O)C(F)(F)F ZINC001203651817 1084739149 /nfs/dbraw/zinc/73/91/49/1084739149.db2.gz XMIHREVPGDCVCO-ZANVPECISA-N 1 1 323.742 3.181 20 10 DGCDMO CN(Cc1ccccc1O)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994802 1086059941 /nfs/dbraw/zinc/05/99/41/1086059941.db2.gz PULTZWNUCMTAHJ-JWTNVVGKSA-N 1 1 300.446 3.229 20 10 DGCDMO CN(Cc1ccccc1O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994802 1086059952 /nfs/dbraw/zinc/05/99/52/1086059952.db2.gz PULTZWNUCMTAHJ-JWTNVVGKSA-N 1 1 300.446 3.229 20 10 DGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@@H]2CCO[C@@H](C)C2)C1 ZINC001168129926 1086958815 /nfs/dbraw/zinc/95/88/15/1086958815.db2.gz BDXVZXRECYXMDQ-UONOGXRCSA-N 1 1 314.429 3.113 20 10 DGCDMO C[N@@H+](Cc1cccc2c1OCO2)Cc1cc(F)c(F)cc1[O-] ZINC001142534653 1087279581 /nfs/dbraw/zinc/27/95/81/1087279581.db2.gz QVWRPYPBZPFZOP-UHFFFAOYSA-N 1 1 307.296 3.031 20 10 DGCDMO CO[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)CC1 ZINC000691682480 1088738489 /nfs/dbraw/zinc/73/84/89/1088738489.db2.gz PMRMCHPPHQWNQC-ZDUSSCGKSA-N 1 1 314.223 3.156 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC(F)(F)[C@H](N)C2)cc1 ZINC001206654319 1089015725 /nfs/dbraw/zinc/01/57/25/1089015725.db2.gz BLLYSAVDAANZCY-QGZVFWFLSA-N 1 1 319.399 3.262 20 10 DGCDMO Cc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC001156659008 1089631086 /nfs/dbraw/zinc/63/10/86/1089631086.db2.gz IOUKNRDVPARFFH-UHFFFAOYSA-N 1 1 310.445 3.062 20 10 DGCDMO C[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2O)CCC[C@@H]1O ZINC001236794976 1089878198 /nfs/dbraw/zinc/87/81/98/1089878198.db2.gz YPIWLPXCKKNTPU-ZANVPECISA-N 1 1 304.217 3.292 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CCC[C@@H]1O ZINC001236794976 1089878217 /nfs/dbraw/zinc/87/82/17/1089878217.db2.gz YPIWLPXCKKNTPU-ZANVPECISA-N 1 1 304.217 3.292 20 10 DGCDMO CCCc1noc([C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)n1 ZINC001203558661 1090616481 /nfs/dbraw/zinc/61/64/81/1090616481.db2.gz SXDIBKJYAFKFGT-CQSZACIVSA-N 1 1 301.390 3.107 20 10 DGCDMO Oc1ccccc1CN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001203558677 1090616607 /nfs/dbraw/zinc/61/66/07/1090616607.db2.gz UTUGMNIVXKOCCC-UHFFFAOYSA-N 1 1 322.452 3.415 20 10 DGCDMO Oc1ccccc1CN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001203558677 1090616609 /nfs/dbraw/zinc/61/66/09/1090616609.db2.gz UTUGMNIVXKOCCC-UHFFFAOYSA-N 1 1 322.452 3.415 20 10 DGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ccccc2O)C1 ZINC001203556033 1090754387 /nfs/dbraw/zinc/75/43/87/1090754387.db2.gz IWEXARJFWSNSFJ-UHFFFAOYSA-N 1 1 322.408 3.451 20 10 DGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ccccc2O)C1 ZINC001203556033 1090754389 /nfs/dbraw/zinc/75/43/89/1090754389.db2.gz IWEXARJFWSNSFJ-UHFFFAOYSA-N 1 1 322.408 3.451 20 10 DGCDMO Oc1ccccc1C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001203561658 1090756442 /nfs/dbraw/zinc/75/64/42/1090756442.db2.gz XRLRTYHJLLEOQB-MJGOQNOKSA-N 1 1 308.425 3.099 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c1O ZINC001203599589 1090764740 /nfs/dbraw/zinc/76/47/40/1090764740.db2.gz JFCOIKIGSSNAME-AWEZNQCLSA-N 1 1 321.417 3.097 20 10 DGCDMO CCOc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)c1O ZINC001203609993 1090766550 /nfs/dbraw/zinc/76/65/50/1090766550.db2.gz QVHHAFRDHFJGMB-VNQPRFMTSA-N 1 1 305.418 3.038 20 10 DGCDMO COc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)c(O)c1 ZINC001203628519 1090769369 /nfs/dbraw/zinc/76/93/69/1090769369.db2.gz AHKMRSPRDXWSAQ-GOSISDBHSA-N 1 1 313.397 3.444 20 10 DGCDMO COc1ccc(CN2CC[N@H+](C3CCCCC3)[C@@H](C)C2)c(O)c1 ZINC001203634985 1090770457 /nfs/dbraw/zinc/77/04/57/1090770457.db2.gz FDMOAYDKNZGFMU-HNNXBMFYSA-N 1 1 318.461 3.240 20 10 DGCDMO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665630 1090775997 /nfs/dbraw/zinc/77/59/97/1090775997.db2.gz QIAOPXBWGJQPOD-GFCCVEGCSA-N 1 1 311.809 3.211 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C(=O)c3ccccc3)C2)c1 ZINC001203681085 1090778954 /nfs/dbraw/zinc/77/89/54/1090778954.db2.gz OPDGZIXNYBSJGX-HNNXBMFYSA-N 1 1 311.381 3.106 20 10 DGCDMO Oc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)cc1O ZINC001203877629 1090825461 /nfs/dbraw/zinc/82/54/61/1090825461.db2.gz UXLYQXLMTAPBNM-GJYPPUQNSA-N 1 1 317.429 3.125 20 10 DGCDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(O)c(O)c1 ZINC001203881107 1090826111 /nfs/dbraw/zinc/82/61/11/1090826111.db2.gz LSQWNNHXHHSQSF-ZDUSSCGKSA-N 1 1 301.386 3.169 20 10 DGCDMO COc1cccc([C@@H]2CCC[N@@H+](Cc3ccc(O)c(O)c3)C2)c1 ZINC001203881651 1090826497 /nfs/dbraw/zinc/82/64/97/1090826497.db2.gz SDYMUCNKASJAKR-MRXNPFEDSA-N 1 1 313.397 3.486 20 10 DGCDMO COc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cc1C ZINC001203898038 1090832272 /nfs/dbraw/zinc/83/22/72/1090832272.db2.gz AUGDZPKHCHJKTH-UHFFFAOYSA-N 1 1 313.397 3.363 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2)cc1 ZINC001203934571 1090842573 /nfs/dbraw/zinc/84/25/73/1090842573.db2.gz WXSLHULLKSKQTN-LJQANCHMSA-N 1 1 301.478 3.203 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CN2CCCC2)cc1 ZINC001203934571 1090842576 /nfs/dbraw/zinc/84/25/76/1090842576.db2.gz WXSLHULLKSKQTN-LJQANCHMSA-N 1 1 301.478 3.203 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C(=O)OC)[C@H]2C)cc1 ZINC001203942412 1090846200 /nfs/dbraw/zinc/84/62/00/1090846200.db2.gz PMUUKCZFBIDTRU-CRAIPNDOSA-N 1 1 318.461 3.306 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)cc1 ZINC001203946509 1090848488 /nfs/dbraw/zinc/84/84/88/1090848488.db2.gz UNNQZCIAYVZGDX-WMZOPIPTSA-N 1 1 300.446 3.334 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@]1(C)O ZINC001204233590 1090930015 /nfs/dbraw/zinc/93/00/15/1090930015.db2.gz RWJAFLJZHGTVHL-QRWLVFNGSA-N 1 1 312.457 3.499 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CCC[C@@H]1O ZINC001204232628 1090930135 /nfs/dbraw/zinc/93/01/35/1090930135.db2.gz GTTTWFXPWBXVOQ-QRWLVFNGSA-N 1 1 312.457 3.499 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCc3nn(C)cc3C2)c2ccccc21 ZINC001204240063 1090931604 /nfs/dbraw/zinc/93/16/04/1090931604.db2.gz HCODFCRDDWTTSL-UHFFFAOYSA-N 1 1 320.440 3.198 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)c2ccccc21 ZINC001204243345 1090934167 /nfs/dbraw/zinc/93/41/67/1090934167.db2.gz XVGAJUIFDGADHO-IYBDPMFKSA-N 1 1 308.425 3.317 20 10 DGCDMO CC(C)(C)c1cccc(C[NH+]2CC(Oc3cccnc3)C2)c1O ZINC001143110544 1090937361 /nfs/dbraw/zinc/93/73/61/1090937361.db2.gz IQWQRVFOYSIOMF-UHFFFAOYSA-N 1 1 312.413 3.348 20 10 DGCDMO CN(Cc1ccc(O)cc1O)C1CC[NH+](C2CCCCC2)CC1 ZINC001204282306 1090939577 /nfs/dbraw/zinc/93/95/77/1090939577.db2.gz PMJUVLPRBSJEEP-UHFFFAOYSA-N 1 1 318.461 3.327 20 10 DGCDMO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204323020 1090949146 /nfs/dbraw/zinc/94/91/46/1090949146.db2.gz ZBRXLLMZJQBHIH-SFHVURJKSA-N 1 1 316.445 3.204 20 10 DGCDMO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204323020 1090949149 /nfs/dbraw/zinc/94/91/49/1090949149.db2.gz ZBRXLLMZJQBHIH-SFHVURJKSA-N 1 1 316.445 3.204 20 10 DGCDMO c1cncc(O[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)c1 ZINC001204327028 1090949246 /nfs/dbraw/zinc/94/92/46/1090949246.db2.gz LSCLKVMLYFZPFD-HXUWFJFHSA-N 1 1 323.440 3.335 20 10 DGCDMO c1ccc([C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)CCO2)nc1 ZINC001204322578 1090949553 /nfs/dbraw/zinc/94/95/53/1090949553.db2.gz SMYWXZDCFACFMN-HXUWFJFHSA-N 1 1 323.440 3.255 20 10 DGCDMO c1ccc([C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)CCO2)nc1 ZINC001204322578 1090949559 /nfs/dbraw/zinc/94/95/59/1090949559.db2.gz SMYWXZDCFACFMN-HXUWFJFHSA-N 1 1 323.440 3.255 20 10 DGCDMO C[N@H+](Cc1cc(F)c(F)cc1O)[C@@H](CCO)c1ccccc1 ZINC001204333310 1090950403 /nfs/dbraw/zinc/95/04/03/1090950403.db2.gz BJTFVGZPFZLOSR-INIZCTEOSA-N 1 1 307.340 3.226 20 10 DGCDMO C[N@@H+](Cc1cc(F)c(F)cc1O)[C@@H](CCO)c1ccccc1 ZINC001204333310 1090950409 /nfs/dbraw/zinc/95/04/09/1090950409.db2.gz BJTFVGZPFZLOSR-INIZCTEOSA-N 1 1 307.340 3.226 20 10 DGCDMO CN1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C2(CCCC2)C1 ZINC001204329296 1090950701 /nfs/dbraw/zinc/95/07/01/1090950701.db2.gz KRUYQRFPPURYPP-UHFFFAOYSA-N 1 1 313.489 3.347 20 10 DGCDMO C[N@@H+]1CCN(Cc2ccc(N3CCCC3)cc2)C2(CCCC2)C1 ZINC001204329296 1090950704 /nfs/dbraw/zinc/95/07/04/1090950704.db2.gz KRUYQRFPPURYPP-UHFFFAOYSA-N 1 1 313.489 3.347 20 10 DGCDMO C[N@H+]1CCN(Cc2ccc(N3CCCC3)cc2)C2(CCCC2)C1 ZINC001204329296 1090950710 /nfs/dbraw/zinc/95/07/10/1090950710.db2.gz KRUYQRFPPURYPP-UHFFFAOYSA-N 1 1 313.489 3.347 20 10 DGCDMO CC[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CCN(C)CC1 ZINC001204327518 1090950849 /nfs/dbraw/zinc/95/08/49/1090950849.db2.gz WWBNGEOMHHRPGA-UHFFFAOYSA-N 1 1 301.478 3.203 20 10 DGCDMO c1cc(O[C@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)ccn1 ZINC001204329093 1090951014 /nfs/dbraw/zinc/95/10/14/1090951014.db2.gz WTZJQPCCFZNGEV-FQEVSTJZSA-N 1 1 323.440 3.335 20 10 DGCDMO COc1cc(C[N@H+]2CC=C(c3ccccc3)CC2)cc(O)c1O ZINC001204346032 1090953052 /nfs/dbraw/zinc/95/30/52/1090953052.db2.gz JYSFMAPRQMYRJR-UHFFFAOYSA-N 1 1 311.381 3.396 20 10 DGCDMO COc1cc(C[N@@H+]2CC=C(c3ccccc3)CC2)cc(O)c1O ZINC001204346032 1090953054 /nfs/dbraw/zinc/95/30/54/1090953054.db2.gz JYSFMAPRQMYRJR-UHFFFAOYSA-N 1 1 311.381 3.396 20 10 DGCDMO C[C@@]1(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCCCO1 ZINC001205101918 1091102631 /nfs/dbraw/zinc/10/26/31/1091102631.db2.gz YOHVOEMNGXQVSA-HKUYNNGSSA-N 1 1 319.445 3.332 20 10 DGCDMO C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1ccc(N2CCCCC2)cc1 ZINC001138219697 1091118734 /nfs/dbraw/zinc/11/87/34/1091118734.db2.gz LWBILBVCBPPNMP-ICSRJNTNSA-N 1 1 313.489 3.203 20 10 DGCDMO CN1C[C@H]2[C@H](C1)CCC[N@@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC001138219697 1091118735 /nfs/dbraw/zinc/11/87/35/1091118735.db2.gz LWBILBVCBPPNMP-ICSRJNTNSA-N 1 1 313.489 3.203 20 10 DGCDMO CN1C[C@H]2[C@H](C1)CCC[N@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC001138219697 1091118739 /nfs/dbraw/zinc/11/87/39/1091118739.db2.gz LWBILBVCBPPNMP-ICSRJNTNSA-N 1 1 313.489 3.203 20 10 DGCDMO CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220601 1091120377 /nfs/dbraw/zinc/12/03/77/1091120377.db2.gz HQVDRDFXVJQNEQ-SFHVURJKSA-N 1 1 300.446 3.478 20 10 DGCDMO Cc1c(C[N@H+]2CCC[C@@](O)(CF)CC2)c2ccccc2n1C ZINC001138253048 1091126079 /nfs/dbraw/zinc/12/60/79/1091126079.db2.gz ZXZZUKMBHPVOMZ-SFHVURJKSA-N 1 1 304.409 3.173 20 10 DGCDMO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138257935 1091126450 /nfs/dbraw/zinc/12/64/50/1091126450.db2.gz DWFDBADQZYREDB-UKRRQHHQSA-N 1 1 314.429 3.118 20 10 DGCDMO Cc1c(C[NH+]2CC(N3CCC(F)(F)C3)C2)c2ccccc2n1C ZINC001138258137 1091126750 /nfs/dbraw/zinc/12/67/50/1091126750.db2.gz MTNNDKDXUFLBBE-UHFFFAOYSA-N 1 1 319.399 3.012 20 10 DGCDMO CC1CC([N@@H+](C)Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337958 1091145008 /nfs/dbraw/zinc/14/50/08/1091145008.db2.gz HYEXSLFCAHRDRB-UHFFFAOYSA-N 1 1 300.446 3.321 20 10 DGCDMO Cc1ccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c(O)c1 ZINC001205254357 1091151184 /nfs/dbraw/zinc/15/11/84/1091151184.db2.gz ZSEBGMDYSPPEJO-IBGZPJMESA-N 1 1 311.425 3.474 20 10 DGCDMO CN1CCCc2cc(CN3CC[N@@H+](C)CC34CCCC4)ccc21 ZINC001138359170 1091151760 /nfs/dbraw/zinc/15/17/60/1091151760.db2.gz LVYXDRAOJYULBA-UHFFFAOYSA-N 1 1 313.489 3.129 20 10 DGCDMO CN1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C2(CCCC2)C1 ZINC001138359170 1091151772 /nfs/dbraw/zinc/15/17/72/1091151772.db2.gz LVYXDRAOJYULBA-UHFFFAOYSA-N 1 1 313.489 3.129 20 10 DGCDMO CN1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)C2(CCCC2)C1 ZINC001138359170 1091151777 /nfs/dbraw/zinc/15/17/77/1091151777.db2.gz LVYXDRAOJYULBA-UHFFFAOYSA-N 1 1 313.489 3.129 20 10 DGCDMO COCC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138357506 1091151835 /nfs/dbraw/zinc/15/18/35/1091151835.db2.gz HDTIWAMOLKXJEX-SFHVURJKSA-N 1 1 302.462 3.460 20 10 DGCDMO CN1CCCc2cc(C[N@@H+](CCO)Cc3cccs3)ccc21 ZINC001138358417 1091151876 /nfs/dbraw/zinc/15/18/76/1091151876.db2.gz QUDBIMHOYPIZGW-UHFFFAOYSA-N 1 1 316.470 3.125 20 10 DGCDMO COc1ccc(F)cc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001138376961 1091157986 /nfs/dbraw/zinc/15/79/86/1091157986.db2.gz ZBIJYVPKMRCMFB-UHFFFAOYSA-N 1 1 317.360 3.194 20 10 DGCDMO COc1ccc(F)cc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001138376961 1091157988 /nfs/dbraw/zinc/15/79/88/1091157988.db2.gz ZBIJYVPKMRCMFB-UHFFFAOYSA-N 1 1 317.360 3.194 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](COC)C2)c(OC)c1 ZINC001138386219 1091161165 /nfs/dbraw/zinc/16/11/65/1091161165.db2.gz KCQPXXMXMUUVHA-HNNXBMFYSA-N 1 1 306.450 3.010 20 10 DGCDMO CCN(CC)c1ccc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)c(OC)c1 ZINC001138386688 1091161399 /nfs/dbraw/zinc/16/13/99/1091161399.db2.gz SWJJPKVVLHRKCX-JKSUJKDBSA-N 1 1 319.493 3.066 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)c(OC)c1 ZINC001138386688 1091161400 /nfs/dbraw/zinc/16/14/00/1091161400.db2.gz SWJJPKVVLHRKCX-JKSUJKDBSA-N 1 1 319.493 3.066 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)c(OC)c1 ZINC001138386688 1091161402 /nfs/dbraw/zinc/16/14/02/1091161402.db2.gz SWJJPKVVLHRKCX-JKSUJKDBSA-N 1 1 319.493 3.066 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c(OC)c1 ZINC001138386033 1091161420 /nfs/dbraw/zinc/16/14/20/1091161420.db2.gz FOMBMNUIMGFNCL-SJORKVTESA-N 1 1 318.461 3.010 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@H]2C(C)C)c(OC)c1 ZINC001138389234 1091163006 /nfs/dbraw/zinc/16/30/06/1091163006.db2.gz GVFNKLSJVYAHDE-SFHVURJKSA-N 1 1 320.477 3.398 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@H]2C(C)C)c(OC)c1 ZINC001138389234 1091163012 /nfs/dbraw/zinc/16/30/12/1091163012.db2.gz GVFNKLSJVYAHDE-SFHVURJKSA-N 1 1 320.477 3.398 20 10 DGCDMO COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@](C)([NH3+])CC3)c2c1 ZINC001205289616 1091167302 /nfs/dbraw/zinc/16/73/02/1091167302.db2.gz ZQVRPNAJUBHQJG-LJQANCHMSA-N 1 1 314.429 3.257 20 10 DGCDMO COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@](C)([NH3+])CC3)c2c1 ZINC001205289616 1091167308 /nfs/dbraw/zinc/16/73/08/1091167308.db2.gz ZQVRPNAJUBHQJG-LJQANCHMSA-N 1 1 314.429 3.257 20 10 DGCDMO COC(=O)[C@H]1CCCCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001205346980 1091195017 /nfs/dbraw/zinc/19/50/17/1091195017.db2.gz INGLEUBEVIADAS-LKGOPFMKSA-N 1 1 316.445 3.183 20 10 DGCDMO COC(=O)[C@H]1CCCCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001205346980 1091195028 /nfs/dbraw/zinc/19/50/28/1091195028.db2.gz INGLEUBEVIADAS-LKGOPFMKSA-N 1 1 316.445 3.183 20 10 DGCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC001138497035 1091206432 /nfs/dbraw/zinc/20/64/32/1091206432.db2.gz YNWFQFFHODXNRE-DLBZAZTESA-N 1 1 302.462 3.391 20 10 DGCDMO COc1ccc(C[N@H+](C)Cc2c(O)cccc2F)cc1OC ZINC001137837500 1091206567 /nfs/dbraw/zinc/20/65/67/1091206567.db2.gz JJHQWPKTQYWSPN-UHFFFAOYSA-N 1 1 305.349 3.181 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2c(O)cccc2F)cc1OC ZINC001137837500 1091206571 /nfs/dbraw/zinc/20/65/71/1091206571.db2.gz JJHQWPKTQYWSPN-UHFFFAOYSA-N 1 1 305.349 3.181 20 10 DGCDMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc(C)cc1O ZINC001205589057 1091268698 /nfs/dbraw/zinc/26/86/98/1091268698.db2.gz JNTWQOBLHWIMJN-SFHVURJKSA-N 1 1 305.418 3.398 20 10 DGCDMO [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001205591412 1091270982 /nfs/dbraw/zinc/27/09/82/1091270982.db2.gz MERHBIXPGSYGOY-AWEZNQCLSA-N 1 1 321.223 3.352 20 10 DGCDMO C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001205902236 1091399431 /nfs/dbraw/zinc/39/94/31/1091399431.db2.gz JCTYLNGZWTUOPD-VHSXEESVSA-N 1 1 303.233 3.258 20 10 DGCDMO C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001205902236 1091399443 /nfs/dbraw/zinc/39/94/43/1091399443.db2.gz JCTYLNGZWTUOPD-VHSXEESVSA-N 1 1 303.233 3.258 20 10 DGCDMO C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001205902234 1091399877 /nfs/dbraw/zinc/39/98/77/1091399877.db2.gz JCTYLNGZWTUOPD-NXEZZACHSA-N 1 1 303.233 3.258 20 10 DGCDMO C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001205902234 1091399885 /nfs/dbraw/zinc/39/98/85/1091399885.db2.gz JCTYLNGZWTUOPD-NXEZZACHSA-N 1 1 303.233 3.258 20 10 DGCDMO CCC(CC)[N@@H+](CC)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139258040 1091502079 /nfs/dbraw/zinc/50/20/79/1091502079.db2.gz KJPNGFWBANRRHL-UHFFFAOYSA-N 1 1 308.466 3.473 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)Cc1c(N)c(OC)ccc1OC ZINC001139277712 1091507996 /nfs/dbraw/zinc/50/79/96/1091507996.db2.gz HHSBBAGHPQBISN-UHFFFAOYSA-N 1 1 316.401 3.014 20 10 DGCDMO C[C@H]1C[NH2+]CCCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001206263389 1091556974 /nfs/dbraw/zinc/55/69/74/1091556974.db2.gz WGVYCGIWCSKNGB-AWEZNQCLSA-N 1 1 314.404 3.382 20 10 DGCDMO NC[C@]1(F)CCCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001206362728 1091600289 /nfs/dbraw/zinc/60/02/89/1091600289.db2.gz QDWPORNOAQJADO-GOSISDBHSA-N 1 1 302.393 3.198 20 10 DGCDMO NC[C@]1(F)CCCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001206362728 1091600293 /nfs/dbraw/zinc/60/02/93/1091600293.db2.gz QDWPORNOAQJADO-GOSISDBHSA-N 1 1 302.393 3.198 20 10 DGCDMO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674568 1091639817 /nfs/dbraw/zinc/63/98/17/1091639817.db2.gz WNMQHBPIISUQQS-KRWDZBQOSA-N 1 1 318.461 3.226 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1ccccc1-c1cncnc1)CC2 ZINC001140021565 1091741770 /nfs/dbraw/zinc/74/17/70/1091741770.db2.gz VXCVMAALODTUNF-UHFFFAOYSA-N 1 1 317.392 3.408 20 10 DGCDMO CN1CC[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1c1ccccc1 ZINC001140055835 1091751439 /nfs/dbraw/zinc/75/14/39/1091751439.db2.gz XFTZCCTZGDPLOQ-QGZVFWFLSA-N 1 1 300.377 3.020 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001140055727 1091751497 /nfs/dbraw/zinc/75/14/97/1091751497.db2.gz RCOCITVNVJHXGF-MRXNPFEDSA-N 1 1 305.324 3.324 20 10 DGCDMO C[C@]1(c2ccc(F)cc2)C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC001140059146 1091751519 /nfs/dbraw/zinc/75/15/19/1091751519.db2.gz VQCFEMUOURCZNR-GOSISDBHSA-N 1 1 319.351 3.418 20 10 DGCDMO C[C@]1(c2ccc(F)cc2)C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC001140059146 1091751526 /nfs/dbraw/zinc/75/15/26/1091751526.db2.gz VQCFEMUOURCZNR-GOSISDBHSA-N 1 1 319.351 3.418 20 10 DGCDMO Oc1ccc(F)cc1CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001140055754 1091752869 /nfs/dbraw/zinc/75/28/69/1091752869.db2.gz SNABLNUXPCGIEY-KRWDZBQOSA-N 1 1 306.425 3.372 20 10 DGCDMO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)c1 ZINC001140060160 1091754369 /nfs/dbraw/zinc/75/43/69/1091754369.db2.gz NJNPCYPVBDSIGV-INIZCTEOSA-N 1 1 316.376 3.278 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CCc3cnc(C4CC4)nc3C2)c1O ZINC001140184910 1091794582 /nfs/dbraw/zinc/79/45/82/1091794582.db2.gz KRLHPPYJFKRBIQ-UHFFFAOYSA-N 1 1 309.413 3.235 20 10 DGCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@H](N3CCCCC3)[C@@H](F)C2)c1O ZINC001140186070 1091794902 /nfs/dbraw/zinc/79/49/02/1091794902.db2.gz ZHDVVZBFNHRGKI-ROUUACIJSA-N 1 1 320.452 3.407 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H](N3CCCCC3)[C@@H](F)C2)c1O ZINC001140186070 1091794911 /nfs/dbraw/zinc/79/49/11/1091794911.db2.gz ZHDVVZBFNHRGKI-ROUUACIJSA-N 1 1 320.452 3.407 20 10 DGCDMO C[C@@]1(F)CCCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140282878 1091814919 /nfs/dbraw/zinc/81/49/19/1091814919.db2.gz IXFQNVBNKJJSTF-LJQANCHMSA-N 1 1 320.452 3.362 20 10 DGCDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140285324 1091816582 /nfs/dbraw/zinc/81/65/82/1091816582.db2.gz IYIHMHSEQCBYAJ-JKSUJKDBSA-N 1 1 302.462 3.268 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001140338176 1091834072 /nfs/dbraw/zinc/83/40/72/1091834072.db2.gz YOGPIVWDCNHSDK-UHFFFAOYSA-N 1 1 317.772 3.333 20 10 DGCDMO COC(=O)c1cccc(C[N@@H+](C)Cc2c(O)cccc2Cl)c1 ZINC001140341711 1091835014 /nfs/dbraw/zinc/83/50/14/1091835014.db2.gz DJNTWBLXAQCPDS-UHFFFAOYSA-N 1 1 319.788 3.464 20 10 DGCDMO C[N@H+](Cc1c(O)cccc1Cl)C[C@H]1Cc2ccccc2O1 ZINC001140342575 1091835319 /nfs/dbraw/zinc/83/53/19/1091835319.db2.gz PQNCMZMPZVBYTC-CYBMUJFWSA-N 1 1 303.789 3.481 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc(-c3cncnc3)cc1)CC2 ZINC001140357366 1091841062 /nfs/dbraw/zinc/84/10/62/1091841062.db2.gz XMIKMYOYDMQTEE-UHFFFAOYSA-N 1 1 317.392 3.408 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@@]1(O)C(F)(F)F ZINC001140461758 1091874367 /nfs/dbraw/zinc/87/43/67/1091874367.db2.gz SYBDWIKXDCTQGY-RNCFNFMXSA-N 1 1 323.742 3.181 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CC[C@@]1(O)C(F)(F)F ZINC001140462858 1091876310 /nfs/dbraw/zinc/87/63/10/1091876310.db2.gz MSJHPVUHTVJIGX-ZANVPECISA-N 1 1 323.742 3.181 20 10 DGCDMO CC(=O)N1CCCC[C@]12CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140465775 1091878545 /nfs/dbraw/zinc/87/85/45/1091878545.db2.gz UVIDJOIRJRMBSW-QGZVFWFLSA-N 1 1 322.836 3.023 20 10 DGCDMO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001207311173 1091920442 /nfs/dbraw/zinc/92/04/42/1091920442.db2.gz AUSGWXRVQZTCHU-GFCCVEGCSA-N 1 1 309.715 3.199 20 10 DGCDMO CC(C)NC(=O)c1ccc(C[N@H+]2CCc3cccc(O)c3C2)cc1 ZINC001140618048 1091933145 /nfs/dbraw/zinc/93/31/45/1091933145.db2.gz YLNBTJXZKJAFKX-UHFFFAOYSA-N 1 1 324.424 3.089 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+](Cc2cccnc2)C2CCOCC2)c1 ZINC001140621276 1091934916 /nfs/dbraw/zinc/93/49/16/1091934916.db2.gz SZAKMCINSCDYLW-UHFFFAOYSA-N 1 1 312.413 3.277 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC001140624223 1091936272 /nfs/dbraw/zinc/93/62/72/1091936272.db2.gz LRBAFNVVIXSDIO-ICSRJNTNSA-N 1 1 322.452 3.407 20 10 DGCDMO CCOC(=O)C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)C[C@H]1C ZINC001140624131 1091936450 /nfs/dbraw/zinc/93/64/50/1091936450.db2.gz HLVXHPNVTXJOFR-CABCVRRESA-N 1 1 305.418 3.112 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1F)CC1CCCC1 ZINC001140663406 1091949516 /nfs/dbraw/zinc/94/95/16/1091949516.db2.gz CPRRTWQPFKGIKQ-UHFFFAOYSA-N 1 1 306.425 3.284 20 10 DGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1O ZINC001140746185 1091983822 /nfs/dbraw/zinc/98/38/22/1091983822.db2.gz VOLBAOTVRCJICW-MRXNPFEDSA-N 1 1 317.360 3.199 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001140851001 1092029351 /nfs/dbraw/zinc/02/93/51/1092029351.db2.gz XYNSKLIFCXFSRF-HNNXBMFYSA-N 1 1 316.367 3.418 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001140851001 1092029362 /nfs/dbraw/zinc/02/93/62/1092029362.db2.gz XYNSKLIFCXFSRF-HNNXBMFYSA-N 1 1 316.367 3.418 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001140850662 1092029734 /nfs/dbraw/zinc/02/97/34/1092029734.db2.gz PVWVSAQEHIDKIA-HNAYVOBHSA-N 1 1 320.477 3.221 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c(O)c1 ZINC001140856130 1092030232 /nfs/dbraw/zinc/03/02/32/1092030232.db2.gz JHJMWHYLLTWKLA-PBHICJAKSA-N 1 1 316.445 3.039 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2Cc3cnc(C)cc3C2)c(O)c1 ZINC001140855492 1092031301 /nfs/dbraw/zinc/03/13/01/1092031301.db2.gz BJSIIRVBMBLLBW-UHFFFAOYSA-N 1 1 311.429 3.458 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2Cc3cnc(C)cc3C2)c(O)c1 ZINC001140855492 1092031312 /nfs/dbraw/zinc/03/13/12/1092031312.db2.gz BJSIIRVBMBLLBW-UHFFFAOYSA-N 1 1 311.429 3.458 20 10 DGCDMO Oc1cccc(F)c1C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC001207621804 1092046974 /nfs/dbraw/zinc/04/69/74/1092046974.db2.gz JYQLQPZUPXSXJH-UHFFFAOYSA-N 1 1 311.259 3.143 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c(Cl)c1 ZINC001140925824 1092064834 /nfs/dbraw/zinc/06/48/34/1092064834.db2.gz WJJDWLQPQOTZGQ-KRWDZBQOSA-N 1 1 308.853 3.409 20 10 DGCDMO CC[N@@H+](C)C1CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140925500 1092065081 /nfs/dbraw/zinc/06/50/81/1092065081.db2.gz CBXRZHZFQGUASQ-UHFFFAOYSA-N 1 1 309.885 3.322 20 10 DGCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140926725 1092066665 /nfs/dbraw/zinc/06/66/65/1092066665.db2.gz RPLFVPMABAYRPJ-ZDUSSCGKSA-N 1 1 324.852 3.181 20 10 DGCDMO Cc1ccc(C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001140951014 1092078123 /nfs/dbraw/zinc/07/81/23/1092078123.db2.gz SZYXGBCLZJJSEX-WOJBJXKFSA-N 1 1 322.452 3.264 20 10 DGCDMO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140957984 1092080992 /nfs/dbraw/zinc/08/09/92/1092080992.db2.gz OVHYMOTUFHSQAD-HIFRSBDPSA-N 1 1 320.433 3.046 20 10 DGCDMO CC(C)[C@@H]1COCC[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078327 1092130902 /nfs/dbraw/zinc/13/09/02/1092130902.db2.gz RZPJAHNNORQXCI-IBGZPJMESA-N 1 1 314.473 3.242 20 10 DGCDMO CN1CCOc2cc(C[N@@H+](C)CC/C=C/c3cccnc3)ccc21 ZINC001141144227 1092150402 /nfs/dbraw/zinc/15/04/02/1092150402.db2.gz FGFCJNGGLAROOH-ZZXKWVIFSA-N 1 1 323.440 3.446 20 10 DGCDMO CN1CCOc2cc(C[N@@H+]3CCc4ccc(F)cc4C3)ccc21 ZINC001141143941 1092150861 /nfs/dbraw/zinc/15/08/61/1092150861.db2.gz OSKBOMQUPDMZLF-UHFFFAOYSA-N 1 1 312.388 3.213 20 10 DGCDMO CN1CCOc2cc(C[N@H+]3CCc4ccc(F)cc4C3)ccc21 ZINC001141143941 1092150871 /nfs/dbraw/zinc/15/08/71/1092150871.db2.gz OSKBOMQUPDMZLF-UHFFFAOYSA-N 1 1 312.388 3.213 20 10 DGCDMO CN1CC2(C1)CCC[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001276551141 1092154863 /nfs/dbraw/zinc/15/48/63/1092154863.db2.gz BKGSEFMDKVNBSC-UHFFFAOYSA-N 1 1 313.489 3.205 20 10 DGCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)c1 ZINC001141161831 1092157852 /nfs/dbraw/zinc/15/78/52/1092157852.db2.gz ZMDNKXNIECWSHI-SFHVURJKSA-N 1 1 313.397 3.279 20 10 DGCDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)nc1 ZINC001142530181 1092495311 /nfs/dbraw/zinc/49/53/11/1092495311.db2.gz ADUCVBZDWSVOJP-CYBMUJFWSA-N 1 1 320.339 3.027 20 10 DGCDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3O)C2)nc1 ZINC001142530181 1092495319 /nfs/dbraw/zinc/49/53/19/1092495319.db2.gz ADUCVBZDWSVOJP-CYBMUJFWSA-N 1 1 320.339 3.027 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001142530960 1092496137 /nfs/dbraw/zinc/49/61/37/1092496137.db2.gz MTBITJQVCPPXQQ-AWEZNQCLSA-N 1 1 320.339 3.109 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001142530960 1092496144 /nfs/dbraw/zinc/49/61/44/1092496144.db2.gz MTBITJQVCPPXQQ-AWEZNQCLSA-N 1 1 320.339 3.109 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001142531338 1092497689 /nfs/dbraw/zinc/49/76/89/1092497689.db2.gz VFDZUZBTYRQRMB-CQSZACIVSA-N 1 1 323.314 3.463 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001142531338 1092497698 /nfs/dbraw/zinc/49/76/98/1092497698.db2.gz VFDZUZBTYRQRMB-CQSZACIVSA-N 1 1 323.314 3.463 20 10 DGCDMO CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@](O)(CF)C2)c1O ZINC001143104079 1092615234 /nfs/dbraw/zinc/61/52/34/1092615234.db2.gz PBVLXDUHVYERBT-GOSISDBHSA-N 1 1 309.425 3.376 20 10 DGCDMO COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110600 1092616871 /nfs/dbraw/zinc/61/68/71/1092616871.db2.gz KWKPMKCORKTPPU-HIFRSBDPSA-N 1 1 319.445 3.463 20 10 DGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c1O ZINC001143111117 1092617033 /nfs/dbraw/zinc/61/70/33/1092617033.db2.gz YDQMUDZLXRUTQQ-OAHLLOKOSA-N 1 1 314.433 3.118 20 10 DGCDMO COC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143111847 1092617179 /nfs/dbraw/zinc/61/71/79/1092617179.db2.gz GRKOTMGAWOQRBM-AWEZNQCLSA-N 1 1 319.445 3.465 20 10 DGCDMO CC[C@@H](C[N@@H+](C)Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC001209466473 1092786136 /nfs/dbraw/zinc/78/61/36/1092786136.db2.gz OPWGPVWCNFZDBX-AWEZNQCLSA-N 1 1 308.422 3.127 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001209519947 1092807547 /nfs/dbraw/zinc/80/75/47/1092807547.db2.gz KOCLFLNOTUEBMN-BGYRXZFFSA-N 1 1 309.457 3.373 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001209519947 1092807554 /nfs/dbraw/zinc/80/75/54/1092807554.db2.gz KOCLFLNOTUEBMN-BGYRXZFFSA-N 1 1 309.457 3.373 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001209519947 1092807563 /nfs/dbraw/zinc/80/75/63/1092807563.db2.gz KOCLFLNOTUEBMN-BGYRXZFFSA-N 1 1 309.457 3.373 20 10 DGCDMO Nc1ccc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC001120263949 1094397285 /nfs/dbraw/zinc/39/72/85/1094397285.db2.gz XQQQGRFOGXLBSU-QGZVFWFLSA-N 1 1 310.397 3.377 20 10 DGCDMO CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(O)c1 ZINC001276814083 1095108528 /nfs/dbraw/zinc/10/85/28/1095108528.db2.gz DGGYWGGRMNLPIA-CALCHBBNSA-N 1 1 302.462 3.289 20 10 DGCDMO CC(C)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(O)c1 ZINC001276814083 1095108529 /nfs/dbraw/zinc/10/85/29/1095108529.db2.gz DGGYWGGRMNLPIA-CALCHBBNSA-N 1 1 302.462 3.289 20 10 DGCDMO CC(C)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(O)c1 ZINC001276814083 1095108534 /nfs/dbraw/zinc/10/85/34/1095108534.db2.gz DGGYWGGRMNLPIA-CALCHBBNSA-N 1 1 302.462 3.289 20 10 DGCDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(N)cc1 ZINC000319874446 1095417196 /nfs/dbraw/zinc/41/71/96/1095417196.db2.gz SXYMRUGGGHMQOY-UHFFFAOYSA-N 1 1 311.429 3.428 20 10 DGCDMO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001338928170 1095439735 /nfs/dbraw/zinc/43/97/35/1095439735.db2.gz CCFZCXNOVOOZOM-QWHCGFSZSA-N 1 1 300.805 3.147 20 10 DGCDMO [O-]c1cccc(F)c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161584 1095466840 /nfs/dbraw/zinc/46/68/40/1095466840.db2.gz PULRAIPWFVZVHY-GOSISDBHSA-N 1 1 306.425 3.277 20 10 DGCDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1c(O)ccc3ccncc31)C2 ZINC001116145587 1095469698 /nfs/dbraw/zinc/46/96/98/1095469698.db2.gz JLPDKTNUMCGZJB-UHFFFAOYSA-N 1 1 321.336 3.364 20 10 DGCDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1c(O)ccc3ccncc31)C2 ZINC001116145587 1095469701 /nfs/dbraw/zinc/46/97/01/1095469701.db2.gz JLPDKTNUMCGZJB-UHFFFAOYSA-N 1 1 321.336 3.364 20 10 DGCDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116719510 1095642516 /nfs/dbraw/zinc/64/25/16/1095642516.db2.gz HWYDGLSPXFCNAJ-MDZRGWNJSA-N 1 1 302.462 3.268 20 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JTFCNPQSJCQNFO-GOSISDBHSA-N 1 1 312.413 3.232 20 10 DGCDMO Cc1cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001137859111 1095769152 /nfs/dbraw/zinc/76/91/52/1095769152.db2.gz IXTOKRXZBGJKQT-FXAWDEMLSA-N 1 1 309.457 3.230 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001137859111 1095769161 /nfs/dbraw/zinc/76/91/61/1095769161.db2.gz IXTOKRXZBGJKQT-FXAWDEMLSA-N 1 1 309.457 3.230 20 10 DGCDMO Cc1cc(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001137859111 1095769173 /nfs/dbraw/zinc/76/91/73/1095769173.db2.gz IXTOKRXZBGJKQT-FXAWDEMLSA-N 1 1 309.457 3.230 20 10 DGCDMO CC[NH+]1C[C@H]2CN(Cc3cc(C)n(-c4ccccc4)c3C)C[C@@H]2C1 ZINC001137858957 1095770679 /nfs/dbraw/zinc/77/06/79/1095770679.db2.gz BSDFJHXTBZRNMR-PMACEKPBSA-N 1 1 323.484 3.478 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC001117697500 1095805375 /nfs/dbraw/zinc/80/53/75/1095805375.db2.gz OBGHIUMUVFBJOS-UHFFFAOYSA-N 1 1 311.381 3.154 20 10 DGCDMO Cc1cc(F)ccc1N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138129477 1095898042 /nfs/dbraw/zinc/89/80/42/1095898042.db2.gz FXZWEBXOZLGCDY-UHFFFAOYSA-N 1 1 318.367 3.301 20 10 DGCDMO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)c(OC)c1 ZINC001276995369 1096281186 /nfs/dbraw/zinc/28/11/86/1096281186.db2.gz ZRNRSOVXGMYFEK-IYBDPMFKSA-N 1 1 316.445 3.299 20 10 DGCDMO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc[nH]2)cc1F ZINC001277008824 1096313326 /nfs/dbraw/zinc/31/33/26/1096313326.db2.gz AVLCBGPKJHSVLU-IYBDPMFKSA-N 1 1 315.392 3.016 20 10 DGCDMO CCOC(=O)C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001173662082 1097485630 /nfs/dbraw/zinc/48/56/30/1097485630.db2.gz VAYVPJRNHOMKHK-WMZOPIPTSA-N 1 1 318.461 3.306 20 10 DGCDMO COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2CF)c1O ZINC001231555748 1097779482 /nfs/dbraw/zinc/77/94/82/1097779482.db2.gz RUZKZUFODNACEP-SECBINFHSA-N 1 1 318.186 3.097 20 10 DGCDMO COc1ccc(Br)c(C[N@H+]2CCC[C@@H]2CF)c1O ZINC001231555748 1097779489 /nfs/dbraw/zinc/77/94/89/1097779489.db2.gz RUZKZUFODNACEP-SECBINFHSA-N 1 1 318.186 3.097 20 10 DGCDMO CN1CC[N@@H+](Cc2c(O)ccc3ccccc32)Cc2cccnc21 ZINC001231588734 1097785268 /nfs/dbraw/zinc/78/52/68/1097785268.db2.gz PIRMUPKZVFIUGU-UHFFFAOYSA-N 1 1 319.408 3.392 20 10 DGCDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)[C@@H]1C ZINC001231589933 1097785503 /nfs/dbraw/zinc/78/55/03/1097785503.db2.gz VLNVKRNQAUGCRS-UKRRQHHQSA-N 1 1 313.397 3.319 20 10 DGCDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)[C@H]1C ZINC001231590347 1097785551 /nfs/dbraw/zinc/78/55/51/1097785551.db2.gz VLNVKRNQAUGCRS-DZGCQCFKSA-N 1 1 313.397 3.319 20 10 DGCDMO Cc1cccc(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1O ZINC001231594655 1097787969 /nfs/dbraw/zinc/78/79/69/1097787969.db2.gz MPGZPYJLLLQJGP-AZUAARDMSA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cccc(C)c3O)C2)n1 ZINC001231594918 1097788386 /nfs/dbraw/zinc/78/83/86/1097788386.db2.gz NENVNMBEBDHVCU-QGZVFWFLSA-N 1 1 312.413 3.447 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCC[C@H](Oc3ncccc3C)C2)c1O ZINC001231595177 1097788519 /nfs/dbraw/zinc/78/85/19/1097788519.db2.gz PQUSFDBSPOGVMI-KRWDZBQOSA-N 1 1 312.413 3.447 20 10 DGCDMO COc1cc(F)ccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001231608155 1097791706 /nfs/dbraw/zinc/79/17/06/1097791706.db2.gz IQZSQYXATJSWPZ-UHFFFAOYSA-N 1 1 317.360 3.194 20 10 DGCDMO COc1cc(F)ccc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001231608155 1097791711 /nfs/dbraw/zinc/79/17/11/1097791711.db2.gz IQZSQYXATJSWPZ-UHFFFAOYSA-N 1 1 317.360 3.194 20 10 DGCDMO COc1cc(C[N@@H+](C)CCCc2ccccc2)c(O)cc1O ZINC001231635990 1097796622 /nfs/dbraw/zinc/79/66/22/1097796622.db2.gz IUHRBKCHZBCRPG-UHFFFAOYSA-N 1 1 301.386 3.171 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c(O)cc1O ZINC001231636302 1097797258 /nfs/dbraw/zinc/79/72/58/1097797258.db2.gz SBKIMNDRBXFGBF-LBPRGKRZSA-N 1 1 317.360 3.235 20 10 DGCDMO COc1cc(C[N@@H+]2CCc3cc(Cl)ccc3C2)c(O)cc1O ZINC001231637854 1097798088 /nfs/dbraw/zinc/79/80/88/1097798088.db2.gz TUEKIYBPXRFHKF-UHFFFAOYSA-N 1 1 319.788 3.318 20 10 DGCDMO COc1cc(C[N@H+]2CCc3cc(Cl)ccc3C2)c(O)cc1O ZINC001231637854 1097798089 /nfs/dbraw/zinc/79/80/89/1097798089.db2.gz TUEKIYBPXRFHKF-UHFFFAOYSA-N 1 1 319.788 3.318 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001231674070 1097813553 /nfs/dbraw/zinc/81/35/53/1097813553.db2.gz WMUMWLHXBJZBFC-UHFFFAOYSA-N 1 1 311.429 3.328 20 10 DGCDMO Cc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001231842491 1097859987 /nfs/dbraw/zinc/85/99/87/1097859987.db2.gz NJUBUHTXTISCIT-DOMZBBRYSA-N 1 1 317.351 3.144 20 10 DGCDMO Cc1cc(C)c(C[N@H+]2CC[C@H](Oc3cccc(C)n3)C2)c(O)c1 ZINC001231847558 1097861561 /nfs/dbraw/zinc/86/15/61/1097861561.db2.gz BNFFNQMXOWLTLP-INIZCTEOSA-N 1 1 312.413 3.366 20 10 DGCDMO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231847803 1097861743 /nfs/dbraw/zinc/86/17/43/1097861743.db2.gz DYEQBXVHLXKQFZ-HNNXBMFYSA-N 1 1 305.418 3.174 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCN(C)c3ncccc3C2)cc1Cl ZINC001231869137 1097869969 /nfs/dbraw/zinc/86/99/69/1097869969.db2.gz 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CCOc1cccc(CN(CC)CCC[NH+]2CCCC2)c1O ZINC000289444426 131387138 /nfs/dbraw/zinc/38/71/38/131387138.db2.gz MGALZHGWFXCBKB-UHFFFAOYSA-N 1 1 306.450 3.099 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccccc2N(C)C)c1 ZINC000290151082 131458578 /nfs/dbraw/zinc/45/85/78/131458578.db2.gz LDEZGIZUOPTRTH-UHFFFAOYSA-N 1 1 300.402 3.099 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1O ZINC000290617034 131504096 /nfs/dbraw/zinc/50/40/96/131504096.db2.gz XALJGZJMEUELAM-AWEZNQCLSA-N 1 1 301.390 3.078 20 10 DGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@H]4C[C@H]4C3)cc2)CC1 ZINC000852634131 620636251 /nfs/dbraw/zinc/63/62/51/620636251.db2.gz KQBNJTHCRKNLIO-IRXDYDNUSA-N 1 1 300.446 3.144 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1nccs1 ZINC000157073694 276002827 /nfs/dbraw/zinc/00/28/27/276002827.db2.gz PKQBNTTXSDQDNS-LBPRGKRZSA-N 1 1 319.430 3.088 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1O ZINC000289814566 276379766 /nfs/dbraw/zinc/37/97/66/276379766.db2.gz SZPQCVHWADAXMK-GDBMZVCRSA-N 1 1 307.434 3.306 20 10 DGCDMO C[N@@H+](CC[C@H]1CCOC1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000120057779 431721540 /nfs/dbraw/zinc/72/15/40/431721540.db2.gz FFBVEBQFPULDAK-KRWDZBQOSA-N 1 1 316.445 3.062 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000092780975 431911827 /nfs/dbraw/zinc/91/18/27/431911827.db2.gz GLTSBGHMGQDNPD-IBGZPJMESA-N 1 1 300.446 3.288 20 10 DGCDMO CCCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c(O)c1 ZINC000093644671 431915458 /nfs/dbraw/zinc/91/54/58/431915458.db2.gz MBCAUUZWXDFRJQ-GDBMZVCRSA-N 1 1 306.450 3.096 20 10 DGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000125996881 431940200 /nfs/dbraw/zinc/94/02/00/431940200.db2.gz LMILMFWHGZNEJL-KSSFIOAISA-N 1 1 311.429 3.020 20 10 DGCDMO COc1cc(C[N@H+](C)Cc2ccccc2O)c([N+](=O)[O-])cc1F ZINC000184256817 432373132 /nfs/dbraw/zinc/37/31/32/432373132.db2.gz ITMQIYIGTUNTAN-UHFFFAOYSA-N 1 1 320.320 3.080 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2ccccc2O)c([N+](=O)[O-])cc1F ZINC000184256817 432373137 /nfs/dbraw/zinc/37/31/37/432373137.db2.gz ITMQIYIGTUNTAN-UHFFFAOYSA-N 1 1 320.320 3.080 20 10 DGCDMO OCCC[N@@H+](Cc1cccc(Cl)c1)Cc1ccccc1O ZINC000271472585 432401785 /nfs/dbraw/zinc/40/17/85/432401785.db2.gz ZMSIWQFIMDZIQQ-UHFFFAOYSA-N 1 1 305.805 3.430 20 10 DGCDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1ccccc1O ZINC000271268817 432364705 /nfs/dbraw/zinc/36/47/05/432364705.db2.gz LHNWBBMYECZYSD-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO COCCN(C)CCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185008721 432455820 /nfs/dbraw/zinc/45/58/20/432455820.db2.gz NWSRJKDGIGHPDV-OAHLLOKOSA-N 1 1 316.445 3.164 20 10 DGCDMO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000271586611 432421293 /nfs/dbraw/zinc/42/12/93/432421293.db2.gz XOUQQNOJPFVACF-STQMWFEESA-N 1 1 301.438 3.406 20 10 DGCDMO CCC[N@@H+](Cc1cc(OC)ccc1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271881337 432427284 /nfs/dbraw/zinc/42/72/84/432427284.db2.gz VCMIBZOWTZOLPB-JQHSSLGASA-N 1 1 319.445 3.426 20 10 DGCDMO COc1ccc(O)c([C@H](C)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000185648984 432517976 /nfs/dbraw/zinc/51/79/76/432517976.db2.gz JACKRSQHVOGQIU-AWEZNQCLSA-N 1 1 318.461 3.458 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000185648984 432517978 /nfs/dbraw/zinc/51/79/78/432517978.db2.gz JACKRSQHVOGQIU-AWEZNQCLSA-N 1 1 318.461 3.458 20 10 DGCDMO CN(Cc1ccccc1O)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177677458 432648985 /nfs/dbraw/zinc/64/89/85/432648985.db2.gz HIKCNLNYHJEJHE-INIZCTEOSA-N 1 1 316.445 3.005 20 10 DGCDMO C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215589 432724754 /nfs/dbraw/zinc/72/47/54/432724754.db2.gz BTQBJKINLQTVMY-XLIONFOSSA-N 1 1 315.505 3.449 20 10 DGCDMO Oc1ccccc1C[N@H+](Cc1ccc(F)cn1)C[C@H]1CCCO1 ZINC000276198331 432782249 /nfs/dbraw/zinc/78/22/49/432782249.db2.gz JCVLUEPMWGHOLX-QGZVFWFLSA-N 1 1 316.376 3.108 20 10 DGCDMO CCOc1cccc(C[NH2+][C@H](C)c2nnc([C@H](C)CC)[nH]2)c1O ZINC000277172845 432830106 /nfs/dbraw/zinc/83/01/06/432830106.db2.gz HXDAKGSNNFGYMG-VXGBXAGGSA-N 1 1 318.421 3.273 20 10 DGCDMO CCOc1cccc(C[NH2+][C@@H](C)c2nnc([C@H](C)CC)[nH]2)c1O ZINC000277172830 432830216 /nfs/dbraw/zinc/83/02/16/432830216.db2.gz HXDAKGSNNFGYMG-NEPJUHHUSA-N 1 1 318.421 3.273 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000278240742 432889563 /nfs/dbraw/zinc/88/95/63/432889563.db2.gz NUADWDQMXDEXNV-AAEUAGOBSA-N 1 1 306.362 3.074 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000278240742 432889564 /nfs/dbraw/zinc/88/95/64/432889564.db2.gz NUADWDQMXDEXNV-AAEUAGOBSA-N 1 1 306.362 3.074 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1C ZINC000278308855 432890700 /nfs/dbraw/zinc/89/07/00/432890700.db2.gz DZCURHBOQYNGRC-SWLSCSKDSA-N 1 1 317.351 3.144 20 10 DGCDMO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(C(F)(F)F)cn2)c1 ZINC000296417544 432905430 /nfs/dbraw/zinc/90/54/30/432905430.db2.gz LFCLDMQUZABWDQ-SNVBAGLBSA-N 1 1 311.307 3.360 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(F)cc1O ZINC000289749763 432973420 /nfs/dbraw/zinc/97/34/20/432973420.db2.gz LAVSRYCRNVMLPD-CQSZACIVSA-N 1 1 303.381 3.233 20 10 DGCDMO COCc1nc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)cs1 ZINC000289776655 432975559 /nfs/dbraw/zinc/97/55/59/432975559.db2.gz MKZMWNCULIXNCC-SECBINFHSA-N 1 1 312.822 3.499 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1O ZINC000290402336 433045492 /nfs/dbraw/zinc/04/54/92/433045492.db2.gz JNURCGBQFVWAEI-OAHLLOKOSA-N 1 1 315.417 3.468 20 10 DGCDMO CC[C@H]([NH2+]C1CCN(CCCOC)CC1)c1ccc(C)cc1O ZINC000280282110 433028412 /nfs/dbraw/zinc/02/84/12/433028412.db2.gz YOWBVCIGUYRXBX-SFHVURJKSA-N 1 1 320.477 3.242 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1O ZINC000290369889 433040571 /nfs/dbraw/zinc/04/05/71/433040571.db2.gz ANTWTWCXALTQQI-CQSZACIVSA-N 1 1 321.808 3.088 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC2(CCC2)C1 ZINC000373480747 433154411 /nfs/dbraw/zinc/15/44/11/433154411.db2.gz CGJPIRJDAKBLKI-UHFFFAOYSA-N 1 1 300.446 3.289 20 10 DGCDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000373228797 433137368 /nfs/dbraw/zinc/13/73/68/433137368.db2.gz NDMJGQZWMGCKMN-LLVKDONJSA-N 1 1 323.799 3.298 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000290826739 433180717 /nfs/dbraw/zinc/18/07/17/433180717.db2.gz HERMFQUSRCMAAU-MSOLQXFVSA-N 1 1 317.429 3.324 20 10 DGCDMO OC[C@]1(c2ccccc2)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000291333805 433233476 /nfs/dbraw/zinc/23/34/76/433233476.db2.gz UYRHXCPECYUEHP-SFHVURJKSA-N 1 1 317.816 3.182 20 10 DGCDMO Cn1cc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc2)cn1 ZINC000374644290 433247594 /nfs/dbraw/zinc/24/75/94/433247594.db2.gz GXTFWWHKWPNXHA-FQEVSTJZSA-N 1 1 319.408 3.234 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nnnn1C1CC1 ZINC000282356563 433577547 /nfs/dbraw/zinc/57/75/47/433577547.db2.gz CYCLRPZMVIXNGJ-ZDUSSCGKSA-N 1 1 315.421 3.077 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)[C@@H](C)C1 ZINC000282371589 433585672 /nfs/dbraw/zinc/58/56/72/433585672.db2.gz QHTDCJBPYCYUML-GXFFZTMASA-N 1 1 314.223 3.154 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H]1CCN(C(C)C)C1=O ZINC000282476239 433612319 /nfs/dbraw/zinc/61/23/19/433612319.db2.gz OIAXVYGWUYQABP-INIZCTEOSA-N 1 1 304.434 3.004 20 10 DGCDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000362333923 433652200 /nfs/dbraw/zinc/65/22/00/433652200.db2.gz FOGNDMXTRPGMQG-QGZVFWFLSA-N 1 1 316.424 3.271 20 10 DGCDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000362333882 433652767 /nfs/dbraw/zinc/65/27/67/433652767.db2.gz FFBDZULLTLXYRG-OAHLLOKOSA-N 1 1 305.809 3.425 20 10 DGCDMO CCN(CC)c1ccc(CNc2nc(N(C)C)cc[nH+]2)cc1F ZINC000301722398 433696238 /nfs/dbraw/zinc/69/62/38/433696238.db2.gz KGDPSFCCCUFDSC-UHFFFAOYSA-N 1 1 317.412 3.140 20 10 DGCDMO CCC[N@@H+](Cc1nc(-c2ccccn2)no1)Cc1ccccc1O ZINC000363064276 433961428 /nfs/dbraw/zinc/96/14/28/433961428.db2.gz WZQBFEWLRRDERS-UHFFFAOYSA-N 1 1 324.384 3.249 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000294711481 434129739 /nfs/dbraw/zinc/12/97/39/434129739.db2.gz OSOOLVIPKQHMPB-GOEBONIOSA-N 1 1 322.767 3.200 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000294797319 434145786 /nfs/dbraw/zinc/14/57/86/434145786.db2.gz VSNTWGUQRRGNBP-FUNVUKJBSA-N 1 1 312.816 3.242 20 10 DGCDMO C[NH+](Cc1cc(Cl)c(F)cc1[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294797319 434145803 /nfs/dbraw/zinc/14/58/03/434145803.db2.gz VSNTWGUQRRGNBP-FUNVUKJBSA-N 1 1 312.816 3.242 20 10 DGCDMO C[NH+](Cc1cc(Cl)c(F)cc1[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294797319 434145816 /nfs/dbraw/zinc/14/58/16/434145816.db2.gz VSNTWGUQRRGNBP-FUNVUKJBSA-N 1 1 312.816 3.242 20 10 DGCDMO COc1ncc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc1Cl ZINC000295843757 434438611 /nfs/dbraw/zinc/43/86/11/434438611.db2.gz ARSKDJZBQGHVHX-SECBINFHSA-N 1 1 310.756 3.439 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1O ZINC000293515008 335111249 /nfs/dbraw/zinc/11/12/49/335111249.db2.gz ANDNJVWPGDDUGR-GOSISDBHSA-N 1 1 317.429 3.182 20 10 DGCDMO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000185177311 333205098 /nfs/dbraw/zinc/20/50/98/333205098.db2.gz WFRPNGCDGTWGES-GFCCVEGCSA-N 1 1 316.376 3.132 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000184807576 337200221 /nfs/dbraw/zinc/20/02/21/337200221.db2.gz KHTCFBBVHNJXPU-UHFFFAOYSA-N 1 1 317.820 3.153 20 10 DGCDMO COc1ccc(N2CCC[N@H+](Cc3csc(C)n3)CC2)cc1 ZINC000172319941 534002422 /nfs/dbraw/zinc/00/24/22/534002422.db2.gz DYOMPNFDCYJFBS-UHFFFAOYSA-N 1 1 317.458 3.172 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3csc(C)n3)CC2)cc1 ZINC000172319941 534002430 /nfs/dbraw/zinc/00/24/30/534002430.db2.gz DYOMPNFDCYJFBS-UHFFFAOYSA-N 1 1 317.458 3.172 20 10 DGCDMO CC(C)=CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158079475 519398744 /nfs/dbraw/zinc/39/87/44/519398744.db2.gz BDSCAHXYDSHPPT-OAHLLOKOSA-N 1 1 322.836 3.092 20 10 DGCDMO CCOCCOCC[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000189236046 519993364 /nfs/dbraw/zinc/99/33/64/519993364.db2.gz SDCNUQPTUHPPKB-UHFFFAOYSA-N 1 1 303.402 3.030 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)Cc1nc(N)c2ccccc2n1 ZINC000157057271 521689764 /nfs/dbraw/zinc/68/97/64/521689764.db2.gz CRQAJIWFDVNSKE-UHFFFAOYSA-N 1 1 322.412 3.330 20 10 DGCDMO COCCCOCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000181521070 523403538 /nfs/dbraw/zinc/40/35/38/523403538.db2.gz GRWWMKVTTRTAPN-UHFFFAOYSA-N 1 1 320.477 3.162 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc([C@@H](C)OC)n2)c1 ZINC000182393063 524771333 /nfs/dbraw/zinc/77/13/33/524771333.db2.gz XVPMLCAXGDENGD-WDEREUQCSA-N 1 1 322.430 3.416 20 10 DGCDMO COc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC000131871112 525936781 /nfs/dbraw/zinc/93/67/81/525936781.db2.gz YSVMYCQCSGPNNS-CQSZACIVSA-N 1 1 321.417 3.097 20 10 DGCDMO COc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC000131871112 525936791 /nfs/dbraw/zinc/93/67/91/525936791.db2.gz YSVMYCQCSGPNNS-CQSZACIVSA-N 1 1 321.417 3.097 20 10 DGCDMO Cc1cnc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000180582329 526009349 /nfs/dbraw/zinc/00/93/49/526009349.db2.gz WTJONCBINIDCOV-OAHLLOKOSA-N 1 1 318.442 3.338 20 10 DGCDMO Cc1cnc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000180582329 526009358 /nfs/dbraw/zinc/00/93/58/526009358.db2.gz WTJONCBINIDCOV-OAHLLOKOSA-N 1 1 318.442 3.338 20 10 DGCDMO CCn1cc(CC[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000285037544 536039573 /nfs/dbraw/zinc/03/95/73/536039573.db2.gz NIKWILFJCKREPX-UHFFFAOYSA-N 1 1 314.477 3.422 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CCCS2)c1 ZINC000273610415 536793479 /nfs/dbraw/zinc/79/34/79/536793479.db2.gz VQWDXPTZMNEXCJ-ZBEGNZNMSA-N 1 1 309.431 3.115 20 10 DGCDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2=CC(=O)CS2)C1 ZINC000732293467 574571147 /nfs/dbraw/zinc/57/11/47/574571147.db2.gz KHSROTRPMNLNKJ-LBPRGKRZSA-N 1 1 310.463 3.084 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000741754283 574623286 /nfs/dbraw/zinc/62/32/86/574623286.db2.gz 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3.020 20 10 DGCDMO CCN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000857757533 621118016 /nfs/dbraw/zinc/11/80/16/621118016.db2.gz KQWYGOPJLUGDMZ-INIZCTEOSA-N 1 1 319.493 3.222 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@]1(c2ccccc2)CCCO1 ZINC000922965645 621138544 /nfs/dbraw/zinc/13/85/44/621138544.db2.gz ZOJQXLALZSYVHS-GOSISDBHSA-N 1 1 319.351 3.466 20 10 DGCDMO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)nc1 ZINC000858010997 621143701 /nfs/dbraw/zinc/14/37/01/621143701.db2.gz ITMNRIVOMLXJAG-GOSISDBHSA-N 1 1 311.429 3.109 20 10 DGCDMO CCN(CC)c1ccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858100267 621152782 /nfs/dbraw/zinc/15/27/82/621152782.db2.gz ASVBPFQGIUDRQR-KRWDZBQOSA-N 1 1 303.494 3.495 20 10 DGCDMO CCN(CC)c1ccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858100267 621152784 /nfs/dbraw/zinc/15/27/84/621152784.db2.gz ASVBPFQGIUDRQR-KRWDZBQOSA-N 1 1 303.494 3.495 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000858100267 621152786 /nfs/dbraw/zinc/15/27/86/621152786.db2.gz ASVBPFQGIUDRQR-KRWDZBQOSA-N 1 1 303.494 3.495 20 10 DGCDMO CN(C)c1cc(F)c(C[NH2+]Cc2ccc(Cl)cn2)cc1F ZINC000858155847 621159838 /nfs/dbraw/zinc/15/98/38/621159838.db2.gz PXXVNMROYQRPIQ-UHFFFAOYSA-N 1 1 311.763 3.369 20 10 DGCDMO CN(C)c1cc(F)c(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC000858185928 621162536 /nfs/dbraw/zinc/16/25/36/621162536.db2.gz KGQFVGNTADDWDV-IAGOWNOFSA-N 1 1 323.431 3.137 20 10 DGCDMO CN(C)c1cc(F)c(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC000858185928 621162537 /nfs/dbraw/zinc/16/25/37/621162537.db2.gz KGQFVGNTADDWDV-IAGOWNOFSA-N 1 1 323.431 3.137 20 10 DGCDMO C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000858245104 621167882 /nfs/dbraw/zinc/16/78/82/621167882.db2.gz NDDVRXQVJQQRBP-LJQANCHMSA-N 1 1 315.505 3.498 20 10 DGCDMO C[N@@H+]1CCCC[C@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000858245104 621167886 /nfs/dbraw/zinc/16/78/86/621167886.db2.gz NDDVRXQVJQQRBP-LJQANCHMSA-N 1 1 315.505 3.498 20 10 DGCDMO C[N@H+]1CCCC[C@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000858245104 621167887 /nfs/dbraw/zinc/16/78/87/621167887.db2.gz NDDVRXQVJQQRBP-LJQANCHMSA-N 1 1 315.505 3.498 20 10 DGCDMO CN(C)c1cc(F)c(CNC[C@H]2CC[N@H+]2C2CCCC2)cc1F ZINC000858285021 621171155 /nfs/dbraw/zinc/17/11/55/621171155.db2.gz GVQRAKAZSLGERC-OAHLLOKOSA-N 1 1 323.431 3.137 20 10 DGCDMO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCN2C2CCCC2)cc1F ZINC000858285021 621171158 /nfs/dbraw/zinc/17/11/58/621171158.db2.gz GVQRAKAZSLGERC-OAHLLOKOSA-N 1 1 323.431 3.137 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(F)cc1O ZINC000858478974 621196208 /nfs/dbraw/zinc/19/62/08/621196208.db2.gz FYMSDDQVLFTDOQ-TZMCWYRMSA-N 1 1 316.367 3.302 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccns2)c1 ZINC000858577054 621206031 /nfs/dbraw/zinc/20/60/31/621206031.db2.gz OIRPFNXGDPJSKS-ZJUUUORDSA-N 1 1 306.387 3.047 20 10 DGCDMO CC(=O)c1cc(F)cc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c1O ZINC000859411808 621275241 /nfs/dbraw/zinc/27/52/41/621275241.db2.gz NHERVUJFKZDDMG-UWVGGRQHSA-N 1 1 315.335 3.457 20 10 DGCDMO Cc1cc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)ccc1N(C)C ZINC000859797802 621325616 /nfs/dbraw/zinc/32/56/16/621325616.db2.gz PESOJUTYDHXDHY-UHFFFAOYSA-N 1 1 322.456 3.287 20 10 DGCDMO Cc1cc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)ccc1N(C)C ZINC000859797802 621325620 /nfs/dbraw/zinc/32/56/20/621325620.db2.gz PESOJUTYDHXDHY-UHFFFAOYSA-N 1 1 322.456 3.287 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839187420 621345506 /nfs/dbraw/zinc/34/55/06/621345506.db2.gz IIGRGJVQYIMZKV-MJGOQNOKSA-N 1 1 300.446 3.288 20 10 DGCDMO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C)cc(Br)c1O ZINC000839191275 621347108 /nfs/dbraw/zinc/34/71/08/621347108.db2.gz GIYMSAGUNPAUKF-OLZOCXBDSA-N 1 1 314.223 3.120 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCOC[C@@H](C)C3)c2c1 ZINC000753987859 621476501 /nfs/dbraw/zinc/47/65/01/621476501.db2.gz YESQSVUPSQRDMW-ZDUSSCGKSA-N 1 1 301.386 3.022 20 10 DGCDMO COc1cc(C)cc(CN2CCC[N@H+](C3CCCC3)CC2)c1O ZINC000754742253 621529851 /nfs/dbraw/zinc/52/98/51/621529851.db2.gz USNMWBBUBWYNAW-UHFFFAOYSA-N 1 1 318.461 3.160 20 10 DGCDMO CC(C)OC1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862232109 621564412 /nfs/dbraw/zinc/56/44/12/621564412.db2.gz PITXLDGURMNPTI-UHFFFAOYSA-N 1 1 312.404 3.420 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+](C)[C@@H](CO)c2ccccc2)cc1F ZINC000862384429 621582254 /nfs/dbraw/zinc/58/22/54/621582254.db2.gz YXQDEMFGCVBMOK-SFHVURJKSA-N 1 1 320.383 3.196 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+](C)[C@@H](CO)c2ccccc2)cc1F ZINC000862384429 621582258 /nfs/dbraw/zinc/58/22/58/621582258.db2.gz YXQDEMFGCVBMOK-SFHVURJKSA-N 1 1 320.383 3.196 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1F ZINC000862403359 621585512 /nfs/dbraw/zinc/58/55/12/621585512.db2.gz YVRDUMFNJSPECX-CQSZACIVSA-N 1 1 302.315 3.262 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1F ZINC000862403359 621585515 /nfs/dbraw/zinc/58/55/15/621585515.db2.gz YVRDUMFNJSPECX-CQSZACIVSA-N 1 1 302.315 3.262 20 10 DGCDMO Oc1cccc(Br)c1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000862403175 621585603 /nfs/dbraw/zinc/58/56/03/621585603.db2.gz WVANCMQTTVVIRW-LBPRGKRZSA-N 1 1 318.161 3.386 20 10 DGCDMO C[N@@H+](CC1=CCSC1)Cc1c(O)cccc1Br ZINC000862417374 621587053 /nfs/dbraw/zinc/58/70/53/621587053.db2.gz ARKZFOFUWILKOX-UHFFFAOYSA-N 1 1 314.248 3.260 20 10 DGCDMO CCC([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)(C1CC1)C1CC1 ZINC000862468752 621592882 /nfs/dbraw/zinc/59/28/82/621592882.db2.gz NLTIDEOBQMOCPX-UHFFFAOYSA-N 1 1 320.389 3.367 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000862485141 621594778 /nfs/dbraw/zinc/59/47/78/621594778.db2.gz HSBDAWPSZCKOBZ-WFASDCNBSA-N 1 1 323.408 3.331 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1O ZINC000862540132 621598479 /nfs/dbraw/zinc/59/84/79/621598479.db2.gz ADBBEKUZTVFZDX-OAHLLOKOSA-N 1 1 313.397 3.486 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cc(F)cc(F)c1O ZINC000756352491 621630123 /nfs/dbraw/zinc/63/01/23/621630123.db2.gz TYYXZCAGDJMADZ-CMPLNLGQSA-N 1 1 321.323 3.161 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2ccco2)c1 ZINC000756381169 621633509 /nfs/dbraw/zinc/63/35/09/621633509.db2.gz XTRSYBXELXKYOX-VXGBXAGGSA-N 1 1 303.358 3.054 20 10 DGCDMO COc1ccc(O)c([C@H](C)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000756422733 621637775 /nfs/dbraw/zinc/63/77/75/621637775.db2.gz NLWKZURQECCJSI-XHSDSOJGSA-N 1 1 320.477 3.419 20 10 DGCDMO COc1ccc(O)c([C@H](C)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000756422733 621637779 /nfs/dbraw/zinc/63/77/79/621637779.db2.gz NLWKZURQECCJSI-XHSDSOJGSA-N 1 1 320.477 3.419 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2cccc(C)c2)c1 ZINC000756511213 621643980 /nfs/dbraw/zinc/64/39/80/621643980.db2.gz MIKBCDLZWTWLFC-CQSZACIVSA-N 1 1 313.397 3.381 20 10 DGCDMO CCn1nc(C)c(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1C ZINC000756535625 621645897 /nfs/dbraw/zinc/64/58/97/621645897.db2.gz NTAOAKRXJIRIMH-SECBINFHSA-N 1 1 309.360 3.354 20 10 DGCDMO CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756534668 621646000 /nfs/dbraw/zinc/64/60/00/621646000.db2.gz MFWRXWQTFWGWIN-IUODEOHRSA-N 1 1 306.425 3.401 20 10 DGCDMO CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756555080 621647992 /nfs/dbraw/zinc/64/79/92/621647992.db2.gz RRFQNFOIGMUYPM-SDBXPKJASA-N 1 1 320.202 3.105 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCSC(C)(C)C)c1 ZINC000756681096 621658296 /nfs/dbraw/zinc/65/82/96/621658296.db2.gz FXYOCRIIWFCFDJ-LLVKDONJSA-N 1 1 311.447 3.361 20 10 DGCDMO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756713187 621659576 /nfs/dbraw/zinc/65/95/76/621659576.db2.gz VWMMOGDFACQNTQ-IIYDPXPESA-N 1 1 303.377 3.347 20 10 DGCDMO C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1ccc(F)cc1O ZINC000756713185 621659814 /nfs/dbraw/zinc/65/98/14/621659814.db2.gz VWMMOGDFACQNTQ-GDZNZVCISA-N 1 1 303.377 3.347 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(C)cc2)c1 ZINC000756710483 621659914 /nfs/dbraw/zinc/65/99/14/621659914.db2.gz CPPQWOYNPZBCSI-CQSZACIVSA-N 1 1 313.397 3.381 20 10 DGCDMO CSC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)CCOCC1 ZINC000756733989 621661488 /nfs/dbraw/zinc/66/14/88/621661488.db2.gz SOBRREMVNKXVIP-SNVBAGLBSA-N 1 1 317.401 3.233 20 10 DGCDMO C[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccc(F)cc1O ZINC000756763262 621662592 /nfs/dbraw/zinc/66/25/92/621662592.db2.gz WIPUAERFZWJMEE-GXTWGEPZSA-N 1 1 317.360 3.412 20 10 DGCDMO Cc1cc(C[C@H](C)[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)n[nH]1 ZINC000756764331 621662911 /nfs/dbraw/zinc/66/29/11/621662911.db2.gz GGSHYFICUVYOAF-BHDSKKPTSA-N 1 1 303.381 3.332 20 10 DGCDMO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C2 ZINC000756774578 621663959 /nfs/dbraw/zinc/66/39/59/621663959.db2.gz KBKWPFHDYNPMJO-FZMZJTMJSA-N 1 1 317.360 3.194 20 10 DGCDMO COC[C@]1(C)C[N@@H+](Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000863339908 621664411 /nfs/dbraw/zinc/66/44/11/621664411.db2.gz GGWGZPNQKPQLCT-SFHVURJKSA-N 1 1 307.434 3.061 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000756845333 621667925 /nfs/dbraw/zinc/66/79/25/621667925.db2.gz UBNCTLCQNSGEFS-ITDKRANNSA-N 1 1 303.402 3.408 20 10 DGCDMO [NH3+]C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1C(F)(F)F ZINC000863645973 621693384 /nfs/dbraw/zinc/69/33/84/621693384.db2.gz OZHJDYCLPVBECJ-GHMZBOCLSA-N 1 1 322.758 3.005 20 10 DGCDMO [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1C(F)(F)F ZINC000863645973 621693388 /nfs/dbraw/zinc/69/33/88/621693388.db2.gz OZHJDYCLPVBECJ-GHMZBOCLSA-N 1 1 322.758 3.005 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cncc(F)c2)c1 ZINC000757640831 621730673 /nfs/dbraw/zinc/73/06/73/621730673.db2.gz VBANEELDYAXJOW-WDEREUQCSA-N 1 1 318.348 3.125 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000757865453 621743682 /nfs/dbraw/zinc/74/36/82/621743682.db2.gz GPKIGEWQFRMYRT-NVXWUHKLSA-N 1 1 307.434 3.020 20 10 DGCDMO Oc1cccc2c1C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C2 ZINC000758546595 621788061 /nfs/dbraw/zinc/78/80/61/621788061.db2.gz QJKVANUMBBOXQN-JTQLQIEISA-N 1 1 307.752 3.147 20 10 DGCDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000759157661 621829908 /nfs/dbraw/zinc/82/99/08/621829908.db2.gz GEDGRDNFGYZBCY-SFHVURJKSA-N 1 1 311.429 3.260 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000865690136 621978445 /nfs/dbraw/zinc/97/84/45/621978445.db2.gz WERYCQCSIZZWTI-GIPNMCIBSA-N 1 1 314.223 3.119 20 10 DGCDMO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)CC1(C)OCCO1 ZINC000866427019 622116618 /nfs/dbraw/zinc/11/66/18/622116618.db2.gz GWNDAMQUVFWDAG-RYUDHWBXSA-N 1 1 313.825 3.485 20 10 DGCDMO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cccc(C(F)(F)F)c1O ZINC000866442259 622118561 /nfs/dbraw/zinc/11/85/61/622118561.db2.gz HYGCRZWVGNZEBW-XCBNKYQSSA-N 1 1 313.266 3.078 20 10 DGCDMO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1cccc(C(F)(F)F)c1O ZINC000866442260 622118754 /nfs/dbraw/zinc/11/87/54/622118754.db2.gz HYGCRZWVGNZEBW-XVKPBYJWSA-N 1 1 313.266 3.078 20 10 DGCDMO Oc1c(Br)cccc1C[NH2+]CCOCC1CCC1 ZINC000764978427 622237303 /nfs/dbraw/zinc/23/73/03/622237303.db2.gz ZJUHNFHDFPVWCG-UHFFFAOYSA-N 1 1 314.223 3.061 20 10 DGCDMO Cc1cc(C)cc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)c1 ZINC000766090127 622304941 /nfs/dbraw/zinc/30/49/41/622304941.db2.gz HWRGXTVJHAJQTN-GOSISDBHSA-N 1 1 313.397 3.067 20 10 DGCDMO COc1cc(Br)cc(C[N@@H+](C)CC2CC2)c1O ZINC000122889942 622426678 /nfs/dbraw/zinc/42/66/78/622426678.db2.gz ROIINHTZLUZQBK-UHFFFAOYSA-N 1 1 300.196 3.005 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](CCO)C2CCCC2)cc1F ZINC000768139169 622441535 /nfs/dbraw/zinc/44/15/35/622441535.db2.gz XEBDHVBDRAMYFI-UHFFFAOYSA-N 1 1 308.441 3.409 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](C)CCOc1cccc(C)c1 ZINC000768213793 622445385 /nfs/dbraw/zinc/44/53/85/622445385.db2.gz SVUNJZCFHKRUDL-UHFFFAOYSA-N 1 1 301.386 3.220 20 10 DGCDMO C[N@@H+](Cc1ccc(Cl)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000768209579 622445413 /nfs/dbraw/zinc/44/54/13/622445413.db2.gz ZFNYZNJOTZQIMS-UHFFFAOYSA-N 1 1 320.820 3.402 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+](C)CC(=O)NC(C)C)cc1 ZINC000768204452 622445430 /nfs/dbraw/zinc/44/54/30/622445430.db2.gz ZOSABZLXAHBYDL-UHFFFAOYSA-N 1 1 319.493 3.269 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@@H+](C)CC(=O)NC(C)C)cc1 ZINC000768204452 622445431 /nfs/dbraw/zinc/44/54/31/622445431.db2.gz ZOSABZLXAHBYDL-UHFFFAOYSA-N 1 1 319.493 3.269 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](n3ccnc3)C1)CCCC2 ZINC000768449424 622456811 /nfs/dbraw/zinc/45/68/11/622456811.db2.gz ZGKONDHLQPWTLW-GOSISDBHSA-N 1 1 311.429 3.305 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](N3CCCCC3)C1)CCCC2 ZINC000768452717 622457410 /nfs/dbraw/zinc/45/74/10/622457410.db2.gz RLVJCYNPMOVTLM-LJQANCHMSA-N 1 1 314.473 3.331 20 10 DGCDMO Oc1cc2c(cc1CN1CC[C@@H]([NH+]3CCCCC3)C1)CCCC2 ZINC000768452717 622457411 /nfs/dbraw/zinc/45/74/11/622457411.db2.gz RLVJCYNPMOVTLM-LJQANCHMSA-N 1 1 314.473 3.331 20 10 DGCDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768463620 622458031 /nfs/dbraw/zinc/45/80/31/622458031.db2.gz KNAQKBBHTFTBLD-RHSMWYFYSA-N 1 1 305.418 3.219 20 10 DGCDMO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768464246 622458300 /nfs/dbraw/zinc/45/83/00/622458300.db2.gz PIWGHTOFFFZRBR-CYBMUJFWSA-N 1 1 305.418 3.043 20 10 DGCDMO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768464246 622458302 /nfs/dbraw/zinc/45/83/02/622458302.db2.gz PIWGHTOFFFZRBR-CYBMUJFWSA-N 1 1 305.418 3.043 20 10 DGCDMO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N(CC)CC)cc1 ZINC000768532325 622462392 /nfs/dbraw/zinc/46/23/92/622462392.db2.gz FGIJQWZLHKILHJ-QGZVFWFLSA-N 1 1 304.434 3.060 20 10 DGCDMO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N(CC)CC)cc1 ZINC000768532325 622462393 /nfs/dbraw/zinc/46/23/93/622462393.db2.gz FGIJQWZLHKILHJ-QGZVFWFLSA-N 1 1 304.434 3.060 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2c(O)cccc2OC)cc(OC)c1 ZINC000768545241 622463792 /nfs/dbraw/zinc/46/37/92/622463792.db2.gz WFULBVCOLFNWOX-UHFFFAOYSA-N 1 1 317.385 3.050 20 10 DGCDMO CCOc1ccc(C[N@@H+](CCOC)Cc2ccco2)c(O)c1 ZINC000768586150 622465798 /nfs/dbraw/zinc/46/57/98/622465798.db2.gz IYDZWZUITFVFOD-UHFFFAOYSA-N 1 1 305.374 3.033 20 10 DGCDMO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000768929534 622486042 /nfs/dbraw/zinc/48/60/42/622486042.db2.gz IXRPWMNWGRBSST-LBPRGKRZSA-N 1 1 313.353 3.077 20 10 DGCDMO Cc1nccc([C@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000768942393 622487104 /nfs/dbraw/zinc/48/71/04/622487104.db2.gz ZBIXYDMJIMQCTL-KRWDZBQOSA-N 1 1 310.445 3.231 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC000768979610 622489782 /nfs/dbraw/zinc/48/97/82/622489782.db2.gz DHXKRYSQZWQYDX-KDURUIRLSA-N 1 1 321.468 3.321 20 10 DGCDMO CC[N@@H+](CCC(=O)OC)Cc1cc(-c2ccccc2)ccc1O ZINC000768993350 622490514 /nfs/dbraw/zinc/49/05/14/622490514.db2.gz VCKRWNDQLXKOCZ-UHFFFAOYSA-N 1 1 313.397 3.444 20 10 DGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000769224883 622508954 /nfs/dbraw/zinc/50/89/54/622508954.db2.gz ZXWJNWSBZKEYFD-CABCVRRESA-N 1 1 306.425 3.283 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCN(C)c3ccccc3C2)c1 ZINC000769320705 622517011 /nfs/dbraw/zinc/51/70/11/622517011.db2.gz URPJQRBTJKGLGM-UHFFFAOYSA-N 1 1 312.413 3.243 20 10 DGCDMO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000769326405 622517980 /nfs/dbraw/zinc/51/79/80/622517980.db2.gz LLXVBWJTYVCFMN-QGZVFWFLSA-N 1 1 319.468 3.340 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(C3CC3)C2)cc1F ZINC000769326405 622517981 /nfs/dbraw/zinc/51/79/81/622517981.db2.gz LLXVBWJTYVCFMN-QGZVFWFLSA-N 1 1 319.468 3.340 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC3)C2)cc1F ZINC000769326405 622517983 /nfs/dbraw/zinc/51/79/83/622517983.db2.gz LLXVBWJTYVCFMN-QGZVFWFLSA-N 1 1 319.468 3.340 20 10 DGCDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1c(O)cccc1OC ZINC000769326911 622518020 /nfs/dbraw/zinc/51/80/20/622518020.db2.gz QTNFMZMHVPFYKC-CQSZACIVSA-N 1 1 315.413 3.472 20 10 DGCDMO CCC[N@H+](Cc1cccc(Br)c1O)CC(C)(C)O ZINC000769327382 622518173 /nfs/dbraw/zinc/51/81/73/622518173.db2.gz YJASCLCABDTMKF-UHFFFAOYSA-N 1 1 316.239 3.138 20 10 DGCDMO CCC[N@@H+](Cc1cccc(Br)c1O)CC(C)(C)O ZINC000769327382 622518177 /nfs/dbraw/zinc/51/81/77/622518177.db2.gz YJASCLCABDTMKF-UHFFFAOYSA-N 1 1 316.239 3.138 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)CCN(C)c2ccccc2)c1 ZINC000769381239 622522732 /nfs/dbraw/zinc/52/27/32/622522732.db2.gz NIRKIPLIVIZTID-UHFFFAOYSA-N 1 1 314.429 3.359 20 10 DGCDMO CC[N@H+]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C ZINC000769382052 622523361 /nfs/dbraw/zinc/52/33/61/622523361.db2.gz SYTSMGVDMHBYTM-KRWDZBQOSA-N 1 1 301.478 3.203 20 10 DGCDMO CCN1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C ZINC000769382052 622523364 /nfs/dbraw/zinc/52/33/64/622523364.db2.gz SYTSMGVDMHBYTM-KRWDZBQOSA-N 1 1 301.478 3.203 20 10 DGCDMO CCN1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C ZINC000769382052 622523367 /nfs/dbraw/zinc/52/33/67/622523367.db2.gz SYTSMGVDMHBYTM-KRWDZBQOSA-N 1 1 301.478 3.203 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000769399365 622524482 /nfs/dbraw/zinc/52/44/82/622524482.db2.gz PKGVBHPHCURGLH-LJQANCHMSA-N 1 1 313.397 3.148 20 10 DGCDMO CCn1cc(C[N@@H+](C)Cc2cc(Br)ccc2O)cn1 ZINC000769428995 622527140 /nfs/dbraw/zinc/52/71/40/622527140.db2.gz XXKGHNJDCMAAFH-UHFFFAOYSA-N 1 1 324.222 3.003 20 10 DGCDMO COc1ccc(-n2c(C)cc(C[N@@H+](C)Cc3cn[nH]c3)c2C)cc1 ZINC000769425379 622527329 /nfs/dbraw/zinc/52/73/29/622527329.db2.gz PGCWKMINJIIJMF-UHFFFAOYSA-N 1 1 324.428 3.458 20 10 DGCDMO C[C@@H]1SCC[N@@H+](Cc2cc(Br)ccc2O)[C@H]1C ZINC000769447016 622528497 /nfs/dbraw/zinc/52/84/97/622528497.db2.gz RLYCYXKKQUFTJO-UWVGGRQHSA-N 1 1 316.264 3.481 20 10 DGCDMO Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000769464416 622530011 /nfs/dbraw/zinc/53/00/11/622530011.db2.gz WNLPJKGZUPCTQP-CQSZACIVSA-N 1 1 313.397 3.492 20 10 DGCDMO CCOc1cccc(C[N@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)c1O ZINC000769470049 622530628 /nfs/dbraw/zinc/53/06/28/622530628.db2.gz JIDRSGLZVGVYHW-GOEBONIOSA-N 1 1 306.450 3.096 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)c1O ZINC000769470049 622530629 /nfs/dbraw/zinc/53/06/29/622530629.db2.gz JIDRSGLZVGVYHW-GOEBONIOSA-N 1 1 306.450 3.096 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000769483264 622532218 /nfs/dbraw/zinc/53/22/18/622532218.db2.gz HHPMGUIMRWZUOL-GOSISDBHSA-N 1 1 305.418 3.184 20 10 DGCDMO CN(C)c1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1F ZINC000769482942 622532415 /nfs/dbraw/zinc/53/24/15/622532415.db2.gz LSLZIQLOPWTGAU-INIZCTEOSA-N 1 1 307.457 3.198 20 10 DGCDMO CC[N@H+](Cc1c(O)cccc1OC)C[C@@H](O)c1ccc(C)cc1 ZINC000769481489 622532515 /nfs/dbraw/zinc/53/25/15/622532515.db2.gz BGRSIPXULSFAFA-GOSISDBHSA-N 1 1 315.413 3.265 20 10 DGCDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000769494942 622533856 /nfs/dbraw/zinc/53/38/56/622533856.db2.gz CBEKDRZYYLBGND-CVEARBPZSA-N 1 1 324.852 3.267 20 10 DGCDMO CCOc1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(O)c1 ZINC000769498105 622534126 /nfs/dbraw/zinc/53/41/26/622534126.db2.gz GGQSIANSDCMKSL-INIZCTEOSA-N 1 1 318.461 3.099 20 10 DGCDMO COc1cccc(O)c1C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000769513385 622536430 /nfs/dbraw/zinc/53/64/30/622536430.db2.gz CKXBMYKPTRJJGM-INIZCTEOSA-N 1 1 305.399 3.036 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000769513385 622536432 /nfs/dbraw/zinc/53/64/32/622536432.db2.gz CKXBMYKPTRJJGM-INIZCTEOSA-N 1 1 305.399 3.036 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000769548146 622539617 /nfs/dbraw/zinc/53/96/17/622539617.db2.gz FZGUDFPRWFUSQI-YJBOKZPZSA-N 1 1 307.434 3.426 20 10 DGCDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1O ZINC000770504530 622640313 /nfs/dbraw/zinc/64/03/13/622640313.db2.gz IJPPRGIEEZUEDH-HIFRSBDPSA-N 1 1 320.433 3.270 20 10 DGCDMO CCC(CC)(CC)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771841541 622801196 /nfs/dbraw/zinc/80/11/96/622801196.db2.gz JDCRWMVYSYTCCH-UHFFFAOYSA-N 1 1 303.494 3.497 20 10 DGCDMO C[N@H+](Cc1cccc(O)c1)Cc1cccc(Br)c1O ZINC000771934580 622819257 /nfs/dbraw/zinc/81/92/57/622819257.db2.gz AXXUFPOOPBJVNB-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO C[N@@H+](Cc1cccc(O)c1)Cc1cccc(Br)c1O ZINC000771934580 622819263 /nfs/dbraw/zinc/81/92/63/622819263.db2.gz AXXUFPOOPBJVNB-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872254534 622867952 /nfs/dbraw/zinc/86/79/52/622867952.db2.gz HDASWCASLXRNRT-MRXNPFEDSA-N 1 1 307.340 3.401 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC1CCCCC1 ZINC000772798100 622941325 /nfs/dbraw/zinc/94/13/25/622941325.db2.gz OEQLWEPCEDZMCV-HNNXBMFYSA-N 1 1 318.461 3.442 20 10 DGCDMO C[C@H]([NH2+]Cc1ccn(C)n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000773128168 622989118 /nfs/dbraw/zinc/98/91/18/622989118.db2.gz BGBNFLNUVYTRDJ-AWEZNQCLSA-N 1 1 316.424 3.400 20 10 DGCDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000773325554 623012706 /nfs/dbraw/zinc/01/27/06/623012706.db2.gz HTJFIHTWWSGYKY-IBGZPJMESA-N 1 1 319.445 3.420 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000773753311 623067701 /nfs/dbraw/zinc/06/77/01/623067701.db2.gz GBFCWPXENGMVAY-KRWDZBQOSA-N 1 1 318.461 3.449 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000773753311 623067708 /nfs/dbraw/zinc/06/77/08/623067708.db2.gz GBFCWPXENGMVAY-KRWDZBQOSA-N 1 1 318.461 3.449 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000773811172 623074182 /nfs/dbraw/zinc/07/41/82/623074182.db2.gz WWOGFCBDMXVSPC-ROUUACIJSA-N 1 1 302.462 3.391 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](CCOC)Cc2cccnc2)cc1 ZINC000773870097 623081658 /nfs/dbraw/zinc/08/16/58/623081658.db2.gz WKMGAMUVHVCWIZ-UHFFFAOYSA-N 1 1 313.445 3.186 20 10 DGCDMO COc1c([O-])c(C[N@H+]2CCC[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000774834020 623197192 /nfs/dbraw/zinc/19/71/92/623197192.db2.gz SDIHEERCOJXKPC-ZDUSSCGKSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCC[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000774834020 623197195 /nfs/dbraw/zinc/19/71/95/623197195.db2.gz SDIHEERCOJXKPC-ZDUSSCGKSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCC[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000774834020 623197198 /nfs/dbraw/zinc/19/71/98/623197198.db2.gz SDIHEERCOJXKPC-ZDUSSCGKSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000774854623 623200536 /nfs/dbraw/zinc/20/05/36/623200536.db2.gz YKHCRQDSZKTVPJ-CQSZACIVSA-N 1 1 320.389 3.464 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000774854623 623200540 /nfs/dbraw/zinc/20/05/40/623200540.db2.gz YKHCRQDSZKTVPJ-CQSZACIVSA-N 1 1 320.389 3.464 20 10 DGCDMO COc1c(O)c(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000775028247 623218483 /nfs/dbraw/zinc/21/84/83/623218483.db2.gz OPZYWSMLCIWXSH-GHMZBOCLSA-N 1 1 308.378 3.223 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000775059030 623223820 /nfs/dbraw/zinc/22/38/20/623223820.db2.gz HIUFGHFKWORFNK-DMDPSCGWSA-N 1 1 308.378 3.223 20 10 DGCDMO CC(C)n1cc(C[NH2+]Cc2cccc(Br)c2O)cn1 ZINC000775151416 623235878 /nfs/dbraw/zinc/23/58/78/623235878.db2.gz FTATVKWJFFDSAL-UHFFFAOYSA-N 1 1 324.222 3.222 20 10 DGCDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1cccc(OC)c1O ZINC000775184967 623239434 /nfs/dbraw/zinc/23/94/34/623239434.db2.gz UFEKRBRQSXQSLY-GOSISDBHSA-N 1 1 321.417 3.099 20 10 DGCDMO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775649397 623303136 /nfs/dbraw/zinc/30/31/36/623303136.db2.gz QXLBPWLPOXOHJF-FXAWDEMLSA-N 1 1 315.505 3.449 20 10 DGCDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775649397 623303138 /nfs/dbraw/zinc/30/31/38/623303138.db2.gz QXLBPWLPOXOHJF-FXAWDEMLSA-N 1 1 315.505 3.449 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+](C)C(C3CC3)C3CC3)cc2)CC1 ZINC000775668445 623309430 /nfs/dbraw/zinc/30/94/30/623309430.db2.gz ZVFNMUXJXPSOID-UHFFFAOYSA-N 1 1 313.489 3.059 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+](C)C(C3CC3)C3CC3)cc2)CC1 ZINC000775668445 623309435 /nfs/dbraw/zinc/30/94/35/623309435.db2.gz ZVFNMUXJXPSOID-UHFFFAOYSA-N 1 1 313.489 3.059 20 10 DGCDMO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000125086083 623309723 /nfs/dbraw/zinc/30/97/23/623309723.db2.gz HMJQXMNJHDKZDO-BETUJISGSA-N 1 1 307.434 3.308 20 10 DGCDMO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775702750 623315644 /nfs/dbraw/zinc/31/56/44/623315644.db2.gz WLTHQWKBLWLTPL-DLBZAZTESA-N 1 1 301.478 3.059 20 10 DGCDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775702750 623315648 /nfs/dbraw/zinc/31/56/48/623315648.db2.gz WLTHQWKBLWLTPL-DLBZAZTESA-N 1 1 301.478 3.059 20 10 DGCDMO CSCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775715118 623318609 /nfs/dbraw/zinc/31/86/09/623318609.db2.gz WMYZXYSIRGDCTH-MRXNPFEDSA-N 1 1 321.534 3.012 20 10 DGCDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775715118 623318613 /nfs/dbraw/zinc/31/86/13/623318613.db2.gz WMYZXYSIRGDCTH-MRXNPFEDSA-N 1 1 321.534 3.012 20 10 DGCDMO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775998183 623362426 /nfs/dbraw/zinc/36/24/26/623362426.db2.gz DSLQLOWRMGPSCY-VQIMIIECSA-N 1 1 301.478 3.059 20 10 DGCDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775998183 623362429 /nfs/dbraw/zinc/36/24/29/623362429.db2.gz DSLQLOWRMGPSCY-VQIMIIECSA-N 1 1 301.478 3.059 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000776693102 623452546 /nfs/dbraw/zinc/45/25/46/623452546.db2.gz SJTBYFVMHBVXIG-HXUWFJFHSA-N 1 1 310.441 3.196 20 10 DGCDMO COc1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000776773616 623461330 /nfs/dbraw/zinc/46/13/30/623461330.db2.gz UDIPIRLXDZGEQS-QGZVFWFLSA-N 1 1 319.445 3.309 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CCOCC1)CCC2 ZINC000776772621 623461429 /nfs/dbraw/zinc/46/14/29/623461429.db2.gz QBXWFJMIKNNQEE-GOSISDBHSA-N 1 1 301.430 3.272 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000777223430 623506988 /nfs/dbraw/zinc/50/69/88/623506988.db2.gz YPFPFNFGFVBPGV-IBGZPJMESA-N 1 1 300.446 3.288 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)cc1F ZINC000777223546 623507329 /nfs/dbraw/zinc/50/73/29/623507329.db2.gz ZEZVAZVDEJAHRZ-SFHVURJKSA-N 1 1 306.425 3.283 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cc1F ZINC000777223546 623507332 /nfs/dbraw/zinc/50/73/32/623507332.db2.gz ZEZVAZVDEJAHRZ-SFHVURJKSA-N 1 1 306.425 3.283 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@H](C(C)C)C3)c2c1 ZINC000777969549 623593427 /nfs/dbraw/zinc/59/34/27/623593427.db2.gz RWVGKFBZORIUBF-IBGZPJMESA-N 1 1 315.413 3.411 20 10 DGCDMO CCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1CC1 ZINC000876510149 623630039 /nfs/dbraw/zinc/63/00/39/623630039.db2.gz KLNLJZHAQQIDOS-UHFFFAOYSA-N 1 1 302.462 3.270 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(O)c1 ZINC000876552338 623641471 /nfs/dbraw/zinc/64/14/71/623641471.db2.gz RJAHELBWDCBQMD-INIZCTEOSA-N 1 1 322.412 3.123 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c(O)c1 ZINC000876611799 623659582 /nfs/dbraw/zinc/65/95/82/623659582.db2.gz RYOYCFPVECWLCJ-ZDUSSCGKSA-N 1 1 303.324 3.244 20 10 DGCDMO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)c(O)c1 ZINC000876682785 623681526 /nfs/dbraw/zinc/68/15/26/623681526.db2.gz OGYGLXSVHMBTCB-SFHVURJKSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1ccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)c(O)c1 ZINC000876682785 623681527 /nfs/dbraw/zinc/68/15/27/623681527.db2.gz OGYGLXSVHMBTCB-SFHVURJKSA-N 1 1 301.361 3.413 20 10 DGCDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876753209 623697880 /nfs/dbraw/zinc/69/78/80/623697880.db2.gz CHMZEPNWMRYHAB-OAHLLOKOSA-N 1 1 322.518 3.221 20 10 DGCDMO Cc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)c(O)c1 ZINC000877425016 623876843 /nfs/dbraw/zinc/87/68/43/623876843.db2.gz WSUBXNLSFRZIJU-UHFFFAOYSA-N 1 1 304.390 3.294 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000877514531 623918562 /nfs/dbraw/zinc/91/85/62/623918562.db2.gz MPJVEGQHIPBBGQ-UHFFFAOYSA-N 1 1 300.358 3.283 20 10 DGCDMO COc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1OC1CC1 ZINC000877703280 623998855 /nfs/dbraw/zinc/99/88/55/623998855.db2.gz ZVLJEQLDVWDNLX-UHFFFAOYSA-N 1 1 311.381 3.458 20 10 DGCDMO COc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1OC1CC1 ZINC000877703280 623998857 /nfs/dbraw/zinc/99/88/57/623998857.db2.gz ZVLJEQLDVWDNLX-UHFFFAOYSA-N 1 1 311.381 3.458 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CN2CCC1CC2 ZINC000877706956 623999807 /nfs/dbraw/zinc/99/98/07/623999807.db2.gz VRBCZBCIRLWEGD-HXUWFJFHSA-N 1 1 313.489 3.203 20 10 DGCDMO CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000877706956 623999811 /nfs/dbraw/zinc/99/98/11/623999811.db2.gz VRBCZBCIRLWEGD-HXUWFJFHSA-N 1 1 313.489 3.203 20 10 DGCDMO COc1ccc([C@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)cc1 ZINC000877757239 624022701 /nfs/dbraw/zinc/02/27/01/624022701.db2.gz GQCWDNXVRGMVBP-GOSISDBHSA-N 1 1 317.360 3.113 20 10 DGCDMO COc1ccc([C@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)cc1 ZINC000877757239 624022704 /nfs/dbraw/zinc/02/27/04/624022704.db2.gz GQCWDNXVRGMVBP-GOSISDBHSA-N 1 1 317.360 3.113 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000877820899 624051375 /nfs/dbraw/zinc/05/13/75/624051375.db2.gz KAYVMGMYPOGBIH-OAHLLOKOSA-N 1 1 316.367 3.214 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)cc1OC ZINC000781585831 624098791 /nfs/dbraw/zinc/09/87/91/624098791.db2.gz IRBAAXNLECOQIY-SCLBCKFNSA-N 1 1 305.418 3.422 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]CCc2ccco2)c1 ZINC000781624608 624108995 /nfs/dbraw/zinc/10/89/95/624108995.db2.gz LCURGKCZLFPLLS-UHFFFAOYSA-N 1 1 310.191 3.388 20 10 DGCDMO Cc1cc(Br)c([O-])c(C[N@@H+]2CCCOC[C@H]2C)c1 ZINC000781914739 624170415 /nfs/dbraw/zinc/17/04/15/624170415.db2.gz ZHWWCGRPKKCQFR-LLVKDONJSA-N 1 1 314.223 3.074 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCCOC[C@H]2C)c1 ZINC000781914739 624170421 /nfs/dbraw/zinc/17/04/21/624170421.db2.gz ZHWWCGRPKKCQFR-LLVKDONJSA-N 1 1 314.223 3.074 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)[C@H](C)c1nc(C(=O)OC)co1 ZINC000878150297 624190476 /nfs/dbraw/zinc/19/04/76/624190476.db2.gz CPPWYANYWGFHNZ-GFCCVEGCSA-N 1 1 318.373 3.140 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1nc(C(=O)OC)co1 ZINC000878150297 624190477 /nfs/dbraw/zinc/19/04/77/624190477.db2.gz CPPWYANYWGFHNZ-GFCCVEGCSA-N 1 1 318.373 3.140 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCCN(Cc3ccccc3)CC2)c1 ZINC000127316959 624351274 /nfs/dbraw/zinc/35/12/74/624351274.db2.gz WEUDAHKDROREHN-UHFFFAOYSA-N 1 1 310.441 3.409 20 10 DGCDMO Cc1ccc(O)c(CN2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000127316959 624351279 /nfs/dbraw/zinc/35/12/79/624351279.db2.gz WEUDAHKDROREHN-UHFFFAOYSA-N 1 1 310.441 3.409 20 10 DGCDMO Cc1ccc(O)c(CN2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000127316959 624351282 /nfs/dbraw/zinc/35/12/82/624351282.db2.gz WEUDAHKDROREHN-UHFFFAOYSA-N 1 1 310.441 3.409 20 10 DGCDMO Oc1ccccc1C[N@@H+](CC[C@H]1CCOC1)Cc1ccco1 ZINC000783498970 624359354 /nfs/dbraw/zinc/35/93/54/624359354.db2.gz YNXBWPZGMIFVMI-HNNXBMFYSA-N 1 1 301.386 3.414 20 10 DGCDMO CN(C)C1(C[N@@H+](C)Cc2cc3c(cc2O)CCCC3)CCC1 ZINC000783548243 624364434 /nfs/dbraw/zinc/36/44/34/624364434.db2.gz GUUOBLRYUQHBBI-UHFFFAOYSA-N 1 1 302.462 3.187 20 10 DGCDMO CN(Cc1cc2c(cc1O)CCCC2)CC1([NH+](C)C)CCC1 ZINC000783548243 624364436 /nfs/dbraw/zinc/36/44/36/624364436.db2.gz GUUOBLRYUQHBBI-UHFFFAOYSA-N 1 1 302.462 3.187 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](O)C(C)(C)C2)cc1F ZINC000783727815 624388189 /nfs/dbraw/zinc/38/81/89/624388189.db2.gz FOKGCJVENIDUKS-KRWDZBQOSA-N 1 1 308.441 3.265 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@]2(C)CCO[C@@H]2C)c1 ZINC000784640126 624564023 /nfs/dbraw/zinc/56/40/23/624564023.db2.gz LKCZJGMDCLCPGF-YGRLFVJLSA-N 1 1 314.223 3.120 20 10 DGCDMO C[N@H+]1CCC[C@H]1CCN(Cc1ccco1)Cc1ccccc1O ZINC000128379510 624939111 /nfs/dbraw/zinc/93/91/11/624939111.db2.gz IYRJCENYOGDHKR-KRWDZBQOSA-N 1 1 314.429 3.472 20 10 DGCDMO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+](C)Cc1ccccc1O ZINC000128445548 624965403 /nfs/dbraw/zinc/96/54/03/624965403.db2.gz CDANLEYHGFHCKR-AWEZNQCLSA-N 1 1 308.385 3.166 20 10 DGCDMO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)Cc1ccccc1O ZINC000128445548 624965406 /nfs/dbraw/zinc/96/54/06/624965406.db2.gz CDANLEYHGFHCKR-AWEZNQCLSA-N 1 1 308.385 3.166 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](CCC(C)(C)OC)CC2)cc1 ZINC000787182382 624985914 /nfs/dbraw/zinc/98/59/14/624985914.db2.gz FXGJBCIJGZMCFO-UHFFFAOYSA-N 1 1 306.450 3.022 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000787290559 624997348 /nfs/dbraw/zinc/99/73/48/624997348.db2.gz OHAZIHYFHLFZQH-AWEZNQCLSA-N 1 1 320.339 3.109 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)cc1F ZINC000787420453 625008559 /nfs/dbraw/zinc/00/85/59/625008559.db2.gz HGQURIYVOLZGKA-HIFRSBDPSA-N 1 1 322.424 3.055 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCOc1ccccc1F ZINC000790946451 625719851 /nfs/dbraw/zinc/71/98/51/625719851.db2.gz BOFIHMYFVOPJDS-UHFFFAOYSA-N 1 1 313.731 3.492 20 10 DGCDMO CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000882879852 625842391 /nfs/dbraw/zinc/84/23/91/625842391.db2.gz PYFYTAWRMQWJJD-INIZCTEOSA-N 1 1 306.356 3.063 20 10 DGCDMO COc1cccc(C2([NH2+]Cc3cc(F)cc(F)c3O)CC2)c1 ZINC000883041069 625907082 /nfs/dbraw/zinc/90/70/82/625907082.db2.gz YVJRVQYYDFVGOE-UHFFFAOYSA-N 1 1 305.324 3.458 20 10 DGCDMO CC(C)[NH+]1CCC(N(C)Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792162094 625917213 /nfs/dbraw/zinc/91/72/13/625917213.db2.gz CIIWLTALFRHQRZ-UHFFFAOYSA-N 1 1 314.832 3.489 20 10 DGCDMO CC[N@@H+]1CC[C@H](N(C)Cc2c(O)ccc(Cl)c2F)C[C@@H]1C ZINC000792164632 625917528 /nfs/dbraw/zinc/91/75/28/625917528.db2.gz AVSOHJBHSCFREJ-RYUDHWBXSA-N 1 1 314.832 3.489 20 10 DGCDMO CC[N@H+]1CC[C@H](N(C)Cc2c(O)ccc(Cl)c2F)C[C@@H]1C ZINC000792164632 625917537 /nfs/dbraw/zinc/91/75/37/625917537.db2.gz AVSOHJBHSCFREJ-RYUDHWBXSA-N 1 1 314.832 3.489 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](CC3(OC)CCCC3)CC2)cc1 ZINC000792167530 625918838 /nfs/dbraw/zinc/91/88/38/625918838.db2.gz VZJDWZDZDZZVEW-UHFFFAOYSA-N 1 1 318.461 3.167 20 10 DGCDMO CCOc1ccc(C[N@@H+](CCOC)[C@H]2CC[C@@H](C)C2)c(O)c1 ZINC000792192994 625922677 /nfs/dbraw/zinc/92/26/77/625922677.db2.gz PGBPNIHGGHHJQR-ZBFHGGJFSA-N 1 1 307.434 3.428 20 10 DGCDMO CCc1ccc([C@H](O)C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000883116844 625932227 /nfs/dbraw/zinc/93/22/27/625932227.db2.gz HTAJBYUIZPEMBT-MRXNPFEDSA-N 1 1 307.340 3.056 20 10 DGCDMO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000883117723 625932498 /nfs/dbraw/zinc/93/24/98/625932498.db2.gz GPBYCCBEOMMWRZ-BDJLRTHQSA-N 1 1 307.340 3.191 20 10 DGCDMO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000883145466 625943199 /nfs/dbraw/zinc/94/31/99/625943199.db2.gz BREHFVCUMLUFSJ-WBVHZDCISA-N 1 1 305.324 3.072 20 10 DGCDMO COc1ccc(C[NH2+]Cc2c(OC)cccc2OC)cc1C ZINC000796283368 626035266 /nfs/dbraw/zinc/03/52/66/626035266.db2.gz KNUJAMLOQHTXNH-UHFFFAOYSA-N 1 1 301.386 3.311 20 10 DGCDMO CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000796680473 626072551 /nfs/dbraw/zinc/07/25/51/626072551.db2.gz SPLLMPZQGQFJHB-VBQJREDUSA-N 1 1 324.440 3.071 20 10 DGCDMO CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1O ZINC000796680469 626072613 /nfs/dbraw/zinc/07/26/13/626072613.db2.gz SPLLMPZQGQFJHB-CPUCHLNUSA-N 1 1 324.440 3.071 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000796772265 626081129 /nfs/dbraw/zinc/08/11/29/626081129.db2.gz PQWIAKNWJBEUHB-OTWHNJEPSA-N 1 1 301.478 3.023 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(C(F)(F)F)CC2)c1 ZINC000797071731 626110366 /nfs/dbraw/zinc/11/03/66/626110366.db2.gz UXRBGXOQBMXECK-SECBINFHSA-N 1 1 317.307 3.172 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c1 ZINC000797586976 626155552 /nfs/dbraw/zinc/15/55/52/626155552.db2.gz OJFJRTZIXDJXBI-QWRGUYRKSA-N 1 1 313.344 3.265 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cccc(C(F)(F)F)c1O ZINC000798179477 626199922 /nfs/dbraw/zinc/19/99/22/626199922.db2.gz BTFYNIANOTZDLD-BXKDBHETSA-N 1 1 315.291 3.388 20 10 DGCDMO CSCCC[N@H+](C)Cc1cccc(Br)c1O ZINC000798964653 626263776 /nfs/dbraw/zinc/26/37/76/626263776.db2.gz OOLPIVQKMXZWLL-UHFFFAOYSA-N 1 1 304.253 3.340 20 10 DGCDMO CSCCC[N@@H+](C)Cc1cccc(Br)c1O ZINC000798964653 626263777 /nfs/dbraw/zinc/26/37/77/626263777.db2.gz OOLPIVQKMXZWLL-UHFFFAOYSA-N 1 1 304.253 3.340 20 10 DGCDMO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000799350653 626294233 /nfs/dbraw/zinc/29/42/33/626294233.db2.gz WQJFVYORIQGMNX-ZDUSSCGKSA-N 1 1 323.795 3.268 20 10 DGCDMO C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccc(F)cc1O ZINC000799729388 626325316 /nfs/dbraw/zinc/32/53/16/626325316.db2.gz LILUGKGEVVGEHF-XJKSGUPXSA-N 1 1 303.377 3.176 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)C[C@@](C)(O)C(F)(F)F ZINC000801596207 626411313 /nfs/dbraw/zinc/41/13/13/626411313.db2.gz STCTWTBMWYZNGM-CQSZACIVSA-N 1 1 305.340 3.308 20 10 DGCDMO CCCC[N@@H+](CC(=O)NC(C)(C)CC)Cc1ccccc1O ZINC000801597764 626411935 /nfs/dbraw/zinc/41/19/35/626411935.db2.gz OEJLRKNUHZDHIN-UHFFFAOYSA-N 1 1 306.450 3.299 20 10 DGCDMO CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H](O)c1ccccc1 ZINC000883203703 626607667 /nfs/dbraw/zinc/60/76/67/626607667.db2.gz JJIUJPQTYSDDNW-NVXWUHKLSA-N 1 1 307.340 3.272 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(F)cc1O ZINC000883276743 626633924 /nfs/dbraw/zinc/63/39/24/626633924.db2.gz OXYSJWBSXBJEMU-XJKSGUPXSA-N 1 1 307.365 3.016 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCOC[C@H]2CC2CCC2)c1O ZINC000840093912 626756286 /nfs/dbraw/zinc/75/62/86/626756286.db2.gz KOBZPAIBSHGUDW-MRXNPFEDSA-N 1 1 305.418 3.100 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000840097465 626759322 /nfs/dbraw/zinc/75/93/22/626759322.db2.gz ZNKOCQVNSKPIAO-INIZCTEOSA-N 1 1 312.413 3.331 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000840110886 626765488 /nfs/dbraw/zinc/76/54/88/626765488.db2.gz VCROUEYJAQTNFZ-OAHLLOKOSA-N 1 1 318.461 3.123 20 10 DGCDMO C[NH+](C)CCCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837263 626771536 /nfs/dbraw/zinc/77/15/36/626771536.db2.gz JECCKHWOKRLMHV-UHFFFAOYSA-N 1 1 319.232 3.047 20 10 DGCDMO C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000808194783 626805624 /nfs/dbraw/zinc/80/56/24/626805624.db2.gz ZWXHNSVGTQFUBT-DNVCBOLYSA-N 1 1 314.473 3.330 20 10 DGCDMO C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000808194783 626805626 /nfs/dbraw/zinc/80/56/26/626805626.db2.gz ZWXHNSVGTQFUBT-DNVCBOLYSA-N 1 1 314.473 3.330 20 10 DGCDMO COc1cc(C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c(O)cc1C ZINC000840143654 626856898 /nfs/dbraw/zinc/85/68/98/626856898.db2.gz WERQOAUXDSAHEL-DLBZAZTESA-N 1 1 305.418 3.099 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](CO)C(C)(C)C)c1[O-] ZINC000134437580 626876896 /nfs/dbraw/zinc/87/68/96/626876896.db2.gz QNIMVNWJHKRQDY-AWEZNQCLSA-N 1 1 313.825 3.087 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1O ZINC000134437580 626876899 /nfs/dbraw/zinc/87/68/99/626876899.db2.gz QNIMVNWJHKRQDY-AWEZNQCLSA-N 1 1 313.825 3.087 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](CO)C(C)(C)C)c1O ZINC000134437580 626876900 /nfs/dbraw/zinc/87/69/00/626876900.db2.gz QNIMVNWJHKRQDY-AWEZNQCLSA-N 1 1 313.825 3.087 20 10 DGCDMO CCC[N@@H+](CCN1CCCC1)Cc1ccc(OCC)cc1O ZINC000809701201 626938948 /nfs/dbraw/zinc/93/89/48/626938948.db2.gz VNXVJWGNIHVSSY-UHFFFAOYSA-N 1 1 306.450 3.099 20 10 DGCDMO CCCN(CC[NH+]1CCCC1)Cc1ccc(OCC)cc1O ZINC000809701201 626938951 /nfs/dbraw/zinc/93/89/51/626938951.db2.gz VNXVJWGNIHVSSY-UHFFFAOYSA-N 1 1 306.450 3.099 20 10 DGCDMO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)cc(F)c1O ZINC000809724020 626941932 /nfs/dbraw/zinc/94/19/32/626941932.db2.gz CUKNVMPEOPQTII-XHDPSFHLSA-N 1 1 312.816 3.243 20 10 DGCDMO Cc1cccc(C[N@H+](CCc2ccccc2)CCN(C)C)c1O ZINC000809730525 626942719 /nfs/dbraw/zinc/94/27/19/626942719.db2.gz RBIDXDJCYIVFMI-UHFFFAOYSA-N 1 1 312.457 3.307 20 10 DGCDMO CCOc1ccc(O)c(CN(CC)CCC[NH+]2CCCC2)c1 ZINC000809749866 626946495 /nfs/dbraw/zinc/94/64/95/626946495.db2.gz LHPIWXSFTXOQLU-UHFFFAOYSA-N 1 1 306.450 3.099 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H](CC(N)=O)C2)cc1 ZINC000809785052 626952457 /nfs/dbraw/zinc/95/24/57/626952457.db2.gz NESAVINDTVIAOC-KRWDZBQOSA-N 1 1 317.477 3.010 20 10 DGCDMO COCc1nc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)cs1 ZINC000810253657 626993011 /nfs/dbraw/zinc/99/30/11/626993011.db2.gz ZONXRIMDJFNDKR-JOYOIKCWSA-N 1 1 322.405 3.472 20 10 DGCDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000136825201 627103534 /nfs/dbraw/zinc/10/35/34/627103534.db2.gz KXVHPJKKOAEFOO-WMZOPIPTSA-N 1 1 302.462 3.270 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1c(O)cccc1F ZINC000886553437 627161760 /nfs/dbraw/zinc/16/17/60/627161760.db2.gz NFSUDLPDIWEGCV-DCGLDWPTSA-N 1 1 303.377 3.174 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1c(O)cccc1F ZINC000886588705 627168854 /nfs/dbraw/zinc/16/88/54/627168854.db2.gz XSCIHDKLIHXGKH-HIFRSBDPSA-N 1 1 303.377 3.176 20 10 DGCDMO C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1c(O)cccc1F ZINC000886594078 627169187 /nfs/dbraw/zinc/16/91/87/627169187.db2.gz FRXQXWLICOLHKX-UGSOOPFHSA-N 1 1 303.377 3.480 20 10 DGCDMO CNC(=O)C[C@H]([NH2+][C@H](C)c1c(O)cccc1F)c1ccccc1 ZINC000886605042 627171831 /nfs/dbraw/zinc/17/18/31/627171831.db2.gz IMSYXFMRRGDFEJ-DOMZBBRYSA-N 1 1 316.376 3.059 20 10 DGCDMO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1c(O)cccc1F ZINC000886612491 627173040 /nfs/dbraw/zinc/17/30/40/627173040.db2.gz MKSYYHNFDWHMHM-RFUYNDQBSA-N 1 1 315.388 3.348 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1c(O)cccc1F ZINC000886629433 627176686 /nfs/dbraw/zinc/17/66/86/627176686.db2.gz FCRIZDOHRQUSTQ-SUYBPPKGSA-N 1 1 316.376 3.497 20 10 DGCDMO C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1c(O)cccc1F ZINC000886636717 627177828 /nfs/dbraw/zinc/17/78/28/627177828.db2.gz SXWXZQXPEYRIFG-ZDUSSCGKSA-N 1 1 315.392 3.377 20 10 DGCDMO CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886641530 627178516 /nfs/dbraw/zinc/17/85/16/627178516.db2.gz LTHFTVBAOIFQBF-LBPRGKRZSA-N 1 1 316.376 3.365 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1c(O)cccc1F ZINC000886643285 627178948 /nfs/dbraw/zinc/17/89/48/627178948.db2.gz QBSVWYRPXGFAMX-XHDPSFHLSA-N 1 1 314.360 3.009 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1O ZINC000886676695 627187424 /nfs/dbraw/zinc/18/74/24/627187424.db2.gz KSJLYGLJCDEJKT-RDJZCZTQSA-N 1 1 321.367 3.315 20 10 DGCDMO CO[C@H]1CC[N@H+](Cc2cccc(Br)c2O)[C@H](C)C1 ZINC000302276895 627317486 /nfs/dbraw/zinc/31/74/86/627317486.db2.gz BJDPUBUFIHERKU-PWSUYJOCSA-N 1 1 314.223 3.154 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)[C@H](C)C1 ZINC000302276895 627317490 /nfs/dbraw/zinc/31/74/90/627317490.db2.gz BJDPUBUFIHERKU-PWSUYJOCSA-N 1 1 314.223 3.154 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1O ZINC000811803399 627322720 /nfs/dbraw/zinc/32/27/20/627322720.db2.gz LFKCFKGWHWYGLR-AWEZNQCLSA-N 1 1 321.808 3.006 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811790534 627322848 /nfs/dbraw/zinc/32/28/48/627322848.db2.gz NCQJNAGBMYWQPW-OALUTQOASA-N 1 1 324.424 3.474 20 10 DGCDMO CCN1CCN(c2ccc(C[NH2+][C@@H]3C[C@H](C)[C@@H]3C)cc2F)CC1 ZINC000813858589 627516642 /nfs/dbraw/zinc/51/66/42/627516642.db2.gz ASTNSTOIYXMANF-RLFYNMQTSA-N 1 1 319.468 3.102 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)cc1 ZINC000814180672 627548082 /nfs/dbraw/zinc/54/80/82/627548082.db2.gz QSUTVSLHHJAZQI-INIZCTEOSA-N 1 1 304.434 3.059 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)cc1 ZINC000814180672 627548084 /nfs/dbraw/zinc/54/80/84/627548084.db2.gz QSUTVSLHHJAZQI-INIZCTEOSA-N 1 1 304.434 3.059 20 10 DGCDMO Cc1cc(C[N@H+]2CCc3ccccc3[C@H]2CO)ccc1N(C)C ZINC000815073119 627622680 /nfs/dbraw/zinc/62/26/80/627622680.db2.gz GIILUWXNKZIQBZ-HXUWFJFHSA-N 1 1 310.441 3.153 20 10 DGCDMO Cc1cc(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)ccc1N(C)C ZINC000815092973 627625449 /nfs/dbraw/zinc/62/54/49/627625449.db2.gz YFQYOMCNIGPZMP-INIZCTEOSA-N 1 1 302.462 3.452 20 10 DGCDMO COC[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)C1CC1 ZINC000815598320 627689641 /nfs/dbraw/zinc/68/96/41/627689641.db2.gz ROZNLAMJVIJVNS-RNCFNFMXSA-N 1 1 303.324 3.487 20 10 DGCDMO COCCC[N@@H+](CCOC)Cc1ccc2ccccc2c1O ZINC000816494351 627797245 /nfs/dbraw/zinc/79/72/45/627797245.db2.gz HZMMRADRZNJVGB-UHFFFAOYSA-N 1 1 303.402 3.030 20 10 DGCDMO C[N@H+](Cc1nnc2ccccn21)Cc1ccc2ccccc2c1O ZINC000816499132 627797519 /nfs/dbraw/zinc/79/75/19/627797519.db2.gz GODFLLJGSXTPSA-UHFFFAOYSA-N 1 1 318.380 3.220 20 10 DGCDMO C[N@@H+](Cc1nnc2ccccn21)Cc1ccc2ccccc2c1O ZINC000816499132 627797520 /nfs/dbraw/zinc/79/75/20/627797520.db2.gz GODFLLJGSXTPSA-UHFFFAOYSA-N 1 1 318.380 3.220 20 10 DGCDMO Oc1c(C[N@H+]2CCC[C@@H](C3OCCO3)C2)ccc2ccccc21 ZINC000816501206 627797761 /nfs/dbraw/zinc/79/77/61/627797761.db2.gz ABVWBTCSPJOIDS-MRXNPFEDSA-N 1 1 313.397 3.130 20 10 DGCDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc4ccccc4c3O)C2)[nH]1 ZINC000816521731 627801287 /nfs/dbraw/zinc/80/12/87/627801287.db2.gz XOGZGPCXOPFEQX-MRXNPFEDSA-N 1 1 322.412 3.352 20 10 DGCDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3O)C2)n1 ZINC000816521731 627801291 /nfs/dbraw/zinc/80/12/91/627801291.db2.gz XOGZGPCXOPFEQX-MRXNPFEDSA-N 1 1 322.412 3.352 20 10 DGCDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc4ccccc4c3O)C2)n1 ZINC000816521731 627801294 /nfs/dbraw/zinc/80/12/94/627801294.db2.gz XOGZGPCXOPFEQX-MRXNPFEDSA-N 1 1 322.412 3.352 20 10 DGCDMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3O)C2)n[nH]1 ZINC000816521731 627801297 /nfs/dbraw/zinc/80/12/97/627801297.db2.gz XOGZGPCXOPFEQX-MRXNPFEDSA-N 1 1 322.412 3.352 20 10 DGCDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc4ccccc4c3O)C2)n[nH]1 ZINC000816521731 627801301 /nfs/dbraw/zinc/80/13/01/627801301.db2.gz XOGZGPCXOPFEQX-MRXNPFEDSA-N 1 1 322.412 3.352 20 10 DGCDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816519809 627801659 /nfs/dbraw/zinc/80/16/59/627801659.db2.gz WTGWRKBUOFUQAY-AWEZNQCLSA-N 1 1 323.799 3.428 20 10 DGCDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816519809 627801670 /nfs/dbraw/zinc/80/16/70/627801670.db2.gz WTGWRKBUOFUQAY-AWEZNQCLSA-N 1 1 323.799 3.428 20 10 DGCDMO OC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(F)cc1 ZINC000816551297 627806122 /nfs/dbraw/zinc/80/61/22/627806122.db2.gz WLJPMDKXNZIASC-AWEZNQCLSA-N 1 1 313.731 3.147 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCOCc1ccccc1 ZINC000816555341 627806604 /nfs/dbraw/zinc/80/66/04/627806604.db2.gz BFWNLSUWBDUOJP-UHFFFAOYSA-N 1 1 309.768 3.491 20 10 DGCDMO OC[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816555158 627806647 /nfs/dbraw/zinc/80/66/47/627806647.db2.gz VWYNCYSXDOUKJN-ZDUSSCGKSA-N 1 1 309.768 3.050 20 10 DGCDMO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816559193 627807153 /nfs/dbraw/zinc/80/71/53/627807153.db2.gz BFEUREPMQVAKFN-UHFFFAOYSA-N 1 1 324.739 3.425 20 10 DGCDMO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816559224 627807679 /nfs/dbraw/zinc/80/76/79/627807679.db2.gz BVZBXCNOHOXTTC-OTYXRUKQSA-N 1 1 313.756 3.380 20 10 DGCDMO C[C@H](CO)[N@@H+](Cc1cc(Cl)c(F)cc1O)CC1CCC1 ZINC000816603012 627813596 /nfs/dbraw/zinc/81/35/96/627813596.db2.gz VOGNEDBREFLHKS-SNVBAGLBSA-N 1 1 301.789 3.168 20 10 DGCDMO C[C@H](CO)[N@H+](Cc1cc(Cl)c(F)cc1O)CC1CCC1 ZINC000816603012 627813598 /nfs/dbraw/zinc/81/35/98/627813598.db2.gz VOGNEDBREFLHKS-SNVBAGLBSA-N 1 1 301.789 3.168 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cnn2ccccc12 ZINC000816608634 627814441 /nfs/dbraw/zinc/81/44/41/627814441.db2.gz FMUAMHWFBKZDDX-UHFFFAOYSA-N 1 1 305.740 3.122 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)c1O ZINC000816625067 627816731 /nfs/dbraw/zinc/81/67/31/627816731.db2.gz PYJGHCXJBSVNRC-QGZVFWFLSA-N 1 1 319.832 3.389 20 10 DGCDMO CC1(C)CCC[C@]1(O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816641098 627818022 /nfs/dbraw/zinc/81/80/22/627818022.db2.gz IMZMWEXOQLPSCM-HNNXBMFYSA-N 1 1 301.789 3.216 20 10 DGCDMO C[N@@H+]1CCC[C@@]2(CCN(Cc3cc(Cl)c(F)cc3O)C2)C1 ZINC000816641819 627818338 /nfs/dbraw/zinc/81/83/38/627818338.db2.gz HGJZSUWQHPLVRW-MRXNPFEDSA-N 1 1 312.816 3.102 20 10 DGCDMO C[N@H+]1CCC[C@@]2(CCN(Cc3cc(Cl)c(F)cc3O)C2)C1 ZINC000816641819 627818341 /nfs/dbraw/zinc/81/83/41/627818341.db2.gz HGJZSUWQHPLVRW-MRXNPFEDSA-N 1 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CCC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817944099 627969953 /nfs/dbraw/zinc/96/99/53/627969953.db2.gz XHEUYSWYRCETRA-ROUUACIJSA-N 1 1 312.461 3.278 20 10 DGCDMO CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000817954277 627973411 /nfs/dbraw/zinc/97/34/11/627973411.db2.gz WYXAGUGGOUGTHZ-NSHDSACASA-N 1 1 315.255 3.193 20 10 DGCDMO CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000817959989 627976186 /nfs/dbraw/zinc/97/61/86/627976186.db2.gz JSNPXTUMYFPWOR-JTQLQIEISA-N 1 1 315.255 3.323 20 10 DGCDMO C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000817970850 627980078 /nfs/dbraw/zinc/98/00/78/627980078.db2.gz GFQRNIGTUZQDSL-JFIYKMOQSA-N 1 1 301.478 3.468 20 10 DGCDMO C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000817976239 627980603 /nfs/dbraw/zinc/98/06/03/627980603.db2.gz IRWSESSRMOUQMG-GHMZBOCLSA-N 1 1 315.255 3.323 20 10 DGCDMO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2c1c(F)ccc2[O-] ZINC000817985090 627983462 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C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000827733818 628986827 /nfs/dbraw/zinc/98/68/27/628986827.db2.gz OZWKTSNCRWWWPW-PIGZYNQJSA-N 1 1 323.795 3.439 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc1F ZINC000828013874 629014904 /nfs/dbraw/zinc/01/49/04/629014904.db2.gz NCHVRGBJOWDYOD-UHFFFAOYSA-N 1 1 316.424 3.199 20 10 DGCDMO Cc1cc(C[N@@H+](C)CCc2cnccn2)ccc1N1CCCCC1 ZINC000828604564 629073856 /nfs/dbraw/zinc/07/38/56/629073856.db2.gz TUQFQQKHXDBNBY-UHFFFAOYSA-N 1 1 324.472 3.450 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1O ZINC000828893375 629106323 /nfs/dbraw/zinc/10/63/23/629106323.db2.gz JVQRJPQCOSMDOO-DYVFJYSZSA-N 1 1 321.392 3.125 20 10 DGCDMO Cc1cc(C[N@@H+]2CCC(=O)[C@H](C)C2)ccc1N1CCCCC1 ZINC000828965007 629114368 /nfs/dbraw/zinc/11/43/68/629114368.db2.gz ITCMBORPZVNRGV-MRXNPFEDSA-N 1 1 300.446 3.396 20 10 DGCDMO Cc1cc(C[N@H+]2CCC(=O)[C@H](C)C2)ccc1N1CCCCC1 ZINC000828965007 629114371 /nfs/dbraw/zinc/11/43/71/629114371.db2.gz ITCMBORPZVNRGV-MRXNPFEDSA-N 1 1 300.446 3.396 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)ccc1N1CCCCC1 ZINC000829121349 629132622 /nfs/dbraw/zinc/13/26/22/629132622.db2.gz TXUSSRIJHDCEDQ-DNVCBOLYSA-N 1 1 302.462 3.188 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@@H](O)C(C)(C)C2)ccc1N1CCCCC1 ZINC000829326718 629149462 /nfs/dbraw/zinc/14/94/62/629149462.db2.gz CLJVBKREMXPZSP-GOSISDBHSA-N 1 1 302.462 3.188 20 10 DGCDMO Cc1cc(C[N@H+](C)CC(C)(C)CO)ccc1N1CCCCC1 ZINC000830708424 629296608 /nfs/dbraw/zinc/29/66/08/629296608.db2.gz SPXJLGRTDQHVHB-UHFFFAOYSA-N 1 1 304.478 3.436 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1O ZINC000832343802 629469749 /nfs/dbraw/zinc/46/97/49/629469749.db2.gz LVQMNVYBYSIFLU-QGZVFWFLSA-N 1 1 323.820 3.251 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1O ZINC000832343802 629469751 /nfs/dbraw/zinc/46/97/51/629469751.db2.gz LVQMNVYBYSIFLU-QGZVFWFLSA-N 1 1 323.820 3.251 20 10 DGCDMO C[C@H]1C[C@H]([NH2+]Cc2nn(C)cc2Cl)c2c1c(F)ccc2O ZINC000834882140 629797042 /nfs/dbraw/zinc/79/70/42/629797042.db2.gz GAQLLRLDYPISOK-KWQFWETISA-N 1 1 309.772 3.256 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCC2(F)F)c1 ZINC000834885416 629797928 /nfs/dbraw/zinc/79/79/28/629797928.db2.gz KNQJSNDTLOTUDY-JQWIXIFHSA-N 1 1 313.344 3.265 20 10 DGCDMO C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c2c1c(F)ccc2O ZINC000834891802 629799180 /nfs/dbraw/zinc/79/91/80/629799180.db2.gz JLWKUFLMGFCRAN-JBMNRGHBSA-N 1 1 304.409 3.294 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)c1ccc(F)cc1O ZINC000834894730 629800424 /nfs/dbraw/zinc/80/04/24/629800424.db2.gz UHPSUMMCWPZGME-WBHUJUFNSA-N 1 1 316.376 3.497 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cnc(C)cc2C)c1 ZINC000834904365 629805005 /nfs/dbraw/zinc/80/50/05/629805005.db2.gz XJEJSJMVNQPAEZ-ZDUSSCGKSA-N 1 1 314.385 3.041 20 10 DGCDMO CN(C)c1ccc(/C=C/CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000835026449 629827760 /nfs/dbraw/zinc/82/77/60/629827760.db2.gz WSOWXFMZEVLPMY-FZMUQLTDSA-N 1 1 301.478 3.039 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1 ZINC000835026449 629827788 /nfs/dbraw/zinc/82/77/88/629827788.db2.gz WSOWXFMZEVLPMY-FZMUQLTDSA-N 1 1 301.478 3.039 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1 ZINC000835026449 629827793 /nfs/dbraw/zinc/82/77/93/629827793.db2.gz WSOWXFMZEVLPMY-FZMUQLTDSA-N 1 1 301.478 3.039 20 10 DGCDMO CC[N@@H+](C)C[C@@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027159 629828957 /nfs/dbraw/zinc/82/89/57/629828957.db2.gz BOPKRLAASPNWRN-MJRGOJFPSA-N 1 1 301.478 3.039 20 10 DGCDMO CCC[N@@H+]1CC[C@@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835034565 629830732 /nfs/dbraw/zinc/83/07/32/629830732.db2.gz BLNSVELDHAVOJA-QWNKOJSDSA-N 1 1 301.478 3.087 20 10 DGCDMO CCC[N@H+]1CC[C@@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835034565 629830740 /nfs/dbraw/zinc/83/07/40/629830740.db2.gz BLNSVELDHAVOJA-QWNKOJSDSA-N 1 1 301.478 3.087 20 10 DGCDMO CC(C)[N@@H+]1CCC[C@@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835038584 629831147 /nfs/dbraw/zinc/83/11/47/629831147.db2.gz UBTQVEJJWAEVGR-XZXOBPBMSA-N 1 1 315.505 3.476 20 10 DGCDMO CC(C)[N@H+]1CCC[C@@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835038584 629831148 /nfs/dbraw/zinc/83/11/48/629831148.db2.gz UBTQVEJJWAEVGR-XZXOBPBMSA-N 1 1 315.505 3.476 20 10 DGCDMO CCC[C@@]1(CO)CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835051876 629837073 /nfs/dbraw/zinc/83/70/73/629837073.db2.gz AWHUXQVCZUGKRA-ZMBJWTFHSA-N 1 1 302.462 3.250 20 10 DGCDMO Cc1noc([C@@H]2CCC[N@H+]2C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835052922 629837847 /nfs/dbraw/zinc/83/78/47/629837847.db2.gz IPMBFLWYSIOPJP-YXMMZVCTSA-N 1 1 312.417 3.294 20 10 DGCDMO Cc1noc([C@@H]2CCC[N@@H+]2C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835052922 629837851 /nfs/dbraw/zinc/83/78/51/629837851.db2.gz IPMBFLWYSIOPJP-YXMMZVCTSA-N 1 1 312.417 3.294 20 10 DGCDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(N(C)C)cc1 ZINC000835076791 629845037 /nfs/dbraw/zinc/84/50/37/629845037.db2.gz LQAPOMZGEIDIKO-UHFFFAOYSA-N 1 1 300.450 3.144 20 10 DGCDMO Cc1cc(O)c(C[NH2+]Cc2nccn2CC(C)C)c(Cl)c1 ZINC000840898441 630374542 /nfs/dbraw/zinc/37/45/42/630374542.db2.gz DXPUHZOFWBYFBA-UHFFFAOYSA-N 1 1 307.825 3.496 20 10 DGCDMO CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840917968 630378327 /nfs/dbraw/zinc/37/83/27/630378327.db2.gz XMBSRJGEJGQVJK-QGZVFWFLSA-N 1 1 303.494 3.225 20 10 DGCDMO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(N(C)C)cc2C)C1 ZINC000840917968 630378330 /nfs/dbraw/zinc/37/83/30/630378330.db2.gz XMBSRJGEJGQVJK-QGZVFWFLSA-N 1 1 303.494 3.225 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000840946074 630381959 /nfs/dbraw/zinc/38/19/59/630381959.db2.gz DZOYMFDQMNHWLS-ZWKOTPCHSA-N 1 1 302.462 3.450 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000840948624 630382454 /nfs/dbraw/zinc/38/24/54/630382454.db2.gz HCKCYUSHNDXKHO-IBGZPJMESA-N 1 1 314.473 3.452 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000840947816 630382498 /nfs/dbraw/zinc/38/24/98/630382498.db2.gz MQEISMXRMCGGPH-OAQYLSRUSA-N 1 1 324.468 3.197 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000840951328 630383438 /nfs/dbraw/zinc/38/34/38/630383438.db2.gz WJGASZROOIXABG-TVQRCGJNSA-N 1 1 323.742 3.099 20 10 DGCDMO CCOc1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1O ZINC000840956309 630384883 /nfs/dbraw/zinc/38/48/83/630384883.db2.gz MZDRRYOQHOLTIV-SJORKVTESA-N 1 1 313.397 3.099 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840959656 630386209 /nfs/dbraw/zinc/38/62/09/630386209.db2.gz ZFBSDZUIIRGGOB-XJKSGUPXSA-N 1 1 321.779 3.493 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840959656 630386211 /nfs/dbraw/zinc/38/62/11/630386211.db2.gz ZFBSDZUIIRGGOB-XJKSGUPXSA-N 1 1 321.779 3.493 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c1 ZINC000840969419 630388077 /nfs/dbraw/zinc/38/80/77/630388077.db2.gz IVKUORAMVDKFOZ-KRWDZBQOSA-N 1 1 305.418 3.038 20 10 DGCDMO CN(C)c1ccc(/C=C\CN[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000841039399 630400748 /nfs/dbraw/zinc/40/07/48/630400748.db2.gz NLVOZRPHMKQYNE-LIXSYLKWSA-N 1 1 301.478 3.263 20 10 DGCDMO CCN(CC)c1ccc(CNC[C@@]2(C)CCC[NH2+]C2)cc1F ZINC000841057555 630403240 /nfs/dbraw/zinc/40/32/40/630403240.db2.gz PIRWDGUCZSRKAR-SFHVURJKSA-N 1 1 307.457 3.151 20 10 DGCDMO CCN(CC)c1ccc(CN[C@H]2CC[NH2+]CC2(C)C)cc1F ZINC000841072123 630404206 /nfs/dbraw/zinc/40/42/06/630404206.db2.gz HFEUTGKLBDTRGQ-KRWDZBQOSA-N 1 1 307.457 3.150 20 10 DGCDMO CCc1ccccc1[C@H]([NH3+])CNCc1ccc(N(C)C)c(F)c1 ZINC000841086840 630406234 /nfs/dbraw/zinc/40/62/34/630406234.db2.gz NGLZAARRNNBYHI-GOSISDBHSA-N 1 1 315.436 3.244 20 10 DGCDMO [NH3+]C[C@H](NCc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC000841087785 630406744 /nfs/dbraw/zinc/40/67/44/630406744.db2.gz PJQIPVKCFCRURC-IBGZPJMESA-N 1 1 301.478 3.284 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H](N)C2)cc1C ZINC000841103007 630408522 /nfs/dbraw/zinc/40/85/22/630408522.db2.gz COUYZCUDLSEQAF-ZWKOTPCHSA-N 1 1 314.404 3.075 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H](N)C2)cc1C ZINC000841103007 630408524 /nfs/dbraw/zinc/40/85/24/630408524.db2.gz COUYZCUDLSEQAF-ZWKOTPCHSA-N 1 1 314.404 3.075 20 10 DGCDMO C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(Cl)cc1O ZINC000841745347 630461231 /nfs/dbraw/zinc/46/12/31/630461231.db2.gz YFBPPCCGYFLABJ-CYBMUJFWSA-N 1 1 324.852 3.489 20 10 DGCDMO C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(Cl)cc1O ZINC000841750791 630461814 /nfs/dbraw/zinc/46/18/14/630461814.db2.gz BINRGFDGAZVIMJ-SNVBAGLBSA-N 1 1 323.849 3.241 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(Cl)cc1O ZINC000841765069 630463272 /nfs/dbraw/zinc/46/32/72/630463272.db2.gz UPTNFXOHLFGIGP-OUCADQQQSA-N 1 1 324.852 3.343 20 10 DGCDMO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000841762959 630463465 /nfs/dbraw/zinc/46/34/65/630463465.db2.gz NOYVLWMTQDGTAD-SECBINFHSA-N 1 1 303.233 3.444 20 10 DGCDMO CCn1cncc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000841831690 630470089 /nfs/dbraw/zinc/47/00/89/630470089.db2.gz YMWADONKRXTHJP-UHFFFAOYSA-N 1 1 300.450 3.380 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@H]2COc2cccnc2C)c1O ZINC000841895369 630474193 /nfs/dbraw/zinc/47/41/93/630474193.db2.gz DFHQZMFPODHCFD-KRWDZBQOSA-N 1 1 312.413 3.447 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@@H]2COc2cccnc2C)c1O ZINC000841895371 630474230 /nfs/dbraw/zinc/47/42/30/630474230.db2.gz DFHQZMFPODHCFD-QGZVFWFLSA-N 1 1 312.413 3.447 20 10 DGCDMO CCC[N@@H+](CC[S@@](=O)c1ccccc1)Cc1ccccc1O ZINC000104682349 630507563 /nfs/dbraw/zinc/50/75/63/630507563.db2.gz AYZJXVYJRWZMQB-QFIPXVFZSA-N 1 1 317.454 3.412 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCc3cc(Cl)nnc3C2)c1 ZINC000842619346 630554400 /nfs/dbraw/zinc/55/44/00/630554400.db2.gz ZYQMPQRSVFOPCB-UHFFFAOYSA-N 1 1 303.793 3.011 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCc3cc(Cl)nnc3C2)c1 ZINC000842619346 630554404 /nfs/dbraw/zinc/55/44/04/630554404.db2.gz ZYQMPQRSVFOPCB-UHFFFAOYSA-N 1 1 303.793 3.011 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000842623661 630555079 /nfs/dbraw/zinc/55/50/79/630555079.db2.gz XSFCBGDXBRUZHT-DYVFJYSZSA-N 1 1 319.445 3.309 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)c1O ZINC000842644913 630557754 /nfs/dbraw/zinc/55/77/54/630557754.db2.gz IXTGDNGTDAZLSE-AWEZNQCLSA-N 1 1 305.418 3.243 20 10 DGCDMO Cc1ccc(O)c(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c1 ZINC000842767215 630573710 /nfs/dbraw/zinc/57/37/10/630573710.db2.gz YYEWLOJXQIXIKK-MOPGFXCFSA-N 1 1 310.441 3.136 20 10 DGCDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@@H]1SC ZINC000842768506 630574109 /nfs/dbraw/zinc/57/41/09/630574109.db2.gz XXHHWOBFNGMFLG-QKCSRTOESA-N 1 1 319.829 3.183 20 10 DGCDMO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2O)[C@@H]1SC ZINC000842923911 630593525 /nfs/dbraw/zinc/59/35/25/630593525.db2.gz MBZGPXNCBAKOGJ-QFKGGZDISA-N 1 1 317.401 3.230 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccccc1O ZINC000842922002 630593548 /nfs/dbraw/zinc/59/35/48/630593548.db2.gz ULWUNGSJXZFXSK-SUMDDJOVSA-N 1 1 310.441 3.388 20 10 DGCDMO CCC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC[NH2+]CC1 ZINC000843044168 630607483 /nfs/dbraw/zinc/60/74/83/630607483.db2.gz GAKAYBKVSLVABR-WAYWQWQTSA-N 1 1 301.478 3.230 20 10 DGCDMO CCCN(C/C=C\c1ccc(N(C)C)cc1)C1CC[NH2+]CC1 ZINC000843044168 630607486 /nfs/dbraw/zinc/60/74/86/630607486.db2.gz GAKAYBKVSLVABR-WAYWQWQTSA-N 1 1 301.478 3.230 20 10 DGCDMO Cc1cc(Cl)cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1O ZINC000843046034 630608330 /nfs/dbraw/zinc/60/83/30/630608330.db2.gz SVEAFAOLWJJPQA-CJNGLKHVSA-N 1 1 308.853 3.318 20 10 DGCDMO CN(C)c1ccc(CN(C)CC(C)(C)C[NH3+])c(C(F)(F)F)c1 ZINC000843055929 630609525 /nfs/dbraw/zinc/60/95/25/630609525.db2.gz ANZRPWNAVLIJFQ-UHFFFAOYSA-N 1 1 317.399 3.188 20 10 DGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000843059465 630609904 /nfs/dbraw/zinc/60/99/04/630609904.db2.gz MJEKQJDJYMJBLS-IBGZPJMESA-N 1 1 301.478 3.108 20 10 DGCDMO c1cc(N2CCCCC2)ccc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843116858 630615213 /nfs/dbraw/zinc/61/52/13/630615213.db2.gz MWLAJRPAXKMLPY-FQEVSTJZSA-N 1 1 313.489 3.252 20 10 DGCDMO CCN(CC)c1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000843123696 630615775 /nfs/dbraw/zinc/61/57/75/630615775.db2.gz NRRQBBDVHAHOKX-IBGZPJMESA-N 1 1 301.478 3.108 20 10 DGCDMO [NH3+]C[C@H]1c2ccccc2CCN1Cc1cccc(Cl)c1O ZINC000843129573 630617801 /nfs/dbraw/zinc/61/78/01/630617801.db2.gz PXHYUBBSKIVPST-INIZCTEOSA-N 1 1 302.805 3.104 20 10 DGCDMO Oc1c(C[N@H+]2CC[C@H](Nc3ncccn3)C2)ccc2ccccc21 ZINC000843414533 630653467 /nfs/dbraw/zinc/65/34/67/630653467.db2.gz HWBSLPOHCAXOAF-INIZCTEOSA-N 1 1 320.396 3.022 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1O ZINC000843418770 630655006 /nfs/dbraw/zinc/65/50/06/630655006.db2.gz YINNRCKXHJNDPE-OAHLLOKOSA-N 1 1 313.850 3.062 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCO[C@]3(CCSC3)C2)c1O ZINC000843418770 630655007 /nfs/dbraw/zinc/65/50/07/630655007.db2.gz YINNRCKXHJNDPE-OAHLLOKOSA-N 1 1 313.850 3.062 20 10 DGCDMO CCC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCN(C)C1 ZINC000843421861 630655810 /nfs/dbraw/zinc/65/58/10/630655810.db2.gz IOQWCTNAWPVBNY-LBPRGKRZSA-N 1 1 300.805 3.101 20 10 DGCDMO CCC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCN(C)C1 ZINC000843421861 630655812 /nfs/dbraw/zinc/65/58/12/630655812.db2.gz IOQWCTNAWPVBNY-LBPRGKRZSA-N 1 1 300.805 3.101 20 10 DGCDMO COc1ccc(N(C)CC[N@H+](C)Cc2cccnc2Cl)cc1 ZINC000844399138 630724535 /nfs/dbraw/zinc/72/45/35/630724535.db2.gz HKLQXVFQGQGHSB-UHFFFAOYSA-N 1 1 319.836 3.312 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cccnc2Cl)cc1 ZINC000844399138 630724536 /nfs/dbraw/zinc/72/45/36/630724536.db2.gz HKLQXVFQGQGHSB-UHFFFAOYSA-N 1 1 319.836 3.312 20 10 DGCDMO CCc1nc(C)c(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)o1 ZINC000844402985 630724889 /nfs/dbraw/zinc/72/48/89/630724889.db2.gz YQXITNZSJCIEMI-UHFFFAOYSA-N 1 1 317.433 3.122 20 10 DGCDMO CC[C@H]1C[C@@H](C[N@@H+](C)CCN(C)c2ccc(OC)cc2)CCO1 ZINC000846051294 631208377 /nfs/dbraw/zinc/20/83/77/631208377.db2.gz FGAGJWARPXPFMS-WMZOPIPTSA-N 1 1 320.477 3.268 20 10 DGCDMO COc1cccc([C@H](C)NC[C@@H](C(C)C)[NH+]2CCCC2)c1O ZINC000846138627 631211378 /nfs/dbraw/zinc/21/13/78/631211378.db2.gz LSQXLWMMBXQIPX-HOCLYGCPSA-N 1 1 306.450 3.172 20 10 DGCDMO CC[N@@H+](CCCNC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000846657907 631280294 /nfs/dbraw/zinc/28/02/94/631280294.db2.gz HULZJTUFWPVJEN-UHFFFAOYSA-N 1 1 310.463 3.228 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](CCCc2cncn2C)C2CC2)cc1 ZINC000846775863 631302432 /nfs/dbraw/zinc/30/24/32/631302432.db2.gz DDYPXUTWXCSRIJ-UHFFFAOYSA-N 1 1 312.461 3.083 20 10 DGCDMO Cc1cc(C[N@H+](C[C@H](C)O)C2CC2)ccc1N1CCCCC1 ZINC000847095428 631403646 /nfs/dbraw/zinc/40/36/46/631403646.db2.gz BREQELQIYSPKEJ-INIZCTEOSA-N 1 1 302.462 3.331 20 10 DGCDMO CC[C@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000848559412 631692822 /nfs/dbraw/zinc/69/28/22/631692822.db2.gz WIOKSPKHWCNLHF-ZJOBFFGXSA-N 1 1 324.440 3.070 20 10 DGCDMO CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)[C@H]1CCCCO1 ZINC000848567581 631695905 /nfs/dbraw/zinc/69/59/05/631695905.db2.gz ITLYIKXNYJBQMD-YLQAJVPDSA-N 1 1 321.417 3.177 20 10 DGCDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(CC)c2O)C1 ZINC000848883470 631770384 /nfs/dbraw/zinc/77/03/84/631770384.db2.gz FQTWJCFFNAKQHH-OAHLLOKOSA-N 1 1 318.461 3.083 20 10 DGCDMO CCc1cccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O ZINC000848913251 631783785 /nfs/dbraw/zinc/78/37/85/631783785.db2.gz SKYMMUGNWYXYJY-SJLPKXTDSA-N 1 1 301.430 3.488 20 10 DGCDMO CCc1cccc(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)c1O ZINC000848919234 631786664 /nfs/dbraw/zinc/78/66/64/631786664.db2.gz IEPOPKXSLXYEPE-HXUWFJFHSA-N 1 1 311.425 3.220 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCOC(C)(C)C)c1 ZINC000850524290 632180091 /nfs/dbraw/zinc/18/00/91/632180091.db2.gz BGTPQJVDQPVIDP-LBPRGKRZSA-N 1 1 309.406 3.035 20 10 DGCDMO C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1cc(F)cc(F)c1O ZINC000850529137 632182356 /nfs/dbraw/zinc/18/23/56/632182356.db2.gz PJHSBVYEFXXIGC-RWJJJZRFSA-N 1 1 305.324 3.499 20 10 DGCDMO C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cc(F)cc(F)c1O ZINC000850534827 632185356 /nfs/dbraw/zinc/18/53/56/632185356.db2.gz NRKMDZJXOVJGIS-SECBINFHSA-N 1 1 307.344 3.132 20 10 DGCDMO C[C@@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1ccc(F)cc1O ZINC000850537479 632185851 /nfs/dbraw/zinc/18/58/51/632185851.db2.gz QSWGTAZXLZJTME-QMTHXVAHSA-N 1 1 305.324 3.325 20 10 DGCDMO C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1O ZINC000850545594 632187836 /nfs/dbraw/zinc/18/78/36/632187836.db2.gz QILOCBJKGJJWDP-CMPLNLGQSA-N 1 1 317.351 3.470 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCc2ccco2)c1 ZINC000850570237 632197371 /nfs/dbraw/zinc/19/73/71/632197371.db2.gz ROYHQCLGNQNQSU-GFCCVEGCSA-N 1 1 303.358 3.055 20 10 DGCDMO C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc(F)ccc1[O-] ZINC000850582828 632202049 /nfs/dbraw/zinc/20/20/49/632202049.db2.gz LMMXXFFVXLJVBJ-CYBMUJFWSA-N 1 1 306.425 3.304 20 10 DGCDMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1O ZINC000109771684 632316890 /nfs/dbraw/zinc/31/68/90/632316890.db2.gz WVMREKZJFBRWFR-UHFFFAOYSA-N 1 1 304.777 3.116 20 10 DGCDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1O ZINC000109771684 632316892 /nfs/dbraw/zinc/31/68/92/632316892.db2.gz WVMREKZJFBRWFR-UHFFFAOYSA-N 1 1 304.777 3.116 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnc3ccccc3n2)cc1 ZINC000851720170 632474567 /nfs/dbraw/zinc/47/45/67/632474567.db2.gz BPVQKNNHCGDUGS-UHFFFAOYSA-N 1 1 306.413 3.328 20 10 DGCDMO CO[C@H](C[N@@H+](Cc1ccccc1O)C1CCCC1)[C@@H]1CCOC1 ZINC000851771899 632489458 /nfs/dbraw/zinc/48/94/58/632489458.db2.gz RDGHRRDRPPCDLB-VQIMIIECSA-N 1 1 319.445 3.188 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCO[C@H]1CC1(F)F)Cc1ccco1 ZINC000851841092 632507063 /nfs/dbraw/zinc/50/70/63/632507063.db2.gz MZDWTTJIRZQCFK-INIZCTEOSA-N 1 1 323.339 3.412 20 10 DGCDMO Cc1cccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1O ZINC000184788898 660186390 /nfs/dbraw/zinc/18/63/90/660186390.db2.gz MUPLBLAIMAWTAY-LJQANCHMSA-N 1 1 311.425 3.474 20 10 DGCDMO COCC1=CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000185031028 660198768 /nfs/dbraw/zinc/19/87/68/660198768.db2.gz BLZDVENISDXYSA-UHFFFAOYSA-N 1 1 319.445 3.477 20 10 DGCDMO CC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000185020877 660199073 /nfs/dbraw/zinc/19/90/73/660199073.db2.gz UQPHRLNAQBKULM-LLVKDONJSA-N 1 1 302.349 3.341 20 10 DGCDMO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000044757763 658926576 /nfs/dbraw/zinc/92/65/76/658926576.db2.gz CXYRQGSZNVCBGG-UHFFFAOYSA-N 1 1 307.296 3.031 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(F)cc1O ZINC000186094717 660266328 /nfs/dbraw/zinc/26/63/28/660266328.db2.gz YBUVGPXLCIWQDP-WSVYEEACSA-N 1 1 307.390 3.120 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)[C@@H](C)C1 ZINC000701177175 660659170 /nfs/dbraw/zinc/65/91/70/660659170.db2.gz WVAPNVQTXUFZAE-GWCFXTLKSA-N 1 1 314.223 3.154 20 10 DGCDMO Cc1ccncc1C[N@H+](C)Cc1cc(Br)ccc1O ZINC000793339478 661025516 /nfs/dbraw/zinc/02/55/16/661025516.db2.gz LKHUYVXDLBEGOA-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000793609147 661049548 /nfs/dbraw/zinc/04/95/48/661049548.db2.gz OSHOKYTVYVLGOR-CYBMUJFWSA-N 1 1 301.789 3.312 20 10 DGCDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000794650144 661096267 /nfs/dbraw/zinc/09/62/67/661096267.db2.gz OUGYMXGHRWYINP-GOSISDBHSA-N 1 1 307.434 3.396 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@](C)(O)CC3)c2c1 ZINC000794667742 661097316 /nfs/dbraw/zinc/09/73/16/661097316.db2.gz PJXIXMZTNRBARU-IBGZPJMESA-N 1 1 315.413 3.291 20 10 DGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2O)C1(C)C ZINC000160284810 655586479 /nfs/dbraw/zinc/58/64/79/655586479.db2.gz MOEJHRSHFUTUID-DLBZAZTESA-N 1 1 323.433 3.045 20 10 DGCDMO COc1cc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c(O)cc1C ZINC000795664484 661166388 /nfs/dbraw/zinc/16/63/88/661166388.db2.gz ANLCQGQFRKHXAD-OAHLLOKOSA-N 1 1 301.390 3.160 20 10 DGCDMO COc1cc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c(O)cc1C ZINC000795664484 661166389 /nfs/dbraw/zinc/16/63/89/661166389.db2.gz ANLCQGQFRKHXAD-OAHLLOKOSA-N 1 1 301.390 3.160 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccccc2OC)c1 ZINC000160423609 655631651 /nfs/dbraw/zinc/63/16/51/655631651.db2.gz IUTHIILTQOZGHT-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO COc1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000048794713 655777456 /nfs/dbraw/zinc/77/74/56/655777456.db2.gz IZVVBWPFCMXALL-UHFFFAOYSA-N 1 1 322.202 3.453 20 10 DGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@H]2C)c1O ZINC000091859395 655846917 /nfs/dbraw/zinc/84/69/17/655846917.db2.gz KHKWTVBPNFIPAH-VHSXEESVSA-N 1 1 314.223 3.394 20 10 DGCDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000187992911 656142785 /nfs/dbraw/zinc/14/27/85/656142785.db2.gz CXXIPGMPMBGGCH-QGZVFWFLSA-N 1 1 303.377 3.221 20 10 DGCDMO CCOCCOCC[N@@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000189233557 656153751 /nfs/dbraw/zinc/15/37/51/656153751.db2.gz AWCYUBBMDOTQLD-UHFFFAOYSA-N 1 1 323.477 3.483 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3C[C@@H](C)OC[C@@H]3C)c2c1 ZINC000026666617 656253870 /nfs/dbraw/zinc/25/38/70/656253870.db2.gz BRBIVJKQPFIOQF-QWHCGFSZSA-N 1 1 301.386 3.163 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCOC2(CCC2)C1 ZINC000093639983 656365788 /nfs/dbraw/zinc/36/57/88/656365788.db2.gz YAVLODJHIUVVEW-UHFFFAOYSA-N 1 1 300.446 3.432 20 10 DGCDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092710290 656578255 /nfs/dbraw/zinc/57/82/55/656578255.db2.gz UYHHCGJTNCWEAQ-ZDUSSCGKSA-N 1 1 324.852 3.174 20 10 DGCDMO CN(CCC[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000237089755 657090721 /nfs/dbraw/zinc/09/07/21/657090721.db2.gz YSOLHAVCSOZJOP-UHFFFAOYSA-N 1 1 310.441 3.233 20 10 DGCDMO C[N@H+](CCCNCc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000237089755 657090730 /nfs/dbraw/zinc/09/07/30/657090730.db2.gz YSOLHAVCSOZJOP-UHFFFAOYSA-N 1 1 310.441 3.233 20 10 DGCDMO C[N@@H+](CCCNCc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000237089755 657090734 /nfs/dbraw/zinc/09/07/34/657090734.db2.gz YSOLHAVCSOZJOP-UHFFFAOYSA-N 1 1 310.441 3.233 20 10 DGCDMO COc1ccc(O)c(CNC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000237204757 657378889 /nfs/dbraw/zinc/37/88/89/657378889.db2.gz SIHNIWUFIYAEQH-KSSFIOAISA-N 1 1 306.450 3.001 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)CCOc2ccccc2)c1O ZINC000119407806 658709455 /nfs/dbraw/zinc/70/94/55/658709455.db2.gz RXQFMRRDYWFSIE-UHFFFAOYSA-N 1 1 301.386 3.220 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000164601867 658938440 /nfs/dbraw/zinc/93/84/40/658938440.db2.gz RHIFCBHKJNVAFK-DZGCQCFKSA-N 1 1 321.461 3.434 20 10 DGCDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000157455596 659063707 /nfs/dbraw/zinc/06/37/07/659063707.db2.gz LGZYDIDSMBXWLL-INIZCTEOSA-N 1 1 306.425 3.427 20 10 DGCDMO COc1cc(Cl)cc(CNCC[N@H+](C)C2CCCC2)c1O ZINC000228673245 659202251 /nfs/dbraw/zinc/20/22/51/659202251.db2.gz OPBVTKLZRRUNTG-UHFFFAOYSA-N 1 1 312.841 3.018 20 10 DGCDMO COc1cc(Cl)cc(CNCC[N@@H+](C)C2CCCC2)c1O ZINC000228673245 659202254 /nfs/dbraw/zinc/20/22/54/659202254.db2.gz OPBVTKLZRRUNTG-UHFFFAOYSA-N 1 1 312.841 3.018 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1ccc(F)cc1O ZINC000170788844 659237711 /nfs/dbraw/zinc/23/77/11/659237711.db2.gz SINXJPJXXJMTQT-DYVFJYSZSA-N 1 1 302.393 3.485 20 10 DGCDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000179961520 659947789 /nfs/dbraw/zinc/94/77/89/659947789.db2.gz WICJOLUONDLBOJ-NSHDSACASA-N 1 1 311.809 3.209 20 10 DGCDMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000180024804 659949677 /nfs/dbraw/zinc/94/96/77/659949677.db2.gz CKOVFPBNSALMLV-HNNXBMFYSA-N 1 1 320.433 3.224 20 10 DGCDMO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(C)c1O)CC2 ZINC000183507711 660119523 /nfs/dbraw/zinc/11/95/23/660119523.db2.gz FISQCMHKXYDREP-UHFFFAOYSA-N 1 1 313.397 3.276 20 10 DGCDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2)nc1 ZINC000934342951 661699811 /nfs/dbraw/zinc/69/98/11/661699811.db2.gz FBOLLIFLIZCVDB-IBGZPJMESA-N 1 1 311.429 3.493 20 10 DGCDMO CCOC(C)(C)C[NH2+]Cc1cccc(Br)c1O ZINC000159221255 661884288 /nfs/dbraw/zinc/88/42/88/661884288.db2.gz MNTVHSHOZICQSP-UHFFFAOYSA-N 1 1 302.212 3.059 20 10 DGCDMO COCCO[C@@H]1CC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000188927021 661954015 /nfs/dbraw/zinc/95/40/15/661954015.db2.gz YIAUBKMEJIHZJH-MRXNPFEDSA-N 1 1 321.461 3.235 20 10 DGCDMO COCCO[C@@H]1CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000188928964 661954027 /nfs/dbraw/zinc/95/40/27/661954027.db2.gz VNFAHLLFVGPZFP-MRXNPFEDSA-N 1 1 307.434 3.061 20 10 DGCDMO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](CCC)Cc1ccccc1O ZINC000076074404 661966818 /nfs/dbraw/zinc/96/68/18/661966818.db2.gz TVLNVRNFBVTWNR-HUUCEWRRSA-N 1 1 306.450 3.298 20 10 DGCDMO CN(C)c1ccc(CN2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000195662018 662192526 /nfs/dbraw/zinc/19/25/26/662192526.db2.gz TVSCQHWNPNGVFO-UHFFFAOYSA-N 1 1 323.484 3.461 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCCN(Cc3ccccc3)CC2)cc1 ZINC000195662018 662192527 /nfs/dbraw/zinc/19/25/27/662192527.db2.gz TVSCQHWNPNGVFO-UHFFFAOYSA-N 1 1 323.484 3.461 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCCN(Cc3ccccc3)CC2)cc1 ZINC000195662018 662192529 /nfs/dbraw/zinc/19/25/29/662192529.db2.gz TVSCQHWNPNGVFO-UHFFFAOYSA-N 1 1 323.484 3.461 20 10 DGCDMO Cc1ccc([C@H](C)[NH2+]Cc2n[nH]cc2Br)c(O)c1 ZINC000718127174 662229985 /nfs/dbraw/zinc/22/99/85/662229985.db2.gz VCBPAFIGHRZOCQ-VIFPVBQESA-N 1 1 310.195 3.037 20 10 DGCDMO COc1cccc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1O ZINC000093324805 662352330 /nfs/dbraw/zinc/35/23/30/662352330.db2.gz IFBYATLEIJMXFA-ZDUSSCGKSA-N 1 1 301.386 3.169 20 10 DGCDMO Fc1cc(C[N@H+]2CCC3(CCCC3)C2)ccc1N1CCOCC1 ZINC000093336614 662353055 /nfs/dbraw/zinc/35/30/55/662353055.db2.gz PLCUZZHSIFRSLM-UHFFFAOYSA-N 1 1 318.436 3.428 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000093637863 662357626 /nfs/dbraw/zinc/35/76/26/662357626.db2.gz FNVMYWQYDMOFKN-OAQYLSRUSA-N 1 1 322.452 3.427 20 10 DGCDMO COc1cccc(C[N@H+]2CCOC3(C2)CCCCCC3)c1O ZINC000093769225 662359696 /nfs/dbraw/zinc/35/96/96/662359696.db2.gz NAMNWTUYWYXPRL-UHFFFAOYSA-N 1 1 305.418 3.326 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)Cc2cccc(N(C)C)c2)c1O ZINC000093845680 662360184 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c1cnc(C2([NH2+]Cc3ccc(N4CCCC4)cc3)CCC2)nc1 ZINC001331257603 1178167403 /nfs/dbraw/zinc/16/74/03/1178167403.db2.gz NDWFJAUVVZIGAX-UHFFFAOYSA-N 1 1 308.429 3.246 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC001331493449 1178226916 /nfs/dbraw/zinc/22/69/16/1178226916.db2.gz UAXNIVGTVWJPAX-ZDUSSCGKSA-N 1 1 311.410 3.386 20 10 DGCDMO COc1ccc(F)cc1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001331511024 1178231532 /nfs/dbraw/zinc/23/15/32/1178231532.db2.gz OQGDHOXLELGIBM-UHFFFAOYSA-N 1 1 324.346 3.468 20 10 DGCDMO c1nc2c([nH]1)C1(CCC1)[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001332009040 1178334625 /nfs/dbraw/zinc/33/46/25/1178334625.db2.gz BTTBFRWNTLHWSQ-UHFFFAOYSA-N 1 1 322.456 3.447 20 10 DGCDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001336116219 1178995042 /nfs/dbraw/zinc/99/50/42/1178995042.db2.gz DAOWOWCOGLYCMX-KRWDZBQOSA-N 1 1 317.477 3.177 20 10 DGCDMO CC[C@H](O)CCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC001200724073 1180855684 /nfs/dbraw/zinc/85/56/84/1180855684.db2.gz QNOARLRYSUMPAJ-LBPRGKRZSA-N 1 1 316.239 3.104 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C[C@@H]2CCCC[C@@H]2O)C2CC2)cc1 ZINC001459354817 1182582040 /nfs/dbraw/zinc/58/20/40/1182582040.db2.gz WXTJOFFMVFBWLA-LPHOPBHVSA-N 1 1 302.462 3.268 20 10 DGCDMO CCOCc1cc(CNC[C@@H](C)C[NH+]2CCCC2)ccc1OC ZINC001461065775 1182763218 /nfs/dbraw/zinc/76/32/18/1182763218.db2.gz VRFVFYVLSYKOPE-MRXNPFEDSA-N 1 1 320.477 3.053 20 10 DGCDMO CC(C)C[N@@H+]1CCC[C@H](CNCc2ccc(N(C)C)c(F)c2)C1 ZINC001461365888 1182799437 /nfs/dbraw/zinc/79/94/37/1182799437.db2.gz UEPIKBJZJSRQHS-QGZVFWFLSA-N 1 1 321.484 3.349 20 10 DGCDMO CC(C)C[N@H+]1CCC[C@H](CNCc2ccc(N(C)C)c(F)c2)C1 ZINC001461365888 1182799440 /nfs/dbraw/zinc/79/94/40/1182799440.db2.gz UEPIKBJZJSRQHS-QGZVFWFLSA-N 1 1 321.484 3.349 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCc1ccc(F)c(F)c1F ZINC001461381151 1182803087 /nfs/dbraw/zinc/80/30/87/1182803087.db2.gz PMDGCBIVAOCUOB-UHFFFAOYSA-N 1 1 317.257 3.420 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CC[C@H]2C(C)C)c2cc(F)ccc2n1C ZINC001461998559 1182893795 /nfs/dbraw/zinc/89/37/95/1182893795.db2.gz PLRGWMWDTKICKR-HNNXBMFYSA-N 1 1 318.392 3.334 20 10 DGCDMO COCC[C@H](Cc1ccco1)[NH2+]Cc1cc(F)c(F)cc1O ZINC001462089954 1182905646 /nfs/dbraw/zinc/90/56/46/1182905646.db2.gz YMMWAAZQHVKCRS-GFCCVEGCSA-N 1 1 311.328 3.001 20 10 DGCDMO C[N@@H+](Cc1cnn2c1CCC2)Cc1ccc(N2CCCC2)cc1 ZINC001462206810 1182923313 /nfs/dbraw/zinc/92/33/13/1182923313.db2.gz NEXBHKHDPQUPSI-UHFFFAOYSA-N 1 1 310.445 3.062 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC001462377212 1182943545 /nfs/dbraw/zinc/94/35/45/1182943545.db2.gz PXFTWUJTXLBPPA-VZSQWMKGSA-N 1 1 300.446 3.267 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@]3(C(=O)OC)CCC[C@@H]23)cc1 ZINC001473777173 1183800846 /nfs/dbraw/zinc/80/08/46/1183800846.db2.gz JHUCJZVUEVRMLV-MJGOQNOKSA-N 1 1 316.445 3.060 20 10 DGCDMO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc3cncn3c2)cc1 ZINC001474173994 1183877365 /nfs/dbraw/zinc/87/73/65/1183877365.db2.gz HJIPDRZUIVDLHF-ONEGZZNKSA-N 1 1 306.413 3.203 20 10 DGCDMO CC1(C)CC[N@H+](CCNCc2ccc(N3CCCCC3)cc2)C1 ZINC001474295212 1183898532 /nfs/dbraw/zinc/89/85/32/1183898532.db2.gz YYMQZNGANCKRIK-UHFFFAOYSA-N 1 1 315.505 3.498 20 10 DGCDMO CC1(C)CC[N@@H+](CCNCc2ccc(N3CCCCC3)cc2)C1 ZINC001474295212 1183898538 /nfs/dbraw/zinc/89/85/38/1183898538.db2.gz YYMQZNGANCKRIK-UHFFFAOYSA-N 1 1 315.505 3.498 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2C[C@@]2(C)Br)cc1 ZINC001474307434 1183902108 /nfs/dbraw/zinc/90/21/08/1183902108.db2.gz LXNVTJNSUGXOEJ-UKRRQHHQSA-N 1 1 311.267 3.358 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)CC1(c2ccc3c(c2)OCO3)CC1 ZINC001474376821 1183912281 /nfs/dbraw/zinc/91/22/81/1183912281.db2.gz UNEMZVRLENHFFU-UHFFFAOYSA-N 1 1 311.381 3.285 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC001474379236 1183913581 /nfs/dbraw/zinc/91/35/81/1183913581.db2.gz RSJVGPPPJPJOSP-LBPRGKRZSA-N 1 1 303.793 3.215 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)[C@@H](CO)CC(C)(C)C)cc1 ZINC001474527274 1183936123 /nfs/dbraw/zinc/93/61/23/1183936123.db2.gz WMBJHXLCNHHNJN-LKGOPFMKSA-N 1 1 304.478 3.495 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1O ZINC001474646702 1183954737 /nfs/dbraw/zinc/95/47/37/1183954737.db2.gz GXJRFZXUFBHQEA-DOTOQJQBSA-N 1 1 320.477 3.261 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CN(C)C)c1O ZINC001474646702 1183954743 /nfs/dbraw/zinc/95/47/43/1183954743.db2.gz GXJRFZXUFBHQEA-DOTOQJQBSA-N 1 1 320.477 3.261 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)CN(C)C)c1O ZINC001474646702 1183954748 /nfs/dbraw/zinc/95/47/48/1183954748.db2.gz GXJRFZXUFBHQEA-DOTOQJQBSA-N 1 1 320.477 3.261 20 10 DGCDMO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3O)C2)nc1 ZINC001474649696 1183955980 /nfs/dbraw/zinc/95/59/80/1183955980.db2.gz GBJIZBJXELKVPH-AWEZNQCLSA-N 1 1 320.339 3.027 20 10 DGCDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C2)nc1 ZINC001474649696 1183955985 /nfs/dbraw/zinc/95/59/85/1183955985.db2.gz GBJIZBJXELKVPH-AWEZNQCLSA-N 1 1 320.339 3.027 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC(C)(C)CC[C@H]2CO)cc1 ZINC001474682213 1183960964 /nfs/dbraw/zinc/96/09/64/1183960964.db2.gz ULQLJUYXECFBHZ-QWNKOJSDSA-N 1 1 302.462 3.249 20 10 DGCDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001474727654 1183969306 /nfs/dbraw/zinc/96/93/06/1183969306.db2.gz JCXZVEQNVGDIPS-GFCCVEGCSA-N 1 1 321.808 3.192 20 10 DGCDMO COc1ccc(N2CC[NH+](Cc3cc(C)c(C)o3)CC2)cc1 ZINC000008675515 1193438637 /nfs/dbraw/zinc/43/86/37/1193438637.db2.gz DYAZCRNPSXZPME-UHFFFAOYSA-N 1 1 300.402 3.227 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C2CC(OC(C)(C)C)C2)cc1 ZINC001559966708 1189263992 /nfs/dbraw/zinc/26/39/92/1189263992.db2.gz JAGGSPJAEWZNHH-UHFFFAOYSA-N 1 1 320.477 3.409 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1 ZINC001560014162 1189268932 /nfs/dbraw/zinc/26/89/32/1189268932.db2.gz LWDUNWXOOGIJSN-GUYCJALGSA-N 1 1 312.404 3.387 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1 ZINC001560014162 1189268937 /nfs/dbraw/zinc/26/89/37/1189268937.db2.gz LWDUNWXOOGIJSN-GUYCJALGSA-N 1 1 312.404 3.387 20 10 DGCDMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C)cc1O ZINC001560818298 1189386203 /nfs/dbraw/zinc/38/62/03/1189386203.db2.gz HPSWZYKNSIKCHB-MRXNPFEDSA-N 1 1 320.433 3.143 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)C(C)(C)CN2CCOCC2)c1 ZINC001560882288 1189399394 /nfs/dbraw/zinc/39/93/94/1189399394.db2.gz GZHINLGQIHJSKD-UHFFFAOYSA-N 1 1 320.477 3.058 20 10 DGCDMO CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]Cc1c(O)cccc1F)C2 ZINC001561016009 1189420828 /nfs/dbraw/zinc/42/08/28/1189420828.db2.gz MKEBYOSQOANZGM-VBHSOAQHSA-N 1 1 321.392 3.133 20 10 DGCDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(Cl)cc2O)cc1 ZINC001657525463 1196151544 /nfs/dbraw/zinc/15/15/44/1196151544.db2.gz BRFIMYZLALQBRP-UHFFFAOYSA-N 1 1 305.805 3.349 20 10 DGCDMO CCC[N@H+](C)CC(C)(C)NC/C=C/c1ccc(N(C)C)cc1 ZINC001657720368 1196171768 /nfs/dbraw/zinc/17/17/68/1196171768.db2.gz UGQXQMWCVLTVFX-CMDGGOBGSA-N 1 1 303.494 3.476 20 10 DGCDMO CCC[N@@H+](C)CC(C)(C)NC/C=C/c1ccc(N(C)C)cc1 ZINC001657720368 1196171774 /nfs/dbraw/zinc/17/17/74/1196171774.db2.gz UGQXQMWCVLTVFX-CMDGGOBGSA-N 1 1 303.494 3.476 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1 ZINC001621280902 1193826808 /nfs/dbraw/zinc/82/68/08/1193826808.db2.gz MMJMAURIDANACI-IBGZPJMESA-N 1 1 319.445 3.286 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC001621477568 1193848006 /nfs/dbraw/zinc/84/80/06/1193848006.db2.gz UATGKJHMUVHKFD-VWKPWSFCSA-N 1 1 307.459 3.001 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001621567212 1193859361 /nfs/dbraw/zinc/85/93/61/1193859361.db2.gz GCASHHFFDCMGBG-SFHVURJKSA-N 1 1 301.361 3.495 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccccc3)CC2)c1 ZINC001621567806 1193859431 /nfs/dbraw/zinc/85/94/31/1193859431.db2.gz TZTRFOWJPNLAOE-IBGZPJMESA-N 1 1 313.397 3.364 20 10 DGCDMO Cc1c([C@H](C)[NH2+]Cc2cccc(Br)c2O)cnn1C ZINC000048797123 1194491262 /nfs/dbraw/zinc/49/12/62/1194491262.db2.gz VSAHEXJHMWFXNN-VIFPVBQESA-N 1 1 324.222 3.047 20 10 DGCDMO Cc1ccc2[nH]c(C[NH2+]Cc3ccc(N(C)C)c(F)c3)nc2c1 ZINC001647037177 1195243009 /nfs/dbraw/zinc/24/30/09/1195243009.db2.gz QQPGCTQLZWKOPA-UHFFFAOYSA-N 1 1 312.392 3.366 20 10 DGCDMO Cc1ccc2nc(C[NH2+]Cc3ccc(N(C)C)c(F)c3)[nH]c2c1 ZINC001647037177 1195243011 /nfs/dbraw/zinc/24/30/11/1195243011.db2.gz QQPGCTQLZWKOPA-UHFFFAOYSA-N 1 1 312.392 3.366 20 10 DGCDMO CC(C)[C@@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001648591424 1195311261 /nfs/dbraw/zinc/31/12/61/1195311261.db2.gz LDGVNOFIRZHVHX-PMACEKPBSA-N 1 1 315.505 3.447 20 10 DGCDMO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(N(C)C)cc1 ZINC001648591424 1195311263 /nfs/dbraw/zinc/31/12/63/1195311263.db2.gz LDGVNOFIRZHVHX-PMACEKPBSA-N 1 1 315.505 3.447 20 10 DGCDMO Cc1noc([C@@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)C(C)C)n1 ZINC001648680835 1195321847 /nfs/dbraw/zinc/32/18/47/1195321847.db2.gz PPONJHZEHWRTIR-INIZCTEOSA-N 1 1 302.422 3.239 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@@H+]2CCc3ccccc3[C@H]2C(N)=O)c1 ZINC001651919540 1195522917 /nfs/dbraw/zinc/52/29/17/1195522917.db2.gz QFDGQCNFVRJKPD-IBGZPJMESA-N 1 1 324.424 3.100 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCc3ccccc3[C@H]2C(N)=O)c1 ZINC001651919540 1195522920 /nfs/dbraw/zinc/52/29/20/1195522920.db2.gz QFDGQCNFVRJKPD-IBGZPJMESA-N 1 1 324.424 3.100 20 10 DGCDMO Cc1cc(N(C)C)ccc1CNCC[C@@H](C)[NH+]1CCCCC1 ZINC001652181232 1195558948 /nfs/dbraw/zinc/55/89/48/1195558948.db2.gz GSFNYALUCNNLST-QGZVFWFLSA-N 1 1 303.494 3.415 20 10 DGCDMO COC(=O)c1c(C[N@@H+](C)[C@H](C)C2CC2)c2cc(F)ccc2n1C ZINC001652481020 1195603796 /nfs/dbraw/zinc/60/37/96/1195603796.db2.gz KXIWEWPCXUZIAV-LLVKDONJSA-N 1 1 318.392 3.334 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC001652548432 1195616354 /nfs/dbraw/zinc/61/63/54/1195616354.db2.gz MDNTZPIKYJHYAQ-HNNXBMFYSA-N 1 1 313.731 3.147 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c1O ZINC001652631415 1195629124 /nfs/dbraw/zinc/62/91/24/1195629124.db2.gz JDGBNFCYXBSOIZ-WDEREUQCSA-N 1 1 303.736 3.141 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC001653118018 1195689979 /nfs/dbraw/zinc/68/99/79/1195689979.db2.gz YAMVJOVGJYXTRT-UHFFFAOYSA-N 1 1 319.355 3.142 20 10 DGCDMO CN(C)c1ccc(CN[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1F ZINC001656641076 1196057414 /nfs/dbraw/zinc/05/74/14/1196057414.db2.gz BDNFOKPFIXIXCG-QGZVFWFLSA-N 1 1 319.468 3.246 20 10 DGCDMO CN(C)c1ccc(C[NH2+][C@@H]2CCN(CC3CCCC3)C2)cc1F ZINC001656641076 1196057416 /nfs/dbraw/zinc/05/74/16/1196057416.db2.gz BDNFOKPFIXIXCG-QGZVFWFLSA-N 1 1 319.468 3.246 20 10 DGCDMO C[C@H](CNCc1ccc(N2CCCC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC001656761415 1196069917 /nfs/dbraw/zinc/06/99/17/1196069917.db2.gz NZXYUMRLLXERRX-ZWKOTPCHSA-N 1 1 315.505 3.497 20 10 DGCDMO C[C@H](CNCc1ccc(N2CCCC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC001656761415 1196069919 /nfs/dbraw/zinc/06/99/19/1196069919.db2.gz NZXYUMRLLXERRX-ZWKOTPCHSA-N 1 1 315.505 3.497 20 10 DGCDMO 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COC(=O)[C@@H]1CCCCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001205346982 1091194808 /nfs/dbraw/zinc/19/48/08/1091194808.db2.gz INGLEUBEVIADAS-ZEVQVBBLSA-N 1 1 316.445 3.183 20 10 DGCDMO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCC[C@@H]1C ZINC001138497037 1091205594 /nfs/dbraw/zinc/20/55/94/1091205594.db2.gz YNWFQFFHODXNRE-IRXDYDNUSA-N 1 1 302.462 3.391 20 10 DGCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001137837657 1091206846 /nfs/dbraw/zinc/20/68/46/1091206846.db2.gz PZOZWBVWSAOAFY-CQSZACIVSA-N 1 1 305.324 3.324 20 10 DGCDMO Oc1cccc(F)c1C[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001137837657 1091206857 /nfs/dbraw/zinc/20/68/57/1091206857.db2.gz PZOZWBVWSAOAFY-CQSZACIVSA-N 1 1 305.324 3.324 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC001205414737 1091215492 /nfs/dbraw/zinc/21/54/92/1091215492.db2.gz PEMGKCBDNQXFPN-AWEZNQCLSA-N 1 1 309.287 3.423 20 10 DGCDMO Cc1cccc(C)c1N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137841541 1091225361 /nfs/dbraw/zinc/22/53/61/1091225361.db2.gz 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Oc1c(Cl)cc(F)cc1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222397061 1095593084 /nfs/dbraw/zinc/59/30/84/1095593084.db2.gz ZMJLLKMVONFFLP-INIZCTEOSA-N 1 1 312.816 3.293 20 10 DGCDMO COc1ccc(NCc2cc(Br)ccc2O)[nH+]c1C ZINC001171175757 1095643950 /nfs/dbraw/zinc/64/39/50/1095643950.db2.gz CMLWOZQAVNPHKZ-UHFFFAOYSA-N 1 1 323.190 3.479 20 10 DGCDMO Oc1c(Cl)cccc1CN1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222563081 1095669437 /nfs/dbraw/zinc/66/94/37/1095669437.db2.gz GEQAELCPDJEDKT-RDJZCZTQSA-N 1 1 314.816 3.117 20 10 DGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC001144500314 1095689042 /nfs/dbraw/zinc/68/90/42/1095689042.db2.gz RWMKRMJRXSRGAS-OAHLLOKOSA-N 1 1 303.333 3.280 20 10 DGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)c(O)c1 ZINC001144520622 1095696981 /nfs/dbraw/zinc/69/69/81/1095696981.db2.gz WRDBJAYAPXGLGQ-OAHLLOKOSA-N 1 1 321.323 3.419 20 10 DGCDMO C[N@@H+](Cc1c(O)cc(O)cc1O)C12CC3CC(CC(C3)C1)C2 ZINC001144509072 1095698451 /nfs/dbraw/zinc/69/84/51/1095698451.db2.gz KCBKOVMCQURMDC-UHFFFAOYSA-N 1 1 303.402 3.204 20 10 DGCDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1c(O)cc(O)cc1O ZINC001144514554 1095701144 /nfs/dbraw/zinc/70/11/44/1095701144.db2.gz KJZCHNLOSPOSED-LLVKDONJSA-N 1 1 303.358 3.005 20 10 DGCDMO CC(C)OCC[NH+](CCOC(C)C)Cc1c(O)cccc1F ZINC001137837319 1095756132 /nfs/dbraw/zinc/75/61/32/1095756132.db2.gz BBDHLMPYXKVECD-UHFFFAOYSA-N 1 1 313.413 3.183 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)c(C)n1-c1ccccc1 ZINC001137854347 1095768122 /nfs/dbraw/zinc/76/81/22/1095768122.db2.gz SBHBNVQUENCWSB-RBUKOAKNSA-N 1 1 316.420 3.389 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)c(C)n1-c1ccccc1 ZINC001137854347 1095768136 /nfs/dbraw/zinc/76/81/36/1095768136.db2.gz SBHBNVQUENCWSB-RBUKOAKNSA-N 1 1 316.420 3.389 20 10 DGCDMO CCOC(=O)CC[N@@H+](C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137857872 1095769613 /nfs/dbraw/zinc/76/96/13/1095769613.db2.gz MYNLEWRVDGRHEI-UHFFFAOYSA-N 1 1 314.429 3.479 20 10 DGCDMO Oc1ccc2c(c1)OCC[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001117628479 1095787392 /nfs/dbraw/zinc/78/73/92/1095787392.db2.gz HJNJRFPVMNHLGW-UHFFFAOYSA-N 1 1 324.424 3.387 20 10 DGCDMO Oc1ccc2c(c1)OCC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001117628479 1095787406 /nfs/dbraw/zinc/78/74/06/1095787406.db2.gz HJNJRFPVMNHLGW-UHFFFAOYSA-N 1 1 324.424 3.387 20 10 DGCDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1cccc(F)c1[O-] ZINC001138129601 1095898409 /nfs/dbraw/zinc/89/84/09/1095898409.db2.gz MDUNJYKYSWDYCO-UHFFFAOYSA-N 1 1 303.377 3.304 20 10 DGCDMO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1O ZINC001138129601 1095898422 /nfs/dbraw/zinc/89/84/22/1095898422.db2.gz MDUNJYKYSWDYCO-UHFFFAOYSA-N 1 1 303.377 3.304 20 10 DGCDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1cccc(F)c1O ZINC001138129601 1095898437 /nfs/dbraw/zinc/89/84/37/1095898437.db2.gz MDUNJYKYSWDYCO-UHFFFAOYSA-N 1 1 303.377 3.304 20 10 DGCDMO C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc(F)c1[O-] ZINC001138128358 1095898776 /nfs/dbraw/zinc/89/87/76/1095898776.db2.gz FLIANHQVQQHFHI-JKSUJKDBSA-N 1 1 306.425 3.370 20 10 DGCDMO C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC001138128358 1095898799 /nfs/dbraw/zinc/89/87/99/1095898799.db2.gz FLIANHQVQQHFHI-JKSUJKDBSA-N 1 1 306.425 3.370 20 10 DGCDMO C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC001138128358 1095898821 /nfs/dbraw/zinc/89/88/21/1095898821.db2.gz FLIANHQVQQHFHI-JKSUJKDBSA-N 1 1 306.425 3.370 20 10 DGCDMO CCCc1noc(C2CC[NH+](Cc3cccc(F)c3O)CC2)n1 ZINC001138128415 1095900083 /nfs/dbraw/zinc/90/00/83/1095900083.db2.gz ILWPCIKKBMJTSY-UHFFFAOYSA-N 1 1 319.380 3.246 20 10 DGCDMO Cc1ccc(N2CC[NH+](Cc3cccc(F)c3O)CC2)c(C)c1 ZINC001138128318 1095900709 /nfs/dbraw/zinc/90/07/09/1095900709.db2.gz CMBVMHYVWNVCMA-UHFFFAOYSA-N 1 1 314.404 3.470 20 10 DGCDMO Oc1cccc(Br)c1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC001118855160 1096092702 /nfs/dbraw/zinc/09/27/02/1096092702.db2.gz AWLPTKOIGCPHLI-GFCCVEGCSA-N 1 1 322.206 3.045 20 10 DGCDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ccc(N(C)C)cc2)C1 ZINC001227939379 1097017097 /nfs/dbraw/zinc/01/70/97/1097017097.db2.gz UXCUTQUIIQHCLC-MAUKXSAKSA-N 1 1 311.429 3.362 20 10 DGCDMO CCOCC[C@@H](C)[N@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001172428527 1097137773 /nfs/dbraw/zinc/13/77/73/1097137773.db2.gz ITZIGNQDGINFAJ-CQSZACIVSA-N 1 1 316.445 3.360 20 10 DGCDMO CC(C)OCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001172451318 1097157629 /nfs/dbraw/zinc/15/76/29/1097157629.db2.gz PLJNFDFFSMJSSR-QGZVFWFLSA-N 1 1 320.477 3.159 20 10 DGCDMO C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C1(C)COC1 ZINC001231469399 1097754843 /nfs/dbraw/zinc/75/48/43/1097754843.db2.gz CBZMSUMPHMYSSP-UHFFFAOYSA-N 1 1 313.397 3.192 20 10 DGCDMO COc1ccc(Br)c(C[NH+]2CC(C)(C)C2)c1O ZINC001231547465 1097778271 /nfs/dbraw/zinc/77/82/71/1097778271.db2.gz GHWPSGYPNTUQPW-UHFFFAOYSA-N 1 1 300.196 3.005 20 10 DGCDMO O=C1C[N@H+](Cc2c(O)ccc3ccccc32)CCN1C1CCCC1 ZINC001231590276 1097785398 /nfs/dbraw/zinc/78/53/98/1097785398.db2.gz PNRZFIYPNADBLU-UHFFFAOYSA-N 1 1 324.424 3.132 20 10 DGCDMO O=C1C[N@@H+](Cc2c(O)ccc3ccccc32)CCN1C1CCCC1 ZINC001231590276 1097785401 /nfs/dbraw/zinc/78/54/01/1097785401.db2.gz PNRZFIYPNADBLU-UHFFFAOYSA-N 1 1 324.424 3.132 20 10 DGCDMO Cc1cccc(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)c1O ZINC001231594065 1097787089 /nfs/dbraw/zinc/78/70/89/1097787089.db2.gz SHOXDLRAEYDIJU-UHFFFAOYSA-N 1 1 308.425 3.018 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c1O ZINC001231594815 1097787956 /nfs/dbraw/zinc/78/79/56/1097787956.db2.gz PMPSEVSSQKZWKF-HNNXBMFYSA-N 1 1 305.418 3.397 20 10 DGCDMO Cc1cccc(C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1O ZINC001231594658 1097788222 /nfs/dbraw/zinc/78/82/22/1097788222.db2.gz MPGZPYJLLLQJGP-UYAOXDASSA-N 1 1 322.452 3.407 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H](c3ccccc3)C2)c(O)cc1O ZINC001231637083 1097796953 /nfs/dbraw/zinc/79/69/53/1097796953.db2.gz ZXDUGQIPEPQNNE-HNNXBMFYSA-N 1 1 313.397 3.486 20 10 DGCDMO Cc1cc(C)c(C[N@@H+]2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c(O)c1 ZINC001231847615 1097861766 /nfs/dbraw/zinc/86/17/66/1097861766.db2.gz BSJGTZQEGKZWTM-ZWKOTPCHSA-N 1 1 320.452 3.407 20 10 DGCDMO Cc1cc(C)c(C[N@H+]2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c(O)c1 ZINC001231847615 1097861772 /nfs/dbraw/zinc/86/17/72/1097861772.db2.gz BSJGTZQEGKZWTM-ZWKOTPCHSA-N 1 1 320.452 3.407 20 10 DGCDMO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231847804 1097861786 /nfs/dbraw/zinc/86/17/86/1097861786.db2.gz DYEQBXVHLXKQFZ-OAHLLOKOSA-N 1 1 305.418 3.174 20 10 DGCDMO CCOCc1noc2c1C[N@@H+](Cc1c(C)cc(C)cc1O)CC2 ZINC001231846002 1097862600 /nfs/dbraw/zinc/86/26/00/1097862600.db2.gz XHFHWNHGSOBMCA-UHFFFAOYSA-N 1 1 316.401 3.092 20 10 DGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]1C(C)(C)OC ZINC001231853393 1097865776 /nfs/dbraw/zinc/86/57/76/1097865776.db2.gz JTEUESOVIJPXMG-QGZVFWFLSA-N 1 1 306.450 3.151 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](CCO)Cc2cccs2)cc1Cl ZINC001231868688 1097869675 /nfs/dbraw/zinc/86/96/75/1097869675.db2.gz FESRWECWDJLRAX-UHFFFAOYSA-N 1 1 311.834 3.410 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1Cl ZINC001231870685 1097872296 /nfs/dbraw/zinc/87/22/96/1097872296.db2.gz OGUXDDGTFUWETO-HNNXBMFYSA-N 1 1 318.804 3.402 20 10 DGCDMO Cc1noc([C@@H]2CC[N@@H+](Cc3ccc4ccccc4c3O)C2)n1 ZINC001231880303 1097877426 /nfs/dbraw/zinc/87/74/26/1097877426.db2.gz BJJIHYVNSQJWBU-OAHLLOKOSA-N 1 1 309.369 3.226 20 10 DGCDMO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc4ccccc4c3O)C2)O1 ZINC001231882036 1097878718 /nfs/dbraw/zinc/87/87/18/1097878718.db2.gz DYEVDCDMSOPAGK-LJQANCHMSA-N 1 1 311.381 3.217 20 10 DGCDMO Oc1c(Cl)cccc1CN1CC[NH+](CC2CCCC2)CC1 ZINC001231912219 1097890047 /nfs/dbraw/zinc/89/00/47/1097890047.db2.gz ZWOWCVNBJSOGKU-UHFFFAOYSA-N 1 1 308.853 3.353 20 10 DGCDMO COc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232260856 1097984708 /nfs/dbraw/zinc/98/47/08/1097984708.db2.gz RXYQUQVKWCPOHI-UHFFFAOYSA-N 1 1 319.788 3.318 20 10 DGCDMO COc1ccc2c(c1)C[N@H+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232260856 1097984713 /nfs/dbraw/zinc/98/47/13/1097984713.db2.gz RXYQUQVKWCPOHI-UHFFFAOYSA-N 1 1 319.788 3.318 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@](C)(O)CC2)cc1Cl ZINC001232266172 1097986965 /nfs/dbraw/zinc/98/69/65/1097986965.db2.gz JRYJNIADEXJHGE-BDJLRTHQSA-N 1 1 313.825 3.037 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@H](c3ccncc3)C2)cc1Cl ZINC001232264149 1097987179 /nfs/dbraw/zinc/98/71/79/1097987179.db2.gz FLQWXOBFCOTZAN-ZDUSSCGKSA-N 1 1 318.804 3.439 20 10 DGCDMO CC[N@@H+](Cc1ccccn1)Cc1cc(Cl)c(OC)cc1O ZINC001232269566 1097987969 /nfs/dbraw/zinc/98/79/69/1097987969.db2.gz DYHILRXAWSKDCM-UHFFFAOYSA-N 1 1 306.793 3.471 20 10 DGCDMO Cc1cc(Br)ncc1C[N@H+](C)Cc1ccccc1O ZINC001232317348 1098002777 /nfs/dbraw/zinc/00/27/77/1098002777.db2.gz OPTIFYLVRHWTBG-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CC[C@@](C)(CF)C2)c2ccccc2n1C ZINC001232403149 1098030121 /nfs/dbraw/zinc/03/01/21/1098030121.db2.gz VHIFSPKXQGQXEG-SFHVURJKSA-N 1 1 318.392 3.146 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c(O)c1 ZINC001232833674 1098147941 /nfs/dbraw/zinc/14/79/41/1098147941.db2.gz CHOZGAZOILBCFJ-DGCLKSJQSA-N 1 1 320.330 3.038 20 10 DGCDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232833502 1098148248 /nfs/dbraw/zinc/14/82/48/1098148248.db2.gz AFGTWQZKXYDSPY-UHFFFAOYSA-N 1 1 312.413 3.025 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCc3ccc(F)cc3C2)c(O)c1 ZINC001232840094 1098150178 /nfs/dbraw/zinc/15/01/78/1098150178.db2.gz MQSYMVQUPLFDLX-UHFFFAOYSA-N 1 1 300.377 3.156 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)CC/C=C/c2cccnc2)c(O)c1 ZINC001232840661 1098150887 /nfs/dbraw/zinc/15/08/87/1098150887.db2.gz FQTQPNFNFUTHHD-QPJJXVBHSA-N 1 1 311.429 3.389 20 10 DGCDMO CCOC(=O)c1c(C[N@H+]2C[C@H]3CC[C@@H]2C3)c2ccccc2n1C ZINC001233273124 1098269694 /nfs/dbraw/zinc/26/96/94/1098269694.db2.gz OYGCGEMTIHOXNT-UONOGXRCSA-N 1 1 312.413 3.339 20 10 DGCDMO CCOC(=O)c1c(C[N@@H+](C)CC2CC2)c2ccccc2n1C ZINC001233270371 1098270253 /nfs/dbraw/zinc/27/02/53/1098270253.db2.gz LBIOEOCAAQSDLU-UHFFFAOYSA-N 1 1 300.402 3.197 20 10 DGCDMO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(C3CCC3)CC2)c1 ZINC001233284031 1098274731 /nfs/dbraw/zinc/27/47/31/1098274731.db2.gz 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CCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320490057 1107023701 /nfs/dbraw/zinc/02/37/01/1107023701.db2.gz JRABPPVGIUCUOS-OAHLLOKOSA-N 1 1 307.457 3.198 20 10 DGCDMO c1cn([C@@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)cn1 ZINC001320498186 1107029223 /nfs/dbraw/zinc/02/92/23/1107029223.db2.gz ULCHBOBVGNWRLM-LJQANCHMSA-N 1 1 310.445 3.320 20 10 DGCDMO CCOC(=O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC001320578534 1107059913 /nfs/dbraw/zinc/05/99/13/1107059913.db2.gz MNDCJLYCVLODOH-QGZVFWFLSA-N 1 1 317.429 3.189 20 10 DGCDMO COCCc1cc[nH+]c(NCc2ccc(N3CCCC3)cc2)c1 ZINC001321879212 1107456519 /nfs/dbraw/zinc/45/65/19/1107456519.db2.gz BKGSHYFKMGXUJQ-UHFFFAOYSA-N 1 1 311.429 3.483 20 10 DGCDMO O[C@@]1(C2CC2)CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001261673095 1107501112 /nfs/dbraw/zinc/50/11/12/1107501112.db2.gz KZNRLCZUUJEDFE-IBGZPJMESA-N 1 1 300.446 3.024 20 10 DGCDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001324199698 1108203663 /nfs/dbraw/zinc/20/36/63/1108203663.db2.gz 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C[C@@H](CNCc1ccc(N(C)C)c(F)c1)[N@H+]1CCCC[C@H]1C ZINC001308201345 1111396420 /nfs/dbraw/zinc/39/64/20/1111396420.db2.gz CTBCWRJLQQEYJU-CABCVRRESA-N 1 1 307.457 3.244 20 10 DGCDMO CCC[N@@H+](CCO)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001308662199 1111457646 /nfs/dbraw/zinc/45/76/46/1111457646.db2.gz GEJDPHMCXRINCR-UHFFFAOYSA-N 1 1 324.468 3.454 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c(O)c1 ZINC001308758418 1111470739 /nfs/dbraw/zinc/47/07/39/1111470739.db2.gz SGYYLSANQTUSGM-LSDHHAIUSA-N 1 1 307.434 3.225 20 10 DGCDMO COc1c(O)c(C[NH2+]CC2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001308858124 1111485565 /nfs/dbraw/zinc/48/55/65/1111485565.db2.gz ZYDCILHMOQVAPB-VXGBXAGGSA-N 1 1 322.405 3.471 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)c1 ZINC001308974053 1111503129 /nfs/dbraw/zinc/50/31/29/1111503129.db2.gz JZNFWGOAJDMCGR-UHFFFAOYSA-N 1 1 323.396 3.423 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000179316420 432054139 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COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2sccc2C)c1 ZINC000273370897 130112972 /nfs/dbraw/zinc/11/29/72/130112972.db2.gz GBPAISNUSVBLRO-LLVKDONJSA-N 1 1 305.399 3.400 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000273482395 130126048 /nfs/dbraw/zinc/12/60/48/130126048.db2.gz MFKGBYUPMIJIIT-JDFRZJQESA-N 1 1 321.417 3.033 20 10 DGCDMO C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc(F)cc1O ZINC000284370285 131074742 /nfs/dbraw/zinc/07/47/42/131074742.db2.gz NQGGKQLIFDYTRM-VIFPVBQESA-N 1 1 312.291 3.379 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnc(C(C)(C)C)nc2)cc1 ZINC000284440449 131080922 /nfs/dbraw/zinc/08/09/22/131080922.db2.gz SRVRXTSRIFZKNE-UHFFFAOYSA-N 1 1 312.461 3.472 20 10 DGCDMO CC[C@H]([NH2+]C1CCC(NC(C)=O)CC1)c1ccc(F)cc1O ZINC000286011534 131214900 /nfs/dbraw/zinc/21/49/00/131214900.db2.gz JGPZUCHBQFMOOI-XUJLQICISA-N 1 1 308.397 3.019 20 10 DGCDMO CC[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1O ZINC000286002642 131215494 /nfs/dbraw/zinc/21/54/94/131215494.db2.gz 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CCOCCO[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000138425397 432182240 /nfs/dbraw/zinc/18/22/40/432182240.db2.gz DDRVXBUSKHYYTD-INIZCTEOSA-N 1 1 315.413 3.173 20 10 DGCDMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177974491 228336098 /nfs/dbraw/zinc/33/60/98/228336098.db2.gz JPAVXLSUMFIYAD-JTDSTZFVSA-N 1 1 301.478 3.105 20 10 DGCDMO Cc1c2ccccc2n(C)c1C[NH2+]Cc1c(Cl)cnn1C ZINC000355127190 229303824 /nfs/dbraw/zinc/30/38/24/229303824.db2.gz SRNWPBKGCPTPKZ-UHFFFAOYSA-N 1 1 302.809 3.163 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000282490296 276533447 /nfs/dbraw/zinc/53/34/47/276533447.db2.gz HRYLVTZCTHIYJK-MRXNPFEDSA-N 1 1 315.465 3.340 20 10 DGCDMO Cc1nccn1CC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000270782723 432288753 /nfs/dbraw/zinc/28/87/53/432288753.db2.gz ANRXDPNRSHXUBJ-UHFFFAOYSA-N 1 1 300.450 3.168 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1n1ccnc1 ZINC000191442906 432265661 /nfs/dbraw/zinc/26/56/61/432265661.db2.gz SJPKRNAHUGEQES-RISCZKNCSA-N 1 1 323.799 3.464 20 10 DGCDMO COc1c(C)cnc(C[N@@H+](C)Cc2cccc(C)c2O)c1C ZINC000183783328 432325576 /nfs/dbraw/zinc/32/55/76/432325576.db2.gz GKIMHEIEDRVKFO-UHFFFAOYSA-N 1 1 300.402 3.353 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CCC3(C2)CCOCC3)c(O)c1 ZINC000271177423 432346720 /nfs/dbraw/zinc/34/67/20/432346720.db2.gz BMLFVYKTMBQNTK-UHFFFAOYSA-N 1 1 305.418 3.184 20 10 DGCDMO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Cl)c(Cl)cc1O ZINC000192966927 432434964 /nfs/dbraw/zinc/43/49/64/432434964.db2.gz QBLNGWAWOXVBRQ-LPEHRKFASA-N 1 1 302.201 3.287 20 10 DGCDMO C[C@H](c1ccccc1)[N@@H+](CCn1cncn1)Cc1ccccc1O ZINC000272096206 432443236 /nfs/dbraw/zinc/44/32/36/432443236.db2.gz YYHDQRVEFYNJFL-MRXNPFEDSA-N 1 1 322.412 3.247 20 10 DGCDMO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)[nH]1 ZINC000271499372 432408447 /nfs/dbraw/zinc/40/84/47/432408447.db2.gz LXAJAVRPURYCRJ-STQMWFEESA-N 1 1 301.438 3.235 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C)CCC2CCOCC2)c1O ZINC000184697627 432422369 /nfs/dbraw/zinc/42/23/69/432422369.db2.gz GHAOQQRNFBVOCC-UHFFFAOYSA-N 1 1 313.825 3.303 20 10 DGCDMO COC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1ccc(C)o1 ZINC000184716932 432426222 /nfs/dbraw/zinc/42/62/22/432426222.db2.gz XFOCUKXWKGITRB-HNNXBMFYSA-N 1 1 321.348 3.113 20 10 DGCDMO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1O ZINC000185291200 432487283 /nfs/dbraw/zinc/48/72/83/432487283.db2.gz WBLVVMCCNQXLQP-SNVBAGLBSA-N 1 1 320.330 3.209 20 10 DGCDMO C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000193280352 432462713 /nfs/dbraw/zinc/46/27/13/432462713.db2.gz ALSFMWDXLWIRHL-QQJLPTOTSA-N 1 1 310.246 3.117 20 10 DGCDMO C[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccccc1O ZINC000245824120 432863802 /nfs/dbraw/zinc/86/38/02/432863802.db2.gz XHNCOTVHSFCCDD-NVXWUHKLSA-N 1 1 316.445 3.005 20 10 DGCDMO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)c1 ZINC000277442278 432850561 /nfs/dbraw/zinc/85/05/61/432850561.db2.gz OKIIOJJHGFIRRG-RYUDHWBXSA-N 1 1 318.421 3.273 20 10 DGCDMO C[C@H](c1ccc(F)cc1O)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296587633 432923243 /nfs/dbraw/zinc/92/32/43/432923243.db2.gz UTSHJXTWWGWKMO-CHWSQXEVSA-N 1 1 322.424 3.206 20 10 DGCDMO C[C@H](c1ccc(F)cc1O)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296587633 432923245 /nfs/dbraw/zinc/92/32/45/432923245.db2.gz UTSHJXTWWGWKMO-CHWSQXEVSA-N 1 1 322.424 3.206 20 10 DGCDMO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(F)cc1O ZINC000278504501 432897289 /nfs/dbraw/zinc/89/72/89/432897289.db2.gz QUUOTMAPCJTZSZ-QMMMGPOBSA-N 1 1 313.266 3.099 20 10 DGCDMO COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000278758214 432900460 /nfs/dbraw/zinc/90/04/60/432900460.db2.gz OJDIXKXWUNJXMO-NSHDSACASA-N 1 1 320.364 3.122 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H](C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278905803 432914853 /nfs/dbraw/zinc/91/48/53/432914853.db2.gz RQYIMZBDOJNYLZ-LBPRGKRZSA-N 1 1 316.357 3.468 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1C ZINC000289699188 432971920 /nfs/dbraw/zinc/97/19/20/432971920.db2.gz ONQIFPFUUHOWGF-ZIAGYGMSSA-N 1 1 317.351 3.002 20 10 DGCDMO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2nc(C)no2)c1O ZINC000289907563 432978305 /nfs/dbraw/zinc/97/83/05/432978305.db2.gz UWCGIFSXUJXGAY-CQSZACIVSA-N 1 1 317.389 3.210 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCC[C@@H]2c2nc(C)no2)c1O ZINC000289907563 432978311 /nfs/dbraw/zinc/97/83/11/432978311.db2.gz UWCGIFSXUJXGAY-CQSZACIVSA-N 1 1 317.389 3.210 20 10 DGCDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000290536016 433084407 /nfs/dbraw/zinc/08/44/07/433084407.db2.gz QZMIPLYYEQYYDQ-AWEZNQCLSA-N 1 1 300.358 3.099 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000290953004 433213290 /nfs/dbraw/zinc/21/32/90/433213290.db2.gz QULHPIITXSCJEE-WMZOPIPTSA-N 1 1 317.429 3.324 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1F ZINC000291014714 433216179 /nfs/dbraw/zinc/21/61/79/433216179.db2.gz XEYUAFXLLCAVDY-AWEZNQCLSA-N 1 1 322.815 3.189 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1F ZINC000291014714 433216191 /nfs/dbraw/zinc/21/61/91/433216191.db2.gz XEYUAFXLLCAVDY-AWEZNQCLSA-N 1 1 322.815 3.189 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)c(O)c1 ZINC000290993741 433216351 /nfs/dbraw/zinc/21/63/51/433216351.db2.gz VMEFAQHNXNHOFJ-INIZCTEOSA-N 1 1 315.417 3.133 20 10 DGCDMO COCC(C)(C)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000292746125 433591192 /nfs/dbraw/zinc/59/11/92/433591192.db2.gz HZEFUOCTTDVIRH-UHFFFAOYSA-N 1 1 302.212 3.012 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292802122 433599287 /nfs/dbraw/zinc/59/92/87/433599287.db2.gz NRPGJYJAQPNBHQ-INIZCTEOSA-N 1 1 305.418 3.039 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CSCCS1 ZINC000293511462 433765040 /nfs/dbraw/zinc/76/50/40/433765040.db2.gz CFMBKUNWZZBTGF-SECBINFHSA-N 1 1 307.843 3.123 20 10 DGCDMO CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293667226 433824003 /nfs/dbraw/zinc/82/40/03/433824003.db2.gz QBZIJEITDBRIDE-IAQYHMDHSA-N 1 1 301.789 3.478 20 10 DGCDMO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293667229 433824941 /nfs/dbraw/zinc/82/49/41/433824941.db2.gz QBZIJEITDBRIDE-NHYWBVRUSA-N 1 1 301.789 3.478 20 10 DGCDMO CSCc1cnc(C[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000293995187 433954764 /nfs/dbraw/zinc/95/47/64/433954764.db2.gz FSHROTFMSHPQTM-UHFFFAOYSA-N 1 1 307.488 3.362 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCCO[C@H](C(C)C)C2)c1O ZINC000294000011 433955730 /nfs/dbraw/zinc/95/57/30/433955730.db2.gz MFTFESBTZIPAJC-HNNXBMFYSA-N 1 1 313.825 3.301 20 10 DGCDMO COC[C@@]1(C)CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000294325161 434086382 /nfs/dbraw/zinc/08/63/82/434086382.db2.gz XEEXCLRFASPCRC-INIZCTEOSA-N 1 1 311.809 3.107 20 10 DGCDMO Oc1cc(F)c(Cl)cc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000295436023 434359118 /nfs/dbraw/zinc/35/91/18/434359118.db2.gz UDWAKAXUSWELQK-GFCCVEGCSA-N 1 1 312.816 3.102 20 10 DGCDMO CC[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc(F)cc1O ZINC000367602264 434552112 /nfs/dbraw/zinc/55/21/12/434552112.db2.gz SFFAQBSMZAUJMB-JQHSSLGASA-N 1 1 301.361 3.230 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000368127884 434564991 /nfs/dbraw/zinc/56/49/91/434564991.db2.gz XYZSYQQNFBPZOF-CYBMUJFWSA-N 1 1 312.200 3.343 20 10 DGCDMO CCn1nncc1C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000527917255 435017447 /nfs/dbraw/zinc/01/74/47/435017447.db2.gz SLADISDCXIKBIB-MRVPVSSYSA-N 1 1 315.204 3.161 20 10 DGCDMO Cc1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccn1 ZINC000527536344 435012893 /nfs/dbraw/zinc/01/28/93/435012893.db2.gz WRQDCIRQHPJACG-SFHVURJKSA-N 1 1 312.413 3.277 20 10 DGCDMO C[C@@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1O)c1cccs1 ZINC000293547775 335109127 /nfs/dbraw/zinc/10/91/27/335109127.db2.gz GSPBSOWXAZFXEK-CQSZACIVSA-N 1 1 315.797 3.244 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)ccc1N(C)C ZINC000293580383 335109274 /nfs/dbraw/zinc/10/92/74/335109274.db2.gz NQFCPOKJNFSWLX-OAQYLSRUSA-N 1 1 324.468 3.197 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2cc(F)ccc2O)cc(OC)c1 ZINC000272347312 334033598 /nfs/dbraw/zinc/03/35/98/334033598.db2.gz ZWWVBXZQOQJCNL-UHFFFAOYSA-N 1 1 305.349 3.181 20 10 DGCDMO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C)no2)c(O)c1 ZINC000289845641 334168436 /nfs/dbraw/zinc/16/84/36/334168436.db2.gz PSARWEPOBPTGOD-OAHLLOKOSA-N 1 1 317.389 3.210 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2nc(C)no2)c(O)c1 ZINC000289845641 334168437 /nfs/dbraw/zinc/16/84/37/334168437.db2.gz PSARWEPOBPTGOD-OAHLLOKOSA-N 1 1 317.389 3.210 20 10 DGCDMO CCOCCOCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000191570478 519994057 /nfs/dbraw/zinc/99/40/57/519994057.db2.gz GUAKTXGHCZCWSO-UHFFFAOYSA-N 1 1 320.477 3.162 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CCC[C@](CC)(CO)C2)c(O)c1 ZINC000190212108 520349566 /nfs/dbraw/zinc/34/95/66/520349566.db2.gz GEDTXIXEMBVLGS-SFHVURJKSA-N 1 1 307.434 3.166 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cnccn2)cc1F ZINC000158706331 520911795 /nfs/dbraw/zinc/91/17/95/520911795.db2.gz TYCAEQFKDMCOLA-ZDUSSCGKSA-N 1 1 302.397 3.313 20 10 DGCDMO CCOc1cccc(C[N@@H+](CCO)Cc2ccc(C)cc2)c1O ZINC000180845739 521334076 /nfs/dbraw/zinc/33/40/76/521334076.db2.gz RPKQPHOSAKRQLA-UHFFFAOYSA-N 1 1 315.413 3.094 20 10 DGCDMO CCCn1c(C)nnc1C[N@H+](CCC)Cc1ccccc1O ZINC000159983444 521695484 /nfs/dbraw/zinc/69/54/84/521695484.db2.gz ACGRHMHPMFVTOA-UHFFFAOYSA-N 1 1 302.422 3.114 20 10 DGCDMO CCCn1c(C)nnc1C[N@@H+](CCC)Cc1ccccc1O ZINC000159983444 521695487 /nfs/dbraw/zinc/69/54/87/521695487.db2.gz ACGRHMHPMFVTOA-UHFFFAOYSA-N 1 1 302.422 3.114 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCS[C@@H](C)CC2)c1O ZINC000190694435 522538566 /nfs/dbraw/zinc/53/85/66/522538566.db2.gz OZERORJMUSUODX-JTQLQIEISA-N 1 1 301.839 3.382 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)c1O ZINC000180024287 524403449 /nfs/dbraw/zinc/40/34/49/524403449.db2.gz AWJGLKSZQWXDRX-KRWDZBQOSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1cccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)c1O ZINC000180024287 524403457 /nfs/dbraw/zinc/40/34/57/524403457.db2.gz AWJGLKSZQWXDRX-KRWDZBQOSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1cccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)[nH+]1 ZINC000127795123 524683750 /nfs/dbraw/zinc/68/37/50/524683750.db2.gz LCXJSZUUJRMURT-UHFFFAOYSA-N 1 1 315.392 3.102 20 10 DGCDMO Cc1cccn2cc(C[NH2+]Cc3ccc(N(C)C)c(F)c3)nc12 ZINC000124017145 525472196 /nfs/dbraw/zinc/47/21/96/525472196.db2.gz COGTTYXRNCQBCJ-UHFFFAOYSA-N 1 1 312.392 3.138 20 10 DGCDMO Cc1cncc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000189951828 526192058 /nfs/dbraw/zinc/19/20/58/526192058.db2.gz QXWPKUIQNNNPKA-SFHVURJKSA-N 1 1 312.413 3.277 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC000152794449 527206335 /nfs/dbraw/zinc/20/63/35/527206335.db2.gz VWXZSFORUWKEPP-WBMJQRKESA-N 1 1 323.820 3.249 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC000152794449 527206343 /nfs/dbraw/zinc/20/63/43/527206343.db2.gz VWXZSFORUWKEPP-WBMJQRKESA-N 1 1 323.820 3.249 20 10 DGCDMO Nc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000160422587 527493073 /nfs/dbraw/zinc/49/30/73/527493073.db2.gz PLMMDAPVPXAJNL-GOSISDBHSA-N 1 1 309.413 3.262 20 10 DGCDMO Nc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000238005849 527493793 /nfs/dbraw/zinc/49/37/93/527493793.db2.gz ZBDIVGBZOBHBTG-INIZCTEOSA-N 1 1 309.413 3.120 20 10 DGCDMO CC[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1O ZINC000367554377 529204578 /nfs/dbraw/zinc/20/45/78/529204578.db2.gz SFFAQBSMZAUJMB-BPQIPLTHSA-N 1 1 301.361 3.230 20 10 DGCDMO CC(C)[N@H+](Cc1nc(C2CC2)no1)Cc1ccc(N(C)C)cc1 ZINC000298685265 535119984 /nfs/dbraw/zinc/11/99/84/535119984.db2.gz BGFWJXJIVRJTJH-UHFFFAOYSA-N 1 1 314.433 3.424 20 10 DGCDMO CC(C)[N@@H+](Cc1nc(C2CC2)no1)Cc1ccc(N(C)C)cc1 ZINC000298685265 535119986 /nfs/dbraw/zinc/11/99/86/535119986.db2.gz BGFWJXJIVRJTJH-UHFFFAOYSA-N 1 1 314.433 3.424 20 10 DGCDMO CC[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(F)cc1O ZINC000285535292 535803213 /nfs/dbraw/zinc/80/32/13/535803213.db2.gz BWLFCAJMTOLAFB-MRXNPFEDSA-N 1 1 322.424 3.365 20 10 DGCDMO CC[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(F)cc1O ZINC000285977009 535906106 /nfs/dbraw/zinc/90/61/06/535906106.db2.gz HLMUUMNZGMDINM-RBZFPXEDSA-N 1 1 301.427 3.119 20 10 DGCDMO CC[C@H]1C(=O)NCC[N@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000730257241 574522949 /nfs/dbraw/zinc/52/29/49/574522949.db2.gz WUUZPUQYMHNEDD-HNNXBMFYSA-N 1 1 324.380 3.002 20 10 DGCDMO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000730257241 574522950 /nfs/dbraw/zinc/52/29/50/574522950.db2.gz WUUZPUQYMHNEDD-HNNXBMFYSA-N 1 1 324.380 3.002 20 10 DGCDMO O=C1CCCN1CCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731848329 574560336 /nfs/dbraw/zinc/56/03/36/574560336.db2.gz WKSIBYMYDFYOOR-UHFFFAOYSA-N 1 1 316.445 3.149 20 10 DGCDMO COc1ccc(N2CCC[N@H+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000732198625 574568658 /nfs/dbraw/zinc/56/86/58/574568658.db2.gz ZOKUVYYULUFHCX-MRXNPFEDSA-N 1 1 311.429 3.364 20 10 DGCDMO CCC(CC)[C@@H](CNCc1ccc(N(C)C)c(F)c1)[NH+](C)C ZINC000733324144 574615367 /nfs/dbraw/zinc/61/53/67/574615367.db2.gz JSOVTAPMSMXOON-GOSISDBHSA-N 1 1 309.473 3.348 20 10 DGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000733787551 574638491 /nfs/dbraw/zinc/63/84/91/574638491.db2.gz LHFFCEFDIUEBCU-CQSZACIVSA-N 1 1 300.402 3.189 20 10 DGCDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000734477168 574663790 /nfs/dbraw/zinc/66/37/90/574663790.db2.gz LWCCUDCUOUJOFF-HIFRSBDPSA-N 1 1 311.381 3.499 20 10 DGCDMO CC(C)[C@H]1CN(C)CC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000738285881 574864531 /nfs/dbraw/zinc/86/45/31/574864531.db2.gz QDXSTYFTHXWTFJ-MRXNPFEDSA-N 1 1 320.477 3.167 20 10 DGCDMO CC(C)[C@H]1C[N@H+](C)CCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000738285881 574864532 /nfs/dbraw/zinc/86/45/32/574864532.db2.gz QDXSTYFTHXWTFJ-MRXNPFEDSA-N 1 1 320.477 3.167 20 10 DGCDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000738285881 574864535 /nfs/dbraw/zinc/86/45/35/574864535.db2.gz QDXSTYFTHXWTFJ-MRXNPFEDSA-N 1 1 320.477 3.167 20 10 DGCDMO CCN(CC)c1ccc(CNC[C@@H](C)C[NH+]2CCCC2)cc1F ZINC000740003897 574917843 /nfs/dbraw/zinc/91/78/43/574917843.db2.gz ASJXOEBTNIMMLX-MRXNPFEDSA-N 1 1 321.484 3.493 20 10 DGCDMO CCN(CC)c1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000740003946 574917981 /nfs/dbraw/zinc/91/79/81/574917981.db2.gz DTVWEKWOXPOSFW-IRXDYDNUSA-N 1 1 319.468 3.388 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000741678529 574966330 /nfs/dbraw/zinc/96/63/30/574966330.db2.gz SWPLAYJLXIKOBL-OAHLLOKOSA-N 1 1 319.493 3.268 20 10 DGCDMO CCCOC(=O)[C@@H](C)[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000741785046 574971146 /nfs/dbraw/zinc/97/11/46/574971146.db2.gz NSDGUEGMOMHXHH-CQSZACIVSA-N 1 1 305.418 3.479 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](N3CC=CC3)C2)cc1C(C)C ZINC000742163820 574983514 /nfs/dbraw/zinc/98/35/14/574983514.db2.gz WLEVWAFLNOYJRK-KRWDZBQOSA-N 1 1 300.446 3.270 20 10 DGCDMO CCN(CC)c1ccc(CNCC[N@@H+]2CC[C@@H](C)C2)cc1F ZINC000744450400 575343912 /nfs/dbraw/zinc/34/39/12/575343912.db2.gz SUIXVASEMRUFRB-OAHLLOKOSA-N 1 1 307.457 3.103 20 10 DGCDMO CCN(CC)c1ccc(CNCC[N@H+]2CC[C@@H](C)C2)cc1F ZINC000744450400 575343914 /nfs/dbraw/zinc/34/39/14/575343914.db2.gz SUIXVASEMRUFRB-OAHLLOKOSA-N 1 1 307.457 3.103 20 10 DGCDMO COC(=O)/C(C)=C\C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000748818215 575609718 /nfs/dbraw/zinc/60/97/18/575609718.db2.gz SDKPZNBJUDEAKC-KAMYIIQDSA-N 1 1 303.402 3.256 20 10 DGCDMO CC[N@@H+](CCc1ccccn1)Cc1cc(F)cc(C(C)=O)c1O ZINC000750819450 575753489 /nfs/dbraw/zinc/75/34/89/575753489.db2.gz PFXNYCFCNTXPSY-UHFFFAOYSA-N 1 1 316.376 3.194 20 10 DGCDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)C1(C)C ZINC000750826909 575753994 /nfs/dbraw/zinc/75/39/94/575753994.db2.gz UBWXMYMEQWXKHN-JKSUJKDBSA-N 1 1 323.408 3.369 20 10 DGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2O)C1(C)C ZINC000750826909 575753996 /nfs/dbraw/zinc/75/39/96/575753996.db2.gz UBWXMYMEQWXKHN-JKSUJKDBSA-N 1 1 323.408 3.369 20 10 DGCDMO COC[C@@H]1CCC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000751945625 575813879 /nfs/dbraw/zinc/81/38/79/575813879.db2.gz ALKJDXKTOOCDIX-AWEZNQCLSA-N 1 1 301.386 3.165 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCCC3)C2)cc1C(C)C ZINC000727170237 576110616 /nfs/dbraw/zinc/11/06/16/576110616.db2.gz UZXMADWBCFMBPO-QGZVFWFLSA-N 1 1 302.462 3.494 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](N3CCCC3)C2)cc1C(C)C ZINC000727170237 576110619 /nfs/dbraw/zinc/11/06/19/576110619.db2.gz UZXMADWBCFMBPO-QGZVFWFLSA-N 1 1 302.462 3.494 20 10 DGCDMO COCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CCCC1 ZINC000750816920 576158975 /nfs/dbraw/zinc/15/89/75/576158975.db2.gz CQTOAKRESWMCHZ-UHFFFAOYSA-N 1 1 309.381 3.125 20 10 DGCDMO CCn1nccc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000853239867 620680959 /nfs/dbraw/zinc/68/09/59/620680959.db2.gz JQEDYMDHZLYXHS-SNVBAGLBSA-N 1 1 313.323 3.478 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H]4COC[C@@H]4C3)c2c1 ZINC000853586647 620712641 /nfs/dbraw/zinc/71/26/41/620712641.db2.gz VTJKDPBAAZVXIK-CABCVRRESA-N 1 1 313.397 3.022 20 10 DGCDMO COc1ccc(N2CC[C@H](Nc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000853758904 620734413 /nfs/dbraw/zinc/73/44/13/620734413.db2.gz MKLBQWDBUDRUDZ-ZDUSSCGKSA-N 1 1 308.385 3.262 20 10 DGCDMO Cc1nc(NCc2cc(Br)ccc2O)c(C)c(C)[nH+]1 ZINC000804828662 617680713 /nfs/dbraw/zinc/68/07/13/617680713.db2.gz VQOLXGOSDAWFPR-UHFFFAOYSA-N 1 1 322.206 3.482 20 10 DGCDMO COc1ccc(C[N@@H+](C)CCc2ccccc2F)c(O)c1OC ZINC000891783735 617897725 /nfs/dbraw/zinc/89/77/25/617897725.db2.gz LQJBPDCJEDJGJG-UHFFFAOYSA-N 1 1 319.376 3.223 20 10 DGCDMO COc1ccc(C[N@@H+](C)C2Cc3ccccc3C2)c(O)c1OC ZINC000891788074 617898743 /nfs/dbraw/zinc/89/87/43/617898743.db2.gz ZOWTWFZZPXCVBO-UHFFFAOYSA-N 1 1 313.397 3.009 20 10 DGCDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892008759 617943652 /nfs/dbraw/zinc/94/36/52/617943652.db2.gz VKWWNLUMFRGEJO-OAHLLOKOSA-N 1 1 323.433 3.191 20 10 DGCDMO CC[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000840881653 618107346 /nfs/dbraw/zinc/10/73/46/618107346.db2.gz PHIJIAKMYLBVJQ-DYVFJYSZSA-N 1 1 321.367 3.487 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000155184600 620783303 /nfs/dbraw/zinc/78/33/03/620783303.db2.gz BKWBRAHZLLBZKI-UHFFFAOYSA-N 1 1 314.429 3.489 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1O ZINC000155188645 620783936 /nfs/dbraw/zinc/78/39/36/620783936.db2.gz MFQQPYPVGGADHF-UHFFFAOYSA-N 1 1 314.429 3.489 20 10 DGCDMO COc1ccc(N2CC[C@H](N[C@H]3C[C@H]([NH3+])c4ccccc43)C2)cc1 ZINC000854217186 620785104 /nfs/dbraw/zinc/78/51/04/620785104.db2.gz KKDCPIPQSGMKDN-GKCIPKSASA-N 1 1 323.440 3.008 20 10 DGCDMO Cc1ccc([C@H](C)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c(O)c1 ZINC000854222965 620785584 /nfs/dbraw/zinc/78/55/84/620785584.db2.gz PQQNJNXDSQAFCT-KFKAGJAMSA-N 1 1 310.441 3.497 20 10 DGCDMO COc1ccc(C[NH2+]C2(C(F)F)CCCC2)c(O)c1OC ZINC000894527630 618371059 /nfs/dbraw/zinc/37/10/59/618371059.db2.gz ZSVDRWWFVBCXOA-UHFFFAOYSA-N 1 1 301.333 3.077 20 10 DGCDMO CC(C)[C@H]1[N@H+](Cc2cc(F)cc(F)c2O)CC12CCOCC2 ZINC000894999572 618510223 /nfs/dbraw/zinc/51/02/23/618510223.db2.gz UXQSXKRBHGSKSF-MRXNPFEDSA-N 1 1 311.372 3.307 20 10 DGCDMO CC(C)[C@H]1[N@@H+](Cc2cc(F)cc(F)c2O)CC12CCOCC2 ZINC000894999572 618510224 /nfs/dbraw/zinc/51/02/24/618510224.db2.gz UXQSXKRBHGSKSF-MRXNPFEDSA-N 1 1 311.372 3.307 20 10 DGCDMO C[N@H+](Cc1cc(F)cc(F)c1O)C[C@@](C)(O)c1ccccc1 ZINC000895055929 618520994 /nfs/dbraw/zinc/52/09/94/618520994.db2.gz ZJHBZGIAPSQDOE-QGZVFWFLSA-N 1 1 307.340 3.010 20 10 DGCDMO C[N@@H+](Cc1cc(F)cc(F)c1O)C[C@@](C)(O)c1ccccc1 ZINC000895055929 618520999 /nfs/dbraw/zinc/52/09/99/618520999.db2.gz ZJHBZGIAPSQDOE-QGZVFWFLSA-N 1 1 307.340 3.010 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc2c(cc1O)CCCC2 ZINC000925780800 618618114 /nfs/dbraw/zinc/61/81/14/618618114.db2.gz GZLCINGRXBCCJU-WFASDCNBSA-N 1 1 324.415 3.166 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3oc(=O)oc3c2)cc1 ZINC000893864780 618668432 /nfs/dbraw/zinc/66/84/32/618668432.db2.gz ZXALVGHVGNFFFB-UHFFFAOYSA-N 1 1 312.369 3.084 20 10 DGCDMO COc1cc(C)cc(C[N@H+](Cc2ccccc2)C[C@H](C)O)c1O ZINC000893995880 618689080 /nfs/dbraw/zinc/68/90/80/618689080.db2.gz VEKOJWFVVYKLCD-HNNXBMFYSA-N 1 1 315.413 3.092 20 10 DGCDMO C[N@@H+](Cc1ccns1)Cc1ccc(Br)cc1O ZINC000895451687 618786802 /nfs/dbraw/zinc/78/68/02/618786802.db2.gz DFNUBGQBRCXQSX-UHFFFAOYSA-N 1 1 313.220 3.243 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCN1c1cc[nH+]cc1 ZINC000895558287 618799118 /nfs/dbraw/zinc/79/91/18/618799118.db2.gz VDDJBKHPDIVMLA-CYBMUJFWSA-N 1 1 317.820 3.151 20 10 DGCDMO CCC1([NH+]2CCC2)CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000895821092 618835821 /nfs/dbraw/zinc/83/58/21/618835821.db2.gz BRMBRLAEYBDXBX-UHFFFAOYSA-N 1 1 310.388 3.121 20 10 DGCDMO COC1(OC)CC2(C[N@@H+](Cc3ccc(C)cc3O)[C@H]2C(C)C)C1 ZINC000895987291 618857594 /nfs/dbraw/zinc/85/75/94/618857594.db2.gz CFKIMGKUAGJWTC-KRWDZBQOSA-N 1 1 319.445 3.310 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1CN[C@@H](c1ncccn1)C1CC1 ZINC000896599048 618932721 /nfs/dbraw/zinc/93/27/21/618932721.db2.gz NVJCYLBYUFZUCU-CYBMUJFWSA-N 1 1 307.756 3.216 20 10 DGCDMO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1c(O)cccc1F ZINC000896639764 618939687 /nfs/dbraw/zinc/93/96/87/618939687.db2.gz GGRJHKUMYDZPKX-UHFFFAOYSA-N 1 1 305.397 3.389 20 10 DGCDMO CC(C)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cnn(C)c1 ZINC000897081573 619012266 /nfs/dbraw/zinc/01/22/66/619012266.db2.gz PMOPJQPCVCMUCO-HNNXBMFYSA-N 1 1 311.788 3.405 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(=O)[nH]1 ZINC000897392865 619102801 /nfs/dbraw/zinc/10/28/01/619102801.db2.gz QRKAIXNLDCOBKV-UHFFFAOYSA-N 1 1 311.429 3.410 20 10 DGCDMO CCOc1ccc(O)c(C[NH2+]Cc2nc(C(C)(C)C)co2)c1 ZINC000897945146 619197606 /nfs/dbraw/zinc/19/76/06/619197606.db2.gz UZYWUUPXMQJOMX-UHFFFAOYSA-N 1 1 304.390 3.366 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000898516511 619283499 /nfs/dbraw/zinc/28/34/99/619283499.db2.gz UECUEHYAWNPEML-NVXWUHKLSA-N 1 1 319.445 3.430 20 10 DGCDMO CCn1cnc2c1CC[N@H+](Cc1cc3c(cc1O)CCCC3)C2 ZINC000902551097 619654413 /nfs/dbraw/zinc/65/44/13/619654413.db2.gz OJLGTXXDONXLRY-UHFFFAOYSA-N 1 1 311.429 3.046 20 10 DGCDMO CCn1cnc2c1CC[N@@H+](Cc1cc3c(cc1O)CCCC3)C2 ZINC000902551097 619654414 /nfs/dbraw/zinc/65/44/14/619654414.db2.gz OJLGTXXDONXLRY-UHFFFAOYSA-N 1 1 311.429 3.046 20 10 DGCDMO CC[C@@H]1c2ccccc2C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000902666451 619662468 /nfs/dbraw/zinc/66/24/68/619662468.db2.gz PYJODNOCLBSDGL-SJLPKXTDSA-N 1 1 311.381 3.285 20 10 DGCDMO CCN(C(=O)C[NH2+][C@H](C)c1c(O)cccc1F)c1ccccc1 ZINC000903194561 619733955 /nfs/dbraw/zinc/73/39/55/619733955.db2.gz FFPNTNIROSKJIS-CYBMUJFWSA-N 1 1 316.376 3.235 20 10 DGCDMO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000903296805 619752696 /nfs/dbraw/zinc/75/26/96/619752696.db2.gz NNBHDDNLINBNJC-REAQECSSSA-N 1 1 320.216 3.154 20 10 DGCDMO CN(C)CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000903381371 619768758 /nfs/dbraw/zinc/76/87/58/619768758.db2.gz WBCQKNTVVGNJGZ-DLBZAZTESA-N 1 1 311.429 3.057 20 10 DGCDMO C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1cccc(C(F)(F)F)c1O ZINC000903438368 619775198 /nfs/dbraw/zinc/77/51/98/619775198.db2.gz UMNSQAUVHVLQKP-BHYNMZESSA-N 1 1 315.335 3.487 20 10 DGCDMO C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccoc1 ZINC000903447807 619778190 /nfs/dbraw/zinc/77/81/90/619778190.db2.gz CUSWTTZTYJQYQK-KDOFPFPSSA-N 1 1 301.434 3.299 20 10 DGCDMO CN(C)c1ccc(CN(C[C@]2(C)CCC[NH2+]C2)C2CC2)cc1 ZINC000904307722 619911644 /nfs/dbraw/zinc/91/16/44/619911644.db2.gz VIHKIERGRDEDFK-LJQANCHMSA-N 1 1 301.478 3.107 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCS[C@H](C(F)(F)F)C2)c1O ZINC000905705027 620019231 /nfs/dbraw/zinc/01/92/31/620019231.db2.gz JXTBQLRIYGASKZ-LBPRGKRZSA-N 1 1 321.364 3.189 20 10 DGCDMO CC[C@@H](CNCc1ccc(N(CC)CC)cc1)[NH+]1CCCC1 ZINC000915228213 620575190 /nfs/dbraw/zinc/57/51/90/620575190.db2.gz IVUKRVOLNQAHEI-SFHVURJKSA-N 1 1 303.494 3.497 20 10 DGCDMO Cc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000153696111 620594660 /nfs/dbraw/zinc/59/46/60/620594660.db2.gz RORIMBSSFZJUIU-GOSISDBHSA-N 1 1 312.413 3.277 20 10 DGCDMO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)ccc1N1CCCCC1 ZINC000852558047 620629085 /nfs/dbraw/zinc/62/90/85/620629085.db2.gz FDYPDFCUUPOCAH-VQIMIIECSA-N 1 1 302.462 3.331 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(Br)c(F)cc1O ZINC000756354388 620959728 /nfs/dbraw/zinc/95/97/28/620959728.db2.gz AAWFCEJQEUXFDM-BDAKNGLRSA-N 1 1 318.186 3.123 20 10 DGCDMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCc3ccccc3O)c2)C1 ZINC000857094147 621057659 /nfs/dbraw/zinc/05/76/59/621057659.db2.gz UENNUCOZENVDOC-GOSISDBHSA-N 1 1 324.424 3.131 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C(C)(C)/C=C/Cl)cc2)CC1 ZINC000922649175 621073479 /nfs/dbraw/zinc/07/34/79/621073479.db2.gz ULDUFTZSYVHSRV-CMDGGOBGSA-N 1 1 307.869 3.059 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000922895700 621125427 /nfs/dbraw/zinc/12/54/27/621125427.db2.gz GEHDRYDLITXXTB-ZBEGNZNMSA-N 1 1 313.800 3.480 20 10 DGCDMO C[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000857874304 621126466 /nfs/dbraw/zinc/12/64/66/621126466.db2.gz OECSNBHJEDJCEJ-IFXJQAMLSA-N 1 1 323.440 3.117 20 10 DGCDMO Oc1ccccc1C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013757 621145711 /nfs/dbraw/zinc/14/57/11/621145711.db2.gz FJSZZFWYDUDSDW-KRWDZBQOSA-N 1 1 310.397 3.318 20 10 DGCDMO COCC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccco1 ZINC000858157364 621159669 /nfs/dbraw/zinc/15/96/69/621159669.db2.gz FGASIMJHARXTAF-HNNXBMFYSA-N 1 1 324.371 3.491 20 10 DGCDMO Cc1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1N(C)C ZINC000923327620 621176604 /nfs/dbraw/zinc/17/66/04/621176604.db2.gz DWEFTRFJKUNNKB-QZTJIDSGSA-N 1 1 301.478 3.025 20 10 DGCDMO Cc1cc(C[N@H+]2CCOc3cc(N)ccc3C2)ccc1N(C)C ZINC000923417846 621181820 /nfs/dbraw/zinc/18/18/20/621181820.db2.gz YNYIEMYLSXXPEZ-UHFFFAOYSA-N 1 1 311.429 3.038 20 10 DGCDMO CCC[C@@H](C[NH2+]Cc1cc(C)cc(Br)c1O)OC ZINC000824544101 621197905 /nfs/dbraw/zinc/19/79/05/621197905.db2.gz TZZNEGFGUGLOKW-LBPRGKRZSA-N 1 1 316.239 3.368 20 10 DGCDMO COC(=O)CCCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000859060267 621243780 /nfs/dbraw/zinc/24/37/80/621243780.db2.gz PTBWBHQBNRXAHZ-UHFFFAOYSA-N 1 1 318.461 3.452 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c1O ZINC000121354264 621313152 /nfs/dbraw/zinc/31/31/52/621313152.db2.gz ASSSRWSCASHCBL-UHFFFAOYSA-N 1 1 323.396 3.219 20 10 DGCDMO C[C@H]1COCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753533774 621446806 /nfs/dbraw/zinc/44/68/06/621446806.db2.gz CHCYNYCPGYQHNE-HNNXBMFYSA-N 1 1 313.397 3.192 20 10 DGCDMO C[C@H]1COCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753533774 621446809 /nfs/dbraw/zinc/44/68/09/621446809.db2.gz CHCYNYCPGYQHNE-HNNXBMFYSA-N 1 1 313.397 3.192 20 10 DGCDMO CC(C)(C)C(=O)CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000753747638 621463257 /nfs/dbraw/zinc/46/32/57/621463257.db2.gz LEKIAJQNHZSEFW-INIZCTEOSA-N 1 1 319.445 3.379 20 10 DGCDMO CC[N@@H+](CCc1nccs1)Cc1c(O)ccc2ccncc21 ZINC000753982842 621476482 /nfs/dbraw/zinc/47/64/82/621476482.db2.gz OFQKZVLLMMOLLY-UHFFFAOYSA-N 1 1 313.426 3.462 20 10 DGCDMO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2ccccc2O)C3)cc1 ZINC000754151426 621491789 /nfs/dbraw/zinc/49/17/89/621491789.db2.gz ZDJVWAWBKLNUCW-UHFFFAOYSA-N 1 1 319.408 3.445 20 10 DGCDMO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2ccccc2O)C3)cc1 ZINC000754151426 621491791 /nfs/dbraw/zinc/49/17/91/621491791.db2.gz ZDJVWAWBKLNUCW-UHFFFAOYSA-N 1 1 319.408 3.445 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCC2OCCCO2)cc1 ZINC000754643265 621522023 /nfs/dbraw/zinc/52/20/23/621522023.db2.gz UCLQYQKPESTHJB-UHFFFAOYSA-N 1 1 306.450 3.118 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)c1O ZINC000754722857 621527982 /nfs/dbraw/zinc/52/79/82/621527982.db2.gz FLPKHAWICBUEBN-OAHLLOKOSA-N 1 1 302.374 3.343 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2c2cc(C)on2)c1O ZINC000754722855 621527995 /nfs/dbraw/zinc/52/79/95/621527995.db2.gz FLPKHAWICBUEBN-HNNXBMFYSA-N 1 1 302.374 3.343 20 10 DGCDMO COC[C@@H]1CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000754739845 621530074 /nfs/dbraw/zinc/53/00/74/621530074.db2.gz CIFBDQMIQNNMOC-CYBMUJFWSA-N 1 1 307.434 3.167 20 10 DGCDMO CC[N@H+](Cc1c(O)cccc1Br)C[C@@H]1CCOC1 ZINC000862224486 621563891 /nfs/dbraw/zinc/56/38/91/621563891.db2.gz XTVBQYPTQOTJBJ-NSHDSACASA-N 1 1 314.223 3.013 20 10 DGCDMO CCC[N@@H+](Cc1cc(F)c(N(C)C)cc1F)CC(C)(C)O ZINC000862238706 621565328 /nfs/dbraw/zinc/56/53/28/621565328.db2.gz GQTWCSQBKGJIKX-UHFFFAOYSA-N 1 1 300.393 3.014 20 10 DGCDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862333124 621574754 /nfs/dbraw/zinc/57/47/54/621574754.db2.gz NTXQBHVZVOLOID-QGZVFWFLSA-N 1 1 312.404 3.015 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1F ZINC000862359289 621577789 /nfs/dbraw/zinc/57/77/89/621577789.db2.gz HZZGSBFIGKCZAF-QGZVFWFLSA-N 1 1 310.388 3.033 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1F ZINC000862360257 621578185 /nfs/dbraw/zinc/57/81/85/621578185.db2.gz YWSWAUDSBQZJKU-DOTOQJQBSA-N 1 1 310.388 3.174 20 10 DGCDMO COc1cc(C[N@@H+](C)CC2(C)COC2)c(O)c(C(C)(C)C)c1 ZINC000862479500 621593589 /nfs/dbraw/zinc/59/35/89/621593589.db2.gz QJXWITCXZRGPFT-UHFFFAOYSA-N 1 1 307.434 3.167 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC2(CC2)CC1 ZINC000862539944 621598524 /nfs/dbraw/zinc/59/85/24/621598524.db2.gz YXFZDDOHHSHBRZ-UHFFFAOYSA-N 1 1 300.446 3.289 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cc(F)cc(F)c1O ZINC000756351125 621630189 /nfs/dbraw/zinc/63/01/89/621630189.db2.gz IXGQVMKBMJNTDE-YGRLFVJLSA-N 1 1 310.344 3.217 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2ccccc2C)c1 ZINC000756356454 621630508 /nfs/dbraw/zinc/63/05/08/621630508.db2.gz DFMAVKCYKDYMQA-AWEZNQCLSA-N 1 1 313.397 3.381 20 10 DGCDMO COc1ccccc1OCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000756369178 621632225 /nfs/dbraw/zinc/63/22/25/621632225.db2.gz AYWWGJRPAGCWOT-GFCCVEGCSA-N 1 1 305.349 3.270 20 10 DGCDMO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(C3CC3)C2)c2c1c(F)ccc2O ZINC000756402612 621635490 /nfs/dbraw/zinc/63/54/90/621635490.db2.gz VXDCMCHNEQGYNF-LALPHHSUSA-N 1 1 304.409 3.154 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccc(F)cc1O ZINC000756458191 621639446 /nfs/dbraw/zinc/63/94/46/621639446.db2.gz UGCVLBJGTCJWAK-QWHCGFSZSA-N 1 1 301.361 3.433 20 10 DGCDMO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(F)cc1O ZINC000756459569 621640037 /nfs/dbraw/zinc/64/00/37/621640037.db2.gz PKWZZVYINZHPNY-DZGCQCFKSA-N 1 1 303.377 3.033 20 10 DGCDMO CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756546348 621646648 /nfs/dbraw/zinc/64/66/48/621646648.db2.gz OWFDCATVSIKMCA-STQMWFEESA-N 1 1 312.404 3.441 20 10 DGCDMO COC1CCN(C(C)(C)C[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000756549311 621647347 /nfs/dbraw/zinc/64/73/47/621647347.db2.gz DVTWMWKJJKOAAT-CYBMUJFWSA-N 1 1 324.440 3.071 20 10 DGCDMO CCCC[C@@H](COC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756584967 621651030 /nfs/dbraw/zinc/65/10/30/621651030.db2.gz HUOGCSTWLWFESY-JSGCOSHPSA-N 1 1 309.406 3.035 20 10 DGCDMO Cc1ccc([C@H](C)[NH2+]Cc2n[nH]cc2Br)c(O)c1C ZINC000756585054 621651305 /nfs/dbraw/zinc/65/13/05/621651305.db2.gz JQBXAVKBVBCZBK-JTQLQIEISA-N 1 1 324.222 3.345 20 10 DGCDMO CCSCC[C@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756618415 621653065 /nfs/dbraw/zinc/65/30/65/621653065.db2.gz PXNGTRYJTVLFFP-NWDGAFQWSA-N 1 1 311.447 3.361 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)c2ccncc2)c1 ZINC000756632965 621654521 /nfs/dbraw/zinc/65/45/21/621654521.db2.gz GCWNCGXXWBRDFF-OLZOCXBDSA-N 1 1 314.385 3.028 20 10 DGCDMO COC(C)(C)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756644533 621655491 /nfs/dbraw/zinc/65/54/91/621655491.db2.gz BAZFCOUEVHDRDN-MRVPVSSYSA-N 1 1 320.202 3.369 20 10 DGCDMO C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(F)cc1O ZINC000756660325 621657144 /nfs/dbraw/zinc/65/71/44/621657144.db2.gz VRVMJQIUZMMKKR-VIFPVBQESA-N 1 1 317.286 3.141 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000756845336 621668221 /nfs/dbraw/zinc/66/82/21/621668221.db2.gz UBNCTLCQNSGEFS-NEQJSVFRSA-N 1 1 303.402 3.408 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000756887130 621670332 /nfs/dbraw/zinc/67/03/32/621670332.db2.gz MWMNGURSNYHQMX-CJNGLKHVSA-N 1 1 319.445 3.396 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cc(C)ncn2)cc1F ZINC000756989906 621677854 /nfs/dbraw/zinc/67/78/54/621677854.db2.gz IOWBAMNDUYWBIM-UHFFFAOYSA-N 1 1 302.397 3.060 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1)CCCC2 ZINC000789500067 625512288 /nfs/dbraw/zinc/51/22/88/625512288.db2.gz BZPDCUJLXWFVAS-HKUYNNGSSA-N 1 1 301.430 3.414 20 10 DGCDMO C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC000839562889 621697427 /nfs/dbraw/zinc/69/74/27/621697427.db2.gz DXQCTMVMTMKKIS-CYBMUJFWSA-N 1 1 322.412 3.252 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000839637102 621706513 /nfs/dbraw/zinc/70/65/13/621706513.db2.gz VFVNIJGLKBZPPH-PMACEKPBSA-N 1 1 310.441 3.451 20 10 DGCDMO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000757994125 621751987 /nfs/dbraw/zinc/75/19/87/621751987.db2.gz HFMSSXKCAMIMQQ-SFHVURJKSA-N 1 1 315.388 3.365 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000757994125 621751989 /nfs/dbraw/zinc/75/19/89/621751989.db2.gz HFMSSXKCAMIMQQ-SFHVURJKSA-N 1 1 315.388 3.365 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@]3(C1)CCCOC3)CCCC2 ZINC000789543667 625521384 /nfs/dbraw/zinc/52/13/84/625521384.db2.gz WIUVSHGPIKDWMN-LJQANCHMSA-N 1 1 301.430 3.274 20 10 DGCDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000759753090 621887839 /nfs/dbraw/zinc/88/78/39/621887839.db2.gz CPVWUFHYESNDOZ-LJQANCHMSA-N 1 1 319.445 3.383 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000865761850 621990574 /nfs/dbraw/zinc/99/05/74/621990574.db2.gz IMXQTYILNRNIRN-ZBEGNZNMSA-N 1 1 313.800 3.480 20 10 DGCDMO C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc(F)cc1O ZINC000866478376 622124329 /nfs/dbraw/zinc/12/43/29/622124329.db2.gz HXJKOXLDXOZEKP-LBPRGKRZSA-N 1 1 301.361 3.455 20 10 DGCDMO Cc1cc(C)cc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)c1 ZINC000766090128 622304987 /nfs/dbraw/zinc/30/49/87/622304987.db2.gz HWRGXTVJHAJQTN-SFHVURJKSA-N 1 1 313.397 3.067 20 10 DGCDMO CCN1CCN(c2ccc(C[NH2+]CC3(C)CCC3)cc2F)CC1 ZINC000766215429 622312824 /nfs/dbraw/zinc/31/28/24/622312824.db2.gz ZAECEIOFHMUEJZ-UHFFFAOYSA-N 1 1 319.468 3.247 20 10 DGCDMO CC[N@@H+](Cc1cnc(N(C)C)s1)Cc1ccc(N(C)C)cc1 ZINC000768133755 622441002 /nfs/dbraw/zinc/44/10/02/622441002.db2.gz MEGRLBUFFOEZHA-UHFFFAOYSA-N 1 1 318.490 3.297 20 10 DGCDMO COCC[N@@H+](Cc1cccs1)Cc1ccc(N(C)C)cc1 ZINC000768199054 622445109 /nfs/dbraw/zinc/44/51/09/622445109.db2.gz WNCRFDJKEGQQET-UHFFFAOYSA-N 1 1 304.459 3.463 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccn2C)c(O)c1 ZINC000768197823 622445152 /nfs/dbraw/zinc/44/51/52/622445152.db2.gz NLSZCPFLAVMIJW-KRWDZBQOSA-N 1 1 300.402 3.467 20 10 DGCDMO c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000768356356 622451998 /nfs/dbraw/zinc/45/19/98/622451998.db2.gz XGKOJHMTZZZZQB-HXUWFJFHSA-N 1 1 323.440 3.255 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccsc1)[C@@H](O)CO2 ZINC000768439705 622456170 /nfs/dbraw/zinc/45/61/70/622456170.db2.gz MRXKUCYNPBEAKL-HOCLYGCPSA-N 1 1 317.410 3.217 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1C1CCCCC1)[C@H](O)CO2 ZINC000768442515 622456422 /nfs/dbraw/zinc/45/64/22/622456422.db2.gz KWXKAVIJKKJURL-FUHWJXTLSA-N 1 1 317.429 3.363 20 10 DGCDMO Oc1cc2c(cc1CN1CC[C@@H](C[NH+]3CCCC3)C1)CCCC2 ZINC000768446961 622456715 /nfs/dbraw/zinc/45/67/15/622456715.db2.gz PRTKPRRZNFRBHA-INIZCTEOSA-N 1 1 314.473 3.189 20 10 DGCDMO CCCCC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462142 622457894 /nfs/dbraw/zinc/45/78/94/622457894.db2.gz JXWSSEGVQGHWAD-RHSMWYFYSA-N 1 1 305.418 3.363 20 10 DGCDMO CN1CCC[C@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000768546297 622463810 /nfs/dbraw/zinc/46/38/10/622463810.db2.gz IIHHNFLCIZKFQL-IBGZPJMESA-N 1 1 315.505 3.451 20 10 DGCDMO CN1CCC[C@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000768546297 622463813 /nfs/dbraw/zinc/46/38/13/622463813.db2.gz IIHHNFLCIZKFQL-IBGZPJMESA-N 1 1 315.505 3.451 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)c1O ZINC000768894564 622483910 /nfs/dbraw/zinc/48/39/10/622483910.db2.gz YPDLTVJZXJHDGD-KRWDZBQOSA-N 1 1 313.397 3.444 20 10 DGCDMO Fc1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)ccc1N1CCOCC1 ZINC000769101356 622498416 /nfs/dbraw/zinc/49/84/16/622498416.db2.gz DLDFXIVSLVDDEZ-FUHWJXTLSA-N 1 1 318.436 3.427 20 10 DGCDMO Fc1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)ccc1N1CCOCC1 ZINC000769101359 622498603 /nfs/dbraw/zinc/49/86/03/622498603.db2.gz DLDFXIVSLVDDEZ-SJLPKXTDSA-N 1 1 318.436 3.427 20 10 DGCDMO COc1cccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c1O ZINC000769318308 622517238 /nfs/dbraw/zinc/51/72/38/622517238.db2.gz UHLHTGASZNJMLF-SFHVURJKSA-N 1 1 313.397 3.364 20 10 DGCDMO Nc1ncc(C[N@@H+](Cc2ccccc2O)C2CCCC2)s1 ZINC000769386643 622523318 /nfs/dbraw/zinc/52/33/18/622523318.db2.gz CVLZEJXPDBJACH-UHFFFAOYSA-N 1 1 303.431 3.376 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCc3ccc(F)cc3C2)c(O)c1 ZINC000769403291 622524979 /nfs/dbraw/zinc/52/49/79/622524979.db2.gz BTXPNYXWMCJYMX-UHFFFAOYSA-N 1 1 301.361 3.488 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000769404076 622525370 /nfs/dbraw/zinc/52/53/70/622525370.db2.gz NFRVAFKPJLIDSS-QGZVFWFLSA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1ccc(O)c(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000769404076 622525371 /nfs/dbraw/zinc/52/53/71/622525371.db2.gz NFRVAFKPJLIDSS-QGZVFWFLSA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1ccc(O)c(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000769404076 622525372 /nfs/dbraw/zinc/52/53/72/622525372.db2.gz NFRVAFKPJLIDSS-QGZVFWFLSA-N 1 1 310.441 3.407 20 10 DGCDMO CN1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C(C)(C)C1 ZINC000769446040 622528169 /nfs/dbraw/zinc/52/81/69/622528169.db2.gz KQTQUZMHSLEADW-UHFFFAOYSA-N 1 1 301.478 3.203 20 10 DGCDMO C[N@@H+]1CCN(Cc2ccc(N3CCCCC3)cc2)C(C)(C)C1 ZINC000769446040 622528172 /nfs/dbraw/zinc/52/81/72/622528172.db2.gz KQTQUZMHSLEADW-UHFFFAOYSA-N 1 1 301.478 3.203 20 10 DGCDMO C[N@H+]1CCN(Cc2ccc(N3CCCCC3)cc2)C(C)(C)C1 ZINC000769446040 622528175 /nfs/dbraw/zinc/52/81/75/622528175.db2.gz KQTQUZMHSLEADW-UHFFFAOYSA-N 1 1 301.478 3.203 20 10 DGCDMO CCOc1cccc(C[N@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)c1O ZINC000769470046 622530473 /nfs/dbraw/zinc/53/04/73/622530473.db2.gz JIDRSGLZVGVYHW-GDBMZVCRSA-N 1 1 306.450 3.096 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)c1O ZINC000769470046 622530475 /nfs/dbraw/zinc/53/04/75/622530475.db2.gz JIDRSGLZVGVYHW-GDBMZVCRSA-N 1 1 306.450 3.096 20 10 DGCDMO CCC[N@@H+](Cc1c(O)cccc1OC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000769470252 622530698 /nfs/dbraw/zinc/53/06/98/622530698.db2.gz JPDLVTXSNZHWRT-XWIAVFTESA-N 1 1 319.445 3.426 20 10 DGCDMO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000123426095 622530931 /nfs/dbraw/zinc/53/09/31/622530931.db2.gz XIMZGNHOTXGRDP-HNNXBMFYSA-N 1 1 321.417 3.097 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000123426095 622530934 /nfs/dbraw/zinc/53/09/34/622530934.db2.gz XIMZGNHOTXGRDP-HNNXBMFYSA-N 1 1 321.417 3.097 20 10 DGCDMO CCOC(=O)C1([N@@H+](C)Cc2cc(C)ccc2O)CCCCC1 ZINC000769504700 622534950 /nfs/dbraw/zinc/53/49/50/622534950.db2.gz XXBXTCQXPQRTHK-UHFFFAOYSA-N 1 1 305.418 3.398 20 10 DGCDMO COc1cccc(O)c1C[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000769531498 622538492 /nfs/dbraw/zinc/53/84/92/622538492.db2.gz BXEUBEFGIXZQSI-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000769531498 622538495 /nfs/dbraw/zinc/53/84/95/622538495.db2.gz BXEUBEFGIXZQSI-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1O ZINC000770375004 622627113 /nfs/dbraw/zinc/62/71/13/622627113.db2.gz PPTGMSRIDAEECC-HOCLYGCPSA-N 1 1 305.418 3.039 20 10 DGCDMO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000770614087 622652711 /nfs/dbraw/zinc/65/27/11/622652711.db2.gz CQQDUFFUKMEVPE-LSDHHAIUSA-N 1 1 315.417 3.231 20 10 DGCDMO C[C@H]([N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)C ZINC000771787951 622796152 /nfs/dbraw/zinc/79/61/52/622796152.db2.gz WAOGBTXMRBJRSB-HNNXBMFYSA-N 1 1 319.493 3.077 20 10 DGCDMO CC(C)[N@@H+](CC(=O)c1cccn1C)Cc1ccc(N(C)C)cc1 ZINC000771792449 622796231 /nfs/dbraw/zinc/79/62/31/622796231.db2.gz YVILSKGDYDSILW-UHFFFAOYSA-N 1 1 313.445 3.184 20 10 DGCDMO Cc1ccc([C@@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000771824183 622799738 /nfs/dbraw/zinc/79/97/38/622799738.db2.gz TZZJMHCGFRJPEH-MRXNPFEDSA-N 1 1 313.445 3.191 20 10 DGCDMO CC[C@@H](C)C[NH2+]Cc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000771828742 622800753 /nfs/dbraw/zinc/80/07/53/622800753.db2.gz BPVPLFGAPMYBAV-OAHLLOKOSA-N 1 1 307.457 3.103 20 10 DGCDMO C[N@@H+](Cc1cccc(O)c1)Cc1cc(Br)ccc1O ZINC000771935453 622820365 /nfs/dbraw/zinc/82/03/65/622820365.db2.gz QLXUNHXFWRZNEJ-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000872253701 622868426 /nfs/dbraw/zinc/86/84/26/622868426.db2.gz DVPSGKNWVYIACI-CWDCEQMOSA-N 1 1 310.388 3.122 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000872253704 622868566 /nfs/dbraw/zinc/86/85/66/622868566.db2.gz DVPSGKNWVYIACI-QGZUEGPWSA-N 1 1 310.388 3.122 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)cc1OC ZINC000872803608 622982260 /nfs/dbraw/zinc/98/22/60/622982260.db2.gz CGUZQBYPSRFQJV-AWEZNQCLSA-N 1 1 319.323 3.184 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)c1O ZINC000872807306 622982834 /nfs/dbraw/zinc/98/28/34/622982834.db2.gz MTSNVNGGEJFVAS-CYBMUJFWSA-N 1 1 318.442 3.464 20 10 DGCDMO C[N@@H+](CCCCCC[NH3+])Cc1cccc(Br)c1[O-] ZINC000873231508 623083632 /nfs/dbraw/zinc/08/36/32/623083632.db2.gz LSDUHYILYVPNMR-UHFFFAOYSA-N 1 1 315.255 3.106 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]([C@H](C)C(=O)OC)C2CCC2)cc1 ZINC000773888888 623086055 /nfs/dbraw/zinc/08/60/55/623086055.db2.gz RWMQGGDCKNIKEG-CQSZACIVSA-N 1 1 304.434 3.059 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]([C@H](C)C(=O)OC)C2CCC2)cc1 ZINC000773888888 623086060 /nfs/dbraw/zinc/08/60/60/623086060.db2.gz RWMQGGDCKNIKEG-CQSZACIVSA-N 1 1 304.434 3.059 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCOCC3(CCCC3)C1)CCC2 ZINC000774656676 623171735 /nfs/dbraw/zinc/17/17/35/623171735.db2.gz WWHSREHKILHVLB-UHFFFAOYSA-N 1 1 301.430 3.274 20 10 DGCDMO COc1c(O)c(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000774888669 623205946 /nfs/dbraw/zinc/20/59/46/623205946.db2.gz RTOBALZHAQPIEK-MBNYWOFBSA-N 1 1 320.389 3.462 20 10 DGCDMO COc1c(O)c(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000774888669 623205951 /nfs/dbraw/zinc/20/59/51/623205951.db2.gz RTOBALZHAQPIEK-MBNYWOFBSA-N 1 1 320.389 3.462 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000775022888 623217468 /nfs/dbraw/zinc/21/74/68/623217468.db2.gz HMOFQOFRJGGCPY-NSHDSACASA-N 1 1 308.378 3.367 20 10 DGCDMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1cccc(OC)c1O ZINC000775184969 623239189 /nfs/dbraw/zinc/23/91/89/623239189.db2.gz UFEKRBRQSXQSLY-SFHVURJKSA-N 1 1 321.417 3.099 20 10 DGCDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1cccc(C)c1O ZINC000775186028 623239567 /nfs/dbraw/zinc/23/95/67/623239567.db2.gz ZIALXWDARBZLNQ-GOSISDBHSA-N 1 1 305.418 3.398 20 10 DGCDMO CC(C)[N@@H+]1CCCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775637311 623301167 /nfs/dbraw/zinc/30/11/67/623301167.db2.gz PBCYEWLUYXDLTF-UHFFFAOYSA-N 1 1 300.805 3.101 20 10 DGCDMO CC(C)[N@H+]1CCCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775637311 623301172 /nfs/dbraw/zinc/30/11/72/623301172.db2.gz PBCYEWLUYXDLTF-UHFFFAOYSA-N 1 1 300.805 3.101 20 10 DGCDMO CC1CCC([N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775644401 623301903 /nfs/dbraw/zinc/30/19/03/623301903.db2.gz LFQKCSCFPZYRLW-UHFFFAOYSA-N 1 1 315.505 3.449 20 10 DGCDMO CC1CCC([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775644401 623301909 /nfs/dbraw/zinc/30/19/09/623301909.db2.gz LFQKCSCFPZYRLW-UHFFFAOYSA-N 1 1 315.505 3.449 20 10 DGCDMO Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000775665090 623308518 /nfs/dbraw/zinc/30/85/18/623308518.db2.gz XJOAQZHFJHABBE-CQSZACIVSA-N 1 1 312.816 3.245 20 10 DGCDMO CCC[N@H+](Cc1ncc(COC)s1)Cc1ccccc1O ZINC000775667302 623309593 /nfs/dbraw/zinc/30/95/93/623309593.db2.gz IAKJDBWJWNLTMK-UHFFFAOYSA-N 1 1 306.431 3.407 20 10 DGCDMO CCC[N@@H+](Cc1ncc(COC)s1)Cc1ccccc1O ZINC000775667302 623309600 /nfs/dbraw/zinc/30/96/00/623309600.db2.gz IAKJDBWJWNLTMK-UHFFFAOYSA-N 1 1 306.431 3.407 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C2OCCO2)c1O ZINC000775674634 623310742 /nfs/dbraw/zinc/31/07/42/623310742.db2.gz HAIFBCGESJTVJS-AWEZNQCLSA-N 1 1 311.809 3.081 20 10 DGCDMO CC(C)C[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775689320 623314577 /nfs/dbraw/zinc/31/45/77/623314577.db2.gz CRXWFEJGXNNIDD-LJQANCHMSA-N 1 1 315.505 3.306 20 10 DGCDMO CC(C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775689320 623314580 /nfs/dbraw/zinc/31/45/80/623314580.db2.gz CRXWFEJGXNNIDD-LJQANCHMSA-N 1 1 315.505 3.306 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1O ZINC000775690302 623314677 /nfs/dbraw/zinc/31/46/77/623314677.db2.gz PRRMTNODMLLBNR-WCQYABFASA-N 1 1 323.742 3.242 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000775690303 623314959 /nfs/dbraw/zinc/31/49/59/623314959.db2.gz PRRMTNODMLLBNR-YPMHNXCESA-N 1 1 323.742 3.242 20 10 DGCDMO CC[N@@H+]1C[C@H](C)N(Cc2cc(Cl)cc(F)c2O)C[C@@H]1C ZINC000775711988 623317492 /nfs/dbraw/zinc/31/74/92/623317492.db2.gz LQQBZMCJWZGNBZ-QWRGUYRKSA-N 1 1 300.805 3.099 20 10 DGCDMO CC[N@H+]1C[C@H](C)N(Cc2cc(Cl)cc(F)c2O)C[C@@H]1C ZINC000775711988 623317497 /nfs/dbraw/zinc/31/74/97/623317497.db2.gz LQQBZMCJWZGNBZ-QWRGUYRKSA-N 1 1 300.805 3.099 20 10 DGCDMO Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000775905161 623348363 /nfs/dbraw/zinc/34/83/63/623348363.db2.gz HXDZERJLUNULSZ-JTQLQIEISA-N 1 1 311.788 3.116 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000776693100 623452488 /nfs/dbraw/zinc/45/24/88/623452488.db2.gz SJTBYFVMHBVXIG-FQEVSTJZSA-N 1 1 310.441 3.196 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000776767600 623461278 /nfs/dbraw/zinc/46/12/78/623461278.db2.gz DWWIFYDVGGWMCX-LJQANCHMSA-N 1 1 315.388 3.242 20 10 DGCDMO CC[N@H+](Cc1cc(Br)cc(OC)c1O)CC1CC1 ZINC000125630559 623500405 /nfs/dbraw/zinc/50/04/05/623500405.db2.gz FPGSQUFDLGNDBZ-UHFFFAOYSA-N 1 1 314.223 3.395 20 10 DGCDMO COc1cc2c(cc1F)C[N@@H+](Cc1cccc(C)c1O)CC2 ZINC000777440011 623526098 /nfs/dbraw/zinc/52/60/98/623526098.db2.gz CLBVMWJORMFNCP-UHFFFAOYSA-N 1 1 301.361 3.407 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCc3cc(C)ccc3C2)cc1OC ZINC000790446705 625655699 /nfs/dbraw/zinc/65/56/99/625655699.db2.gz MANFKAXJRHRJMM-UHFFFAOYSA-N 1 1 313.397 3.276 20 10 DGCDMO CC(C)[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000777968041 623593539 /nfs/dbraw/zinc/59/35/39/623593539.db2.gz KZFIXUPPVSHYDM-INIZCTEOSA-N 1 1 307.434 3.252 20 10 DGCDMO CC(C)[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000777968041 623593542 /nfs/dbraw/zinc/59/35/42/623593542.db2.gz KZFIXUPPVSHYDM-INIZCTEOSA-N 1 1 307.434 3.252 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000876552926 623641601 /nfs/dbraw/zinc/64/16/01/623641601.db2.gz CZIMNNQTWWKYJR-HNNXBMFYSA-N 1 1 322.412 3.123 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000876611877 623659138 /nfs/dbraw/zinc/65/91/38/623659138.db2.gz UNTNWULDGYSRCK-LBPRGKRZSA-N 1 1 303.324 3.244 20 10 DGCDMO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(C)cc1O ZINC000876683203 623680882 /nfs/dbraw/zinc/68/08/82/623680882.db2.gz SVQPDHOGCQBYEH-UHFFFAOYSA-N 1 1 301.415 3.350 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000876682751 623681510 /nfs/dbraw/zinc/68/15/10/623681510.db2.gz OBDGDFRGXJLKSE-SFHVURJKSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(O)c1 ZINC000876719278 623688850 /nfs/dbraw/zinc/68/88/50/623688850.db2.gz HKFIBJKCVMEZDP-HNNXBMFYSA-N 1 1 318.461 3.075 20 10 DGCDMO Cc1cccc(O)c1C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000876728632 623690760 /nfs/dbraw/zinc/69/07/60/623690760.db2.gz QZVPNBYDDUNLSZ-ZDUSSCGKSA-N 1 1 308.422 3.046 20 10 DGCDMO CC(C)[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCC1 ZINC000876758422 623699093 /nfs/dbraw/zinc/69/90/93/623699093.db2.gz IUGKROCVUCSIFM-UHFFFAOYSA-N 1 1 302.462 3.411 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000876773863 623702860 /nfs/dbraw/zinc/70/28/60/623702860.db2.gz XILKAYGBHVIZIU-OAQYLSRUSA-N 1 1 303.427 3.070 20 10 DGCDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876815125 623714582 /nfs/dbraw/zinc/71/45/82/623714582.db2.gz VAEQPPDYVPWALR-HNNXBMFYSA-N 1 1 305.418 3.256 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](C[C@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000778998073 623718046 /nfs/dbraw/zinc/71/80/46/623718046.db2.gz GXXPZDWEYVEEKX-IRXDYDNUSA-N 1 1 318.461 3.022 20 10 DGCDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000779035397 623723891 /nfs/dbraw/zinc/72/38/91/623723891.db2.gz ZJAZMWONOHSJQV-KZULUSFZSA-N 1 1 301.361 3.355 20 10 DGCDMO Cc1ccc(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)c(O)c1 ZINC000877149467 623808970 /nfs/dbraw/zinc/80/89/70/623808970.db2.gz CQQFANPUEGDUQB-HNNXBMFYSA-N 1 1 301.390 3.448 20 10 DGCDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877460687 623893393 /nfs/dbraw/zinc/89/33/93/623893393.db2.gz SDRAIKNIWQGZRY-AWEZNQCLSA-N 1 1 303.324 3.244 20 10 DGCDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531446 623927855 /nfs/dbraw/zinc/92/78/55/623927855.db2.gz MXCZQNMJGQPGOF-NVXWUHKLSA-N 1 1 302.462 3.411 20 10 DGCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C1CC1 ZINC000877539250 623932669 /nfs/dbraw/zinc/93/26/69/623932669.db2.gz LTLHOXRONPAYCC-IBGZPJMESA-N 1 1 314.473 3.268 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877645483 623976443 /nfs/dbraw/zinc/97/64/43/623976443.db2.gz MQCGAFFEJDGMBY-AWEZNQCLSA-N 1 1 318.804 3.232 20 10 DGCDMO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702576 623997449 /nfs/dbraw/zinc/99/74/49/623997449.db2.gz BZXHTSHAXMKBAU-UHFFFAOYSA-N 1 1 320.396 3.106 20 10 DGCDMO Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877702576 623997452 /nfs/dbraw/zinc/99/74/52/623997452.db2.gz BZXHTSHAXMKBAU-UHFFFAOYSA-N 1 1 320.396 3.106 20 10 DGCDMO Cc1cccc(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c1O ZINC000877713316 624002476 /nfs/dbraw/zinc/00/24/76/624002476.db2.gz FZBPBBDDHWSSPU-QGZVFWFLSA-N 1 1 309.413 3.080 20 10 DGCDMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(C)cc3O)CCO2)cc1 ZINC000877755240 624021670 /nfs/dbraw/zinc/02/16/70/624021670.db2.gz GKEXASMPSPQQLK-IBGZPJMESA-N 1 1 313.397 3.283 20 10 DGCDMO CC(C)CC(=O)N1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000877775181 624032715 /nfs/dbraw/zinc/03/27/15/624032715.db2.gz UEPWIZKNTGVTAX-UHFFFAOYSA-N 1 1 324.852 3.126 20 10 DGCDMO CC1(C)CCc2onc(C[NH2+]Cc3cc(F)ccc3O)c2C1 ZINC000877810347 624042418 /nfs/dbraw/zinc/04/24/18/624042418.db2.gz RTYJOSUHZFSTBT-UHFFFAOYSA-N 1 1 304.365 3.324 20 10 DGCDMO Cc1cccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)c1O ZINC000877810557 624042435 /nfs/dbraw/zinc/04/24/35/624042435.db2.gz WJNGJLRQPMSHNY-UHFFFAOYSA-N 1 1 300.402 3.493 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877824305 624056434 /nfs/dbraw/zinc/05/64/34/624056434.db2.gz QZQWWUQRXACZOY-IUODEOHRSA-N 1 1 316.367 3.294 20 10 DGCDMO CC(C)(O)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000877835851 624063508 /nfs/dbraw/zinc/06/35/08/624063508.db2.gz YJKLZVABRBPZBC-KRWDZBQOSA-N 1 1 302.462 3.270 20 10 DGCDMO CO[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781895764 624166788 /nfs/dbraw/zinc/16/67/88/624166788.db2.gz DKTQBGXVEPJNJR-GFCCVEGCSA-N 1 1 314.223 3.074 20 10 DGCDMO CO[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781895764 624166789 /nfs/dbraw/zinc/16/67/89/624166789.db2.gz DKTQBGXVEPJNJR-GFCCVEGCSA-N 1 1 314.223 3.074 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1CC2(CO1)CCOCC2 ZINC000878150857 624190489 /nfs/dbraw/zinc/19/04/89/624190489.db2.gz JQVLQIBRIAQAEO-QGZVFWFLSA-N 1 1 319.445 3.190 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1F ZINC000783596719 624373412 /nfs/dbraw/zinc/37/34/12/624373412.db2.gz FYLZABPJQJLYCC-QGZVFWFLSA-N 1 1 313.420 3.351 20 10 DGCDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000783716494 624386665 /nfs/dbraw/zinc/38/66/65/624386665.db2.gz AGIBATARRVGCBY-AWEZNQCLSA-N 1 1 303.324 3.244 20 10 DGCDMO CC(C)[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000783717830 624386997 /nfs/dbraw/zinc/38/69/97/624386997.db2.gz MEZBNVQWJABNDF-SFHVURJKSA-N 1 1 302.462 3.391 20 10 DGCDMO Cc1cccc([C@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)c1 ZINC000784025762 624424468 /nfs/dbraw/zinc/42/44/68/624424468.db2.gz OQBLPBOYBUKHAP-HNNXBMFYSA-N 1 1 311.381 3.419 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@]2(C)CCO[C@H]2C)c1 ZINC000784640121 624563965 /nfs/dbraw/zinc/56/39/65/624563965.db2.gz LKCZJGMDCLCPGF-IINYFYTJSA-N 1 1 314.223 3.120 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000785767092 624730166 /nfs/dbraw/zinc/73/01/66/624730166.db2.gz JOKMJARBMNSTTI-ROUUACIJSA-N 1 1 302.462 3.391 20 10 DGCDMO Cc1cc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)ccc1N(C)C ZINC000880051006 624767897 /nfs/dbraw/zinc/76/78/97/624767897.db2.gz QDONGGUGYSQPLJ-OAHLLOKOSA-N 1 1 316.367 3.214 20 10 DGCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)[C@H]1C ZINC000787244150 624991510 /nfs/dbraw/zinc/99/15/10/624991510.db2.gz MNSXTHHSNBPRRV-ZFWWWQNUSA-N 1 1 319.445 3.382 20 10 DGCDMO CC(C)[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)c1ccnn1C ZINC000788258786 625105587 /nfs/dbraw/zinc/10/55/87/625105587.db2.gz IWXVWLPOVCYDNC-RISCZKNCSA-N 1 1 323.387 3.494 20 10 DGCDMO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788564582 625217130 /nfs/dbraw/zinc/21/71/30/625217130.db2.gz WTXAQMPRUJIHBT-MNOVXSKESA-N 1 1 305.340 3.469 20 10 DGCDMO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788669815 625238902 /nfs/dbraw/zinc/23/89/02/625238902.db2.gz PNFWOCYEXBHTPZ-QONUSYMYSA-N 1 1 323.380 3.219 20 10 DGCDMO CC[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000211380873 625242986 /nfs/dbraw/zinc/24/29/86/625242986.db2.gz XJXMFBHPXMXQQO-JTQLQIEISA-N 1 1 303.233 3.225 20 10 DGCDMO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cccc(C(F)(F)F)c1O ZINC000788763485 625261761 /nfs/dbraw/zinc/26/17/61/625261761.db2.gz IZICROYZVQVTHX-KPXOXKRLSA-N 1 1 303.324 3.221 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1O ZINC000788774370 625262534 /nfs/dbraw/zinc/26/25/34/625262534.db2.gz CREUKYHKKZBQJP-GARJFASQSA-N 1 1 303.324 3.223 20 10 DGCDMO C[C@H]([NH2+]CCC1(O)CCC1)c1cccc(C(F)(F)F)c1O ZINC000788826871 625277014 /nfs/dbraw/zinc/27/70/14/625277014.db2.gz HITPEOXDLYOMLE-JTQLQIEISA-N 1 1 303.324 3.367 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000790947164 625720322 /nfs/dbraw/zinc/72/03/22/625720322.db2.gz JXQDYADSXZCBLW-UHFFFAOYSA-N 1 1 323.751 3.246 20 10 DGCDMO C[C@@H](COCC(F)(F)F)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790961913 625723632 /nfs/dbraw/zinc/72/36/32/625723632.db2.gz DOYZIWVZIYJUNH-ZETCQYMHSA-N 1 1 315.694 3.242 20 10 DGCDMO CC[C@](C)(CC(=O)OC)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790973587 625726900 /nfs/dbraw/zinc/72/69/00/625726900.db2.gz ODSFRZRVWMRQCU-CQSZACIVSA-N 1 1 303.761 3.006 20 10 DGCDMO C[C@@]1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCO[C@H]1C1CC1 ZINC000790990917 625731971 /nfs/dbraw/zinc/73/19/71/625731971.db2.gz NIYHYKLIBAZOLH-HOTGVXAUSA-N 1 1 313.800 3.480 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@@H+](C1CC1)C1CCCC1 ZINC000130216112 625828341 /nfs/dbraw/zinc/82/83/41/625828341.db2.gz UULLIYANUJJBNP-UHFFFAOYSA-N 1 1 300.446 3.430 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000882879031 625842387 /nfs/dbraw/zinc/84/23/87/625842387.db2.gz DKBVLMIAMFLGRE-HNNXBMFYSA-N 1 1 322.355 3.190 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000882946866 625869647 /nfs/dbraw/zinc/86/96/47/625869647.db2.gz ZDQWCPLVMMLFJO-UHFFFAOYSA-N 1 1 320.339 3.144 20 10 DGCDMO C[N@H+](Cc1cccc(Br)c1O)[C@H]1CCSC1 ZINC000130576248 625875563 /nfs/dbraw/zinc/87/55/63/625875563.db2.gz CUGRHJMDYNEXOB-JTQLQIEISA-N 1 1 302.237 3.092 20 10 DGCDMO C[N@@H+](Cc1cccc(Br)c1O)[C@H]1CCSC1 ZINC000130576248 625875565 /nfs/dbraw/zinc/87/55/65/625875565.db2.gz CUGRHJMDYNEXOB-JTQLQIEISA-N 1 1 302.237 3.092 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H](O)c1ccc(F)cc1 ZINC000883003793 625894952 /nfs/dbraw/zinc/89/49/52/625894952.db2.gz HXONSJOEPJETFI-RFAUZJTJSA-N 1 1 311.303 3.021 20 10 DGCDMO COC1(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCCC1 ZINC000792156759 625916572 /nfs/dbraw/zinc/91/65/72/625916572.db2.gz MHFWFXAEOFMRBS-KRWDZBQOSA-N 1 1 319.445 3.332 20 10 DGCDMO CC[N@@H+]1CC[C@H](N(C)Cc2c(O)ccc(Cl)c2F)C[C@H]1C ZINC000792164630 625917646 /nfs/dbraw/zinc/91/76/46/625917646.db2.gz AVSOHJBHSCFREJ-NEPJUHHUSA-N 1 1 314.832 3.489 20 10 DGCDMO CC[N@H+]1CC[C@H](N(C)Cc2c(O)ccc(Cl)c2F)C[C@H]1C ZINC000792164630 625917652 /nfs/dbraw/zinc/91/76/52/625917652.db2.gz AVSOHJBHSCFREJ-NEPJUHHUSA-N 1 1 314.832 3.489 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](CCOC)[C@@H]2CC[C@H](C)C2)c1 ZINC000792193715 625923780 /nfs/dbraw/zinc/92/37/80/625923780.db2.gz YXNQRLQVCUCZRG-GOEBONIOSA-N 1 1 307.434 3.428 20 10 DGCDMO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)CC2 ZINC000883101572 625928211 /nfs/dbraw/zinc/92/82/11/625928211.db2.gz MFMLGWAZZUWNBD-AWEZNQCLSA-N 1 1 321.371 3.095 20 10 DGCDMO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000883117725 625932758 /nfs/dbraw/zinc/93/27/58/625932758.db2.gz GPBYCCBEOMMWRZ-MEDUHNTESA-N 1 1 307.340 3.191 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000883127100 625934959 /nfs/dbraw/zinc/93/49/59/625934959.db2.gz LNPRVOUKACQJBZ-ZDUSSCGKSA-N 1 1 322.330 3.178 20 10 DGCDMO CC(C)CC[C@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000796448951 626050694 /nfs/dbraw/zinc/05/06/94/626050694.db2.gz KVEONPYLSXVPHK-ZWKOTPCHSA-N 1 1 321.461 3.170 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1O ZINC000796704156 626075185 /nfs/dbraw/zinc/07/51/85/626075185.db2.gz XKFXLMYXBSCMFZ-MAUKXSAKSA-N 1 1 317.404 3.423 20 10 DGCDMO CN1CC[C@H]([NH2+]CCCSc2nccs2)[C@H]2CCC[C@H]21 ZINC000796772779 626081175 /nfs/dbraw/zinc/08/11/75/626081175.db2.gz VUMDGBSGUJPVKT-HZSPNIEDSA-N 1 1 311.520 3.088 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(F)cc1O ZINC000796792332 626083728 /nfs/dbraw/zinc/08/37/28/626083728.db2.gz GSNGEZHYDYMVES-YPMHNXCESA-N 1 1 301.452 3.421 20 10 DGCDMO CCc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000797020623 626104908 /nfs/dbraw/zinc/10/49/08/626104908.db2.gz WEKIMLZBYKITKQ-KZULUSFZSA-N 1 1 303.377 3.478 20 10 DGCDMO COc1ccc(O)c(CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000798088123 626193260 /nfs/dbraw/zinc/19/32/60/626193260.db2.gz HXHKDMZQJLTOJH-KRWDZBQOSA-N 1 1 318.461 3.288 20 10 DGCDMO COc1ccc(O)c(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000798088123 626193263 /nfs/dbraw/zinc/19/32/63/626193263.db2.gz HXHKDMZQJLTOJH-KRWDZBQOSA-N 1 1 318.461 3.288 20 10 DGCDMO CCN(CC)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000798179946 626199848 /nfs/dbraw/zinc/19/98/48/626199848.db2.gz UOABEKOWWBFZGX-NSHDSACASA-N 1 1 304.356 3.403 20 10 DGCDMO Cc1cc(C)c(O)c(CN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000798229334 626203503 /nfs/dbraw/zinc/20/35/03/626203503.db2.gz WPQGCJZZRVAGSQ-UHFFFAOYSA-N 1 1 324.468 3.369 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)cc1F ZINC000798960528 626263299 /nfs/dbraw/zinc/26/32/99/626263299.db2.gz HVSQOGQMBGKVBB-SFHVURJKSA-N 1 1 316.424 3.352 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2c2ccnn2C)cc1F ZINC000798960528 626263300 /nfs/dbraw/zinc/26/33/00/626263300.db2.gz HVSQOGQMBGKVBB-SFHVURJKSA-N 1 1 316.424 3.352 20 10 DGCDMO CC(C)c1ncc(C[N@@H+](C)Cc2c(O)ccc3ccncc32)cn1 ZINC000799579902 626311288 /nfs/dbraw/zinc/31/12/88/626311288.db2.gz KZLFXFCFAVALHQ-UHFFFAOYSA-N 1 1 322.412 3.486 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H]1CC2(CC2)C(=O)O1 ZINC000801595193 626411438 /nfs/dbraw/zinc/41/14/38/626411438.db2.gz IXYMDULUAXZSLA-OAHLLOKOSA-N 1 1 303.402 3.090 20 10 DGCDMO C[NH+](C)C[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000802679838 626566473 /nfs/dbraw/zinc/56/64/73/626566473.db2.gz QXAOAMKZYJMEJJ-ZDUSSCGKSA-N 1 1 324.833 3.140 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(Cl)cc1O ZINC000883275744 626632846 /nfs/dbraw/zinc/63/28/46/626632846.db2.gz AIGPSKUMJCQVHQ-DGCLKSJQSA-N 1 1 309.793 3.140 20 10 DGCDMO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000883319454 626645871 /nfs/dbraw/zinc/64/58/71/626645871.db2.gz CLKGLJVUHHVDKW-GARJFASQSA-N 1 1 303.324 3.487 20 10 DGCDMO CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)[C@H]1CCCOC1 ZINC000883352358 626657183 /nfs/dbraw/zinc/65/71/83/626657183.db2.gz ZKPUFPYRGCAKBY-NOLJZWGESA-N 1 1 321.417 3.035 20 10 DGCDMO CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)[C@H]1CCCOC1 ZINC000883352357 626657200 /nfs/dbraw/zinc/65/72/00/626657200.db2.gz ZKPUFPYRGCAKBY-INWMFGNUSA-N 1 1 321.417 3.035 20 10 DGCDMO CCN1CC[C@H]1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000883355595 626658381 /nfs/dbraw/zinc/65/83/81/626658381.db2.gz UXVNSZUMAWGXGT-QWRGUYRKSA-N 1 1 302.340 3.156 20 10 DGCDMO C[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCCCO1 ZINC000132605087 626729048 /nfs/dbraw/zinc/72/90/48/626729048.db2.gz IVLUUTUILUDKHG-ZDUSSCGKSA-N 1 1 314.223 3.156 20 10 DGCDMO COC[C@H]1CC[N@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000840083692 626745895 /nfs/dbraw/zinc/74/58/95/626745895.db2.gz QBOWSXXJFIDULY-GFCCVEGCSA-N 1 1 301.386 3.238 20 10 DGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2nnc3n2CCCC3)c1O ZINC000808713707 626853294 /nfs/dbraw/zinc/85/32/94/626853294.db2.gz JRKFVHDZTLXOGG-LLVKDONJSA-N 1 1 320.824 3.133 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+](Cc2cnn(C)c2)CC(C)C)c1 ZINC000840157506 626879911 /nfs/dbraw/zinc/87/99/11/626879911.db2.gz WZBMYCWRYAZFIJ-UHFFFAOYSA-N 1 1 301.434 3.401 20 10 DGCDMO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000809690621 626936658 /nfs/dbraw/zinc/93/66/58/626936658.db2.gz AQLSPRMHHGTYDY-MRXNPFEDSA-N 1 1 320.433 3.273 20 10 DGCDMO OC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@H]1C(F)(F)F ZINC000809697883 626938066 /nfs/dbraw/zinc/93/80/66/626938066.db2.gz QYTDQXLUGSSBAT-CMPLNLGQSA-N 1 1 323.742 3.038 20 10 DGCDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809718726 626941517 /nfs/dbraw/zinc/94/15/17/626941517.db2.gz XMFGMLXXRRNRLY-NSHDSACASA-N 1 1 304.356 3.238 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c1O ZINC000809720414 626941542 /nfs/dbraw/zinc/94/15/42/626941542.db2.gz BUFHKQGTDZFKGW-MRXNPFEDSA-N 1 1 320.433 3.190 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](CCN(C)C)CC1CCCCC1 ZINC000809737505 626944149 /nfs/dbraw/zinc/94/41/49/626944149.db2.gz VKAXXWQJRGZSFY-UHFFFAOYSA-N 1 1 320.477 3.345 20 10 DGCDMO COc1cccc(O)c1CN(CC[NH+](C)C)CC1CCCCC1 ZINC000809737505 626944151 /nfs/dbraw/zinc/94/41/51/626944151.db2.gz VKAXXWQJRGZSFY-UHFFFAOYSA-N 1 1 320.477 3.345 20 10 DGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)c1O ZINC000810252776 626992927 /nfs/dbraw/zinc/99/29/27/626992927.db2.gz JAGDGZACBXOBJP-PWSUYJOCSA-N 1 1 305.809 3.285 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1c(O)cccc1F ZINC000886489282 627152011 /nfs/dbraw/zinc/15/20/11/627152011.db2.gz DWWIQFZRTPZJRM-NSHDSACASA-N 1 1 303.333 3.153 20 10 DGCDMO C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1c(O)cccc1F ZINC000886500370 627153588 /nfs/dbraw/zinc/15/35/88/627153588.db2.gz SFUVXSIAMCOOEL-ZDUSSCGKSA-N 1 1 315.392 3.377 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1c(O)cccc1F ZINC000886501487 627153617 /nfs/dbraw/zinc/15/36/17/627153617.db2.gz MQILCOGGTRNTPO-CYBMUJFWSA-N 1 1 315.392 3.377 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1c(O)cccc1F ZINC000886513088 627155612 /nfs/dbraw/zinc/15/56/12/627155612.db2.gz SZKVYMZGBJYEDG-OLZOCXBDSA-N 1 1 301.361 3.433 20 10 DGCDMO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886532920 627158520 /nfs/dbraw/zinc/15/85/20/627158520.db2.gz RAHGSIYKDTXRPN-ZYHUDNBSSA-N 1 1 305.397 3.163 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1c(O)cccc1F ZINC000886550113 627161254 /nfs/dbraw/zinc/16/12/54/627161254.db2.gz SKELGYGHIPOBAJ-WSVYEEACSA-N 1 1 307.390 3.120 20 10 DGCDMO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886594558 627169281 /nfs/dbraw/zinc/16/92/81/627169281.db2.gz OYOTYWVEBNAOGQ-RYUDHWBXSA-N 1 1 324.396 3.049 20 10 DGCDMO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2c(O)cccc2F)cc1 ZINC000886596250 627169926 /nfs/dbraw/zinc/16/99/26/627169926.db2.gz ABBIVEPGLHWQPX-HIFRSBDPSA-N 1 1 303.377 3.094 20 10 DGCDMO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886597191 627170627 /nfs/dbraw/zinc/17/06/27/627170627.db2.gz YSLBJUXLKUNKGM-HIFRSBDPSA-N 1 1 303.377 3.094 20 10 DGCDMO C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1c(O)cccc1F ZINC000886606527 627171458 /nfs/dbraw/zinc/17/14/58/627171458.db2.gz ANWUQYJQPJHPEL-UKRRQHHQSA-N 1 1 303.377 3.176 20 10 DGCDMO C[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1c(O)cccc1F ZINC000886639635 627178495 /nfs/dbraw/zinc/17/84/95/627178495.db2.gz IDHAYCZULIHOQP-LBPRGKRZSA-N 1 1 308.397 3.008 20 10 DGCDMO C[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1c(O)cccc1F ZINC000886639634 627178512 /nfs/dbraw/zinc/17/85/12/627178512.db2.gz IDHAYCZULIHOQP-GFCCVEGCSA-N 1 1 308.397 3.008 20 10 DGCDMO C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1c(O)cccc1F ZINC000886639734 627178566 /nfs/dbraw/zinc/17/85/66/627178566.db2.gz KPFYQPPHAHASAK-SNVBAGLBSA-N 1 1 303.324 3.122 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)c1ccc(F)cc1O ZINC000886771732 627202972 /nfs/dbraw/zinc/20/29/72/627202972.db2.gz MQANDXYOKKCDJF-BPTYRPCHSA-N 1 1 323.408 3.155 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000886830808 627209548 /nfs/dbraw/zinc/20/95/48/627209548.db2.gz XOJKWCDKRHFEBB-WBMJQRKESA-N 1 1 323.820 3.249 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1O ZINC000886830805 627209703 /nfs/dbraw/zinc/20/97/03/627209703.db2.gz XOJKWCDKRHFEBB-BLLLJJGKSA-N 1 1 323.820 3.249 20 10 DGCDMO Cc1cnn([C@H]2CC[N@@H+](Cc3cc4c(cc3O)CCCC4)C2)c1 ZINC000811799558 627322454 /nfs/dbraw/zinc/32/24/54/627322454.db2.gz WUCPVIQXKGEYPC-SFHVURJKSA-N 1 1 311.429 3.223 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](n4cccn4)C3)c2c1 ZINC000812294419 627368147 /nfs/dbraw/zinc/36/81/47/627368147.db2.gz MNOHEMDDPLBSGN-HNNXBMFYSA-N 1 1 323.396 3.198 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](O)C2(C)C)c(C(F)(F)F)c1 ZINC000812778391 627418854 /nfs/dbraw/zinc/41/88/54/627418854.db2.gz KAKMSFLUQZGMNO-CQSZACIVSA-N 1 1 316.367 3.117 20 10 DGCDMO CC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)CC(C)(C)C ZINC000812795506 627421729 /nfs/dbraw/zinc/42/17/29/627421729.db2.gz ZSVUOLMLYSNPJG-UHFFFAOYSA-N 1 1 303.494 3.306 20 10 DGCDMO CC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)CC(C)(C)C ZINC000812795506 627421732 /nfs/dbraw/zinc/42/17/32/627421732.db2.gz ZSVUOLMLYSNPJG-UHFFFAOYSA-N 1 1 303.494 3.306 20 10 DGCDMO COc1cccc(OC)c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000813334789 627479368 /nfs/dbraw/zinc/47/93/68/627479368.db2.gz YNWGFGGXCRBPAB-UHFFFAOYSA-N 1 1 314.429 3.402 20 10 DGCDMO COc1cccc(OC)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000813334789 627479370 /nfs/dbraw/zinc/47/93/70/627479370.db2.gz YNWGFGGXCRBPAB-UHFFFAOYSA-N 1 1 314.429 3.402 20 10 DGCDMO CN1C[C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)[C@@H]2C1 ZINC000814172900 627546791 /nfs/dbraw/zinc/54/67/91/627546791.db2.gz CUFPUAUJNNVWDJ-PKOBYXMFSA-N 1 1 308.425 3.195 20 10 DGCDMO Cc1cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)ccc1N(C)C ZINC000815054066 627619869 /nfs/dbraw/zinc/61/98/69/627619869.db2.gz FXDHSKIVYHPQKP-GOSISDBHSA-N 1 1 303.494 3.367 20 10 DGCDMO Cc1cc(CN(C)CC[C@H]2CCCC[N@H+]2C)ccc1N(C)C ZINC000815054066 627619872 /nfs/dbraw/zinc/61/98/72/627619872.db2.gz FXDHSKIVYHPQKP-GOSISDBHSA-N 1 1 303.494 3.367 20 10 DGCDMO Cc1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1N(C)C ZINC000815055115 627619931 /nfs/dbraw/zinc/61/99/31/627619931.db2.gz WESBEOGFZZHADI-IBGZPJMESA-N 1 1 315.505 3.369 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)ccc1N(C)C ZINC000815056376 627620468 /nfs/dbraw/zinc/62/04/68/627620468.db2.gz OUSRGTZKPIATIP-LJQANCHMSA-N 1 1 302.462 3.454 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)ccc1N(C)C ZINC000815084316 627624622 /nfs/dbraw/zinc/62/46/22/627624622.db2.gz AWWVDCIFJLRERB-LJQANCHMSA-N 1 1 302.462 3.452 20 10 DGCDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC000815113793 627628315 /nfs/dbraw/zinc/62/83/15/627628315.db2.gz LGLMJPLEXKHFQB-GOSISDBHSA-N 1 1 317.477 3.023 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000815118517 627629683 /nfs/dbraw/zinc/62/96/83/627629683.db2.gz ILMWBGCWJJGAEB-NRFANRHFSA-N 1 1 324.468 3.279 20 10 DGCDMO Cc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)ccc1N(C)C ZINC000815119743 627629913 /nfs/dbraw/zinc/62/99/13/627629913.db2.gz GHQOGZRTALGZEF-MSOLQXFVSA-N 1 1 302.462 3.450 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000815121220 627630573 /nfs/dbraw/zinc/63/05/73/627630573.db2.gz SSAYZIDPBZKWAE-SFHVURJKSA-N 1 1 302.462 3.391 20 10 DGCDMO Cc1cc(CN2CC[N@H+](C3CCC3)C[C@H](C)C2)ccc1N(C)C ZINC000815120492 627630589 /nfs/dbraw/zinc/63/05/89/627630589.db2.gz JZNWXFFRTZBKHU-MRXNPFEDSA-N 1 1 315.505 3.367 20 10 DGCDMO Cc1cc(C[N@H+]2CCN(C3CCC3)C[C@H](C)C2)ccc1N(C)C ZINC000815120492 627630593 /nfs/dbraw/zinc/63/05/93/627630593.db2.gz JZNWXFFRTZBKHU-MRXNPFEDSA-N 1 1 315.505 3.367 20 10 DGCDMO Cc1cc(C[N@@H+]2CCN(C3CCC3)C[C@H](C)C2)ccc1N(C)C ZINC000815120492 627630597 /nfs/dbraw/zinc/63/05/97/627630597.db2.gz JZNWXFFRTZBKHU-MRXNPFEDSA-N 1 1 315.505 3.367 20 10 DGCDMO CC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1O)C(C)(C)O ZINC000815155552 627638906 /nfs/dbraw/zinc/63/89/06/627638906.db2.gz RXEIIOQYLGMYMF-GFCCVEGCSA-N 1 1 316.239 3.102 20 10 DGCDMO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cccc(C(F)(F)F)c1O ZINC000815616763 627691052 /nfs/dbraw/zinc/69/10/52/627691052.db2.gz XNILIYRSQQSMEW-SECBINFHSA-N 1 1 319.323 3.213 20 10 DGCDMO CC(C)[C@H](CO)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815626248 627692240 /nfs/dbraw/zinc/69/22/40/627692240.db2.gz ZHYBNXQFEMRASP-MNOVXSKESA-N 1 1 305.340 3.326 20 10 DGCDMO CC[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cc(Br)ccc1[O-] ZINC000925739586 627784831 /nfs/dbraw/zinc/78/48/31/627784831.db2.gz ZPJSHHWOEFKTFI-GFCCVEGCSA-N 1 1 315.255 3.323 20 10 DGCDMO CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000925782167 627794790 /nfs/dbraw/zinc/79/47/90/627794790.db2.gz DSGUGBIAQYRFPI-BZHVJNSISA-N 1 1 303.233 3.348 20 10 DGCDMO C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1ccc2ccccc2c1O ZINC000816494014 627797214 /nfs/dbraw/zinc/79/72/14/627797214.db2.gz VTYYESOKRNSJEZ-UHFFFAOYSA-N 1 1 320.392 3.276 20 10 DGCDMO Oc1cc(F)c(Cl)cc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000816493111 627797354 /nfs/dbraw/zinc/79/73/54/627797354.db2.gz PIPNODFMFXNMLN-ZDUSSCGKSA-N 1 1 312.816 3.245 20 10 DGCDMO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cc(Cl)c(F)cc1O ZINC000816516120 627800173 /nfs/dbraw/zinc/80/01/73/627800173.db2.gz VUFKIYDPMPWEDR-UHFFFAOYSA-N 1 1 317.788 3.348 20 10 DGCDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cc(Cl)c(F)cc1O ZINC000816516120 627800178 /nfs/dbraw/zinc/80/01/78/627800178.db2.gz VUFKIYDPMPWEDR-UHFFFAOYSA-N 1 1 317.788 3.348 20 10 DGCDMO C[C@@H]1CCCN(CC[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816535286 627803078 /nfs/dbraw/zinc/80/30/78/627803078.db2.gz LFAPKPUABAOOMK-LLVKDONJSA-N 1 1 300.805 3.006 20 10 DGCDMO Cc1csc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000816535558 627803144 /nfs/dbraw/zinc/80/31/44/627803144.db2.gz SGSVHLPBFWDJNC-UHFFFAOYSA-N 1 1 300.786 3.282 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)c1ccccc1F ZINC000816537877 627804090 /nfs/dbraw/zinc/80/40/90/627804090.db2.gz WWEIIIFAROOLGQ-HNNXBMFYSA-N 1 1 313.731 3.147 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000816544030 627804901 /nfs/dbraw/zinc/80/49/01/627804901.db2.gz VRUURQIPZGRRFE-OAHLLOKOSA-N 1 1 313.731 3.147 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000816544029 627804985 /nfs/dbraw/zinc/80/49/85/627804985.db2.gz VRUURQIPZGRRFE-HNNXBMFYSA-N 1 1 313.731 3.147 20 10 DGCDMO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816554973 627806797 /nfs/dbraw/zinc/80/67/97/627806797.db2.gz PEKHVAWHOXGAHL-UHFFFAOYSA-N 1 1 317.788 3.396 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H](O)Cc1ccccc1 ZINC000816558119 627807806 /nfs/dbraw/zinc/80/78/06/627807806.db2.gz NULKTMDGAZDLIS-BDJLRTHQSA-N 1 1 323.795 3.266 20 10 DGCDMO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816592224 627812233 /nfs/dbraw/zinc/81/22/33/627812233.db2.gz CLVQKZPOYNVGNT-HNNXBMFYSA-N 1 1 301.789 3.312 20 10 DGCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816592224 627812237 /nfs/dbraw/zinc/81/22/37/627812237.db2.gz CLVQKZPOYNVGNT-HNNXBMFYSA-N 1 1 301.789 3.312 20 10 DGCDMO CC(C)C[N@H+](CCN(C)C)Cc1cc(Cl)c(F)cc1O ZINC000816610340 627814605 /nfs/dbraw/zinc/81/46/05/627814605.db2.gz HKAUEGXANPHVTP-UHFFFAOYSA-N 1 1 302.821 3.204 20 10 DGCDMO CC(C)C[N@@H+](CCN(C)C)Cc1cc(Cl)c(F)cc1O ZINC000816610340 627814610 /nfs/dbraw/zinc/81/46/10/627814610.db2.gz HKAUEGXANPHVTP-UHFFFAOYSA-N 1 1 302.821 3.204 20 10 DGCDMO CN1CCC[C@]2(CC[N@H+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000816642238 627817866 /nfs/dbraw/zinc/81/78/66/627817866.db2.gz ULGJZPMZZLYIGS-FQEVSTJZSA-N 1 1 310.441 3.463 20 10 DGCDMO CN1CCC[C@]2(CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)C1 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ZINC000841045685 630401858 /nfs/dbraw/zinc/40/18/58/630401858.db2.gz OFXJBHXSPFSDDZ-FQEVSTJZSA-N 1 1 320.440 3.090 20 10 DGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(F)c(Cl)c2)cc1 ZINC000841045587 630401929 /nfs/dbraw/zinc/40/19/29/630401929.db2.gz NJCWJURJJQBZGG-QGZVFWFLSA-N 1 1 321.827 3.335 20 10 DGCDMO C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(Cl)cc1O ZINC000841746571 630461769 /nfs/dbraw/zinc/46/17/69/630461769.db2.gz IJXNMCNSSPKSFZ-CYBMUJFWSA-N 1 1 324.852 3.489 20 10 DGCDMO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C2 ZINC000841745730 630462020 /nfs/dbraw/zinc/46/20/20/630462020.db2.gz SMXUNQUEEVZZFQ-HZMBPMFUSA-N 1 1 317.820 3.352 20 10 DGCDMO C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(Cl)cc1O ZINC000841764112 630463288 /nfs/dbraw/zinc/46/32/88/630463288.db2.gz PDWLNOLZMFENLF-LBPRGKRZSA-N 1 1 324.852 3.345 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cc(C)nn2C)cc1 ZINC000841827710 630469642 /nfs/dbraw/zinc/46/96/42/630469642.db2.gz CHVUJEVTJIEOLT-UHFFFAOYSA-N 1 1 300.450 3.207 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cc(C)nn2C)cc1 ZINC000841827710 630469645 /nfs/dbraw/zinc/46/96/45/630469645.db2.gz CHVUJEVTJIEOLT-UHFFFAOYSA-N 1 1 300.450 3.207 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCSC[C@@H]2C2CCC2)cc1OC ZINC000841893046 630474017 /nfs/dbraw/zinc/47/40/17/630474017.db2.gz CQJQNLJHGREZHM-CQSZACIVSA-N 1 1 323.458 3.127 20 10 DGCDMO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000841897076 630474768 /nfs/dbraw/zinc/47/47/68/630474768.db2.gz TYMGXWPBQKZPNP-INIZCTEOSA-N 1 1 316.376 3.278 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c(O)cc1C ZINC000842613589 630553413 /nfs/dbraw/zinc/55/34/13/630553413.db2.gz CXLUGZLLEHOIGS-HOCLYGCPSA-N 1 1 305.418 3.100 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1O ZINC000842617302 630554396 /nfs/dbraw/zinc/55/43/96/630554396.db2.gz OVWZZTCNGUWKSB-KRWDZBQOSA-N 1 1 313.397 3.363 20 10 DGCDMO Cc1cc(O)c(C[N@H+](C)C[C@]2(O)CCc3ccccc32)cc1C ZINC000842621969 630554566 /nfs/dbraw/zinc/55/45/66/630554566.db2.gz FNTQLKGWOMARRR-HXUWFJFHSA-N 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ZINC000843417080 630654135 /nfs/dbraw/zinc/65/41/35/630654135.db2.gz OWYDAMCQMQWXSM-RDJZCZTQSA-N 1 1 305.418 3.182 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1F ZINC000843418218 630654847 /nfs/dbraw/zinc/65/48/47/630654847.db2.gz ZGDBJQBKPXGKMV-RDJZCZTQSA-N 1 1 306.425 3.283 20 10 DGCDMO CCC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCN(C)C1 ZINC000843421858 630655660 /nfs/dbraw/zinc/65/56/60/630655660.db2.gz IOQWCTNAWPVBNY-GFCCVEGCSA-N 1 1 300.805 3.101 20 10 DGCDMO CCC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCN(C)C1 ZINC000843421858 630655661 /nfs/dbraw/zinc/65/56/61/630655661.db2.gz IOQWCTNAWPVBNY-GFCCVEGCSA-N 1 1 300.805 3.101 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2snnc2C)cc1 ZINC000844269457 630714903 /nfs/dbraw/zinc/71/49/03/630714903.db2.gz GWNCKNBANNVHED-UHFFFAOYSA-N 1 1 304.463 3.325 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2snnc2C)cc1 ZINC000844269457 630714904 /nfs/dbraw/zinc/71/49/04/630714904.db2.gz GWNCKNBANNVHED-UHFFFAOYSA-N 1 1 304.463 3.325 20 10 DGCDMO CC[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@H](C)CO1 ZINC000844734870 630819855 /nfs/dbraw/zinc/81/98/55/630819855.db2.gz ZYWGZEJXQRMJJA-IUODEOHRSA-N 1 1 307.434 3.395 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@H](C)CO1 ZINC000844734870 630819858 /nfs/dbraw/zinc/81/98/58/630819858.db2.gz ZYWGZEJXQRMJJA-IUODEOHRSA-N 1 1 307.434 3.395 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc(Cl)ccc1[O-] ZINC000844922715 630982713 /nfs/dbraw/zinc/98/27/13/630982713.db2.gz CYEQLHLTXMZUMQ-JTQLQIEISA-N 1 1 308.784 3.494 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc(Cl)ccc1[O-] ZINC000844922716 630982842 /nfs/dbraw/zinc/98/28/42/630982842.db2.gz CYEQLHLTXMZUMQ-SNVBAGLBSA-N 1 1 308.784 3.494 20 10 DGCDMO Cc1c(Cl)c(C[NH2+]Cc2cc(Cl)ccc2O)nn1C ZINC000846054394 631208316 /nfs/dbraw/zinc/20/83/16/631208316.db2.gz AMMDEQDKALYEAR-UHFFFAOYSA-N 1 1 300.189 3.031 20 10 DGCDMO CCOc1cccc(C[N@H+](C)[C@H](CC)C(=O)OC(C)(C)C)c1O ZINC000846118864 631210725 /nfs/dbraw/zinc/21/07/25/631210725.db2.gz SJIMMAALKDZJBG-CQSZACIVSA-N 1 1 323.433 3.343 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)[C@H](CC)C(=O)OC(C)(C)C)c1O ZINC000846118864 631210727 /nfs/dbraw/zinc/21/07/27/631210727.db2.gz SJIMMAALKDZJBG-CQSZACIVSA-N 1 1 323.433 3.343 20 10 DGCDMO Oc1ccc(Br)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846118763 631210730 /nfs/dbraw/zinc/21/07/30/631210730.db2.gz YVRAZANMWUPEJS-GFCCVEGCSA-N 1 1 318.161 3.386 20 10 DGCDMO COc1cccc([C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)c1O ZINC000846142712 631211688 /nfs/dbraw/zinc/21/16/88/631211688.db2.gz CCCWKOMFITVRIE-CZUORRHYSA-N 1 1 308.466 3.418 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1[O-] ZINC000846226376 631215576 /nfs/dbraw/zinc/21/55/76/631215576.db2.gz LSUNYZQWXQGEQJ-BDJLRTHQSA-N 1 1 324.852 3.198 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1[O-] ZINC000846226376 631215577 /nfs/dbraw/zinc/21/55/77/631215577.db2.gz LSUNYZQWXQGEQJ-BDJLRTHQSA-N 1 1 324.852 3.198 20 10 DGCDMO CCCC[N@@H+](CCCc1cncn1C)Cc1ccccc1O ZINC000846894140 631344194 /nfs/dbraw/zinc/34/41/94/631344194.db2.gz RIUYIVXPDOZUQB-UHFFFAOYSA-N 1 1 301.434 3.361 20 10 DGCDMO CCc1cccc(C[N@@H+](C)Cc2ccc(OC)c(O)c2)c1O ZINC000848882949 631769249 /nfs/dbraw/zinc/76/92/49/631769249.db2.gz DYFSWTVOQSQEEK-UHFFFAOYSA-N 1 1 301.386 3.301 20 10 DGCDMO CCc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000848900137 631778270 /nfs/dbraw/zinc/77/82/70/631778270.db2.gz YALULSJFLXEKCA-MRXNPFEDSA-N 1 1 304.478 3.412 20 10 DGCDMO CCc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000848900135 631778841 /nfs/dbraw/zinc/77/88/41/631778841.db2.gz YALULSJFLXEKCA-INIZCTEOSA-N 1 1 304.478 3.412 20 10 DGCDMO C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)OC(C)(C)C ZINC000848925928 631790727 /nfs/dbraw/zinc/79/07/27/631790727.db2.gz IIASLYQWRLIISY-VIFPVBQESA-N 1 1 317.788 3.252 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000848929762 631792444 /nfs/dbraw/zinc/79/24/44/631792444.db2.gz ZTLWMEBIJNFFSP-AWEZNQCLSA-N 1 1 305.418 3.324 20 10 DGCDMO [O-]c1ccc(Cl)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000849350504 631900651 /nfs/dbraw/zinc/90/06/51/631900651.db2.gz OQDIMGZSTFRRFT-CQSZACIVSA-N 1 1 308.853 3.257 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cc3n(n2)CCC3)cc1F ZINC000850128418 632062212 /nfs/dbraw/zinc/06/22/12/632062212.db2.gz BHGOGMPZYPCQQT-UHFFFAOYSA-N 1 1 316.424 3.104 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@]2(C)CC2(F)F)c1 ZINC000850535769 632184751 /nfs/dbraw/zinc/18/47/51/632184751.db2.gz BEXUXLAUHMKTKM-ZUZCIYMTSA-N 1 1 313.344 3.265 20 10 DGCDMO COc1ccnc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c1F ZINC000850536977 632186010 /nfs/dbraw/zinc/18/60/10/632186010.db2.gz LLHPGUNGOKSANB-VIFPVBQESA-N 1 1 310.756 3.439 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ncccn1)c1ccc(C(F)(F)F)cc1O ZINC000850552190 632190035 /nfs/dbraw/zinc/19/00/35/632190035.db2.gz MQWGVIHBZSQESC-GFCCVEGCSA-N 1 1 311.307 3.442 20 10 DGCDMO CCSC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000850553000 632191267 /nfs/dbraw/zinc/19/12/67/632191267.db2.gz REKBYEQTJYGPPL-NSHDSACASA-N 1 1 309.431 3.115 20 10 DGCDMO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000850573479 632198485 /nfs/dbraw/zinc/19/84/85/632198485.db2.gz MQUJONXAZGUTOW-FHSNZYRGSA-N 1 1 303.377 3.347 20 10 DGCDMO CCc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109769849 632316218 /nfs/dbraw/zinc/31/62/18/632316218.db2.gz DIUVNFQKEMPESI-AWEZNQCLSA-N 1 1 312.413 3.414 20 10 DGCDMO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109769960 632316468 /nfs/dbraw/zinc/31/64/68/632316468.db2.gz WTKPKTAAIDXUBJ-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109769960 632316470 /nfs/dbraw/zinc/31/64/70/632316470.db2.gz WTKPKTAAIDXUBJ-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO Cc1ccc2c(C[N@@H+](C)Cc3ccccc3O)cc(=O)oc2c1 ZINC000109768843 632316518 /nfs/dbraw/zinc/31/65/18/632316518.db2.gz YXMDOBWXGNIOLL-UHFFFAOYSA-N 1 1 309.365 3.439 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)ccc1N1CCCCC1 ZINC000852536478 632619502 /nfs/dbraw/zinc/61/95/02/632619502.db2.gz VAQPZZFUQVHIAS-UYAOXDASSA-N 1 1 314.473 3.454 20 10 DGCDMO CCO[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000701661682 660677740 /nfs/dbraw/zinc/67/77/40/660677740.db2.gz OYCVQCVZRCVHGP-ZDUSSCGKSA-N 1 1 314.223 3.074 20 10 DGCDMO C[C@H]1C[N@H+](Cc2c(O)cccc2Br)CC(C)(C)O1 ZINC000707150895 660893993 /nfs/dbraw/zinc/89/39/93/660893993.db2.gz VVRJRHCEIVMCBQ-JTQLQIEISA-N 1 1 314.223 3.154 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CC(C)(C)O1 ZINC000707150895 660893997 /nfs/dbraw/zinc/89/39/97/660893997.db2.gz VVRJRHCEIVMCBQ-JTQLQIEISA-N 1 1 314.223 3.154 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@](C)(O)CC3)c2c1 ZINC000794667744 661097386 /nfs/dbraw/zinc/09/73/86/661097386.db2.gz PJXIXMZTNRBARU-LJQANCHMSA-N 1 1 315.413 3.291 20 10 DGCDMO C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000070171693 655604368 /nfs/dbraw/zinc/60/43/68/655604368.db2.gz GFXMCEMVCDTXPZ-UWVGGRQHSA-N 1 1 303.233 3.258 20 10 DGCDMO C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000070171693 655604369 /nfs/dbraw/zinc/60/43/69/655604369.db2.gz GFXMCEMVCDTXPZ-UWVGGRQHSA-N 1 1 303.233 3.258 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1C(C)C ZINC000795636681 661164508 /nfs/dbraw/zinc/16/45/08/661164508.db2.gz JNLUIXHAHIRMRE-LJQANCHMSA-N 1 1 319.445 3.205 20 10 DGCDMO CCOC[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000177630944 655605735 /nfs/dbraw/zinc/60/57/35/655605735.db2.gz XWTIBPYVDXJGRS-CYBMUJFWSA-N 1 1 307.434 3.254 20 10 DGCDMO C[C@H]([NH2+]Cc1cncn1C)c1cc(Cl)c(Cl)cc1O ZINC000289980715 655691304 /nfs/dbraw/zinc/69/13/04/655691304.db2.gz XXNBXMGVYWMXRQ-QMMMGPOBSA-N 1 1 300.189 3.283 20 10 DGCDMO CNC(=O)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccccc1 ZINC000795848852 661175959 /nfs/dbraw/zinc/17/59/59/661175959.db2.gz AQFXRANGZNOEEZ-LRDDRELGSA-N 1 1 316.376 3.059 20 10 DGCDMO C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(F)cc1O 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ZINC000093638359 662357495 /nfs/dbraw/zinc/35/74/95/662357495.db2.gz SFHKFGHQSDLPBZ-HXUWFJFHSA-N 1 1 309.409 3.375 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H](N(C)C)C3)c2c1 ZINC000152323378 685094856 /nfs/dbraw/zinc/09/48/56/685094856.db2.gz BBMDHZDXAQSQLR-HNNXBMFYSA-N 1 1 314.429 3.080 20 10 DGCDMO COc1ccc2ccc(O)c(CN3CCC[C@H]([NH+](C)C)C3)c2c1 ZINC000152323378 685094866 /nfs/dbraw/zinc/09/48/66/685094866.db2.gz BBMDHZDXAQSQLR-HNNXBMFYSA-N 1 1 314.429 3.080 20 10 DGCDMO CCC[N@@H+]1CC[C@H](NCc2ccc(N3CCCCC3)cc2)C1 ZINC000389218093 685192875 /nfs/dbraw/zinc/19/28/75/685192875.db2.gz DNYQMKBKBDAUEE-SFHVURJKSA-N 1 1 301.478 3.251 20 10 DGCDMO CCC[N@H+]1CC[C@H](NCc2ccc(N3CCCCC3)cc2)C1 ZINC000389218093 685192879 /nfs/dbraw/zinc/19/28/79/685192879.db2.gz DNYQMKBKBDAUEE-SFHVURJKSA-N 1 1 301.478 3.251 20 10 DGCDMO Cc1cc([O-])c(C[NH2+][C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)cc1Cl ZINC001579637973 1191983881 /nfs/dbraw/zinc/98/38/81/1191983881.db2.gz LIPXYWIRYSDGOU-APHBMKBZSA-N 1 1 308.853 3.220 20 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C[C@H]1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CCO1 ZINC001462005973 1182894505 /nfs/dbraw/zinc/89/45/05/1182894505.db2.gz AQDWCTWEIKGZCD-KRWDZBQOSA-N 1 1 322.452 3.470 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CCO1 ZINC001462005973 1182894512 /nfs/dbraw/zinc/89/45/12/1182894512.db2.gz AQDWCTWEIKGZCD-KRWDZBQOSA-N 1 1 322.452 3.470 20 10 DGCDMO CCc1cccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC001462010474 1182894900 /nfs/dbraw/zinc/89/49/00/1182894900.db2.gz FNEFHTIOANKQQI-IBGZPJMESA-N 1 1 311.425 3.398 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2COC(C)(C)O2)cc1 ZINC001462007556 1182895514 /nfs/dbraw/zinc/89/55/14/1182895514.db2.gz GMKSVZSLMADBOO-KRWDZBQOSA-N 1 1 306.450 3.116 20 10 DGCDMO Oc1ccccc1C[N@@H+](Cc1ncccc1F)C[C@@H]1CCCO1 ZINC001462021963 1182896661 /nfs/dbraw/zinc/89/66/61/1182896661.db2.gz JGNWZFKSZUGPII-HNNXBMFYSA-N 1 1 316.376 3.108 20 10 DGCDMO Oc1ccccc1C[N@H+](Cc1ncccc1F)C[C@@H]1CCCO1 ZINC001462021963 1182896670 /nfs/dbraw/zinc/89/66/70/1182896670.db2.gz JGNWZFKSZUGPII-HNNXBMFYSA-N 1 1 316.376 3.108 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+](C)C(C)(C)CN1CCCC1 ZINC001462380585 1182944482 /nfs/dbraw/zinc/94/44/82/1182944482.db2.gz BFWDEGGYZQCDON-UHFFFAOYSA-N 1 1 303.494 3.367 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C(C)(C)CN1CCCC1 ZINC001462380585 1182944485 /nfs/dbraw/zinc/94/44/85/1182944485.db2.gz BFWDEGGYZQCDON-UHFFFAOYSA-N 1 1 303.494 3.367 20 10 DGCDMO CC[C@@]1(O)CCC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC001462497312 1182961177 /nfs/dbraw/zinc/96/11/77/1182961177.db2.gz WBINOVXAXLRCDH-LJQANCHMSA-N 1 1 321.461 3.435 20 10 DGCDMO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3cccc(F)c3O)C2)cc1 ZINC001462552428 1182968634 /nfs/dbraw/zinc/96/86/34/1182968634.db2.gz NOMNBZNREYQZAP-HNNXBMFYSA-N 1 1 314.360 3.123 20 10 DGCDMO CCc1ccccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001474015995 1183852030 /nfs/dbraw/zinc/85/20/30/1183852030.db2.gz JIBSXNOTVVNVKE-UHFFFAOYSA-N 1 1 323.484 3.291 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCc1cccc2[nH]ccc21 ZINC001474125860 1183871603 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Oc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC001474692663 1183963529 /nfs/dbraw/zinc/96/35/29/1183963529.db2.gz ANAWLFUNTIXJJO-GFCCVEGCSA-N 1 1 309.715 3.199 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC001474692663 1183963534 /nfs/dbraw/zinc/96/35/34/1183963534.db2.gz ANAWLFUNTIXJJO-GFCCVEGCSA-N 1 1 309.715 3.199 20 10 DGCDMO COc1cccc2c1CC[C@@H]([NH2+]Cc1c(O)cccc1F)C2 ZINC001474716425 1183968139 /nfs/dbraw/zinc/96/81/39/1183968139.db2.gz MMEPZRSCFBFXPP-CYBMUJFWSA-N 1 1 301.361 3.187 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)ccc1N1CCCCC1 ZINC001616825188 1193548377 /nfs/dbraw/zinc/54/83/77/1193548377.db2.gz XTHRXWPZDQKUFX-KXBFYZLASA-N 1 1 302.462 3.188 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCSC[C@@H]2C2CC2)c1O ZINC001560188534 1189289086 /nfs/dbraw/zinc/28/90/86/1189289086.db2.gz OSFUXOOLTOQKCJ-MRXNPFEDSA-N 1 1 323.433 3.451 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCSC[C@@H]2C2CC2)c1O ZINC001560188534 1189289088 /nfs/dbraw/zinc/28/90/88/1189289088.db2.gz OSFUXOOLTOQKCJ-MRXNPFEDSA-N 1 1 323.433 3.451 20 10 DGCDMO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001560258078 1189300094 /nfs/dbraw/zinc/30/00/94/1189300094.db2.gz SRWNBCFHWKOTJN-ICSRJNTNSA-N 1 1 315.505 3.497 20 10 DGCDMO C[C@H](COc1cccc(F)c1)[NH2+]Cc1cc(F)cc(F)c1O ZINC001560286372 1189305022 /nfs/dbraw/zinc/30/50/22/1189305022.db2.gz FVTMHBPLNKFRDL-SNVBAGLBSA-N 1 1 311.303 3.367 20 10 DGCDMO C[NH+]1CCN(c2ccc(CNc3ccccc3F)cc2F)CC1 ZINC001560376208 1189319997 /nfs/dbraw/zinc/31/99/97/1189319997.db2.gz WRSCCAOTBNDXPG-UHFFFAOYSA-N 1 1 317.383 3.329 20 10 DGCDMO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001560397680 1189322622 /nfs/dbraw/zinc/32/26/22/1189322622.db2.gz IJVJEWQHXLGIMX-PKOBYXMFSA-N 1 1 301.478 3.107 20 10 DGCDMO CCCn1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(C)n1 ZINC001560627011 1189351357 /nfs/dbraw/zinc/35/13/57/1189351357.db2.gz KZQLOBSVPKKJTI-UHFFFAOYSA-N 1 1 300.450 3.300 20 10 DGCDMO CCN1CC[C@@H]([N@H+](C)Cc2c(C)cc(OC)cc2O)C[C@H]1C ZINC001560636405 1189353003 /nfs/dbraw/zinc/35/30/03/1189353003.db2.gz FNPHRTZWYQRNFJ-HUUCEWRRSA-N 1 1 306.450 3.014 20 10 DGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2c(C)cc(OC)cc2O)C[C@H]1C ZINC001560636405 1189353006 /nfs/dbraw/zinc/35/30/06/1189353006.db2.gz FNPHRTZWYQRNFJ-HUUCEWRRSA-N 1 1 306.450 3.014 20 10 DGCDMO COC(=O)c1c(C[N@@H+](C)C2CCC2)c2cc(F)ccc2n1C ZINC001560672727 1189358278 /nfs/dbraw/zinc/35/82/78/1189358278.db2.gz QMCLZVLDPYRBBT-UHFFFAOYSA-N 1 1 304.365 3.088 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c(O)c1 ZINC001561042500 1189425849 /nfs/dbraw/zinc/42/58/49/1189425849.db2.gz CDJHTBUBEYVTOB-CVEARBPZSA-N 1 1 319.445 3.348 20 10 DGCDMO COCC[N@H+](Cc1cc(F)c(N(C)C)cc1F)CC(C)C ZINC001621128726 1193805724 /nfs/dbraw/zinc/80/57/24/1193805724.db2.gz OBLSZPQMOBCEKM-UHFFFAOYSA-N 1 1 300.393 3.135 20 10 DGCDMO CC(C)n1ncc2c1[C@H]([NH2+]Cc1cccc(F)c1O)CCC2 ZINC001621226769 1193818624 /nfs/dbraw/zinc/81/86/24/1193818624.db2.gz CKIBQHZPNUBMAG-OAHLLOKOSA-N 1 1 303.381 3.476 20 10 DGCDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001633315527 1194431366 /nfs/dbraw/zinc/43/13/66/1194431366.db2.gz RYILQBXTYFQXGA-QAPCUYQASA-N 1 1 317.477 3.050 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001641902228 1194877953 /nfs/dbraw/zinc/87/79/53/1194877953.db2.gz KJIDDQHRPPSZIJ-MJGOQNOKSA-N 1 1 319.445 3.332 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)CCNC(=O)OC(C)(C)C)cc1 ZINC001643333049 1195016022 /nfs/dbraw/zinc/01/60/22/1195016022.db2.gz WAXKWRVNHFMGIN-UHFFFAOYSA-N 1 1 321.465 3.099 20 10 DGCDMO CCCOc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1C ZINC001650757729 1195379450 /nfs/dbraw/zinc/37/94/50/1195379450.db2.gz ABKWKCHXJODNOY-DOTOQJQBSA-N 1 1 302.462 3.499 20 10 DGCDMO CCCOc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1C ZINC001650757729 1195379456 /nfs/dbraw/zinc/37/94/56/1195379456.db2.gz ABKWKCHXJODNOY-DOTOQJQBSA-N 1 1 302.462 3.499 20 10 DGCDMO CCCOc1ccc(CN[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1C ZINC001650757731 1195379769 /nfs/dbraw/zinc/37/97/69/1195379769.db2.gz ABKWKCHXJODNOY-RDJZCZTQSA-N 1 1 302.462 3.499 20 10 DGCDMO CCCOc1ccc(CN[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1C ZINC001650757731 1195379774 /nfs/dbraw/zinc/37/97/74/1195379774.db2.gz ABKWKCHXJODNOY-RDJZCZTQSA-N 1 1 302.462 3.499 20 10 DGCDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C12CCC2 ZINC001651894751 1195520574 /nfs/dbraw/zinc/52/05/74/1195520574.db2.gz UGUAOANDSAFFPA-CVEARBPZSA-N 1 1 311.372 3.450 20 10 DGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C12CCC2 ZINC001651894751 1195520578 /nfs/dbraw/zinc/52/05/78/1195520578.db2.gz UGUAOANDSAFFPA-CVEARBPZSA-N 1 1 311.372 3.450 20 10 DGCDMO Cc1ccccc1OCC[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001652067023 1195543851 /nfs/dbraw/zinc/54/38/51/1195543851.db2.gz RJFUUIYHVNBDQH-UHFFFAOYSA-N 1 1 307.340 3.490 20 10 DGCDMO Cc1ccccc1OCC[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001652067023 1195543855 /nfs/dbraw/zinc/54/38/55/1195543855.db2.gz RJFUUIYHVNBDQH-UHFFFAOYSA-N 1 1 307.340 3.490 20 10 DGCDMO CCOC(=O)[C@@H]1C2CCC(CC2)[N@H+]1Cc1ccc(C)cc1O ZINC001652523707 1195611618 /nfs/dbraw/zinc/61/16/18/1195611618.db2.gz WHWWODNCLISNHC-PGEKIEPBSA-N 1 1 303.402 3.007 20 10 DGCDMO CCOC(=O)CC[N@@H+](Cc1ccc(N(C)CC)cc1)C(C)C ZINC001654057360 1195771503 /nfs/dbraw/zinc/77/15/03/1195771503.db2.gz WSWJIRGRDHXZFK-UHFFFAOYSA-N 1 1 306.450 3.306 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cccc(OC)c2)cc1 ZINC001654114403 1195776195 /nfs/dbraw/zinc/77/61/95/1195776195.db2.gz JPONGJMOKRJCPE-UHFFFAOYSA-N 1 1 314.429 3.272 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)CC[C@@H]2C[C@H]2C2CC2)cc1 ZINC001654948204 1195858700 /nfs/dbraw/zinc/85/87/00/1195858700.db2.gz ZPAVITMOLILNSW-APWZRJJASA-N 1 1 302.462 3.499 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@]23CCCOC3)c1O ZINC001655142315 1195882534 /nfs/dbraw/zinc/88/25/34/1195882534.db2.gz WEMSTGVSWCKUQA-GOSISDBHSA-N 1 1 321.392 3.269 20 10 DGCDMO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ccc(N2CCCC2)cc1 ZINC001656947459 1196085595 /nfs/dbraw/zinc/08/55/95/1196085595.db2.gz ZACRXWKCLPWONT-ZWKOTPCHSA-N 1 1 315.505 3.497 20 10 DGCDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NCc1ccc(N2CCCC2)cc1 ZINC001656947459 1196085597 /nfs/dbraw/zinc/08/55/97/1196085597.db2.gz ZACRXWKCLPWONT-ZWKOTPCHSA-N 1 1 315.505 3.497 20 10 DGCDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ccc(N2CCCC2)cc1 ZINC001656947456 1196085788 /nfs/dbraw/zinc/08/57/88/1196085788.db2.gz ZACRXWKCLPWONT-MSOLQXFVSA-N 1 1 315.505 3.497 20 10 DGCDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NCc1ccc(N2CCCC2)cc1 ZINC001656947456 1196085792 /nfs/dbraw/zinc/08/57/92/1196085792.db2.gz ZACRXWKCLPWONT-MSOLQXFVSA-N 1 1 315.505 3.497 20 10 DGCDMO CCn1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC001657338149 1196131753 /nfs/dbraw/zinc/13/17/53/1196131753.db2.gz BYBANKIPJNIEIT-UHFFFAOYSA-N 1 1 300.450 3.380 20 10 DGCDMO CCCCC[N@@H+](CCO)Cc1cc(F)c(N(C)C)cc1F ZINC001657639529 1196163714 /nfs/dbraw/zinc/16/37/14/1196163714.db2.gz GRDTVFNCUYPNEK-UHFFFAOYSA-N 1 1 300.393 3.015 20 10 DGCDMO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(N(C)C)cc1C)C1CC1 ZINC001657824831 1196182002 /nfs/dbraw/zinc/18/20/02/1196182002.db2.gz SQGCSDIFPREUOS-SFHVURJKSA-N 1 1 318.461 3.367 20 10 DGCDMO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(N(C)C)cc1C)C1CC1 ZINC001657824831 1196182005 /nfs/dbraw/zinc/18/20/05/1196182005.db2.gz SQGCSDIFPREUOS-SFHVURJKSA-N 1 1 318.461 3.367 20 10 DGCDMO OC[C@@H](CC1CCCC1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001657904345 1196192148 /nfs/dbraw/zinc/19/21/48/1196192148.db2.gz CODPXKCQAUPHOH-GFCCVEGCSA-N 1 1 301.789 3.216 20 10 DGCDMO CCC[N@H+](CC(=O)OC)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001658284041 1196235201 /nfs/dbraw/zinc/23/52/01/1196235201.db2.gz RDOPXVJNUCJECA-UHFFFAOYSA-N 1 1 318.461 3.370 20 10 DGCDMO CCC[N@@H+](CC(=O)OC)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001658284041 1196235204 /nfs/dbraw/zinc/23/52/04/1196235204.db2.gz RDOPXVJNUCJECA-UHFFFAOYSA-N 1 1 318.461 3.370 20 10 DGCDMO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001658380415 1196249323 /nfs/dbraw/zinc/24/93/23/1196249323.db2.gz JBGHNADXEAGHAF-INIZCTEOSA-N 1 1 301.478 3.107 20 10 DGCDMO COc1ccccc1OCC[N@@H+](C)Cc1ccc(C)cc1O ZINC001658549047 1196271552 /nfs/dbraw/zinc/27/15/52/1196271552.db2.gz BRFAWTFTRYWYIY-UHFFFAOYSA-N 1 1 301.386 3.220 20 10 DGCDMO CN(C)c1ccc(/C=C/CNCC[N@@H+]2CCC(C)(C)C2)cc1 ZINC001658741136 1196294868 /nfs/dbraw/zinc/29/48/68/1196294868.db2.gz DMQBOCCPOQXERK-AATRIKPKSA-N 1 1 301.478 3.087 20 10 DGCDMO CN(C)c1ccc(/C=C/CNCC[N@H+]2CCC(C)(C)C2)cc1 ZINC001658741136 1196294872 /nfs/dbraw/zinc/29/48/72/1196294872.db2.gz DMQBOCCPOQXERK-AATRIKPKSA-N 1 1 301.478 3.087 20 10 DGCDMO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)CCO2 ZINC001658753260 1196297043 /nfs/dbraw/zinc/29/70/43/1196297043.db2.gz OYKRALJFKORIEK-HNNXBMFYSA-N 1 1 321.323 3.292 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](c3nccs3)C2)c(O)c1 ZINC001658797046 1196302905 /nfs/dbraw/zinc/30/29/05/1196302905.db2.gz IRMVSBNHVRUZLV-GFCCVEGCSA-N 1 1 304.415 3.155 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1 ZINC001658876275 1196313555 /nfs/dbraw/zinc/31/35/55/1196313555.db2.gz 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/nfs/dbraw/zinc/38/49/39/1196384939.db2.gz XFWSLMIMIQMKSU-UHFFFAOYSA-N 1 1 307.388 3.484 20 10 DGCDMO CCn1ccc(C[N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)c1 ZINC001659455212 1196384942 /nfs/dbraw/zinc/38/49/42/1196384942.db2.gz XFWSLMIMIQMKSU-UHFFFAOYSA-N 1 1 307.388 3.484 20 10 DGCDMO COc1cc(C[N@H+]2CCCCC[C@H]2CO)c(O)c(C(C)(C)C)c1 ZINC001659568975 1196395505 /nfs/dbraw/zinc/39/55/05/1196395505.db2.gz PNLOXHFJQAPFHE-HNNXBMFYSA-N 1 1 321.461 3.435 20 10 DGCDMO Oc1c(F)cccc1C[NH2+]C[C@H]1CCN1C1CCCCCC1 ZINC001659859132 1196421761 /nfs/dbraw/zinc/42/17/61/1196421761.db2.gz OWQRFMFGCGEZCB-MRXNPFEDSA-N 1 1 306.425 3.418 20 10 DGCDMO C[C@H]1Cc2cc(C[NH2+]Cc3cc(F)c(F)cc3O)ccc2O1 ZINC001659976824 1196433471 /nfs/dbraw/zinc/43/34/71/1196433471.db2.gz FXAHQOMEWLDDLO-JTQLQIEISA-N 1 1 305.324 3.284 20 10 DGCDMO CC[NH+](CC)CC[C@@H](C)NCc1cc(Cl)cc(OC)c1O ZINC001660262029 1196463390 /nfs/dbraw/zinc/46/33/90/1196463390.db2.gz LJOPOFAODBZLNG-GFCCVEGCSA-N 1 1 314.857 3.264 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@]2(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001660413210 1196481323 /nfs/dbraw/zinc/48/13/23/1196481323.db2.gz RNNIEYCXLJXANQ-GOSISDBHSA-N 1 1 305.418 3.397 20 10 DGCDMO COc1cc(Cl)cc(C[NH2+]Cc2c(O)cccc2F)c1O ZINC001660743177 1196517966 /nfs/dbraw/zinc/51/79/66/1196517966.db2.gz YEJTWJHDSWAXRU-UHFFFAOYSA-N 1 1 311.740 3.189 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CCCS2)c1 ZINC001661928327 1196663286 /nfs/dbraw/zinc/66/32/86/1196663286.db2.gz MSXFXBVACXGIAB-LLVKDONJSA-N 1 1 316.264 3.448 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]CC3(C4CC4)CCC3)cc2)CC1 ZINC001662013490 1196674714 /nfs/dbraw/zinc/67/47/14/1196674714.db2.gz KVYCTIKPHRHDJH-UHFFFAOYSA-N 1 1 313.489 3.108 20 10 DGCDMO C[C@@H]1SCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@H]1C ZINC001663888409 1196954690 /nfs/dbraw/zinc/95/46/90/1196954690.db2.gz CTPCTMCGNOINSB-QWRGUYRKSA-N 1 1 300.418 3.357 20 10 DGCDMO C[C@@H]1SCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)[C@H]1C ZINC001663888409 1196954692 /nfs/dbraw/zinc/95/46/92/1196954692.db2.gz CTPCTMCGNOINSB-QWRGUYRKSA-N 1 1 300.418 3.357 20 10 DGCDMO C[C@@](O)(CC[NH2+]Cc1cc(F)c(F)cc1O)c1ccccc1 ZINC001664410430 1196995765 /nfs/dbraw/zinc/99/57/65/1196995765.db2.gz ZGVPRRCOVJKVBZ-QGZVFWFLSA-N 1 1 307.340 3.058 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@@H+](CCO)C2CCSCC2)c1 ZINC001664739407 1197046812 /nfs/dbraw/zinc/04/68/12/1197046812.db2.gz DKCUEHBMRCBHKH-UHFFFAOYSA-N 1 1 309.475 3.206 20 10 DGCDMO CC[C@H]1CN(C)CC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001664815463 1197061566 /nfs/dbraw/zinc/06/15/66/1197061566.db2.gz GUWUOIFBUAUSCK-HNNXBMFYSA-N 1 1 320.477 3.224 20 10 DGCDMO CC[C@H]1C[N@H+](C)CCN1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001664815463 1197061572 /nfs/dbraw/zinc/06/15/72/1197061572.db2.gz GUWUOIFBUAUSCK-HNNXBMFYSA-N 1 1 320.477 3.224 20 10 DGCDMO CC[C@H]1C[N@@H+](C)CCN1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001664815463 1197061576 /nfs/dbraw/zinc/06/15/76/1197061576.db2.gz GUWUOIFBUAUSCK-HNNXBMFYSA-N 1 1 320.477 3.224 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)cc1F ZINC001665471854 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3.452 20 10 DGCDMO COc1cc(C[N@H+]2CCN(C)C(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC001183560848 1083971514 /nfs/dbraw/zinc/97/15/14/1083971514.db2.gz ILVQZZUOXHVORU-UHFFFAOYSA-N 1 1 320.477 3.224 20 10 DGCDMO COc1cc(CN2CC[N@H+](C)C(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC001183560848 1083971519 /nfs/dbraw/zinc/97/15/19/1083971519.db2.gz ILVQZZUOXHVORU-UHFFFAOYSA-N 1 1 320.477 3.224 20 10 DGCDMO COc1cc(CN2CC[N@@H+](C)C(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC001183560848 1083971525 /nfs/dbraw/zinc/97/15/25/1083971525.db2.gz ILVQZZUOXHVORU-UHFFFAOYSA-N 1 1 320.477 3.224 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c1O ZINC001203602375 1084290388 /nfs/dbraw/zinc/29/03/88/1084290388.db2.gz RNLONMVXEVXVKH-GJZGRUSLSA-N 1 1 303.402 3.125 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@]1(O)C(F)(F)F ZINC001203651814 1084740087 /nfs/dbraw/zinc/74/00/87/1084740087.db2.gz XMIHREVPGDCVCO-NOZJJQNGSA-N 1 1 323.742 3.181 20 10 DGCDMO CCN(Cc1ccccc1O)c1cc(N2CCCC2)nc(C)[nH+]1 ZINC001154889773 1088814541 /nfs/dbraw/zinc/81/45/41/1088814541.db2.gz GYDMWWPFKYIBJP-UHFFFAOYSA-N 1 1 312.417 3.117 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC[C@H]1O ZINC001236793093 1089869906 /nfs/dbraw/zinc/86/99/06/1089869906.db2.gz HMGIMXSZKOYFHU-TVQRCGJNSA-N 1 1 304.217 3.292 20 10 DGCDMO C[C@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2O)CC[C@H]1O ZINC001236793093 1089869920 /nfs/dbraw/zinc/86/99/20/1089869920.db2.gz HMGIMXSZKOYFHU-TVQRCGJNSA-N 1 1 304.217 3.292 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CC[C@H]1O ZINC001236793093 1089869930 /nfs/dbraw/zinc/86/99/30/1089869930.db2.gz HMGIMXSZKOYFHU-TVQRCGJNSA-N 1 1 304.217 3.292 20 10 DGCDMO Cc1ccc2cc[nH+]c(NCCc3cc(O)c(O)cc3O)c2c1 ZINC001157245767 1089890249 /nfs/dbraw/zinc/89/02/49/1089890249.db2.gz MLXKQLZRPNNHRS-UHFFFAOYSA-N 1 1 310.353 3.315 20 10 DGCDMO Cc1cccc2c1cc[nH+]c2NCCc1cc(O)c(O)cc1O ZINC001157245678 1089891273 /nfs/dbraw/zinc/89/12/73/1089891273.db2.gz HYNBNSSNWJRBFS-UHFFFAOYSA-N 1 1 310.353 3.315 20 10 DGCDMO CC[N@H+]1CCN(Cc2c(O)ccc(F)c2Cl)C(C)(C)C1 ZINC001237127881 1090287322 /nfs/dbraw/zinc/28/73/22/1090287322.db2.gz JIYAGDXPZUHNAQ-UHFFFAOYSA-N 1 1 300.805 3.101 20 10 DGCDMO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+](Cc2ccccc2O)C1 ZINC001203550075 1090585066 /nfs/dbraw/zinc/58/50/66/1090585066.db2.gz GTXHHJNFUTWYES-OAHLLOKOSA-N 1 1 320.433 3.271 20 10 DGCDMO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1O ZINC001203550141 1090753282 /nfs/dbraw/zinc/75/32/82/1090753282.db2.gz JPOWJZZZMRGISB-CQSZACIVSA-N 1 1 320.433 3.224 20 10 DGCDMO COc1cccc(C[N@H+]2CCC(=O)[C@H](C)C23CCCC3)c1O ZINC001203601707 1090765444 /nfs/dbraw/zinc/76/54/44/1090765444.db2.gz HRFPBKQKMQGXQE-ZDUSSCGKSA-N 1 1 303.402 3.125 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](COCC3CC3)C2)c1O ZINC001203613691 1090766218 /nfs/dbraw/zinc/76/62/18/1090766218.db2.gz FKGCSKHZOXHWMB-OAHLLOKOSA-N 1 1 305.418 3.039 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c1O ZINC001203609014 1090766605 /nfs/dbraw/zinc/76/66/05/1090766605.db2.gz GBTVZLVNZSLDRN-QGZVFWFLSA-N 1 1 312.413 3.393 20 10 DGCDMO COc1cccc(CCC[N@@H+](C)Cc2ccc(OC)cc2O)c1 ZINC001203629368 1090769235 /nfs/dbraw/zinc/76/92/35/1090769235.db2.gz YFOMBBLNEKURGZ-UHFFFAOYSA-N 1 1 315.413 3.474 20 10 DGCDMO C[N@@H+](Cc1cc(Br)ccc1O)C1CC(F)(F)C1 ZINC001203636111 1090771133 /nfs/dbraw/zinc/77/11/33/1090771133.db2.gz OQFNJJRJKMEWAV-UHFFFAOYSA-N 1 1 306.150 3.384 20 10 DGCDMO Cc1ncccc1C[N@H+](C)Cc1cc(Br)ccc1O ZINC001203649955 1090773725 /nfs/dbraw/zinc/77/37/25/1090773725.db2.gz KGFLVRKFBKLRLL-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO CCC[N@H+](Cc1cc(Cl)ccc1O)C1CCN(C(C)=O)CC1 ZINC001203663945 1090775497 /nfs/dbraw/zinc/77/54/97/1090775497.db2.gz HJMMMNKGAWTICK-UHFFFAOYSA-N 1 1 324.852 3.269 20 10 DGCDMO CCC[N@@H+](Cc1cc(Cl)ccc1O)C1CCN(C(C)=O)CC1 ZINC001203663945 1090775505 /nfs/dbraw/zinc/77/55/05/1090775505.db2.gz HJMMMNKGAWTICK-UHFFFAOYSA-N 1 1 324.852 3.269 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001203663718 1090775830 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CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CC(=O)OC)C2)cc1 ZINC001203941685 1090845162 /nfs/dbraw/zinc/84/51/62/1090845162.db2.gz FHPBJZZXGXNDES-KRWDZBQOSA-N 1 1 318.461 3.308 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[N@@H+](C(C)C)[C@@H](C)C2)cc1 ZINC001203945473 1090847168 /nfs/dbraw/zinc/84/71/68/1090847168.db2.gz MZEBPWJJYLQSHI-KRWDZBQOSA-N 1 1 303.494 3.447 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCN(C(C)C)[C@@H](C)C2)cc1 ZINC001203945473 1090847173 /nfs/dbraw/zinc/84/71/73/1090847173.db2.gz MZEBPWJJYLQSHI-KRWDZBQOSA-N 1 1 303.494 3.447 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCN(C(C)C)[C@@H](C)C2)cc1 ZINC001203945473 1090847179 /nfs/dbraw/zinc/84/71/79/1090847179.db2.gz MZEBPWJJYLQSHI-KRWDZBQOSA-N 1 1 303.494 3.447 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C(=O)OC)CC2)cc1 ZINC001203946062 1090847933 /nfs/dbraw/zinc/84/79/33/1090847933.db2.gz SNHUXCGOJUNPGK-KRWDZBQOSA-N 1 1 318.461 3.308 20 10 DGCDMO CO[C@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@@H]1F ZINC001204233981 1090930168 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N[C@@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC12CC2 ZINC001204911627 1091060690 /nfs/dbraw/zinc/06/06/90/1091060690.db2.gz KGVMOEFNMHFUGU-GOSISDBHSA-N 1 1 312.388 3.121 20 10 DGCDMO Nc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC001204953600 1091071847 /nfs/dbraw/zinc/07/18/47/1091071847.db2.gz BMUPFUHSYLOQLG-IBGZPJMESA-N 1 1 324.424 3.367 20 10 DGCDMO Nc1ccc(C[N@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC001204953600 1091071855 /nfs/dbraw/zinc/07/18/55/1091071855.db2.gz BMUPFUHSYLOQLG-IBGZPJMESA-N 1 1 324.424 3.367 20 10 DGCDMO CC[C@H](C)[C@@H](C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)OC ZINC001205101413 1091102130 /nfs/dbraw/zinc/10/21/30/1091102130.db2.gz SBSKIDZNEJTXHK-KVSKMBFKSA-N 1 1 321.461 3.434 20 10 DGCDMO C[C@]1(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCCCO1 ZINC001205101922 1091102640 /nfs/dbraw/zinc/10/26/40/1091102640.db2.gz YOHVOEMNGXQVSA-PKOBYXMFSA-N 1 1 319.445 3.332 20 10 DGCDMO Cc1c(C[N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c2ccccc2n1C ZINC001138258056 1091126207 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XTAKWVPUVZQLOG-UHFFFAOYSA-N 1 1 306.450 3.152 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCOCC2(C)C)c(OC)c1 ZINC001138390460 1091165991 /nfs/dbraw/zinc/16/59/91/1091165991.db2.gz XTAKWVPUVZQLOG-UHFFFAOYSA-N 1 1 306.450 3.152 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@H]1C[NH3+] ZINC001205319347 1091184323 /nfs/dbraw/zinc/18/43/23/1091184323.db2.gz ZGMARCAKMSEVSN-CRAIPNDOSA-N 1 1 310.441 3.476 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@H]1C[NH3+] ZINC001205319347 1091184325 /nfs/dbraw/zinc/18/43/25/1091184325.db2.gz ZGMARCAKMSEVSN-CRAIPNDOSA-N 1 1 310.441 3.476 20 10 DGCDMO [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001205570158 1091260395 /nfs/dbraw/zinc/26/03/95/1091260395.db2.gz GKLZJGZSFFLTSR-SFHVURJKSA-N 1 1 302.393 3.198 20 10 DGCDMO [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001205570158 1091260400 /nfs/dbraw/zinc/26/04/00/1091260400.db2.gz GKLZJGZSFFLTSR-SFHVURJKSA-N 1 1 302.393 3.198 20 10 DGCDMO 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3.355 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+](C)CCc3ccccc3)cc2)CC1 ZINC001139404708 1091549980 /nfs/dbraw/zinc/54/99/80/1091549980.db2.gz WTNHKUOEEXJNCV-UHFFFAOYSA-N 1 1 323.484 3.113 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+](C)CCc3ccccc3)cc2)CC1 ZINC001139404708 1091549988 /nfs/dbraw/zinc/54/99/88/1091549988.db2.gz WTNHKUOEEXJNCV-UHFFFAOYSA-N 1 1 323.484 3.113 20 10 DGCDMO COc1cc(N(C)C)ccc1CN(C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206598471 1091684304 /nfs/dbraw/zinc/68/43/04/1091684304.db2.gz KJNMCGFLOKYOED-KRWDZBQOSA-N 1 1 319.493 3.114 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc(F)ccc1O ZINC001140055137 1091751710 /nfs/dbraw/zinc/75/17/10/1091751710.db2.gz LBIWOXQXMBRWTI-HNNXBMFYSA-N 1 1 314.404 3.238 20 10 DGCDMO C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cc(F)ccc1O ZINC001140055137 1091751720 /nfs/dbraw/zinc/75/17/20/1091751720.db2.gz LBIWOXQXMBRWTI-HNNXBMFYSA-N 1 1 314.404 3.238 20 10 DGCDMO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1cc(F)ccc1O ZINC001140055137 1091751727 /nfs/dbraw/zinc/75/17/27/1091751727.db2.gz LBIWOXQXMBRWTI-HNNXBMFYSA-N 1 1 314.404 3.238 20 10 DGCDMO Cc1ccc(C)c(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1O ZINC001140179892 1091794127 /nfs/dbraw/zinc/79/41/27/1091794127.db2.gz QPOLDOOOACOCFH-LJQANCHMSA-N 1 1 310.441 3.498 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001140464272 1091876920 /nfs/dbraw/zinc/87/69/20/1091876920.db2.gz JCIKRJXICTYJSW-MRXNPFEDSA-N 1 1 318.804 3.484 20 10 DGCDMO C[N@@H+](Cc1ccc(OC(F)F)c(O)c1)Cc1ccccc1O ZINC001140630192 1091938118 /nfs/dbraw/zinc/93/81/18/1091938118.db2.gz LZJOYXAWRUGDKI-UHFFFAOYSA-N 1 1 309.312 3.331 20 10 DGCDMO Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140746427 1091983917 /nfs/dbraw/zinc/98/39/17/1091983917.db2.gz YRLUCYDOUKDPRI-INIZCTEOSA-N 1 1 313.397 3.368 20 10 DGCDMO Cc1c(O)ccc(C[N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)c1O ZINC001140751258 1091984595 /nfs/dbraw/zinc/98/45/95/1091984595.db2.gz PACUNDBQEQVUFA-CYBMUJFWSA-N 1 1 303.402 3.130 20 10 DGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c1O 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3.060 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC001321942998 1107468790 /nfs/dbraw/zinc/46/87/90/1107468790.db2.gz DQUVYWOWOJYUJA-RTBURBONSA-N 1 1 300.446 3.430 20 10 DGCDMO Cc1cc(-c2nnc(C[NH+](C)C)o2)c(C)n1-c1ccc(F)cc1 ZINC001324178500 1108198958 /nfs/dbraw/zinc/19/89/58/1108198958.db2.gz OLIMRRBPHOMBIN-UHFFFAOYSA-N 1 1 314.364 3.345 20 10 DGCDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319932694 1108700125 /nfs/dbraw/zinc/70/01/25/1108700125.db2.gz RFQRYVODKDZNOY-OAHLLOKOSA-N 1 1 307.457 3.054 20 10 DGCDMO Cc1cc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)ccc1N(C)C ZINC001307861344 1111347297 /nfs/dbraw/zinc/34/72/97/1111347297.db2.gz VHWQRRYTFGXYAO-HXUWFJFHSA-N 1 1 312.457 3.401 20 10 DGCDMO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)[C@H](C)C1 ZINC001308269410 1111408660 /nfs/dbraw/zinc/40/86/60/1111408660.db2.gz QWYSNUVFQGYKMK-HLIPFELVSA-N 1 1 315.505 3.353 20 10 DGCDMO COc1cccc(O[C@@H](C)C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC001308285377 1111410584 /nfs/dbraw/zinc/41/05/84/1111410584.db2.gz PIURPIUQXHQZAH-NSHDSACASA-N 1 1 323.339 3.236 20 10 DGCDMO Cc1cccc2c1C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)CO2 ZINC001308473624 1111432668 /nfs/dbraw/zinc/43/26/68/1111432668.db2.gz LKICSVWALFBPJE-ZDUSSCGKSA-N 1 1 305.324 3.072 20 10 DGCDMO CCN(CC)c1ccc(CNCC[N@@H+]2CCC(C)(C)C2)cc1 ZINC001308548397 1111441757 /nfs/dbraw/zinc/44/17/57/1111441757.db2.gz RAQNDHWQRBUNBH-UHFFFAOYSA-N 1 1 303.494 3.354 20 10 DGCDMO CCN(CC)c1ccc(CNCC[N@H+]2CCC(C)(C)C2)cc1 ZINC001308548397 1111441762 /nfs/dbraw/zinc/44/17/62/1111441762.db2.gz RAQNDHWQRBUNBH-UHFFFAOYSA-N 1 1 303.494 3.354 20 10 DGCDMO CC(C)c1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC001308569777 1111445701 /nfs/dbraw/zinc/44/57/01/1111445701.db2.gz IWOJJBHKNMLHHI-FUHWJXTLSA-N 1 1 302.462 3.432 20 10 DGCDMO CC(C)c1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC001308569777 1111445704 /nfs/dbraw/zinc/44/57/04/1111445704.db2.gz IWOJJBHKNMLHHI-FUHWJXTLSA-N 1 1 302.462 3.432 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)Cc1cc2ccc(F)cc2[nH]c1=O ZINC001308624379 1111451944 /nfs/dbraw/zinc/45/19/44/1111451944.db2.gz MAXCNFZFYQCHBY-UHFFFAOYSA-N 1 1 312.344 3.417 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCCC3(CCOCC3)C2)c(O)c1 ZINC001308730749 1111466703 /nfs/dbraw/zinc/46/67/03/1111466703.db2.gz INCHUKUCEARYPH-UHFFFAOYSA-N 1 1 305.418 3.102 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@]2(CO)CC(C)C)c1O ZINC001308733777 1111467638 /nfs/dbraw/zinc/46/76/38/1111467638.db2.gz RWOUGEUNCJRTRM-SFHVURJKSA-N 1 1 307.434 3.082 20 10 DGCDMO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1c(C)cc(OC)cc1O ZINC001308844109 1111483444 /nfs/dbraw/zinc/48/34/44/1111483444.db2.gz YAYGVOSDIMGMLT-HNNXBMFYSA-N 1 1 323.433 3.261 20 10 DGCDMO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1c(C)cc(OC)cc1O ZINC001308844109 1111483446 /nfs/dbraw/zinc/48/34/46/1111483446.db2.gz YAYGVOSDIMGMLT-HNNXBMFYSA-N 1 1 323.433 3.261 20 10 DGCDMO CC[C@H]([NH2+]Cc1cc(F)c(F)cc1O)[C@@H](O)c1ccccc1 ZINC001308931840 1111496021 /nfs/dbraw/zinc/49/60/21/1111496021.db2.gz VQIDDMLZZZFJHG-RDJZCZTQSA-N 1 1 307.340 3.272 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cnccn2)cc1F ZINC000092591130 185328070 /nfs/dbraw/zinc/32/80/70/185328070.db2.gz ZWDJHPKLJLWPOO-UHFFFAOYSA-N 1 1 302.397 3.094 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnccn2)cc1F ZINC000092591130 185328071 /nfs/dbraw/zinc/32/80/71/185328071.db2.gz ZWDJHPKLJLWPOO-UHFFFAOYSA-N 1 1 302.397 3.094 20 10 DGCDMO CCC[N@@H+](Cc1ccc(C(=O)NC)cc1)Cc1ccccc1O ZINC000066873577 432024025 /nfs/dbraw/zinc/02/40/25/432024025.db2.gz RQYHPGVZHSAJOI-UHFFFAOYSA-N 1 1 312.413 3.164 20 10 DGCDMO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccccc2O)c(C)c1C ZINC000072629621 191204351 /nfs/dbraw/zinc/20/43/51/191204351.db2.gz RPDQQLBFVCTSAK-UHFFFAOYSA-N 1 1 318.442 3.449 20 10 DGCDMO Cc1sc(NC(=O)C[N@H+](C)Cc2ccccc2O)c(C)c1C ZINC000072629621 191204353 /nfs/dbraw/zinc/20/43/53/191204353.db2.gz RPDQQLBFVCTSAK-UHFFFAOYSA-N 1 1 318.442 3.449 20 10 DGCDMO C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192617626 299272308 /nfs/dbraw/zinc/27/23/08/299272308.db2.gz VMNIVDUKJBYNEO-VIFPVBQESA-N 1 1 303.233 3.444 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000179977855 432075693 /nfs/dbraw/zinc/07/56/93/432075693.db2.gz LSRUYTCUXPWSMZ-INIZCTEOSA-N 1 1 305.349 3.306 20 10 DGCDMO CC(=O)c1cc(F)cc(C[NH+]2CCC3(CCCC3=O)CC2)c1O ZINC000852631122 620635744 /nfs/dbraw/zinc/63/57/44/620635744.db2.gz ICDDYMNAHUGGJK-UHFFFAOYSA-N 1 1 319.376 3.069 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000246123119 432097000 /nfs/dbraw/zinc/09/70/00/432097000.db2.gz KLOPYCHTQYNVQC-MSOLQXFVSA-N 1 1 320.502 3.239 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000092975342 193191353 /nfs/dbraw/zinc/19/13/53/193191353.db2.gz BRIVGPMNJKKZMW-SFHVURJKSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000092975342 193191354 /nfs/dbraw/zinc/19/13/54/193191354.db2.gz BRIVGPMNJKKZMW-SFHVURJKSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc3c(cc2O)OCO3)s1 ZINC000093275637 193223865 /nfs/dbraw/zinc/22/38/65/193223865.db2.gz YZGVMUGMCCKORE-JTQLQIEISA-N 1 1 320.414 3.387 20 10 DGCDMO COc1cc2c(cc1OC)C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC000179881273 533169480 /nfs/dbraw/zinc/16/94/80/533169480.db2.gz QIIHWLRNZXAVKV-UHFFFAOYSA-N 1 1 317.360 3.107 20 10 DGCDMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC000179881273 533169490 /nfs/dbraw/zinc/16/94/90/533169490.db2.gz QIIHWLRNZXAVKV-UHFFFAOYSA-N 1 1 317.360 3.107 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)c1 ZINC000273540896 130134134 /nfs/dbraw/zinc/13/41/34/130134134.db2.gz YFYZTQXERCCUQI-MEBBXXQBSA-N 1 1 323.339 3.063 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(F)cc1O ZINC000285890118 131208034 /nfs/dbraw/zinc/20/80/34/131208034.db2.gz CFGZYUGQXSJKTC-NVXWUHKLSA-N 1 1 307.340 3.445 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(F)cc1O ZINC000286157926 131222728 /nfs/dbraw/zinc/22/27/28/131222728.db2.gz PSUYSWDNOOZUPU-NVXWUHKLSA-N 1 1 307.340 3.445 20 10 DGCDMO COc1ccncc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000287193374 131268076 /nfs/dbraw/zinc/26/80/76/131268076.db2.gz HVPQUVFGMVSMBG-UHFFFAOYSA-N 1 1 311.429 3.321 20 10 DGCDMO COc1ccncc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000287193374 131268078 /nfs/dbraw/zinc/26/80/78/131268078.db2.gz HVPQUVFGMVSMBG-UHFFFAOYSA-N 1 1 311.429 3.321 20 10 DGCDMO COCCOCc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000288952558 131347330 /nfs/dbraw/zinc/34/73/30/131347330.db2.gz AENXJNJSZJCSDM-UHFFFAOYSA-N 1 1 315.413 3.187 20 10 DGCDMO CCCCCC[N@@H+](C)CC(=O)NCc1cc(Cl)ccc1O ZINC001628667046 1194190517 /nfs/dbraw/zinc/19/05/17/1194190517.db2.gz OLUPKZNTXVNIHS-UHFFFAOYSA-N 1 1 312.841 3.174 20 10 DGCDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(OC)c2O)o1 ZINC000137064452 432170702 /nfs/dbraw/zinc/17/07/02/432170702.db2.gz YOGBZYMNVUJMJD-HNNXBMFYSA-N 1 1 317.385 3.477 20 10 DGCDMO Cc1cccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000179725301 228353171 /nfs/dbraw/zinc/35/31/71/228353171.db2.gz QQCITZFKLWSMAT-UHFFFAOYSA-N 1 1 324.424 3.049 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC(C)(C)OC)c1 ZINC000273465330 277161028 /nfs/dbraw/zinc/16/10/28/277161028.db2.gz DQNJCAONSXECKN-RYUDHWBXSA-N 1 1 309.406 3.033 20 10 DGCDMO C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1ccccc1O ZINC000109772751 431178241 /nfs/dbraw/zinc/17/82/41/431178241.db2.gz UUJJAMVDLCAPJP-UHFFFAOYSA-N 1 1 324.424 3.015 20 10 DGCDMO Cc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000013994570 431573599 /nfs/dbraw/zinc/57/35/99/431573599.db2.gz ONEHGIFBQJLYQJ-INIZCTEOSA-N 1 1 301.386 3.475 20 10 DGCDMO C[N@@H+](CCc1ccccn1)Cc1cc(Br)ccc1O ZINC000120821763 431735095 /nfs/dbraw/zinc/73/50/95/431735095.db2.gz OZVOUUDJKWKVTN-UHFFFAOYSA-N 1 1 321.218 3.224 20 10 DGCDMO CCCOc1ccc(C[N@@H+](C)CCc2ccccn2)c(O)c1 ZINC000120822217 431735409 /nfs/dbraw/zinc/73/54/09/431735409.db2.gz FDDVFOLMZOJSAN-UHFFFAOYSA-N 1 1 300.402 3.251 20 10 DGCDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1O ZINC000120033430 431721787 /nfs/dbraw/zinc/72/17/87/431721787.db2.gz VLAGOXXDAXYJRL-UHFFFAOYSA-N 1 1 315.369 3.152 20 10 DGCDMO CC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000038097943 431855238 /nfs/dbraw/zinc/85/52/38/431855238.db2.gz WMIPSQCEOSGTLO-UHFFFAOYSA-N 1 1 303.233 3.273 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c1O ZINC000093442518 431916547 /nfs/dbraw/zinc/91/65/47/431916547.db2.gz HCWSARMTORMMDV-KRWDZBQOSA-N 1 1 315.413 3.346 20 10 DGCDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000093863972 431918705 /nfs/dbraw/zinc/91/87/05/431918705.db2.gz GZTPESCRXRKYMU-AWEZNQCLSA-N 1 1 305.809 3.289 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2cccc(N(C)C)c2)c1O ZINC000093863573 431918979 /nfs/dbraw/zinc/91/89/79/431918979.db2.gz HRUOJACWGFDTSB-UHFFFAOYSA-N 1 1 300.402 3.099 20 10 DGCDMO C[NH+](C)C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000125463477 431926540 /nfs/dbraw/zinc/92/65/40/431926540.db2.gz RSNBYTLEIBIGOF-SFHVURJKSA-N 1 1 301.478 3.060 20 10 DGCDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000091832651 431905481 /nfs/dbraw/zinc/90/54/81/431905481.db2.gz NOJCAJMHGVPTBP-LLVKDONJSA-N 1 1 307.781 3.117 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)ccc1O ZINC000125962592 431939321 /nfs/dbraw/zinc/93/93/21/431939321.db2.gz SLGLOXWCTUZBKD-UHFFFAOYSA-N 1 1 318.392 3.238 20 10 DGCDMO CCC[NH+]1CCC(NCc2ccc3c(c2)CCCN3C)CC1 ZINC000126657569 431955225 /nfs/dbraw/zinc/95/52/25/431955225.db2.gz UCNDHOMFQUOGKS-UHFFFAOYSA-N 1 1 301.478 3.033 20 10 DGCDMO CCCN1CCC([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC000126657569 431955227 /nfs/dbraw/zinc/95/52/27/431955227.db2.gz UCNDHOMFQUOGKS-UHFFFAOYSA-N 1 1 301.478 3.033 20 10 DGCDMO CC(=O)N1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271042078 432320240 /nfs/dbraw/zinc/32/02/40/432320240.db2.gz NSPMDEOBCOYNAQ-UHFFFAOYSA-N 1 1 324.424 3.113 20 10 DGCDMO CC(C)NC(=O)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192649982 432396466 /nfs/dbraw/zinc/39/64/66/432396466.db2.gz QGNVBAZDCJPIIJ-SECBINFHSA-N 1 1 319.232 3.264 20 10 DGCDMO C[C@H]([NH2+]CCCC(=O)N(C)C)c1cc(Cl)c(Cl)cc1O ZINC000192762475 432411380 /nfs/dbraw/zinc/41/13/80/432411380.db2.gz ZKLAZDOKLVRTCO-VIFPVBQESA-N 1 1 319.232 3.218 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](CCO)Cc2ccccc2)c1O ZINC000184672179 432419237 /nfs/dbraw/zinc/41/92/37/432419237.db2.gz LWFOOYRJLCOSSD-UHFFFAOYSA-N 1 1 321.804 3.049 20 10 DGCDMO COC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)c1ccco1 ZINC000184709702 432423818 /nfs/dbraw/zinc/42/38/18/432423818.db2.gz YTROWUWEJJAUMR-LBPRGKRZSA-N 1 1 311.765 3.125 20 10 DGCDMO CO[C@@H](C)c1nc(CNCc2cccc(Cl)c2[O-])cs1 ZINC000271840954 432427041 /nfs/dbraw/zinc/42/70/41/432427041.db2.gz QXGGDWQUYQWKSV-VIFPVBQESA-N 1 1 312.822 3.499 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1C ZINC000176124299 432494220 /nfs/dbraw/zinc/49/42/20/432494220.db2.gz SNGHTBOUUAZGOO-JOCHJYFZSA-N 1 1 317.454 3.378 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O ZINC000185442409 432501209 /nfs/dbraw/zinc/50/12/09/432501209.db2.gz YOQRUPFEDFUTGJ-AAEUAGOBSA-N 1 1 324.396 3.191 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1O ZINC000185581088 432511858 /nfs/dbraw/zinc/51/18/58/432511858.db2.gz XFCNVXFDGLVXGK-OAHLLOKOSA-N 1 1 305.418 3.254 20 10 DGCDMO C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000193280324 432462604 /nfs/dbraw/zinc/46/26/04/432462604.db2.gz ALSFMWDXLWIRHL-KEJSXXJDSA-N 1 1 310.246 3.117 20 10 DGCDMO Cc1ccc(O)c(C[NH2+]Cc2cc(COC(C)(C)C)on2)c1 ZINC000186418057 432592679 /nfs/dbraw/zinc/59/26/79/432592679.db2.gz CXOICOVPFGNPQH-UHFFFAOYSA-N 1 1 304.390 3.294 20 10 DGCDMO C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215587 432723905 /nfs/dbraw/zinc/72/39/05/432723905.db2.gz BTQBJKINLQTVMY-PXNSSMCTSA-N 1 1 315.505 3.449 20 10 DGCDMO CCOC1CC(CC[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000276709342 432824773 /nfs/dbraw/zinc/82/47/73/432824773.db2.gz WMVJFIYLNWQFJH-OPFPJEHXSA-N 1 1 321.417 3.035 20 10 DGCDMO CC[N@@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278216921 432889262 /nfs/dbraw/zinc/88/92/62/432889262.db2.gz LCGBYBRZRORKKR-UHFFFAOYSA-N 1 1 322.386 3.393 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)Cc2ccccc2C)ccc1[N+](=O)[O-] ZINC000278202588 432889478 /nfs/dbraw/zinc/88/94/78/432889478.db2.gz JCXVOOANMYBXQO-UHFFFAOYSA-N 1 1 316.357 3.249 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cc(F)ncc2F)cc1 ZINC000296261285 432889755 /nfs/dbraw/zinc/88/97/55/432889755.db2.gz DIYUMGUFWDYOTM-UHFFFAOYSA-N 1 1 305.372 3.496 20 10 DGCDMO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278369207 432891493 /nfs/dbraw/zinc/89/14/93/432891493.db2.gz BYUNYPIBLQJQHP-BDAKNGLRSA-N 1 1 319.232 3.216 20 10 DGCDMO C[C@@H](c1ccc(F)cc1O)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296587636 432923143 /nfs/dbraw/zinc/92/31/43/432923143.db2.gz UTSHJXTWWGWKMO-QWHCGFSZSA-N 1 1 322.424 3.206 20 10 DGCDMO C[C@@H](c1ccc(F)cc1O)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296587636 432923146 /nfs/dbraw/zinc/92/31/46/432923146.db2.gz UTSHJXTWWGWKMO-QWHCGFSZSA-N 1 1 322.424 3.206 20 10 DGCDMO C[C@@H](c1ccc(F)cc1O)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296587637 432923300 /nfs/dbraw/zinc/92/33/00/432923300.db2.gz UTSHJXTWWGWKMO-STQMWFEESA-N 1 1 322.424 3.206 20 10 DGCDMO C[C@@H](c1ccc(F)cc1O)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296587637 432923302 /nfs/dbraw/zinc/92/33/02/432923302.db2.gz UTSHJXTWWGWKMO-STQMWFEESA-N 1 1 322.424 3.206 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2nc(C)no2)c1 ZINC000289666642 432971118 /nfs/dbraw/zinc/97/11/18/432971118.db2.gz DDIQQXVBNPOHTP-OAHLLOKOSA-N 1 1 317.389 3.210 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2nc(C)no2)c1 ZINC000289666642 432971119 /nfs/dbraw/zinc/97/11/19/432971119.db2.gz DDIQQXVBNPOHTP-OAHLLOKOSA-N 1 1 317.389 3.210 20 10 DGCDMO CCCOc1ccc(C[NH2+]Cc2csc(COC)n2)c(O)c1 ZINC000289684408 432971442 /nfs/dbraw/zinc/97/14/42/432971442.db2.gz CRYYSPIHSJLWGB-UHFFFAOYSA-N 1 1 322.430 3.074 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289814549 432974546 /nfs/dbraw/zinc/97/45/46/432974546.db2.gz SZKVJCCVUWCWCP-CYBMUJFWSA-N 1 1 323.742 3.325 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](Cc2c[nH]c3nccnc23)C2CC2)cc1 ZINC000290391260 433043478 /nfs/dbraw/zinc/04/34/78/433043478.db2.gz JJZIXGNXQAYDMK-UHFFFAOYSA-N 1 1 321.428 3.189 20 10 DGCDMO CN1CCC([N@@H+](Cc2ccco2)Cc2ccccc2O)CC1 ZINC000290454609 433056669 /nfs/dbraw/zinc/05/66/69/433056669.db2.gz MPCLDDPMESXZDD-UHFFFAOYSA-N 1 1 300.402 3.082 20 10 DGCDMO C[NH+]1CCC(N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000290454609 433056678 /nfs/dbraw/zinc/05/66/78/433056678.db2.gz MPCLDDPMESXZDD-UHFFFAOYSA-N 1 1 300.402 3.082 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@]2(C)CCCO)c(O)c1 ZINC000290447261 433054054 /nfs/dbraw/zinc/05/40/54/433054054.db2.gz MDDBRNXRERBSAQ-SFHVURJKSA-N 1 1 307.434 3.308 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](c3nccn3C)C2)cc1F ZINC000373227182 433133298 /nfs/dbraw/zinc/13/32/98/433133298.db2.gz JHVMTPZSOZXKED-HNNXBMFYSA-N 1 1 316.424 3.005 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O ZINC000290952953 433210388 /nfs/dbraw/zinc/21/03/88/433210388.db2.gz QULHPIITXSCJEE-AEFFLSMTSA-N 1 1 317.429 3.324 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290901150 433203217 /nfs/dbraw/zinc/20/32/17/433203217.db2.gz MCNCOGAVXYMKPD-NSHDSACASA-N 1 1 312.200 3.343 20 10 DGCDMO CCC[N@H+](Cc1ncnn1-c1ccccc1)Cc1ccccc1O ZINC000282138337 433507775 /nfs/dbraw/zinc/50/77/75/433507775.db2.gz ZGMGKZIGQJTJER-UHFFFAOYSA-N 1 1 322.412 3.385 20 10 DGCDMO CCC[N@@H+](Cc1ncnn1-c1ccccc1)Cc1ccccc1O ZINC000282138337 433507783 /nfs/dbraw/zinc/50/77/83/433507783.db2.gz ZGMGKZIGQJTJER-UHFFFAOYSA-N 1 1 322.412 3.385 20 10 DGCDMO CCCC[N@@H+](CC(=O)c1cccn1C)Cc1ccccc1O ZINC000282377304 433584881 /nfs/dbraw/zinc/58/48/81/433584881.db2.gz FQUQRGOVILIZCB-UHFFFAOYSA-N 1 1 300.402 3.216 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC3(CCC3)[C@H]2C(C)C)cc1OC ZINC000292717201 433590205 /nfs/dbraw/zinc/59/02/05/433590205.db2.gz DUYCCGAQWKGFTB-QGZVFWFLSA-N 1 1 305.418 3.420 20 10 DGCDMO CCC[N@@H+](Cc1ccnn1CCCOC)Cc1ccccc1O ZINC000282750751 433625440 /nfs/dbraw/zinc/62/54/40/433625440.db2.gz GXBGTYJNMMHSQM-UHFFFAOYSA-N 1 1 317.433 3.037 20 10 DGCDMO Cc1noc([C@H]2CCC[N@H+]2Cc2ccc(N(C)C)c(C)c2)n1 ZINC000293635713 433812745 /nfs/dbraw/zinc/81/27/45/433812745.db2.gz RJSAFRRFAOTFON-MRXNPFEDSA-N 1 1 300.406 3.090 20 10 DGCDMO Cc1noc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)C)c(C)c2)n1 ZINC000293635713 433812753 /nfs/dbraw/zinc/81/27/53/433812753.db2.gz RJSAFRRFAOTFON-MRXNPFEDSA-N 1 1 300.406 3.090 20 10 DGCDMO CCC[C@]1(CO)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000377836109 434015311 /nfs/dbraw/zinc/01/53/11/434015311.db2.gz YYZRVNIYOSHZOQ-HNNXBMFYSA-N 1 1 301.789 3.169 20 10 DGCDMO CCC[C@]1(CO)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000377836109 434015319 /nfs/dbraw/zinc/01/53/19/434015319.db2.gz YYZRVNIYOSHZOQ-HNNXBMFYSA-N 1 1 301.789 3.169 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000285703037 434044092 /nfs/dbraw/zinc/04/40/92/434044092.db2.gz PCXPXMAXSLTTKP-NVXWUHKLSA-N 1 1 307.340 3.445 20 10 DGCDMO CCN(CC)c1ccc(CNCc2n[nH]c(C(C)C)n2)cc1F ZINC000294915843 434155526 /nfs/dbraw/zinc/15/55/26/434155526.db2.gz YJJQFTVAJUSYSE-UHFFFAOYSA-N 1 1 319.428 3.203 20 10 DGCDMO CC[C@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1ccccc1O ZINC000295068159 434179206 /nfs/dbraw/zinc/17/92/06/434179206.db2.gz QTTHFKBAGPMITA-LBPRGKRZSA-N 1 1 311.307 3.442 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)[C@H](CO)c2ccccc2)cc1F ZINC000295076033 434183201 /nfs/dbraw/zinc/18/32/01/434183201.db2.gz PTSFLDHQIRIICW-GOSISDBHSA-N 1 1 302.393 3.057 20 10 DGCDMO CCOC[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295497449 434387531 /nfs/dbraw/zinc/38/75/31/434387531.db2.gz YCQNDZZXOBPOPQ-NSHDSACASA-N 1 1 301.789 3.433 20 10 DGCDMO CCOC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295497449 434387540 /nfs/dbraw/zinc/38/75/40/434387540.db2.gz YCQNDZZXOBPOPQ-NSHDSACASA-N 1 1 301.789 3.433 20 10 DGCDMO COc1ncc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1Cl ZINC000295843760 434440488 /nfs/dbraw/zinc/44/04/88/434440488.db2.gz ARSKDJZBQGHVHX-VIFPVBQESA-N 1 1 310.756 3.439 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000368144510 434568336 /nfs/dbraw/zinc/56/83/36/434568336.db2.gz ZTDFJDSZFGHWOK-GOSISDBHSA-N 1 1 300.446 3.145 20 10 DGCDMO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000372412866 434823506 /nfs/dbraw/zinc/82/35/06/434823506.db2.gz AIKQPYPNPNUBPE-HNNXBMFYSA-N 1 1 322.836 3.023 20 10 DGCDMO O=C([C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O)N1CCCC1 ZINC000372417318 434824041 /nfs/dbraw/zinc/82/40/41/434824041.db2.gz VNTJOALEBNZNPH-OAHLLOKOSA-N 1 1 322.836 3.023 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)CCOc2ccccc2F)c1 ZINC000179620482 534197997 /nfs/dbraw/zinc/19/79/97/534197997.db2.gz QDKPZDOZFKGPPY-UHFFFAOYSA-N 1 1 305.349 3.051 20 10 DGCDMO Oc1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000179568458 534457199 /nfs/dbraw/zinc/45/71/99/534457199.db2.gz UAUJEJLZFOAROT-QGZVFWFLSA-N 1 1 305.324 3.244 20 10 DGCDMO Oc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000179568458 534457204 /nfs/dbraw/zinc/45/72/04/534457204.db2.gz UAUJEJLZFOAROT-QGZVFWFLSA-N 1 1 305.324 3.244 20 10 DGCDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000179938322 521057792 /nfs/dbraw/zinc/05/77/92/521057792.db2.gz MZJLKAXHTZRSFD-RDJZCZTQSA-N 1 1 318.461 3.217 20 10 DGCDMO COC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(C)o1 ZINC000266960483 522364943 /nfs/dbraw/zinc/36/49/43/522364943.db2.gz JWZVKURDPITSCX-OAHLLOKOSA-N 1 1 306.381 3.270 20 10 DGCDMO CC[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(F)cc1O ZINC000367613966 522843068 /nfs/dbraw/zinc/84/30/68/522843068.db2.gz GPNVTJOQPBAHPT-MRXNPFEDSA-N 1 1 317.408 3.348 20 10 DGCDMO C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)CC(C)(C)O ZINC000183074377 523271976 /nfs/dbraw/zinc/27/19/76/523271976.db2.gz LPUFZYGOCDCPSL-UHFFFAOYSA-N 1 1 315.413 3.174 20 10 DGCDMO Cc1cccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)c1O ZINC000188657768 524432974 /nfs/dbraw/zinc/43/29/74/524432974.db2.gz ARTKMCGETXZHGM-UHFFFAOYSA-N 1 1 304.390 3.294 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000127151770 525339452 /nfs/dbraw/zinc/33/94/52/525339452.db2.gz KPWSEKDBMXQMCP-OAHLLOKOSA-N 1 1 322.412 3.474 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000179977870 526346023 /nfs/dbraw/zinc/34/60/23/526346023.db2.gz LSRUYTCUXPWSMZ-MRXNPFEDSA-N 1 1 305.349 3.306 20 10 DGCDMO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000179936444 526349543 /nfs/dbraw/zinc/34/95/43/526349543.db2.gz KOMRBGQTQAVGHX-KRWDZBQOSA-N 1 1 305.324 3.244 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000179936444 526349548 /nfs/dbraw/zinc/34/95/48/526349548.db2.gz KOMRBGQTQAVGHX-KRWDZBQOSA-N 1 1 305.324 3.244 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@]12CCOC2 ZINC000368485976 526432086 /nfs/dbraw/zinc/43/20/86/526432086.db2.gz AADWFVNHQHJATA-LJQANCHMSA-N 1 1 300.446 3.432 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCc2ccccn2)c1O ZINC000126771643 527206590 /nfs/dbraw/zinc/20/65/90/527206590.db2.gz LYXMHAFCFFPCRA-UHFFFAOYSA-N 1 1 318.804 3.318 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCc2ccccn2)c1O ZINC000126771643 527206600 /nfs/dbraw/zinc/20/66/00/527206600.db2.gz LYXMHAFCFFPCRA-UHFFFAOYSA-N 1 1 318.804 3.318 20 10 DGCDMO CCOCCC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273485589 535488060 /nfs/dbraw/zinc/48/80/60/535488060.db2.gz NHFCHKWFYMXGLM-CYBMUJFWSA-N 1 1 321.417 3.036 20 10 DGCDMO CCOCC[N@@H+](CC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000299337286 535584708 /nfs/dbraw/zinc/58/47/08/535584708.db2.gz KZEWJANICYLTTD-UHFFFAOYSA-N 1 1 320.477 3.160 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(F)cc1O ZINC000286239905 535804873 /nfs/dbraw/zinc/80/48/73/535804873.db2.gz TYJUETSKFAEMJN-NVXWUHKLSA-N 1 1 303.377 3.176 20 10 DGCDMO CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(F)cc1O ZINC000285499292 535808140 /nfs/dbraw/zinc/80/81/40/535808140.db2.gz AFTOIBHERDIBTR-CKEIUWERSA-N 1 1 322.424 3.265 20 10 DGCDMO CC[C@H]([NH2+]CCOc1ncccc1F)c1ccc(F)cc1O ZINC000286191211 535903862 /nfs/dbraw/zinc/90/38/62/535903862.db2.gz QUXUPKSLGUQQEO-AWEZNQCLSA-N 1 1 308.328 3.185 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(F)cc1O ZINC000285791348 535936272 /nfs/dbraw/zinc/93/62/72/535936272.db2.gz USHYUERWQUBCDO-LSDHHAIUSA-N 1 1 303.381 3.383 20 10 DGCDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccc(N(C)C)c(F)c1 ZINC000733325270 574615921 /nfs/dbraw/zinc/61/59/21/574615921.db2.gz HKVPUOXERXMMLD-OWCLPIDISA-N 1 1 321.484 3.348 20 10 DGCDMO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733325270 574615922 /nfs/dbraw/zinc/61/59/22/574615922.db2.gz HKVPUOXERXMMLD-OWCLPIDISA-N 1 1 321.484 3.348 20 10 DGCDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccc(N(C)C)c(F)c1 ZINC000733325272 574615974 /nfs/dbraw/zinc/61/59/74/574615974.db2.gz HKVPUOXERXMMLD-XHSDSOJGSA-N 1 1 321.484 3.348 20 10 DGCDMO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733325272 574615975 /nfs/dbraw/zinc/61/59/75/574615975.db2.gz HKVPUOXERXMMLD-XHSDSOJGSA-N 1 1 321.484 3.348 20 10 DGCDMO Cc1cc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000736600171 574760350 /nfs/dbraw/zinc/76/03/50/574760350.db2.gz SEZVQOOPAOBMBB-QLEMLULZSA-N 1 1 323.502 3.339 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000736600171 574760352 /nfs/dbraw/zinc/76/03/52/574760352.db2.gz SEZVQOOPAOBMBB-QLEMLULZSA-N 1 1 323.502 3.339 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000738103936 574859381 /nfs/dbraw/zinc/85/93/81/574859381.db2.gz HVOCOXQWBCMIJY-INIZCTEOSA-N 1 1 311.429 3.001 20 10 DGCDMO Oc1ccc2ccncc2c1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000738103936 574859384 /nfs/dbraw/zinc/85/93/84/574859384.db2.gz HVOCOXQWBCMIJY-INIZCTEOSA-N 1 1 311.429 3.001 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCOC[C@H]2CCCO2)cc1 ZINC000741244840 574954132 /nfs/dbraw/zinc/95/41/32/574954132.db2.gz KKWQTFBZFZPRJR-LJQANCHMSA-N 1 1 320.477 3.160 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000741678528 574966484 /nfs/dbraw/zinc/96/64/84/574966484.db2.gz SWPLAYJLXIKOBL-HNNXBMFYSA-N 1 1 319.493 3.268 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCC(=O)OC(C)C)cc1 ZINC000743839293 575064840 /nfs/dbraw/zinc/06/48/40/575064840.db2.gz BSXRNMNPIFTMGV-UHFFFAOYSA-N 1 1 306.450 3.306 20 10 DGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)CC1(C)COC1 ZINC000743870974 575067435 /nfs/dbraw/zinc/06/74/35/575067435.db2.gz JZJLQIMOMTZPBF-UHFFFAOYSA-N 1 1 314.223 3.013 20 10 DGCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H]1CCOC1 ZINC000743873705 575067665 /nfs/dbraw/zinc/06/76/65/575067665.db2.gz RXNRAOAJFURLAY-LLVKDONJSA-N 1 1 314.223 3.013 20 10 DGCDMO CC(C)(C)[N@H+]1CCCN(Cc2c(O)ccc3ccncc32)CC1 ZINC000748081839 575559742 /nfs/dbraw/zinc/55/97/42/575559742.db2.gz DXHPQZPCHRWEPL-UHFFFAOYSA-N 1 1 313.445 3.247 20 10 DGCDMO CC(C)(C)N1CCC[N@H+](Cc2c(O)ccc3ccncc32)CC1 ZINC000748081839 575559745 /nfs/dbraw/zinc/55/97/45/575559745.db2.gz DXHPQZPCHRWEPL-UHFFFAOYSA-N 1 1 313.445 3.247 20 10 DGCDMO CC(C)(C)N1CCC[N@@H+](Cc2c(O)ccc3ccncc32)CC1 ZINC000748081839 575559747 /nfs/dbraw/zinc/55/97/47/575559747.db2.gz DXHPQZPCHRWEPL-UHFFFAOYSA-N 1 1 313.445 3.247 20 10 DGCDMO CCC[N@@H+](Cc1cc(C)c(C(=O)OC)o1)Cc1ccccc1O ZINC000750874707 575756981 /nfs/dbraw/zinc/75/69/81/575756981.db2.gz IAOZYMFIMDTVRM-UHFFFAOYSA-N 1 1 317.385 3.492 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)CCOc2ccc(F)cc2)cc1 ZINC000726981475 576091366 /nfs/dbraw/zinc/09/13/66/576091366.db2.gz TURASJAAMDKWNO-UHFFFAOYSA-N 1 1 302.393 3.403 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000916836790 620647081 /nfs/dbraw/zinc/64/70/81/620647081.db2.gz MXPIPXZXFYKRBF-OAHLLOKOSA-N 1 1 316.367 3.296 20 10 DGCDMO Cc1cc(C[N@@H+](C)CCn2cccn2)c(O)c(C(C)(C)C)c1 ZINC000111169444 620678589 /nfs/dbraw/zinc/67/85/89/620678589.db2.gz WXRNYENTRUVINH-UHFFFAOYSA-N 1 1 301.434 3.327 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C)O1 ZINC000111168334 620678895 /nfs/dbraw/zinc/67/88/95/620678895.db2.gz PXPXULYQJGJVKB-SWLSCSKDSA-N 1 1 307.434 3.395 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)ccc1[O-] ZINC000853240022 620680869 /nfs/dbraw/zinc/68/08/69/620680869.db2.gz LOZBBPQQJBDKKR-ZFWWWQNUSA-N 1 1 306.425 3.304 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(F)ccc1[O-] ZINC000853240022 620680870 /nfs/dbraw/zinc/68/08/70/620680870.db2.gz LOZBBPQQJBDKKR-ZFWWWQNUSA-N 1 1 306.425 3.304 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)CCOc2ccccc2)c1 ZINC000154735837 620708828 /nfs/dbraw/zinc/70/88/28/620708828.db2.gz QNWJDGPPTFUJNZ-UHFFFAOYSA-N 1 1 301.386 3.302 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](C3CCCCC3)C1)[C@H](O)CO2 ZINC000853553351 620709749 /nfs/dbraw/zinc/70/97/49/620709749.db2.gz DNUDELYALYGMKL-RDTXWAMCSA-N 1 1 317.429 3.220 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)CC3=CCCOC3)c2c1 ZINC000853561443 620709792 /nfs/dbraw/zinc/70/97/92/620709792.db2.gz CZQCHDVRRAINQS-UHFFFAOYSA-N 1 1 313.397 3.333 20 10 DGCDMO COc1cc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c(O)c(C(C)(C)C)c1 ZINC000853566319 620710162 /nfs/dbraw/zinc/71/01/62/620710162.db2.gz NXMCCOMSQLQGPH-KUHUBIRLSA-N 1 1 319.445 3.167 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](CC(F)(F)F)C2)c1 ZINC000853610581 620715495 /nfs/dbraw/zinc/71/54/95/620715495.db2.gz FDWOMMBQOVVFEH-CYBMUJFWSA-N 1 1 303.324 3.162 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@H](CC(F)(F)F)C2)c1 ZINC000853610581 620715499 /nfs/dbraw/zinc/71/54/99/620715499.db2.gz FDWOMMBQOVVFEH-CYBMUJFWSA-N 1 1 303.324 3.162 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000853623123 620716577 /nfs/dbraw/zinc/71/65/77/620716577.db2.gz DXZLSMAODBURPT-KDURUIRLSA-N 1 1 301.430 3.402 20 10 DGCDMO CCC[N@@H+](CC(=O)OCC)Cc1c(O)ccc2ccccc21 ZINC000918755349 620723793 /nfs/dbraw/zinc/72/37/93/620723793.db2.gz MXZQBFGJSAWGCB-UHFFFAOYSA-N 1 1 301.386 3.321 20 10 DGCDMO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccon2)c1O ZINC000779028147 617770343 /nfs/dbraw/zinc/77/03/43/617770343.db2.gz ZGXFTMBJWDVSSM-VIFPVBQESA-N 1 1 311.179 3.302 20 10 DGCDMO CC[N@@H+](Cc1cn(C)nc1C1CC1)Cc1ccc(N(C)C)cc1 ZINC000891437239 617798841 /nfs/dbraw/zinc/79/88/41/617798841.db2.gz UOXQRWNJXIYUHF-UHFFFAOYSA-N 1 1 312.461 3.386 20 10 DGCDMO COc1ccc(C[N@H+]2CCc3sccc3C2)c(O)c1OC ZINC000891553732 617834068 /nfs/dbraw/zinc/83/40/68/617834068.db2.gz YDPLZIFECQQJSE-UHFFFAOYSA-N 1 1 305.399 3.029 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2cccc(C)c2)c(O)c1OC ZINC000891600853 617848016 /nfs/dbraw/zinc/84/80/16/617848016.db2.gz CLDOVFOERFOHPF-UHFFFAOYSA-N 1 1 301.386 3.350 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891853214 617912368 /nfs/dbraw/zinc/91/23/68/617912368.db2.gz FINDXPBEQZXSAE-HZPDHXFCSA-N 1 1 323.408 3.238 20 10 DGCDMO CC[N@@H+](CCC(F)(F)F)Cc1ccc(OC)c(OC)c1O ZINC000891860877 617913982 /nfs/dbraw/zinc/91/39/82/617913982.db2.gz DENASOIMEPDSJQ-UHFFFAOYSA-N 1 1 307.312 3.184 20 10 DGCDMO Cc1cc(O)c(C[NH2+][C@@H](C)c2nnc3ccccn32)c(Cl)c1 ZINC000840871404 618044321 /nfs/dbraw/zinc/04/43/21/618044321.db2.gz DZZINOOFJFQRSW-NSHDSACASA-N 1 1 316.792 3.248 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000840881663 618107400 /nfs/dbraw/zinc/10/74/00/618107400.db2.gz PHIJIAKMYLBVJQ-SUMWQHHRSA-N 1 1 321.367 3.487 20 10 DGCDMO CC(C)c1nnc(C[NH2+]Cc2ccc3c(c2)CCCN3C)s1 ZINC000892732107 618150953 /nfs/dbraw/zinc/15/09/53/618150953.db2.gz FVQOKLDRIIQRJY-UHFFFAOYSA-N 1 1 316.474 3.334 20 10 DGCDMO Oc1cccc2c1[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)CC2 ZINC000854221942 620785785 /nfs/dbraw/zinc/78/57/85/620785785.db2.gz CCWNHRSHSBVMRG-KZNAEPCWSA-N 1 1 308.425 3.115 20 10 DGCDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000920258065 620792851 /nfs/dbraw/zinc/79/28/51/620792851.db2.gz GLCBVKLWUHFVEL-JQHSSLGASA-N 1 1 316.445 3.059 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000894438720 618333349 /nfs/dbraw/zinc/33/33/49/618333349.db2.gz TWMLBDXVCKYSOZ-CYBMUJFWSA-N 1 1 304.340 3.130 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000894438720 618333358 /nfs/dbraw/zinc/33/33/58/618333358.db2.gz TWMLBDXVCKYSOZ-CYBMUJFWSA-N 1 1 304.340 3.130 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c1O ZINC000894748838 618443284 /nfs/dbraw/zinc/44/32/84/618443284.db2.gz XPNBCCMUQLZRHT-GOEBONIOSA-N 1 1 307.434 3.225 20 10 DGCDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894781296 618456004 /nfs/dbraw/zinc/45/60/04/618456004.db2.gz FWIGUNZCQVZKLU-CQSZACIVSA-N 1 1 307.344 3.347 20 10 DGCDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894781296 618456009 /nfs/dbraw/zinc/45/60/09/618456009.db2.gz FWIGUNZCQVZKLU-CQSZACIVSA-N 1 1 307.344 3.347 20 10 DGCDMO COc1ccc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c(O)c1OC ZINC000893497353 618573951 /nfs/dbraw/zinc/57/39/51/618573951.db2.gz ISSMPSIUICIPKO-NWANDNLSSA-N 1 1 305.418 3.420 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000895280741 618586240 /nfs/dbraw/zinc/58/62/40/618586240.db2.gz ZSWVOFIGTMJENT-MLGOLLRUSA-N 1 1 311.372 3.452 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000895280741 618586244 /nfs/dbraw/zinc/58/62/44/618586244.db2.gz ZSWVOFIGTMJENT-MLGOLLRUSA-N 1 1 311.372 3.452 20 10 DGCDMO COc1ccc(C[N@@H+](C)C[C@@H](C)c2nccs2)c(O)c1OC ZINC000893536582 618588272 /nfs/dbraw/zinc/58/82/72/618588272.db2.gz WLYMUFSCVANAEA-LLVKDONJSA-N 1 1 322.430 3.101 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](c3nccs3)C2)c1O ZINC000895585081 618802775 /nfs/dbraw/zinc/80/27/75/618802775.db2.gz VPJSPBVHJSYJHC-CYBMUJFWSA-N 1 1 304.415 3.237 20 10 DGCDMO COc1cccc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)c1O ZINC000895655754 618812692 /nfs/dbraw/zinc/81/26/92/618812692.db2.gz KQCKAPVFVVQZKQ-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO COc1cccc(C[N@H+]2CCc3cc(F)c(F)cc3C2)c1O ZINC000895655754 618812693 /nfs/dbraw/zinc/81/26/93/618812693.db2.gz KQCKAPVFVVQZKQ-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO COc1ccc(C[NH2+][C@@H](CF)c2ccc(F)cc2)c(O)c1OC ZINC000895854787 618842547 /nfs/dbraw/zinc/84/25/47/618842547.db2.gz XEWSZZPHJVFPFM-AWEZNQCLSA-N 1 1 323.339 3.349 20 10 DGCDMO COC1(OC)CC2(C[N@@H+](Cc3ccc(C)cc3O)[C@@H]2C(C)C)C1 ZINC000895987292 618857730 /nfs/dbraw/zinc/85/77/30/618857730.db2.gz CFKIMGKUAGJWTC-QGZVFWFLSA-N 1 1 319.445 3.310 20 10 DGCDMO COc1cc(C)cc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c1O ZINC000896424028 618911595 /nfs/dbraw/zinc/91/15/95/618911595.db2.gz MQNWQWHLBVMFBD-YOEHRIQHSA-N 1 1 317.360 3.271 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@@H](Cc3nc(C)cs3)C2)c1O ZINC000897299095 619048716 /nfs/dbraw/zinc/04/87/16/619048716.db2.gz UMADWIKNYHSJTQ-ZDUSSCGKSA-N 1 1 318.442 3.230 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@@H]1O ZINC000897679200 619172699 /nfs/dbraw/zinc/17/26/99/619172699.db2.gz IOGSWLONCUSLQQ-KSSFIOAISA-N 1 1 316.470 3.197 20 10 DGCDMO COc1ccc(CNc2ccc(C3CC3)c[nH+]2)c(O)c1OC ZINC000897715192 619175881 /nfs/dbraw/zinc/17/58/81/619175881.db2.gz JSDQLSFLVVDFJY-UHFFFAOYSA-N 1 1 300.358 3.294 20 10 DGCDMO COc1c(O)c(C[NH2+][C@H]2CCCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000897772256 619178813 /nfs/dbraw/zinc/17/88/13/619178813.db2.gz PSPXRRMAWYLEDN-LBPRGKRZSA-N 1 1 306.362 3.121 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CCCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000897772255 619178901 /nfs/dbraw/zinc/17/89/01/619178901.db2.gz PSPXRRMAWYLEDN-GFCCVEGCSA-N 1 1 306.362 3.121 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)cc1F ZINC000898070826 619212325 /nfs/dbraw/zinc/21/23/25/619212325.db2.gz ADLYSLSKUAMMLT-AWEZNQCLSA-N 1 1 319.449 3.413 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(C(F)F)cc2)cc1 ZINC000841040921 619242097 /nfs/dbraw/zinc/24/20/97/619242097.db2.gz CQBRJWMFUJOVFT-KRWDZBQOSA-N 1 1 319.399 3.480 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000898516055 619283126 /nfs/dbraw/zinc/28/31/26/619283126.db2.gz KRQPILBXSQNBIR-HZPDHXFCSA-N 1 1 319.445 3.430 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000898516594 619283427 /nfs/dbraw/zinc/28/34/27/619283427.db2.gz VDRJHUHEZXTJEP-GJZGRUSLSA-N 1 1 305.418 3.039 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(F)cc1O ZINC000902433322 619635285 /nfs/dbraw/zinc/63/52/85/619635285.db2.gz JGXNXFRGSTYCEN-LZLYRXPVSA-N 1 1 300.377 3.197 20 10 DGCDMO CC[C@H]([NH2+]Cc1nc(CN(C)C)cs1)c1ccc(F)cc1O ZINC000903221369 619741426 /nfs/dbraw/zinc/74/14/26/619741426.db2.gz WAGBJOFBUVSSAC-AWEZNQCLSA-N 1 1 323.437 3.290 20 10 DGCDMO C[C@H]([NH2+][C@@H](CO)CCc1ccccc1)c1c(O)cccc1F ZINC000903292676 619751950 /nfs/dbraw/zinc/75/19/50/619751950.db2.gz KCSZSICFMCAQDJ-DZGCQCFKSA-N 1 1 303.377 3.176 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cscn1 ZINC000903447834 619778117 /nfs/dbraw/zinc/77/81/17/619778117.db2.gz CWYJLXUHWLVXBY-GUYCJALGSA-N 1 1 318.490 3.163 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](C3OCCO3)C2)cc1C(C)C ZINC000905695329 620020724 /nfs/dbraw/zinc/02/07/24/620020724.db2.gz NQHOPWUUROQYFM-AWEZNQCLSA-N 1 1 305.418 3.019 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](C3OCCO3)C2)cc1C(C)C ZINC000905695331 620020761 /nfs/dbraw/zinc/02/07/61/620020761.db2.gz NQHOPWUUROQYFM-CQSZACIVSA-N 1 1 305.418 3.019 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2COC(C)(C)C)c1O ZINC000905725423 620022422 /nfs/dbraw/zinc/02/24/22/620022422.db2.gz SRWAYZHSYWTTOD-OAHLLOKOSA-N 1 1 307.434 3.489 20 10 DGCDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)[nH]1 ZINC000922053345 620984239 /nfs/dbraw/zinc/98/42/39/620984239.db2.gz GJXNAAJGBVLXCE-QWHCGFSZSA-N 1 1 314.433 3.494 20 10 DGCDMO C[C@]1([NH2+]Cc2cc(F)cc(F)c2O)CCOc2ccccc21 ZINC000923023758 621148432 /nfs/dbraw/zinc/14/84/32/621148432.db2.gz CNMUFGFMPUJLOW-KRWDZBQOSA-N 1 1 305.324 3.458 20 10 DGCDMO CN(C)c1cc(F)c(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1F ZINC000858146665 621158046 /nfs/dbraw/zinc/15/80/46/621158046.db2.gz KQUTZLJNGRBIBW-GOOCMWNKSA-N 1 1 323.431 3.136 20 10 DGCDMO CCc1noc(C)c1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858168631 621161195 /nfs/dbraw/zinc/16/11/95/621161195.db2.gz 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C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](C)C1(F)F ZINC000862442580 621590665 /nfs/dbraw/zinc/59/06/65/621590665.db2.gz IRZQSBBJVOYZEL-GASCZTMLSA-N 1 1 324.415 3.246 20 10 DGCDMO [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862481990 621593523 /nfs/dbraw/zinc/59/35/23/621593523.db2.gz CEUPJDYLUQKDOU-SFHVURJKSA-N 1 1 301.361 3.015 20 10 DGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862481990 621593527 /nfs/dbraw/zinc/59/35/27/621593527.db2.gz CEUPJDYLUQKDOU-SFHVURJKSA-N 1 1 301.361 3.015 20 10 DGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862481990 621593531 /nfs/dbraw/zinc/59/35/31/621593531.db2.gz CEUPJDYLUQKDOU-SFHVURJKSA-N 1 1 301.361 3.015 20 10 DGCDMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000755929380 621604470 /nfs/dbraw/zinc/60/44/70/621604470.db2.gz BWJQXEGPDUABIE-IBGZPJMESA-N 1 1 311.381 3.285 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1O ZINC000756344178 621629638 /nfs/dbraw/zinc/62/96/38/621629638.db2.gz 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ZINC000863299261 621661579 /nfs/dbraw/zinc/66/15/79/621661579.db2.gz ZAQARKZBPAURBA-UHFFFAOYSA-N 1 1 315.413 3.486 20 10 DGCDMO Cc1cc(C[C@H](C)[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)n[nH]1 ZINC000756764330 621662825 /nfs/dbraw/zinc/66/28/25/621662825.db2.gz GGSHYFICUVYOAF-BFVZDQMLSA-N 1 1 303.381 3.332 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Br)c(F)cc1O ZINC000756820570 621666741 /nfs/dbraw/zinc/66/67/41/621666741.db2.gz YHHUJONALKALBM-SFYZADRCSA-N 1 1 320.202 3.104 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000756887134 621670250 /nfs/dbraw/zinc/67/02/50/621670250.db2.gz MWMNGURSNYHQMX-XJKSGUPXSA-N 1 1 319.445 3.396 20 10 DGCDMO C[C@H]([NH2+]Cc1nc(N)c2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000839563184 621697048 /nfs/dbraw/zinc/69/70/48/621697048.db2.gz HSDJDFZPCIQWPL-ZDUSSCGKSA-N 1 1 321.428 3.129 20 10 DGCDMO C[NH+](C)Cc1ccc(NCc2ccc(F)c(F)c2O)c(F)c1 ZINC000864040273 621730438 /nfs/dbraw/zinc/73/04/38/621730438.db2.gz JIXGCLQZZOVZKY-UHFFFAOYSA-N 1 1 310.319 3.483 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCCS2)c1 ZINC000757659775 621731988 /nfs/dbraw/zinc/73/19/88/621731988.db2.gz ZJGGVUCOAFGFFP-YPMHNXCESA-N 1 1 309.431 3.115 20 10 DGCDMO CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000757675081 621732944 /nfs/dbraw/zinc/73/29/44/621732944.db2.gz ZORGPCDFOIIVGR-ZDUSSCGKSA-N 1 1 314.857 3.055 20 10 DGCDMO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cc(OCC)ccc1O ZINC000758028835 621754341 /nfs/dbraw/zinc/75/43/41/621754341.db2.gz GRIGHOOWSBXGDE-UHFFFAOYSA-N 1 1 323.433 3.345 20 10 DGCDMO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(OCC)ccc1O ZINC000758028835 621754343 /nfs/dbraw/zinc/75/43/43/621754343.db2.gz GRIGHOOWSBXGDE-UHFFFAOYSA-N 1 1 323.433 3.345 20 10 DGCDMO CN(C)c1ccc(CN(CC[C@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000759846395 621895710 /nfs/dbraw/zinc/89/57/10/621895710.db2.gz UCUMPRZESRGLQU-GOSISDBHSA-N 1 1 301.478 3.201 20 10 DGCDMO CN(C)c1ccc(CN(CC[C@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000759846395 621895712 /nfs/dbraw/zinc/89/57/12/621895712.db2.gz UCUMPRZESRGLQU-GOSISDBHSA-N 1 1 301.478 3.201 20 10 DGCDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000789587533 625530249 /nfs/dbraw/zinc/53/02/49/625530249.db2.gz YOYKHIJIIGMRQA-IKGGRYGDSA-N 1 1 302.462 3.390 20 10 DGCDMO Oc1c(Br)cccc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000865753693 621988661 /nfs/dbraw/zinc/98/86/61/621988661.db2.gz PKYXYKYHLXRPOB-VXNVDRBHSA-N 1 1 310.113 3.195 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2cccc(O)c2)c1O ZINC000761185786 621992774 /nfs/dbraw/zinc/99/27/74/621992774.db2.gz XFBFYMWBFSSJRS-UHFFFAOYSA-N 1 1 307.777 3.392 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1O ZINC000761203202 621993633 /nfs/dbraw/zinc/99/36/33/621993633.db2.gz KWYNMPPILHLFIQ-SMDDNHRTSA-N 1 1 311.809 3.055 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCCS2)c1 ZINC000866481746 622125238 /nfs/dbraw/zinc/12/52/38/622125238.db2.gz VRJZTGYQKAGQTK-WCQYABFASA-N 1 1 309.431 3.115 20 10 DGCDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000763646846 622156563 /nfs/dbraw/zinc/15/65/63/622156563.db2.gz KUJQYLRPJYZVEN-OAHLLOKOSA-N 1 1 318.436 3.427 20 10 DGCDMO Oc1ccccc1C[N@H+](C[C@H](O)C(F)(F)F)C1CCCC1 ZINC000763834286 622164344 /nfs/dbraw/zinc/16/43/44/622164344.db2.gz LBNRBBXAJDHYLS-AWEZNQCLSA-N 1 1 303.324 3.060 20 10 DGCDMO C[C@@H](NCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764949798 622235116 /nfs/dbraw/zinc/23/51/16/622235116.db2.gz NCRPNDZVCFRONX-BRWVUGGUSA-N 1 1 303.494 3.381 20 10 DGCDMO CC[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000764967360 622236568 /nfs/dbraw/zinc/23/65/68/622236568.db2.gz UFAAJAPZCXMRRW-FHWLQOOXSA-N 1 1 301.478 3.420 20 10 DGCDMO CC[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000764967360 622236571 /nfs/dbraw/zinc/23/65/71/622236571.db2.gz UFAAJAPZCXMRRW-FHWLQOOXSA-N 1 1 301.478 3.420 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)CCCCCO)c1 ZINC000789763662 625564180 /nfs/dbraw/zinc/56/41/80/625564180.db2.gz OUCPTFPPGGMDAW-UHFFFAOYSA-N 1 1 316.239 3.058 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)CCCCCO)c1 ZINC000789763662 625564189 /nfs/dbraw/zinc/56/41/89/625564189.db2.gz OUCPTFPPGGMDAW-UHFFFAOYSA-N 1 1 316.239 3.058 20 10 DGCDMO CN(C)c1ccc(C[N@H+](C)Cc2cn3cccc(F)c3n2)cc1 ZINC000768129013 622440259 /nfs/dbraw/zinc/44/02/59/622440259.db2.gz CTZSKLOKWDAZGP-UHFFFAOYSA-N 1 1 312.392 3.171 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cn3cccc(F)c3n2)cc1 ZINC000768129013 622440260 /nfs/dbraw/zinc/44/02/60/622440260.db2.gz CTZSKLOKWDAZGP-UHFFFAOYSA-N 1 1 312.392 3.171 20 10 DGCDMO CC[N@H+](Cc1cc(C)ccc1O)C[C@H]1COc2ccccc2O1 ZINC000768180583 622443481 /nfs/dbraw/zinc/44/34/81/622443481.db2.gz LVYKULFXWNWNER-INIZCTEOSA-N 1 1 313.397 3.363 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC(F)(F)F)c1 ZINC000768270424 622448194 /nfs/dbraw/zinc/44/81/94/622448194.db2.gz AIGQPTHREQAEIN-IUCAKERBSA-N 1 1 305.296 3.170 20 10 DGCDMO CC1CCC([N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C2CC2)CC1 ZINC000768440466 622456031 /nfs/dbraw/zinc/45/60/31/622456031.db2.gz WMRNOYDZMWRCCB-WFZFXDGQSA-N 1 1 317.429 3.361 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]2CCCC[C@H]12 ZINC000768439147 622456105 /nfs/dbraw/zinc/45/61/05/622456105.db2.gz ILEWYCVLSXVEGR-BQUDOFGOSA-N 1 1 317.429 3.219 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2cccnc2)cc1OC ZINC000768441541 622456441 /nfs/dbraw/zinc/45/64/41/622456441.db2.gz JKWHIROKAUQZAI-HNNXBMFYSA-N 1 1 314.385 3.142 20 10 DGCDMO CC(C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768449280 622457021 /nfs/dbraw/zinc/45/70/21/622457021.db2.gz ZABGVBPIQVSICB-GUYCJALGSA-N 1 1 305.418 3.076 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+](CC1CC1)C1CCCCC1)[C@@H](O)CO2 ZINC000768448558 622457037 /nfs/dbraw/zinc/45/70/37/622457037.db2.gz CVNSNVUDMHBIJF-SFHVURJKSA-N 1 1 317.429 3.363 20 10 DGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)c(C)cc2O)C1(C)C ZINC000768445644 622457046 /nfs/dbraw/zinc/45/70/46/622457046.db2.gz HXFALVAPFCUJGB-IAGOWNOFSA-N 1 1 307.434 3.345 20 10 DGCDMO COC(=O)[C@@H](C)C[N@@H+](Cc1cc2c(cc1O)CCCC2)C1CC1 ZINC000768451287 622457533 /nfs/dbraw/zinc/45/75/33/622457533.db2.gz MIYZCPRBSDCXNL-ZDUSSCGKSA-N 1 1 317.429 3.045 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)c(O)cc1C ZINC000768462957 622458288 /nfs/dbraw/zinc/45/82/88/622458288.db2.gz DEFVPYFZCKZRPP-MRXNPFEDSA-N 1 1 315.417 3.088 20 10 DGCDMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@@H]1CCCOC1 ZINC000768542184 622463551 /nfs/dbraw/zinc/46/35/51/622463551.db2.gz OHHMBKMNSDTTGB-HNNXBMFYSA-N 1 1 301.386 3.414 20 10 DGCDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(N(C)C)c(F)c1 ZINC000769033285 622494013 /nfs/dbraw/zinc/49/40/13/622494013.db2.gz JXZPIUIADILKGV-UHFFFAOYSA-N 1 1 301.409 3.351 20 10 DGCDMO CCOc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)c(O)c1 ZINC000769207961 622507887 /nfs/dbraw/zinc/50/78/87/622507887.db2.gz GLLAEWHDXHFLLC-UHFFFAOYSA-N 1 1 318.461 3.241 20 10 DGCDMO CC(C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769403790 622525344 /nfs/dbraw/zinc/52/53/44/622525344.db2.gz WRLRICOHYXRHPI-GOSISDBHSA-N 1 1 302.462 3.391 20 10 DGCDMO COc1cccc(O)c1C[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000769514406 622536868 /nfs/dbraw/zinc/53/68/68/622536868.db2.gz LYDOOKOLZRLEST-YVEFUNNKSA-N 1 1 319.426 3.424 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000769514406 622536869 /nfs/dbraw/zinc/53/68/69/622536869.db2.gz LYDOOKOLZRLEST-YVEFUNNKSA-N 1 1 319.426 3.424 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)cc1F ZINC000770292660 622618975 /nfs/dbraw/zinc/61/89/75/622618975.db2.gz NWZRPDGJWHXJIU-CRAIPNDOSA-N 1 1 308.441 3.265 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000770377267 622627189 /nfs/dbraw/zinc/62/71/89/622627189.db2.gz ZDOVDLWKJIYLQG-GJZGRUSLSA-N 1 1 305.418 3.039 20 10 DGCDMO CCN(CCC[N@@H+](C)Cc1ccccc1O)CC(F)(F)F ZINC000771762977 622794441 /nfs/dbraw/zinc/79/44/41/622794441.db2.gz RGHRGFBAEBJYLQ-UHFFFAOYSA-N 1 1 304.356 3.098 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCCCCC[NH3+])c1[O-] ZINC000872154760 622835706 /nfs/dbraw/zinc/83/57/06/622835706.db2.gz AEJYDYIQKOWYKU-UHFFFAOYSA-N 1 1 312.841 3.199 20 10 DGCDMO Cc1cc(O)c(CN2CCC(C)([NH+]3CCCC3)CC2)cc1C ZINC000872644860 622947514 /nfs/dbraw/zinc/94/75/14/622947514.db2.gz LIQMGALMIPIARG-UHFFFAOYSA-N 1 1 302.462 3.459 20 10 DGCDMO CCCOc1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)cc1C ZINC000873010087 623016772 /nfs/dbraw/zinc/01/67/72/623016772.db2.gz ABHGHHSUAMUFBV-SFHVURJKSA-N 1 1 312.413 3.100 20 10 DGCDMO CCCOc1ccc(C[NH2+][C@H](C)c2nnc(CC)[nH]2)cc1C ZINC000873097222 623036328 /nfs/dbraw/zinc/03/63/28/623036328.db2.gz KJORQRMTRGDYAR-CYBMUJFWSA-N 1 1 302.422 3.315 20 10 DGCDMO CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1C ZINC000873135535 623045867 /nfs/dbraw/zinc/04/58/67/623045867.db2.gz YKJBRCQSFHVJQH-UKRRQHHQSA-N 1 1 300.406 3.171 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000773757967 623068921 /nfs/dbraw/zinc/06/89/21/623068921.db2.gz SPOUCSZEJCBGNZ-LSDHHAIUSA-N 1 1 316.367 3.030 20 10 DGCDMO CC[S@](=O)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774181035 623116944 /nfs/dbraw/zinc/11/69/44/623116944.db2.gz DPCBIJGKXHQPQR-ASCAZGACSA-N 1 1 310.246 3.118 20 10 DGCDMO COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774254830 623124933 /nfs/dbraw/zinc/12/49/33/623124933.db2.gz RDVSQGHNURNERI-ZJUUUORDSA-N 1 1 322.232 3.401 20 10 DGCDMO C[C@H]([NH2+]CCCn1cncn1)c1cc(Cl)c(Cl)cc1O ZINC000774300270 623128773 /nfs/dbraw/zinc/12/87/73/623128773.db2.gz ZHOYWOFQJMPYPR-VIFPVBQESA-N 1 1 315.204 3.031 20 10 DGCDMO CO[C@@]1(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CCOC1 ZINC000774359430 623136383 /nfs/dbraw/zinc/13/63/83/623136383.db2.gz PLQGXMBIXLBHHL-YMTOWFKASA-N 1 1 320.216 3.155 20 10 DGCDMO COc1c([O-])c(C[N@@H+](C2CC2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000774836786 623197325 /nfs/dbraw/zinc/19/73/25/623197325.db2.gz VUIQNRPPKPRAED-UHFFFAOYSA-N 1 1 306.362 3.216 20 10 DGCDMO COc1c(O)c(C[N@H+](C2CC2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000774836786 623197326 /nfs/dbraw/zinc/19/73/26/623197326.db2.gz VUIQNRPPKPRAED-UHFFFAOYSA-N 1 1 306.362 3.216 20 10 DGCDMO COc1c(O)c(C[N@@H+](C2CC2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000774836786 623197329 /nfs/dbraw/zinc/19/73/29/623197329.db2.gz VUIQNRPPKPRAED-UHFFFAOYSA-N 1 1 306.362 3.216 20 10 DGCDMO COc1c(O)c(C[N@H+](C)CC2CCCCC2)ccc1[N+](=O)[O-] ZINC000774827064 623197527 /nfs/dbraw/zinc/19/75/27/623197527.db2.gz NFWDYEDQLKFILL-UHFFFAOYSA-N 1 1 308.378 3.321 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)CC2CCCCC2)ccc1[N+](=O)[O-] ZINC000774827064 623197530 /nfs/dbraw/zinc/19/75/30/623197530.db2.gz NFWDYEDQLKFILL-UHFFFAOYSA-N 1 1 308.378 3.321 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCC[C@H]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000774854622 623200409 /nfs/dbraw/zinc/20/04/09/623200409.db2.gz YKHCRQDSZKTVPJ-AWEZNQCLSA-N 1 1 320.389 3.464 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCC[C@H]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000774854622 623200415 /nfs/dbraw/zinc/20/04/15/623200415.db2.gz YKHCRQDSZKTVPJ-AWEZNQCLSA-N 1 1 320.389 3.464 20 10 DGCDMO COc1c(O)c(C[NH+]2C3CCCC2CCC3)ccc1[N+](=O)[O-] ZINC000774909377 623207793 /nfs/dbraw/zinc/20/77/93/623207793.db2.gz PRDPSSDYKHLCMO-UHFFFAOYSA-N 1 1 306.362 3.216 20 10 DGCDMO COc1c(O)c(C[NH2+]Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000774941627 623210253 /nfs/dbraw/zinc/21/02/53/623210253.db2.gz BLUVDHJMNWCTRP-UHFFFAOYSA-N 1 1 322.748 3.252 20 10 DGCDMO COc1c(O)c(C[NH2+]Cc2ccc(F)c(C)c2)ccc1[N+](=O)[O-] ZINC000774963718 623211899 /nfs/dbraw/zinc/21/18/99/623211899.db2.gz FKTDLTUNFHYQBX-UHFFFAOYSA-N 1 1 320.320 3.046 20 10 DGCDMO COc1c(O)c(C[NH2+]CC2(CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000775032377 623218937 /nfs/dbraw/zinc/21/89/37/623218937.db2.gz HMSWDCUMJKBFOO-UHFFFAOYSA-N 1 1 308.378 3.225 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000775054248 623221884 /nfs/dbraw/zinc/22/18/84/623221884.db2.gz MFYKUKOWERIZNS-SJCJKPOMSA-N 1 1 320.389 3.321 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000775054248 623221888 /nfs/dbraw/zinc/22/18/88/623221888.db2.gz MFYKUKOWERIZNS-SJCJKPOMSA-N 1 1 320.389 3.321 20 10 DGCDMO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775063295 623224238 /nfs/dbraw/zinc/22/42/38/623224238.db2.gz PMSANFAREZVVSX-SECBINFHSA-N 1 1 322.283 3.130 20 10 DGCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000775178231 623238400 /nfs/dbraw/zinc/23/84/00/623238400.db2.gz SLCFGXQOODFFHU-INIZCTEOSA-N 1 1 313.825 3.181 20 10 DGCDMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1cc(F)ccc1O ZINC000775185796 623239472 /nfs/dbraw/zinc/23/94/72/623239472.db2.gz WKJURRGHRZSJGB-KRWDZBQOSA-N 1 1 309.381 3.229 20 10 DGCDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000775199735 623240883 /nfs/dbraw/zinc/24/08/83/623240883.db2.gz GCBZIPHJYUCAAO-GOSISDBHSA-N 1 1 305.418 3.112 20 10 DGCDMO Cn1c[nH+]c2cc(NCc3ccc4c(c3)CCC(=O)N4C)ccc21 ZINC000775314816 623252398 /nfs/dbraw/zinc/25/23/98/623252398.db2.gz SNECUNNDJGJVKA-UHFFFAOYSA-N 1 1 320.396 3.094 20 10 DGCDMO CCC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)CC(C)C ZINC000775653478 623304474 /nfs/dbraw/zinc/30/44/74/623304474.db2.gz ICORADILXSDZOX-UHFFFAOYSA-N 1 1 303.494 3.306 20 10 DGCDMO CCC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)CC(C)C ZINC000775653478 623304479 /nfs/dbraw/zinc/30/44/79/623304479.db2.gz ICORADILXSDZOX-UHFFFAOYSA-N 1 1 303.494 3.306 20 10 DGCDMO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775708870 623317299 /nfs/dbraw/zinc/31/72/99/623317299.db2.gz PIJJXCCBOLAPTF-AEFFLSMTSA-N 1 1 301.478 3.059 20 10 DGCDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775708870 623317306 /nfs/dbraw/zinc/31/73/06/623317306.db2.gz PIJJXCCBOLAPTF-AEFFLSMTSA-N 1 1 301.478 3.059 20 10 DGCDMO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000775723644 623319733 /nfs/dbraw/zinc/31/97/33/623319733.db2.gz CQZOVLXDWODVHX-GFCCVEGCSA-N 1 1 314.832 3.348 20 10 DGCDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000775723644 623319735 /nfs/dbraw/zinc/31/97/35/623319735.db2.gz CQZOVLXDWODVHX-GFCCVEGCSA-N 1 1 314.832 3.348 20 10 DGCDMO C[C@H]1[C@H](C)[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCN1C ZINC000775986218 623361428 /nfs/dbraw/zinc/36/14/28/623361428.db2.gz PYYNKKTYMBBSCS-IRXDYDNUSA-N 1 1 301.478 3.201 20 10 DGCDMO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000775986218 623361431 /nfs/dbraw/zinc/36/14/31/623361431.db2.gz PYYNKKTYMBBSCS-IRXDYDNUSA-N 1 1 301.478 3.201 20 10 DGCDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000775986218 623361434 /nfs/dbraw/zinc/36/14/34/623361434.db2.gz PYYNKKTYMBBSCS-IRXDYDNUSA-N 1 1 301.478 3.201 20 10 DGCDMO C[C@@H](c1ccccc1)[N@H+](Cc1cn(C)nn1)Cc1ccccc1O ZINC000776008386 623363759 /nfs/dbraw/zinc/36/37/59/623363759.db2.gz GWLYKTQURXLLTE-HNNXBMFYSA-N 1 1 322.412 3.284 20 10 DGCDMO C[C@@H](c1ccccc1)[N@@H+](Cc1cn(C)nn1)Cc1ccccc1O ZINC000776008386 623363762 /nfs/dbraw/zinc/36/37/62/623363762.db2.gz GWLYKTQURXLLTE-HNNXBMFYSA-N 1 1 322.412 3.284 20 10 DGCDMO Cc1cc(C)c2c(c1)C[N@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000776774211 623461654 /nfs/dbraw/zinc/46/16/54/623461654.db2.gz HWAOPSSVMWTVBO-UHFFFAOYSA-N 1 1 311.381 3.296 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)c(O)c1 ZINC000777439504 623525513 /nfs/dbraw/zinc/52/55/13/623525513.db2.gz IYBBJJRKXGGHFF-KRWDZBQOSA-N 1 1 305.418 3.182 20 10 DGCDMO COc1cccc(C[N@H+]2CCc3cc(OC)c(F)cc3C2)c1O ZINC000777440698 623525754 /nfs/dbraw/zinc/52/57/54/623525754.db2.gz RIDVYJXRVFAUAS-UHFFFAOYSA-N 1 1 317.360 3.107 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000777557891 623541913 /nfs/dbraw/zinc/54/19/13/623541913.db2.gz OHPQRLIQLJRMMF-FQEVSTJZSA-N 1 1 322.408 3.105 20 10 DGCDMO COCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CC[C@H](C)C1 ZINC000790478762 625659806 /nfs/dbraw/zinc/65/98/06/625659806.db2.gz LTIURTFCUZYHMG-ZFWWWQNUSA-N 1 1 323.433 3.046 20 10 DGCDMO Cc1ccc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c(O)c1 ZINC000876512513 623631187 /nfs/dbraw/zinc/63/11/87/623631187.db2.gz QLKWRJYKJZRXEO-OAHLLOKOSA-N 1 1 322.412 3.474 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000876590749 623653349 /nfs/dbraw/zinc/65/33/49/623653349.db2.gz BHASQHDYPRSINU-UHFFFAOYSA-N 1 1 324.424 3.225 20 10 DGCDMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000876652317 623670271 /nfs/dbraw/zinc/67/02/71/623670271.db2.gz ARNRBHGBRPSUFL-CQSZACIVSA-N 1 1 320.433 3.047 20 10 DGCDMO CCC[N@@H+](Cc1cnc(CCOC)s1)Cc1ccccc1O ZINC000876654592 623671515 /nfs/dbraw/zinc/67/15/15/623671515.db2.gz KARITCYOPTUQRA-UHFFFAOYSA-N 1 1 320.458 3.450 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000876719870 623688816 /nfs/dbraw/zinc/68/88/16/623688816.db2.gz XOFSQNWOFZYAGA-OAHLLOKOSA-N 1 1 318.461 3.075 20 10 DGCDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876751361 623696828 /nfs/dbraw/zinc/69/68/28/623696828.db2.gz XIBOHUAWBJPTGH-HZPDHXFCSA-N 1 1 302.462 3.268 20 10 DGCDMO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c(O)c1 ZINC000876811577 623714218 /nfs/dbraw/zinc/71/42/18/623714218.db2.gz LIILZWLXWIVCGA-YJBOKZPZSA-N 1 1 300.446 3.149 20 10 DGCDMO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c(O)c1 ZINC000876811577 623714220 /nfs/dbraw/zinc/71/42/20/623714220.db2.gz LIILZWLXWIVCGA-YJBOKZPZSA-N 1 1 300.446 3.149 20 10 DGCDMO CN(Cc1cc(F)ccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778996707 623718480 /nfs/dbraw/zinc/71/84/80/623718480.db2.gz XSIZJXOWALBNIZ-GOSISDBHSA-N 1 1 314.404 3.238 20 10 DGCDMO C[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000778996707 623718485 /nfs/dbraw/zinc/71/84/85/623718485.db2.gz XSIZJXOWALBNIZ-GOSISDBHSA-N 1 1 314.404 3.238 20 10 DGCDMO C[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000778996707 623718490 /nfs/dbraw/zinc/71/84/90/623718490.db2.gz XSIZJXOWALBNIZ-GOSISDBHSA-N 1 1 314.404 3.238 20 10 DGCDMO CN(C)CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC000779171728 623738439 /nfs/dbraw/zinc/73/84/39/623738439.db2.gz MLHLTXJALNVXLH-UHFFFAOYSA-N 1 1 307.457 3.198 20 10 DGCDMO CN(C)c1ccc(CN(CC[NH+](C)C)C2CCCC2)cc1F ZINC000779171728 623738443 /nfs/dbraw/zinc/73/84/43/623738443.db2.gz MLHLTXJALNVXLH-UHFFFAOYSA-N 1 1 307.457 3.198 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1F ZINC000779188241 623739938 /nfs/dbraw/zinc/73/99/38/623739938.db2.gz IWPWAOLDDVNKGL-INIZCTEOSA-N 1 1 306.425 3.283 20 10 DGCDMO Cc1nc(C2([NH2+]Cc3ccc(C)cc3O)CCCCC2)no1 ZINC000877002054 623763795 /nfs/dbraw/zinc/76/37/95/623763795.db2.gz OJKOIXHFJOXQMZ-UHFFFAOYSA-N 1 1 301.390 3.341 20 10 DGCDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877173971 623817381 /nfs/dbraw/zinc/81/73/81/623817381.db2.gz NCFKMYYAZWTAAZ-HNNXBMFYSA-N 1 1 305.418 3.112 20 10 DGCDMO Cc1cccc(O)c1C[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000877513954 623918968 /nfs/dbraw/zinc/91/89/68/623918968.db2.gz DYKSSTOFKNQHMJ-UHFFFAOYSA-N 1 1 315.398 3.444 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000877513954 623918969 /nfs/dbraw/zinc/91/89/69/623918969.db2.gz DYKSSTOFKNQHMJ-UHFFFAOYSA-N 1 1 315.398 3.444 20 10 DGCDMO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(O)c1 ZINC000877561101 623941539 /nfs/dbraw/zinc/94/15/39/623941539.db2.gz HQHNCZYQKWJLJO-PKOBYXMFSA-N 1 1 315.388 3.001 20 10 DGCDMO CCOc1cccc(C[N@@H+](CCO)Cc2ccc(C)cc2O)c1 ZINC000877576927 623949684 /nfs/dbraw/zinc/94/96/84/623949684.db2.gz RIGLRJDDULXIOU-UHFFFAOYSA-N 1 1 315.413 3.094 20 10 DGCDMO Cc1cccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1O ZINC000877589937 623953395 /nfs/dbraw/zinc/95/33/95/623953395.db2.gz UEHMUSXCDJLBCH-FQEVSTJZSA-N 1 1 323.392 3.311 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1 ZINC000877597360 623956585 /nfs/dbraw/zinc/95/65/85/623956585.db2.gz IYIHMHSEQCBYAJ-HZPDHXFCSA-N 1 1 302.462 3.268 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645245 623976656 /nfs/dbraw/zinc/97/66/56/623976656.db2.gz FRZGYXDBXWMHPX-MRXNPFEDSA-N 1 1 318.804 3.232 20 10 DGCDMO C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000877683960 623991194 /nfs/dbraw/zinc/99/11/94/623991194.db2.gz DPEZSRDDXUUSJU-UHFFFAOYSA-N 1 1 308.853 3.353 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C[C@H](C)C(=O)OC)C2CC2)cc1 ZINC000780892792 623994194 /nfs/dbraw/zinc/99/41/94/623994194.db2.gz KDVSHGZZYSWKIU-HNNXBMFYSA-N 1 1 318.461 3.306 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000877711053 624000815 /nfs/dbraw/zinc/00/08/15/624000815.db2.gz VOSVWSACWJNJCJ-BZNIZROVSA-N 1 1 313.800 3.480 20 10 DGCDMO CC(C)[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000877750730 624018692 /nfs/dbraw/zinc/01/86/92/624018692.db2.gz KQNZZRICSSPWEN-LIXSYLKWSA-N 1 1 301.478 3.038 20 10 DGCDMO COc1ccc([C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)cc1 ZINC000877757240 624022731 /nfs/dbraw/zinc/02/27/31/624022731.db2.gz GQCWDNXVRGMVBP-SFHVURJKSA-N 1 1 317.360 3.113 20 10 DGCDMO COc1ccc([C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)cc1 ZINC000877757240 624022734 /nfs/dbraw/zinc/02/27/34/624022734.db2.gz GQCWDNXVRGMVBP-SFHVURJKSA-N 1 1 317.360 3.113 20 10 DGCDMO COc1cc(O)c(C[NH2+][C@@H](CF)c2ccc(F)cc2)cc1OC ZINC000877758465 624023921 /nfs/dbraw/zinc/02/39/21/624023921.db2.gz BYRKUOZDHYDAKL-AWEZNQCLSA-N 1 1 323.339 3.349 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)cc1 ZINC000877762843 624027114 /nfs/dbraw/zinc/02/71/14/624027114.db2.gz KZWDVSIIAWYPGB-IBGZPJMESA-N 1 1 322.456 3.132 20 10 DGCDMO COC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000877819965 624050214 /nfs/dbraw/zinc/05/02/14/624050214.db2.gz BUMSSHICAIZYNI-GFCCVEGCSA-N 1 1 311.809 3.211 20 10 DGCDMO Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c(O)c1 ZINC000877820321 624050983 /nfs/dbraw/zinc/05/09/83/624050983.db2.gz HDYSWXFOJDGFGE-FZMZJTMJSA-N 1 1 303.324 3.242 20 10 DGCDMO COC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000877819967 624051538 /nfs/dbraw/zinc/05/15/38/624051538.db2.gz BUMSSHICAIZYNI-LBPRGKRZSA-N 1 1 311.809 3.211 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000877823613 624056644 /nfs/dbraw/zinc/05/66/44/624056644.db2.gz XLPYIQITJYACPJ-FZMZJTMJSA-N 1 1 317.351 3.496 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H](C(C)(C)O)C2)c(O)c(C(C)(C)C)c1 ZINC000877836835 624065156 /nfs/dbraw/zinc/06/51/56/624065156.db2.gz MRFIFWZIAQYRLV-CQSZACIVSA-N 1 1 321.461 3.291 20 10 DGCDMO Cc1cc(Br)c([O-])c(C[N@@H+]2CCSC[C@@H]2C)c1 ZINC000781907897 624169557 /nfs/dbraw/zinc/16/95/57/624169557.db2.gz HEXBMYAEHSWMPK-JTQLQIEISA-N 1 1 316.264 3.400 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCSC[C@@H]2C)c1 ZINC000781907897 624169562 /nfs/dbraw/zinc/16/95/62/624169562.db2.gz HEXBMYAEHSWMPK-JTQLQIEISA-N 1 1 316.264 3.400 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCSC[C@@H]2C)c1 ZINC000781907897 624169565 /nfs/dbraw/zinc/16/95/65/624169565.db2.gz HEXBMYAEHSWMPK-JTQLQIEISA-N 1 1 316.264 3.400 20 10 DGCDMO CO[C@H]1C[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)C1 ZINC000878240207 624224376 /nfs/dbraw/zinc/22/43/76/624224376.db2.gz FAFUZUSLZCYWQO-KDYLLFBJSA-N 1 1 301.386 3.412 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000782299982 624235821 /nfs/dbraw/zinc/23/58/21/624235821.db2.gz HYZMIGREWFUZQX-UHFFFAOYSA-N 1 1 305.418 3.008 20 10 DGCDMO CC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C[C@H](C)OC ZINC000782462556 624254369 /nfs/dbraw/zinc/25/43/69/624254369.db2.gz DDPRSMUCKJJBBW-INIZCTEOSA-N 1 1 320.477 3.159 20 10 DGCDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000783717093 624387157 /nfs/dbraw/zinc/38/71/57/624387157.db2.gz HWSJIEVPCZGXIW-CYBMUJFWSA-N 1 1 307.287 3.075 20 10 DGCDMO Cc1ccc([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)cc1 ZINC000784025011 624423696 /nfs/dbraw/zinc/42/36/96/624423696.db2.gz JBGHRUOABLOCOI-OAHLLOKOSA-N 1 1 311.381 3.419 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](c3nccs3)C2)c1O ZINC000880316819 624914334 /nfs/dbraw/zinc/91/43/34/624914334.db2.gz HTDDWQIXSQQIIT-LLVKDONJSA-N 1 1 320.389 3.180 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000128471598 624969090 /nfs/dbraw/zinc/96/90/90/624969090.db2.gz DMLBVXQQEWIIET-OAHLLOKOSA-N 1 1 320.433 3.142 20 10 DGCDMO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(OCC)cc1O)C1CC1 ZINC000787441732 625010640 /nfs/dbraw/zinc/01/06/40/625010640.db2.gz YXJHDKYPNYMIEL-INIZCTEOSA-N 1 1 321.417 3.097 20 10 DGCDMO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(OCC)cc1O)C1CC1 ZINC000787441732 625010642 /nfs/dbraw/zinc/01/06/42/625010642.db2.gz YXJHDKYPNYMIEL-INIZCTEOSA-N 1 1 321.417 3.097 20 10 DGCDMO COCCOC[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788666754 625238309 /nfs/dbraw/zinc/23/83/09/625238309.db2.gz SKVZDPZAYFFOOF-WDEREUQCSA-N 1 1 321.339 3.113 20 10 DGCDMO Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c(O)c1 ZINC000788783706 625265123 /nfs/dbraw/zinc/26/51/23/625265123.db2.gz NSFRFCACQFUTFO-DLBZAZTESA-N 1 1 320.477 3.161 20 10 DGCDMO CN(CC[NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000790949907 625721086 /nfs/dbraw/zinc/72/10/86/625721086.db2.gz KGNSYVWRQYKABR-UHFFFAOYSA-N 1 1 308.784 3.411 20 10 DGCDMO CN(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1cccs1 ZINC000882880011 625841978 /nfs/dbraw/zinc/84/19/78/625841978.db2.gz XWDDYTJNLIOSRS-CYBMUJFWSA-N 1 1 312.385 3.124 20 10 DGCDMO CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1cccs1 ZINC000882880012 625842408 /nfs/dbraw/zinc/84/24/08/625842408.db2.gz XWDDYTJNLIOSRS-ZDUSSCGKSA-N 1 1 312.385 3.124 20 10 DGCDMO CN(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1ccsc1 ZINC000882882562 625844224 /nfs/dbraw/zinc/84/42/24/625844224.db2.gz QJNNONVMQRRIDW-CQSZACIVSA-N 1 1 312.385 3.124 20 10 DGCDMO CCOCc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882887719 625846493 /nfs/dbraw/zinc/84/64/93/625846493.db2.gz CWBIMQHNFQWLFN-UHFFFAOYSA-N 1 1 307.340 3.497 20 10 DGCDMO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(F)cc(F)c1O ZINC000882996872 625890762 /nfs/dbraw/zinc/89/07/62/625890762.db2.gz LWHMCRPDQXTNON-AWEZNQCLSA-N 1 1 321.323 3.292 20 10 DGCDMO C[C@H](O)C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000883041395 625907946 /nfs/dbraw/zinc/90/79/46/625907946.db2.gz LDUYVTKOAIICJY-JSGCOSHPSA-N 1 1 321.367 3.315 20 10 DGCDMO CC[C@]1(CO)CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792179717 625920530 /nfs/dbraw/zinc/92/05/30/625920530.db2.gz LMGYXDMHDZYDCV-HNNXBMFYSA-N 1 1 301.789 3.169 20 10 DGCDMO CC[C@]1(CO)CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792179717 625920534 /nfs/dbraw/zinc/92/05/34/625920534.db2.gz LMGYXDMHDZYDCV-HNNXBMFYSA-N 1 1 301.789 3.169 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000883136082 625939388 /nfs/dbraw/zinc/93/93/88/625939388.db2.gz ULTGOXJRTQYQMS-GOEBONIOSA-N 1 1 320.339 3.075 20 10 DGCDMO COCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CC[C@H](C)C1 ZINC000792465204 625947815 /nfs/dbraw/zinc/94/78/15/625947815.db2.gz LXSICOGRLVIKLE-BLLLJJGKSA-N 1 1 323.408 3.371 20 10 DGCDMO CC(C)CC[C@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000796448949 626050781 /nfs/dbraw/zinc/05/07/81/626050781.db2.gz KVEONPYLSXVPHK-ROUUACIJSA-N 1 1 321.461 3.170 20 10 DGCDMO CC[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(F)cc1O ZINC000796737124 626077920 /nfs/dbraw/zinc/07/79/20/626077920.db2.gz KIMMMFRSRSBPPT-AWEZNQCLSA-N 1 1 316.367 3.302 20 10 DGCDMO CC[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(F)cc1O ZINC000796765486 626080128 /nfs/dbraw/zinc/08/01/28/626080128.db2.gz ZQLGCKHQKJRYGE-GFCCVEGCSA-N 1 1 308.319 3.066 20 10 DGCDMO CC[C@H]([NH2+]CCCNc1ccccn1)c1ccc(F)cc1O ZINC000796794954 626083928 /nfs/dbraw/zinc/08/39/28/626083928.db2.gz ZJIKKHVIKKRHEU-HNNXBMFYSA-N 1 1 303.381 3.469 20 10 DGCDMO CC[C@@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1ccc(F)cc1O ZINC000796818543 626086613 /nfs/dbraw/zinc/08/66/13/626086613.db2.gz VBINUGWCYVABJA-WBVHZDCISA-N 1 1 322.424 3.219 20 10 DGCDMO COc1cccc(O)c1CNC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000797889766 626177602 /nfs/dbraw/zinc/17/76/02/626177602.db2.gz DUNNITALRWIILL-INIZCTEOSA-N 1 1 318.461 3.288 20 10 DGCDMO COc1cccc(O)c1C[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000797889766 626177603 /nfs/dbraw/zinc/17/76/03/626177603.db2.gz DUNNITALRWIILL-INIZCTEOSA-N 1 1 318.461 3.288 20 10 DGCDMO Cc1c(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)cnn1C ZINC000798182029 626200433 /nfs/dbraw/zinc/20/04/33/626200433.db2.gz PVHIYKJTRSGVCQ-SECBINFHSA-N 1 1 313.323 3.304 20 10 DGCDMO COC(=O)CC1(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000799296222 626285060 /nfs/dbraw/zinc/28/50/60/626285060.db2.gz IEBYHUFKAUCWJT-UHFFFAOYSA-N 1 1 318.461 3.306 20 10 DGCDMO CCCC[N@H+](Cc1ncnn1CCC)Cc1ccccc1O ZINC000801595435 626411478 /nfs/dbraw/zinc/41/14/78/626411478.db2.gz BFPHQOVNSQFMDG-UHFFFAOYSA-N 1 1 302.422 3.196 20 10 DGCDMO CCCC[N@@H+](Cc1ncnn1CCC)Cc1ccccc1O ZINC000801595435 626411479 /nfs/dbraw/zinc/41/14/79/626411479.db2.gz BFPHQOVNSQFMDG-UHFFFAOYSA-N 1 1 302.422 3.196 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N(CC)CC ZINC000801599310 626411699 /nfs/dbraw/zinc/41/16/99/626411699.db2.gz JWCCXNSTWKPEIW-OAHLLOKOSA-N 1 1 306.450 3.251 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CSC2(C)C)c1 ZINC000801735293 626416582 /nfs/dbraw/zinc/41/65/82/626416582.db2.gz JDTPXFVEBKWSLK-NSHDSACASA-N 1 1 316.264 3.447 20 10 DGCDMO CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)[C@@H]1CCCOC1 ZINC000883352359 626657316 /nfs/dbraw/zinc/65/73/16/626657316.db2.gz ZKPUFPYRGCAKBY-XPKDYRNWSA-N 1 1 321.417 3.035 20 10 DGCDMO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131704634 626671378 /nfs/dbraw/zinc/67/13/78/626671378.db2.gz UMQQAMLCTDDCBK-INIZCTEOSA-N 1 1 317.477 3.023 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c1O ZINC000840093909 626756009 /nfs/dbraw/zinc/75/60/09/626756009.db2.gz KOBZPAIBSHGUDW-INIZCTEOSA-N 1 1 305.418 3.100 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)cc1C(C)C ZINC000840106379 626763554 /nfs/dbraw/zinc/76/35/54/626763554.db2.gz UCCBGAHUXLQLCJ-OAHLLOKOSA-N 1 1 320.433 3.097 20 10 DGCDMO C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000808194785 626805536 /nfs/dbraw/zinc/80/55/36/626805536.db2.gz ZWXHNSVGTQFUBT-HNAYVOBHSA-N 1 1 314.473 3.330 20 10 DGCDMO C[C@H]1[C@H](N2CCCC2)CC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000808194785 626805537 /nfs/dbraw/zinc/80/55/37/626805537.db2.gz ZWXHNSVGTQFUBT-HNAYVOBHSA-N 1 1 314.473 3.330 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2ccccc2N(C)C)c1O ZINC000808235686 626807573 /nfs/dbraw/zinc/80/75/73/626807573.db2.gz ZMZQVVJFEBXBJS-UHFFFAOYSA-N 1 1 314.429 3.407 20 10 DGCDMO OC[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809543105 626917303 /nfs/dbraw/zinc/91/73/03/626917303.db2.gz KVOUNWRUIAGYBI-HXUWFJFHSA-N 1 1 322.452 3.206 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c(O)c1 ZINC000809693730 626937252 /nfs/dbraw/zinc/93/72/52/626937252.db2.gz ZWBVVHCGHKJDAG-INIZCTEOSA-N 1 1 301.390 3.241 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c(O)c1 ZINC000809693730 626937254 /nfs/dbraw/zinc/93/72/54/626937254.db2.gz ZWBVVHCGHKJDAG-INIZCTEOSA-N 1 1 301.390 3.241 20 10 DGCDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C)cc(Br)c2O)C1 ZINC000809692786 626937363 /nfs/dbraw/zinc/93/73/63/626937363.db2.gz GWSBYUBMRUYELP-TXEJJXNPSA-N 1 1 314.223 3.072 20 10 DGCDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C)cc(Br)c2O)C1 ZINC000809692786 626937365 /nfs/dbraw/zinc/93/73/65/626937365.db2.gz GWSBYUBMRUYELP-TXEJJXNPSA-N 1 1 314.223 3.072 20 10 DGCDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809718795 626941142 /nfs/dbraw/zinc/94/11/42/626941142.db2.gz YPFNVMSXBYRJHA-CQSZACIVSA-N 1 1 321.421 3.052 20 10 DGCDMO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c(O)ccc(Cl)c1F ZINC000809724117 626942022 /nfs/dbraw/zinc/94/20/22/626942022.db2.gz DYZXHTPPQUKPCV-SMDDNHRTSA-N 1 1 312.816 3.243 20 10 DGCDMO COc1cccc(C[NH2+]Cc2occc2Br)c1O ZINC000809740198 626944265 /nfs/dbraw/zinc/94/42/65/626944265.db2.gz OOOSNPXEMLNZKA-UHFFFAOYSA-N 1 1 312.163 3.046 20 10 DGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCN2CCC1CC2 ZINC000809743314 626944730 /nfs/dbraw/zinc/94/47/30/626944730.db2.gz WOWYIJKIUDUJPK-UHFFFAOYSA-N 1 1 308.425 3.339 20 10 DGCDMO Oc1ccc(-c2ccccc2)cc1CN1CC[NH+]2CCC1CC2 ZINC000809743314 626944734 /nfs/dbraw/zinc/94/47/34/626944734.db2.gz WOWYIJKIUDUJPK-UHFFFAOYSA-N 1 1 308.425 3.339 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2CCNC(=O)C[C@H]2C)cc1 ZINC000809765258 626949063 /nfs/dbraw/zinc/94/90/63/626949063.db2.gz NFCBPMJKIMVQMM-MRXNPFEDSA-N 1 1 317.477 3.023 20 10 DGCDMO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000810257056 626993893 /nfs/dbraw/zinc/99/38/93/626993893.db2.gz GQQRLOJFGBESKX-IWSPIJDZSA-N 1 1 320.202 3.368 20 10 DGCDMO CCc1nnc(C[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)s1 ZINC000810259124 626993961 /nfs/dbraw/zinc/99/39/61/626993961.db2.gz BSNSSXXBUKQYTL-AWEZNQCLSA-N 1 1 304.463 3.407 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1c(O)cccc1F ZINC000886489497 627151998 /nfs/dbraw/zinc/15/19/98/627151998.db2.gz KHYUXJLOAMIQGH-NWDGAFQWSA-N 1 1 303.333 3.022 20 10 DGCDMO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1c(O)cccc1F ZINC000886532235 627158116 /nfs/dbraw/zinc/15/81/16/627158116.db2.gz GHLNWSCPQOMCET-NSHDSACASA-N 1 1 304.321 3.333 20 10 DGCDMO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886543493 627160616 /nfs/dbraw/zinc/16/06/16/627160616.db2.gz PSIXCZJEJUFXLB-LRDDRELGSA-N 1 1 319.376 3.314 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)[C@H](O)c1cccc(F)c1 ZINC000886550156 627161147 /nfs/dbraw/zinc/16/11/47/627161147.db2.gz TUBJWYYJKLYKPK-RVPKQNPDSA-N 1 1 307.340 3.443 20 10 DGCDMO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886594557 627169490 /nfs/dbraw/zinc/16/94/90/627169490.db2.gz OYOTYWVEBNAOGQ-NWDGAFQWSA-N 1 1 324.396 3.049 20 10 DGCDMO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2c(O)cccc2F)c1 ZINC000886596536 627169807 /nfs/dbraw/zinc/16/98/07/627169807.db2.gz HOCDMLQXECUSJM-ZFWWWQNUSA-N 1 1 303.377 3.094 20 10 DGCDMO C[C@H](C[NH2+][C@H](C)c1c(O)cccc1F)NC(=O)OC(C)(C)C ZINC000886603110 627171303 /nfs/dbraw/zinc/17/13/03/627171303.db2.gz HKHZKOXYYANVLT-GHMZBOCLSA-N 1 1 312.385 3.095 20 10 DGCDMO C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1c(O)cccc1F ZINC000886606528 627171788 /nfs/dbraw/zinc/17/17/88/627171788.db2.gz ANWUQYJQPJHPEL-ZFWWWQNUSA-N 1 1 303.377 3.176 20 10 DGCDMO C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1c(O)cccc1F ZINC000886606525 627171826 /nfs/dbraw/zinc/17/18/26/627171826.db2.gz ANWUQYJQPJHPEL-DZGCQCFKSA-N 1 1 303.377 3.176 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1c(O)cccc1F ZINC000886620133 627174928 /nfs/dbraw/zinc/17/49/28/627174928.db2.gz CJMSTNKOUMCJHN-QEORTHHSSA-N 1 1 316.376 3.497 20 10 DGCDMO C[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1c(O)cccc1F ZINC000886631884 627177312 /nfs/dbraw/zinc/17/73/12/627177312.db2.gz YMZDCVOOQRDKSC-YJYMSZOUSA-N 1 1 315.388 3.058 20 10 DGCDMO CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2c(O)cccc2F)cc1 ZINC000886641529 627178637 /nfs/dbraw/zinc/17/86/37/627178637.db2.gz LTHFTVBAOIFQBF-GFCCVEGCSA-N 1 1 316.376 3.365 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)c1c(O)cccc1F ZINC000886769545 627202931 /nfs/dbraw/zinc/20/29/31/627202931.db2.gz WUKFAFRYIWBRRQ-RRLOCTAFSA-N 1 1 323.408 3.155 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1F ZINC000811518808 627287048 /nfs/dbraw/zinc/28/70/48/627287048.db2.gz PDRVANVDLKJNCF-ZWKOTPCHSA-N 1 1 318.436 3.425 20 10 DGCDMO CCC[N@H+](CC)C[C@@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000811520237 627287173 /nfs/dbraw/zinc/28/71/73/627287173.db2.gz LSVDZPDHLFZGBJ-GFCCVEGCSA-N 1 1 314.857 3.264 20 10 DGCDMO CCC[N@@H+](CC)C[C@@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000811520237 627287177 /nfs/dbraw/zinc/28/71/77/627287177.db2.gz LSVDZPDHLFZGBJ-GFCCVEGCSA-N 1 1 314.857 3.264 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(O)cc1C ZINC000811803837 627322710 /nfs/dbraw/zinc/32/27/10/627322710.db2.gz TVDVJMOYOTXOBP-AWEZNQCLSA-N 1 1 321.808 3.006 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000812294404 627368305 /nfs/dbraw/zinc/36/83/05/627368305.db2.gz MBIQBQJFVIZVJY-OAHLLOKOSA-N 1 1 315.417 3.039 20 10 DGCDMO Cc1cccc(NCc2cc(F)c(N3CCOCC3)c(F)c2)[nH+]1 ZINC000840326822 627603089 /nfs/dbraw/zinc/60/30/89/627603089.db2.gz XQSJPANLCRAUAS-UHFFFAOYSA-N 1 1 319.355 3.117 20 10 DGCDMO COCC[N@@H+](Cc1ccco1)Cc1ccc(N(C)C)c(C)c1 ZINC000815016195 627617046 /nfs/dbraw/zinc/61/70/46/627617046.db2.gz ZEHVZSPRNSMSEQ-UHFFFAOYSA-N 1 1 302.418 3.303 20 10 DGCDMO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC000815042444 627618080 /nfs/dbraw/zinc/61/80/80/627618080.db2.gz JEVWHBWWXGCDRG-UHFFFAOYSA-N 1 1 324.424 3.363 20 10 DGCDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC000815042444 627618083 /nfs/dbraw/zinc/61/80/83/627618083.db2.gz JEVWHBWWXGCDRG-UHFFFAOYSA-N 1 1 324.424 3.363 20 10 DGCDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000815057648 627620702 /nfs/dbraw/zinc/62/07/02/627620702.db2.gz WHZDQAACGPYWBQ-SJLPKXTDSA-N 1 1 303.494 3.366 20 10 DGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000815057648 627620703 /nfs/dbraw/zinc/62/07/03/627620703.db2.gz WHZDQAACGPYWBQ-SJLPKXTDSA-N 1 1 303.494 3.366 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@H]2C2CCOCC2)ccc1N(C)C ZINC000815084315 627624209 /nfs/dbraw/zinc/62/42/09/627624209.db2.gz AWWVDCIFJLRERB-IBGZPJMESA-N 1 1 302.462 3.452 20 10 DGCDMO CCC1(CC)C[N@H+](Cc2ccc(N(C)C)c(C)c2)CC[S@]1=O ZINC000815094930 627625740 /nfs/dbraw/zinc/62/57/40/627625740.db2.gz PTJQREQDHWOIIO-JOCHJYFZSA-N 1 1 322.518 3.184 20 10 DGCDMO CCC1(CC)C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CC[S@]1=O ZINC000815094930 627625743 /nfs/dbraw/zinc/62/57/43/627625743.db2.gz PTJQREQDHWOIIO-JOCHJYFZSA-N 1 1 322.518 3.184 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@@H](N3CCCC3)C[C@@H]2C)ccc1N(C)C ZINC000815118522 627629826 /nfs/dbraw/zinc/62/98/26/627629826.db2.gz WLGSIQPCIATWAS-WMZOPIPTSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(C[N@@H+]2C[C@@H](N3CCCC3)C[C@@H]2C)ccc1N(C)C ZINC000815118522 627629829 /nfs/dbraw/zinc/62/98/29/627629829.db2.gz WLGSIQPCIATWAS-WMZOPIPTSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)ccc1N(C)C ZINC000815119745 627630283 /nfs/dbraw/zinc/63/02/83/627630283.db2.gz GHQOGZRTALGZEF-ROUUACIJSA-N 1 1 302.462 3.450 20 10 DGCDMO CCN(C)c1ccc(CN2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000815120665 627630958 /nfs/dbraw/zinc/63/09/58/627630958.db2.gz LQHAQDVPNWTBOC-QGZVFWFLSA-N 1 1 315.505 3.449 20 10 DGCDMO CCN(C)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000815145338 627636660 /nfs/dbraw/zinc/63/66/60/627636660.db2.gz RUCZZNZJJSYSJX-LJQANCHMSA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000815145338 627636664 /nfs/dbraw/zinc/63/66/64/627636664.db2.gz RUCZZNZJJSYSJX-LJQANCHMSA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000815145338 627636667 /nfs/dbraw/zinc/63/66/67/627636667.db2.gz RUCZZNZJJSYSJX-LJQANCHMSA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(C)c1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000815145338 627636668 /nfs/dbraw/zinc/63/66/68/627636668.db2.gz RUCZZNZJJSYSJX-LJQANCHMSA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(C)c1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000815145338 627636672 /nfs/dbraw/zinc/63/66/72/627636672.db2.gz RUCZZNZJJSYSJX-LJQANCHMSA-N 1 1 301.478 3.060 20 10 DGCDMO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000924861529 627688389 /nfs/dbraw/zinc/68/83/89/627688389.db2.gz KLAZQHVISISKHG-CQSZACIVSA-N 1 1 303.381 3.355 20 10 DGCDMO COC[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C1CC1 ZINC000815598321 627689715 /nfs/dbraw/zinc/68/97/15/627689715.db2.gz ROZNLAMJVIJVNS-TVQRCGJNSA-N 1 1 303.324 3.487 20 10 DGCDMO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1O ZINC000815598355 627689816 /nfs/dbraw/zinc/68/98/16/627689816.db2.gz SLMVEHWONKHMHN-MWLCHTKSSA-N 1 1 303.324 3.223 20 10 DGCDMO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1O ZINC000815598354 627689855 /nfs/dbraw/zinc/68/98/55/627689855.db2.gz SLMVEHWONKHMHN-KOLCDFICSA-N 1 1 303.324 3.223 20 10 DGCDMO C[C@H]([NH2+]CC1(CCO)CC1)c1cccc(C(F)(F)F)c1O ZINC000815618322 627691650 /nfs/dbraw/zinc/69/16/50/627691650.db2.gz JIICJZQBGRWWIL-JTQLQIEISA-N 1 1 303.324 3.224 20 10 DGCDMO CN(C)c1ccc(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925512034 627745144 /nfs/dbraw/zinc/74/51/44/627745144.db2.gz YQVYUAMUFUTSMA-OALUTQOASA-N 1 1 301.478 3.011 20 10 DGCDMO Oc1c(C[NH+]2CCN(CC(F)(F)F)CC2)ccc2ccccc21 ZINC000816483598 627796214 /nfs/dbraw/zinc/79/62/14/627796214.db2.gz XUNUCNBKJBCWBN-UHFFFAOYSA-N 1 1 324.346 3.225 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000816528636 627802565 /nfs/dbraw/zinc/80/25/65/627802565.db2.gz KYNJKPKJESIBRQ-UHFFFAOYSA-N 1 1 309.724 3.203 20 10 DGCDMO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816550441 627805829 /nfs/dbraw/zinc/80/58/29/627805829.db2.gz RCUXXEIFFLTUPY-BZNIZROVSA-N 1 1 323.795 3.439 20 10 DGCDMO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816550549 627806161 /nfs/dbraw/zinc/80/61/61/627806161.db2.gz UQNPOYOTOCBQRP-CQSZACIVSA-N 1 1 321.783 3.450 20 10 DGCDMO OCC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccs1 ZINC000816552498 627806400 /nfs/dbraw/zinc/80/64/00/627806400.db2.gz NZTXHBPZQBNBJU-LBPRGKRZSA-N 1 1 315.797 3.460 20 10 DGCDMO CC1(C)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@@H]2CCCO[C@@H]21 ZINC000816555146 627806912 /nfs/dbraw/zinc/80/69/12/627806912.db2.gz VJZZNZPZNUWYFT-VQISRLSMSA-N 1 1 313.800 3.478 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H](O)Cc1ccccc1 ZINC000816558120 627807305 /nfs/dbraw/zinc/80/73/05/627807305.db2.gz NULKTMDGAZDLIS-BZNIZROVSA-N 1 1 323.795 3.266 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000816559234 627807526 /nfs/dbraw/zinc/80/75/26/627807526.db2.gz CFSLRXREGUBLIZ-UHFFFAOYSA-N 1 1 321.783 3.184 20 10 DGCDMO Cc1cccc(NCC[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000816563124 627808063 /nfs/dbraw/zinc/80/80/63/627808063.db2.gz LFIFICHPKBLEDV-UHFFFAOYSA-N 1 1 309.772 3.090 20 10 DGCDMO C[C@H](CCO)C1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCC1 ZINC000816560527 627808594 /nfs/dbraw/zinc/80/85/94/627808594.db2.gz RKRDLNODYCATAQ-LLVKDONJSA-N 1 1 315.816 3.463 20 10 DGCDMO CO[C@H](CC[NH2+]Cc1cc(Cl)c(F)cc1O)C(F)(F)F ZINC000816588305 627811932 /nfs/dbraw/zinc/81/19/32/627811932.db2.gz KPAYXYAIHBJPMH-LLVKDONJSA-N 1 1 315.694 3.242 20 10 DGCDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816600414 627813376 /nfs/dbraw/zinc/81/33/76/627813376.db2.gz WEOWPGKJAXRDNU-QGZVFWFLSA-N 1 1 315.413 3.173 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000816616887 627815439 /nfs/dbraw/zinc/81/54/39/627815439.db2.gz IQMUPPGCPWAPBY-ZDUSSCGKSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000816616887 627815442 /nfs/dbraw/zinc/81/54/42/627815442.db2.gz IQMUPPGCPWAPBY-ZDUSSCGKSA-N 1 1 313.800 3.433 20 10 DGCDMO COc1c(O)c(C[NH2+]CC(C)(C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000816618630 627815759 /nfs/dbraw/zinc/81/57/59/627815759.db2.gz DBVFABZMGLHLMU-UHFFFAOYSA-N 1 1 310.394 3.471 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC(C)(C)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000816624848 627816454 /nfs/dbraw/zinc/81/64/54/627816454.db2.gz JMHQAFLPIJJEBH-HNNXBMFYSA-N 1 1 308.378 3.175 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC(C)(C)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000816624848 627816458 /nfs/dbraw/zinc/81/64/58/627816458.db2.gz JMHQAFLPIJJEBH-HNNXBMFYSA-N 1 1 308.378 3.175 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)c(O)c1 ZINC000816662773 627821453 /nfs/dbraw/zinc/82/14/53/627821453.db2.gz YEWHVRZLMVKERX-SFHVURJKSA-N 1 1 307.434 3.021 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1)OCO2 ZINC000817365389 627889766 /nfs/dbraw/zinc/88/97/66/627889766.db2.gz OTDOCYIIBDDRRD-JTQLQIEISA-N 1 1 317.307 3.285 20 10 DGCDMO CON1CCC([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000817588379 627927343 /nfs/dbraw/zinc/92/73/43/627927343.db2.gz ONEHEJNRNILIEM-VIFPVBQESA-N 1 1 319.232 3.375 20 10 DGCDMO CON1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000817588133 627927439 /nfs/dbraw/zinc/92/74/39/627927439.db2.gz LZPGKUHNOZXGQO-SNVBAGLBSA-N 1 1 318.339 3.087 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)nc(C)c2)c1 ZINC000817589414 627927526 /nfs/dbraw/zinc/92/75/26/627927526.db2.gz NMTXHDIGKCHGRK-ZDUSSCGKSA-N 1 1 314.385 3.041 20 10 DGCDMO c1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc2c1OCC2 ZINC000817902542 627956872 /nfs/dbraw/zinc/95/68/72/627956872.db2.gz TWERPXGPEIBYOY-FGTMMUONSA-N 1 1 300.446 3.022 20 10 DGCDMO CC1CCN(c2ccc(C[NH2+][C@H]3CNCC[C@H]3C)cc2)CC1 ZINC000817902780 627956900 /nfs/dbraw/zinc/95/69/00/627956900.db2.gz YEEROIXBQJRKQY-APWZRJJASA-N 1 1 301.478 3.011 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000817938167 627966789 /nfs/dbraw/zinc/96/67/89/627966789.db2.gz GABVGLMDLRQUFL-KPZWWZAWSA-N 1 1 319.399 3.381 20 10 DGCDMO C[C@H](NC1CC[NH2+]CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817937200 627966864 /nfs/dbraw/zinc/96/68/64/627966864.db2.gz VBWUHDCCTCXXKV-AWEZNQCLSA-N 1 1 305.441 3.219 20 10 DGCDMO CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817940845 627969057 /nfs/dbraw/zinc/96/90/57/627969057.db2.gz LGBILDZLUCIXJL-JOYOIKCWSA-N 1 1 303.233 3.492 20 10 DGCDMO C[C@H]([NH2+][C@H](CN)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817960338 627975878 /nfs/dbraw/zinc/97/58/78/627975878.db2.gz MEDDDHKQAIFTFB-SUMWQHHRSA-N 1 1 305.441 3.204 20 10 DGCDMO C[C@@H](NCC(F)(F)C[NH3+])c1ccc(N2CCCCCC2)cc1 ZINC000817965827 627978058 /nfs/dbraw/zinc/97/80/58/627978058.db2.gz CPLWEXUMTJCNSG-CQSZACIVSA-N 1 1 311.420 3.312 20 10 DGCDMO C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968766 627978944 /nfs/dbraw/zinc/97/89/44/627978944.db2.gz MBVRPDBONKOVEK-VDDIYKPWSA-N 1 1 303.233 3.348 20 10 DGCDMO C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000817976243 627980920 /nfs/dbraw/zinc/98/09/20/627980920.db2.gz IRWSESSRMOUQMG-QWRGUYRKSA-N 1 1 315.255 3.323 20 10 DGCDMO CC[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1O ZINC000817979778 627981803 /nfs/dbraw/zinc/98/18/03/627981803.db2.gz FDNSNBMUPKRNKY-VXGBXAGGSA-N 1 1 304.768 3.084 20 10 DGCDMO C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1c(O)cccc1F ZINC000926959316 627989588 /nfs/dbraw/zinc/98/95/88/627989588.db2.gz RHONCEPLKLKZMH-CABZTGNLSA-N 1 1 308.319 3.065 20 10 DGCDMO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)s1 ZINC000818357294 628017992 /nfs/dbraw/zinc/01/79/92/628017992.db2.gz YLMVHZQZPDLTQN-GHMZBOCLSA-N 1 1 320.414 3.356 20 10 DGCDMO C[C@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccc(N(C)C)cc1 ZINC000927117857 628019414 /nfs/dbraw/zinc/01/94/14/628019414.db2.gz QUAUNGCZBSGKIK-LBPRGKRZSA-N 1 1 317.458 3.133 20 10 DGCDMO COc1ccc(N2CC[C@H](CNc3cc(C)[nH+]c(C)n3)C2)cc1 ZINC000819934950 628201356 /nfs/dbraw/zinc/20/13/56/628201356.db2.gz IYLRYUOPFMKEDP-OAHLLOKOSA-N 1 1 312.417 3.040 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000822653834 628475425 /nfs/dbraw/zinc/47/54/25/628475425.db2.gz CUCKRKXIJVWIRF-OAHLLOKOSA-N 1 1 304.434 3.004 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000823026011 628519454 /nfs/dbraw/zinc/51/94/54/628519454.db2.gz OCKCLHAYJMJSEF-MRXNPFEDSA-N 1 1 318.461 3.394 20 10 DGCDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824272017 628645589 /nfs/dbraw/zinc/64/55/89/628645589.db2.gz PPWGOUOQCLGXJN-PBHICJAKSA-N 1 1 316.470 3.340 20 10 DGCDMO CC[N@H+](Cc1cn(C2CCC2)nn1)Cc1ccc(N(C)C)cc1 ZINC000824484985 628664962 /nfs/dbraw/zinc/66/49/62/628664962.db2.gz XPIYYAQMZYYAGG-UHFFFAOYSA-N 1 1 313.449 3.091 20 10 DGCDMO CC[N@@H+](Cc1cn(C2CCC2)nn1)Cc1ccc(N(C)C)cc1 ZINC000824484985 628664963 /nfs/dbraw/zinc/66/49/63/628664963.db2.gz XPIYYAQMZYYAGG-UHFFFAOYSA-N 1 1 313.449 3.091 20 10 DGCDMO CN(C)c1ccc(C[NH2+][C@@H]2CCn3ccnc32)c(C(F)(F)F)c1 ZINC000824527179 628666861 /nfs/dbraw/zinc/66/68/61/628666861.db2.gz SLIGWWJIWHOULX-CQSZACIVSA-N 1 1 324.350 3.203 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000824625210 628678217 /nfs/dbraw/zinc/67/82/17/628678217.db2.gz GYJVDMFPPUVCHI-GFCCVEGCSA-N 1 1 314.223 3.120 20 10 DGCDMO CO[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C[C@H]1C ZINC000824814619 628696517 /nfs/dbraw/zinc/69/65/17/628696517.db2.gz BVYWRTIMJRFLGC-ZWNOBZJWSA-N 1 1 314.223 3.012 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C[C@H]1C ZINC000824814619 628696519 /nfs/dbraw/zinc/69/65/19/628696519.db2.gz BVYWRTIMJRFLGC-ZWNOBZJWSA-N 1 1 314.223 3.012 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2ncccc2OC)cc1F ZINC000825250074 628742267 /nfs/dbraw/zinc/74/22/67/628742267.db2.gz SZJRAORQCZBVOD-UHFFFAOYSA-N 1 1 317.408 3.365 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825439466 628761425 /nfs/dbraw/zinc/76/14/25/628761425.db2.gz CXAQSRVFQKCRHE-CYBMUJFWSA-N 1 1 323.400 3.155 20 10 DGCDMO FC(F)Oc1ccc2c(c1)CCCN2Cc1c[nH+]c2n1CCC2 ZINC000825510227 628770151 /nfs/dbraw/zinc/77/01/51/628770151.db2.gz XSZPOXBJOMNWQM-UHFFFAOYSA-N 1 1 319.355 3.384 20 10 DGCDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000826043694 628822675 /nfs/dbraw/zinc/82/26/75/628822675.db2.gz OQWIBBJQYDQVLY-CXAGYDPISA-N 1 1 321.461 3.291 20 10 DGCDMO COc1cc(C[N@H+]2C[C@@H](O)CC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826131295 628830097 /nfs/dbraw/zinc/83/00/97/628830097.db2.gz QTOOFZZAUSQVPW-OCCSQVGLSA-N 1 1 307.434 3.044 20 10 DGCDMO COCC[N@H+](CCF)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000827049608 628916678 /nfs/dbraw/zinc/91/66/78/628916678.db2.gz ZBGCPCSQHWYLNO-UHFFFAOYSA-N 1 1 322.346 3.189 20 10 DGCDMO COCC[N@@H+](CCF)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000827049608 628916679 /nfs/dbraw/zinc/91/66/79/628916679.db2.gz ZBGCPCSQHWYLNO-UHFFFAOYSA-N 1 1 322.346 3.189 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1O ZINC000827538592 628969251 /nfs/dbraw/zinc/96/92/51/628969251.db2.gz RIGNOEVBUMRVPQ-UHFFFAOYSA-N 1 1 317.429 3.182 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1 ZINC000827789909 628991615 /nfs/dbraw/zinc/99/16/15/628991615.db2.gz YGIPTIKLOVYKJF-YPMHNXCESA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1 ZINC000827789909 628991618 /nfs/dbraw/zinc/99/16/18/628991618.db2.gz YGIPTIKLOVYKJF-YPMHNXCESA-N 1 1 303.324 3.242 20 10 DGCDMO COC[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000827872647 628999033 /nfs/dbraw/zinc/99/90/33/628999033.db2.gz FHLZHYSMYZJGMQ-SFHVURJKSA-N 1 1 302.462 3.454 20 10 DGCDMO C[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)C1(CO)CC1 ZINC000827903673 629002069 /nfs/dbraw/zinc/00/20/69/629002069.db2.gz NPOYBAGANJHIIA-UHFFFAOYSA-N 1 1 322.452 3.206 20 10 DGCDMO Cc1cc(N(C)C)ccc1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000827949765 629007045 /nfs/dbraw/zinc/00/70/45/629007045.db2.gz NSDBDBNFYNAFEO-SFHVURJKSA-N 1 1 315.505 3.273 20 10 DGCDMO Cc1cc(N(C)C)ccc1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000827949765 629007048 /nfs/dbraw/zinc/00/70/48/629007048.db2.gz NSDBDBNFYNAFEO-SFHVURJKSA-N 1 1 315.505 3.273 20 10 DGCDMO CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)c1O ZINC000827962995 629008896 /nfs/dbraw/zinc/00/88/96/629008896.db2.gz XRAKHRXBNBADEU-BZNIZROVSA-N 1 1 315.360 3.035 20 10 DGCDMO CCOc1cccc(C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)c1O ZINC000827962995 629008898 /nfs/dbraw/zinc/00/88/98/629008898.db2.gz XRAKHRXBNBADEU-BZNIZROVSA-N 1 1 315.360 3.035 20 10 DGCDMO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000828014047 629014702 /nfs/dbraw/zinc/01/47/02/629014702.db2.gz RVBIMKBSMPGNRL-UHFFFAOYSA-N 1 1 305.809 3.353 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@@H](O)CC2)ccc1N1CCCCC1 ZINC000830052099 629220981 /nfs/dbraw/zinc/22/09/81/629220981.db2.gz IOBXCZAFLROCOU-GOSISDBHSA-N 1 1 302.462 3.332 20 10 DGCDMO CO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)C12CCC2 ZINC000832208423 629449774 /nfs/dbraw/zinc/44/97/74/629449774.db2.gz ACAMHAJXFAAOEN-HOTGVXAUSA-N 1 1 321.392 3.123 20 10 DGCDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2O)C12CCC2 ZINC000832208423 629449776 /nfs/dbraw/zinc/44/97/76/629449776.db2.gz ACAMHAJXFAAOEN-HOTGVXAUSA-N 1 1 321.392 3.123 20 10 DGCDMO CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CC[N@H+](C(C)C)C2)c1O ZINC000832779518 629513828 /nfs/dbraw/zinc/51/38/28/629513828.db2.gz ZNGOPAAESZRYKD-HNNXBMFYSA-N 1 1 324.852 3.163 20 10 DGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)c1O ZINC000834871578 629794055 /nfs/dbraw/zinc/79/40/55/629794055.db2.gz MWPWDCPCKXJDOG-SNVBAGLBSA-N 1 1 308.813 3.446 20 10 DGCDMO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1cc(Cl)ccc1O ZINC000834881872 629796135 /nfs/dbraw/zinc/79/61/35/629796135.db2.gz CRYLXSXPSDQZLE-MRVPVSSYSA-N 1 1 300.189 3.283 20 10 DGCDMO CC[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(N(C)C)cc1 ZINC000834882529 629796900 /nfs/dbraw/zinc/79/69/00/629796900.db2.gz KVSKJBWKTAZMEH-OAHLLOKOSA-N 1 1 306.841 3.380 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCC2(F)F)c1 ZINC000834885418 629797616 /nfs/dbraw/zinc/79/76/16/629797616.db2.gz KNQJSNDTLOTUDY-ZYHUDNBSSA-N 1 1 313.344 3.265 20 10 DGCDMO C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c2c1c(F)ccc2O ZINC000834891805 629799268 /nfs/dbraw/zinc/79/92/68/629799268.db2.gz JLWKUFLMGFCRAN-ZWOWXGAWSA-N 1 1 304.409 3.294 20 10 DGCDMO C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c2c1c(F)ccc2O ZINC000834891804 629799404 /nfs/dbraw/zinc/79/94/04/629799404.db2.gz JLWKUFLMGFCRAN-JXODSGKVSA-N 1 1 304.409 3.294 20 10 DGCDMO C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(Cl)c(Cl)cc1O ZINC000834908566 629805888 /nfs/dbraw/zinc/80/58/88/629805888.db2.gz KLBNURUBPAKJNN-XLKFXECMSA-N 1 1 317.216 3.018 20 10 DGCDMO CC[N@@H+](C)C[C@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027155 629828854 /nfs/dbraw/zinc/82/88/54/629828854.db2.gz BOPKRLAASPNWRN-HPFMTEOYSA-N 1 1 301.478 3.039 20 10 DGCDMO CC[N@@H+](C)C[C@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027156 629829152 /nfs/dbraw/zinc/82/91/52/629829152.db2.gz BOPKRLAASPNWRN-IPLHWJFFSA-N 1 1 301.478 3.039 20 10 DGCDMO CCCNC(=O)C[N@H+](C/C=C/c1ccc(N(C)C)cc1)CCC ZINC000835027278 629829379 /nfs/dbraw/zinc/82/93/79/629829379.db2.gz JWESUIULQDCYLO-BQYQJAHWSA-N 1 1 317.477 3.004 20 10 DGCDMO CC[C@@H](CNC/C=C\c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000835035934 629830377 /nfs/dbraw/zinc/83/03/77/629830377.db2.gz LQGOQYRKMCJNLK-ZEVQVBBLSA-N 1 1 301.478 3.230 20 10 DGCDMO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835045884 629834502 /nfs/dbraw/zinc/83/45/02/629834502.db2.gz LGXUNBZVHPIBMB-WHLNPGIBSA-N 1 1 317.477 3.001 20 10 DGCDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835045884 629834507 /nfs/dbraw/zinc/83/45/07/629834507.db2.gz LGXUNBZVHPIBMB-WHLNPGIBSA-N 1 1 317.477 3.001 20 10 DGCDMO Cc1ccc(C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCO)o1 ZINC000835050904 629836499 /nfs/dbraw/zinc/83/64/99/629836499.db2.gz GCGRWKOLOFTFEH-PLNGDYQASA-N 1 1 314.429 3.162 20 10 DGCDMO Cc1nccn1CCC[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835052495 629836972 /nfs/dbraw/zinc/83/69/72/629836972.db2.gz DPFWROYBOGXRIB-ALCCZGGFSA-N 1 1 312.461 3.293 20 10 DGCDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835051814 629837119 /nfs/dbraw/zinc/83/71/19/629837119.db2.gz JYSGVXIFFVVARW-WENXUGBFSA-N 1 1 302.462 3.391 20 10 DGCDMO CCC[C@@]1(CO)CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835051873 629837195 /nfs/dbraw/zinc/83/71/95/629837195.db2.gz AWHUXQVCZUGKRA-SFFCAUCYSA-N 1 1 302.462 3.250 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)C2CCC(CO)CC2)cc1 ZINC000835054165 629838379 /nfs/dbraw/zinc/83/83/79/629838379.db2.gz RPNFRZGJEOHLDZ-PLNGDYQASA-N 1 1 302.462 3.249 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000835055970 629839449 /nfs/dbraw/zinc/83/94/49/629839449.db2.gz QNXDWQLBGKPWSF-QWNKOJSDSA-N 1 1 300.446 3.145 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000835055876 629839829 /nfs/dbraw/zinc/83/98/29/629839829.db2.gz OQPWUWCUJFEKFV-NFICYJJRSA-N 1 1 312.457 3.409 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000835055876 629839837 /nfs/dbraw/zinc/83/98/37/629839837.db2.gz OQPWUWCUJFEKFV-NFICYJJRSA-N 1 1 312.457 3.409 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)CCOc2ccc(F)cc2)c1O ZINC000121473862 630186526 /nfs/dbraw/zinc/18/65/26/630186526.db2.gz JTURTLRCWOYRQI-UHFFFAOYSA-N 1 1 319.376 3.441 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000840878952 630370773 /nfs/dbraw/zinc/37/07/73/630370773.db2.gz AHRPAUOPAYETQO-AAEUAGOBSA-N 1 1 307.340 3.097 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2C)ccc1O ZINC000840909226 630376579 /nfs/dbraw/zinc/37/65/79/630376579.db2.gz DABXXGIFWRNZIK-UHFFFAOYSA-N 1 1 314.429 3.407 20 10 DGCDMO Cc1noc([C@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2C)n1 ZINC000840946571 630382188 /nfs/dbraw/zinc/38/21/88/630382188.db2.gz RUTKZXBXYTUELO-MRXNPFEDSA-N 1 1 300.406 3.090 20 10 DGCDMO Cc1noc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2C)n1 ZINC000840946571 630382190 /nfs/dbraw/zinc/38/21/90/630382190.db2.gz RUTKZXBXYTUELO-MRXNPFEDSA-N 1 1 300.406 3.090 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000840950158 630383186 /nfs/dbraw/zinc/38/31/86/630383186.db2.gz KSCSGFRRHZLDQG-GOSISDBHSA-N 1 1 302.462 3.310 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000840951330 630383487 /nfs/dbraw/zinc/38/34/87/630383487.db2.gz WJGASZROOIXABG-ZANVPECISA-N 1 1 323.742 3.099 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840959647 630386411 /nfs/dbraw/zinc/38/64/11/630386411.db2.gz ZFBSDZUIIRGGOB-BBRMVZONSA-N 1 1 321.779 3.493 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840959647 630386415 /nfs/dbraw/zinc/38/64/15/630386415.db2.gz ZFBSDZUIIRGGOB-BBRMVZONSA-N 1 1 321.779 3.493 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc3ncccc3c2)cc1 ZINC000841040100 630400410 /nfs/dbraw/zinc/40/04/10/630400410.db2.gz IKKCVFXCIRDMSA-IBGZPJMESA-N 1 1 320.440 3.090 20 10 DGCDMO [NH3+]C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CCCCC1 ZINC000841039497 630400612 /nfs/dbraw/zinc/40/06/12/630400612.db2.gz RMEXRPXKRAGLER-CQSZACIVSA-N 1 1 300.805 3.182 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2cccc3cccnc32)cc1 ZINC000841041538 630400732 /nfs/dbraw/zinc/40/07/32/630400732.db2.gz DAMDGMGRGGMZCX-LJQANCHMSA-N 1 1 320.440 3.090 20 10 DGCDMO C[C@H]1C[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CC[NH2+]1 ZINC000841064095 630403613 /nfs/dbraw/zinc/40/36/13/630403613.db2.gz XWHDGOOFQMVIOA-WCQYABFASA-N 1 1 315.383 3.002 20 10 DGCDMO CN(C)c1ccc(CNCCC[NH2+]C2CC2)c(C(F)(F)F)c1 ZINC000841090789 630406675 /nfs/dbraw/zinc/40/66/75/630406675.db2.gz QSSHSMPZGLLURG-UHFFFAOYSA-N 1 1 315.383 3.003 20 10 DGCDMO Oc1c(F)cc(Cl)cc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000841101178 630407968 /nfs/dbraw/zinc/40/79/68/630407968.db2.gz RATZCOYAEMSDPQ-INIZCTEOSA-N 1 1 320.795 3.331 20 10 DGCDMO C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000841296486 630424069 /nfs/dbraw/zinc/42/40/69/630424069.db2.gz TYOCZXLGGGSNRC-KGLIPLIRSA-N 1 1 316.449 3.043 20 10 DGCDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(N)cc2)C1 ZINC000841299873 630424975 /nfs/dbraw/zinc/42/49/75/630424975.db2.gz JGQQNBWTYIVYMT-CQSZACIVSA-N 1 1 318.465 3.291 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(Cl)cc1O ZINC000841748240 630461580 /nfs/dbraw/zinc/46/15/80/630461580.db2.gz IKTZZAMBOPRSOD-NORZTCDRSA-N 1 1 311.809 3.034 20 10 DGCDMO C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(Cl)cc1O ZINC000841750790 630461781 /nfs/dbraw/zinc/46/17/81/630461781.db2.gz BINRGFDGAZVIMJ-JTQLQIEISA-N 1 1 323.849 3.241 20 10 DGCDMO CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841753183 630462381 /nfs/dbraw/zinc/46/23/81/630462381.db2.gz KXCGXXMJSUOODM-CYBMUJFWSA-N 1 1 314.857 3.055 20 10 DGCDMO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841758050 630462839 /nfs/dbraw/zinc/46/28/39/630462839.db2.gz KBQQCFLOGYQXNT-TZMCWYRMSA-N 1 1 314.857 3.053 20 10 DGCDMO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841758047 630462959 /nfs/dbraw/zinc/46/29/59/630462959.db2.gz KBQQCFLOGYQXNT-OCCSQVGLSA-N 1 1 314.857 3.053 20 10 DGCDMO CO[C@@H](C[NH2+]Cc1cccc(Br)c1O)CC(C)C ZINC000841888990 630473444 /nfs/dbraw/zinc/47/34/44/630473444.db2.gz WEJHPQAKOGPEPX-GFCCVEGCSA-N 1 1 316.239 3.305 20 10 DGCDMO CO[C@H](CC(C)C)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000842151537 630499384 /nfs/dbraw/zinc/49/93/84/630499384.db2.gz CAIRSNLPGXEIHU-ZWKOTPCHSA-N 1 1 321.461 3.434 20 10 DGCDMO C[N@@H+](Cc1c(O)ccc2ccncc21)C[C@@](C)(O)c1ccccc1 ZINC000842622408 630554661 /nfs/dbraw/zinc/55/46/61/630554661.db2.gz AWCFAVREYLOIQC-HXUWFJFHSA-N 1 1 322.408 3.280 20 10 DGCDMO CCCN(CCC)c1ccc(CN(C)C2CC[NH2+]CC2)cc1 ZINC000843046137 630608060 /nfs/dbraw/zinc/60/80/60/630608060.db2.gz OGOYDGQGZZPAQT-UHFFFAOYSA-N 1 1 303.494 3.497 20 10 DGCDMO Oc1ccc(Cl)c(F)c1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000843048028 630608197 /nfs/dbraw/zinc/60/81/97/630608197.db2.gz JOJXUOCTUHQDSY-UONOGXRCSA-N 1 1 312.816 3.291 20 10 DGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCC[NH2+]C1 ZINC000843059924 630609938 /nfs/dbraw/zinc/60/99/38/630609938.db2.gz USRHHCHMNYRGSA-SFHVURJKSA-N 1 1 301.478 3.108 20 10 DGCDMO [NH3+]CCN(Cc1ccccc1)Cc1c(O)ccc(Cl)c1F ZINC000843059003 630610164 /nfs/dbraw/zinc/61/01/64/630610164.db2.gz BYQLBTYIWKKDTD-UHFFFAOYSA-N 1 1 308.784 3.146 20 10 DGCDMO CCOc1ccc(C[N@H+](CCC[NH3+])CC2CCCC2)c([O-])c1 ZINC000843123855 630615904 /nfs/dbraw/zinc/61/59/04/630615904.db2.gz QNRUHYZBWOVERC-UHFFFAOYSA-N 1 1 306.450 3.132 20 10 DGCDMO CCOc1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c([O-])c1 ZINC000843123855 630615906 /nfs/dbraw/zinc/61/59/06/630615906.db2.gz QNRUHYZBWOVERC-UHFFFAOYSA-N 1 1 306.450 3.132 20 10 DGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126299 630616698 /nfs/dbraw/zinc/61/66/98/630616698.db2.gz ICKNULNJBMIEQK-UONOGXRCSA-N 1 1 308.853 3.257 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000843430968 630657795 /nfs/dbraw/zinc/65/77/95/630657795.db2.gz KHAQNMGYMXGKKT-MRXNPFEDSA-N 1 1 302.462 3.452 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2sc(C)nc2C)cc1 ZINC000844401480 630724885 /nfs/dbraw/zinc/72/48/85/630724885.db2.gz OCQWLBOPOFOYRB-UHFFFAOYSA-N 1 1 319.474 3.337 20 10 DGCDMO C[C@@H](NCc1ccc(C[NH3+])cc1F)c1ccc(N(C)C)cc1 ZINC000844926414 630988034 /nfs/dbraw/zinc/98/80/34/630988034.db2.gz ZUXGVGJQPTYCJD-CYBMUJFWSA-N 1 1 301.409 3.201 20 10 DGCDMO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cccc(Br)c1O ZINC000846017135 631206249 /nfs/dbraw/zinc/20/62/49/631206249.db2.gz LJVPFQDTPUQZSJ-GXFFZTMASA-N 1 1 316.239 3.041 20 10 DGCDMO COc1cccc([C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)c1O ZINC000846142711 631211680 /nfs/dbraw/zinc/21/16/80/631211680.db2.gz CCCWKOMFITVRIE-CJNGLKHVSA-N 1 1 308.466 3.418 20 10 DGCDMO COc1cccc([C@H](C)[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)c1O ZINC000846155738 631212533 /nfs/dbraw/zinc/21/25/33/631212533.db2.gz CIDGVCYMGYGHQO-QWRGUYRKSA-N 1 1 304.394 3.054 20 10 DGCDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)[nH]1 ZINC000846167011 631213175 /nfs/dbraw/zinc/21/31/75/631213175.db2.gz QRPGHNGCGDBEKQ-SRVKXCTJSA-N 1 1 318.421 3.444 20 10 DGCDMO CC(C)[N@@H+](CCCc1cncn1C)Cc1ccc(N(C)C)cc1 ZINC000846776731 631302313 /nfs/dbraw/zinc/30/23/13/631302313.db2.gz WORCMLWMHRBRHF-UHFFFAOYSA-N 1 1 314.477 3.329 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nccc(N)n1 ZINC000846894082 631343966 /nfs/dbraw/zinc/34/39/66/631343966.db2.gz PQRRSJRCLJMILB-ZDUSSCGKSA-N 1 1 300.406 3.128 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1CC1CCCC1)[C@@H](O)CO2 ZINC000848505348 631671292 /nfs/dbraw/zinc/67/12/92/631671292.db2.gz IWISAMYOHHWDMJ-QAPCUYQASA-N 1 1 317.429 3.363 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848575018 631700184 /nfs/dbraw/zinc/70/01/84/631700184.db2.gz KSJJAOSNYFUUAW-UONOGXRCSA-N 1 1 312.816 3.291 20 10 DGCDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CC)c2O)C1 ZINC000848884652 631770491 /nfs/dbraw/zinc/77/04/91/631770491.db2.gz JCPWEKHDXGKBEJ-QGZVFWFLSA-N 1 1 318.461 3.083 20 10 DGCDMO CCc1cccc(C[N@@H+](C)[C@H](CO)c2ccc(OC)cc2)c1O ZINC000848887338 631771594 /nfs/dbraw/zinc/77/15/94/631771594.db2.gz UAEQPOKHUHCJFY-GOSISDBHSA-N 1 1 315.413 3.129 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000848888295 631773695 /nfs/dbraw/zinc/77/36/95/631773695.db2.gz RGQCKOIQXGLLSD-OAHLLOKOSA-N 1 1 305.418 3.118 20 10 DGCDMO CCc1cccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)c1O ZINC000848917477 631786551 /nfs/dbraw/zinc/78/65/51/631786551.db2.gz GXKQDNIJFCJNFU-JTQLQIEISA-N 1 1 320.414 3.049 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)cc1F ZINC000848925320 631789655 /nfs/dbraw/zinc/78/96/55/631789655.db2.gz SQQAWYJYNJEUSP-INIZCTEOSA-N 1 1 306.425 3.425 20 10 DGCDMO C[C@@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1 ZINC000848929670 631791954 /nfs/dbraw/zinc/79/19/54/631791954.db2.gz YDDOSLUMMUBSIY-LLVKDONJSA-N 1 1 316.367 3.117 20 10 DGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350533 631900354 /nfs/dbraw/zinc/90/03/54/631900354.db2.gz PHSNEZKGBNDTSC-CQSZACIVSA-N 1 1 308.853 3.257 20 10 DGCDMO [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350543 631901023 /nfs/dbraw/zinc/90/10/23/631901023.db2.gz PUNKVRWSFSMRFX-AWEZNQCLSA-N 1 1 308.853 3.257 20 10 DGCDMO [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350543 631901030 /nfs/dbraw/zinc/90/10/30/631901030.db2.gz PUNKVRWSFSMRFX-AWEZNQCLSA-N 1 1 308.853 3.257 20 10 DGCDMO COc1cc(CNCCC[NH+]2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850014048 632028398 /nfs/dbraw/zinc/02/83/98/632028398.db2.gz SHEICCHRDIXTEO-UHFFFAOYSA-N 1 1 320.477 3.274 20 10 DGCDMO Cc1cc(C)cc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000850366908 632127001 /nfs/dbraw/zinc/12/70/01/632127001.db2.gz NKUXGSCWCSFPOA-UHFFFAOYSA-N 1 1 323.484 3.345 20 10 DGCDMO c1cc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)cc2c1OCC2 ZINC000850382737 632134363 /nfs/dbraw/zinc/13/43/63/632134363.db2.gz VXEYEKGNZZHQIQ-KRWDZBQOSA-N 1 1 300.446 3.118 20 10 DGCDMO c1cc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)cc2c1OCC2 ZINC000850382737 632134367 /nfs/dbraw/zinc/13/43/67/632134367.db2.gz VXEYEKGNZZHQIQ-KRWDZBQOSA-N 1 1 300.446 3.118 20 10 DGCDMO COC[C@H](CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)OC ZINC000850485376 632167199 /nfs/dbraw/zinc/16/71/99/632167199.db2.gz GOWMLXSDYWSEOU-ZJUUUORDSA-N 1 1 322.232 3.401 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@]2(C)CC2(F)F)c1 ZINC000850535768 632185302 /nfs/dbraw/zinc/18/53/02/632185302.db2.gz BEXUXLAUHMKTKM-MEBBXXQBSA-N 1 1 313.344 3.265 20 10 DGCDMO CC(C)[N@@H+](CCO[C@H]1CC1(F)F)Cc1ccc(N(C)C)cc1 ZINC000851732257 632478164 /nfs/dbraw/zinc/47/81/64/632478164.db2.gz NCGSITARHDPFQH-INIZCTEOSA-N 1 1 312.404 3.387 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cc(C3CC3)no2)cc1 ZINC000852211874 632572225 /nfs/dbraw/zinc/57/22/25/632572225.db2.gz QFBCDUXHTGZLDW-UHFFFAOYSA-N 1 1 315.417 3.129 20 10 DGCDMO COCC(C)(C)[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000311120119 656172428 /nfs/dbraw/zinc/17/24/28/656172428.db2.gz UGLHPWNZUICFIT-UHFFFAOYSA-N 1 1 316.239 3.320 20 10 DGCDMO C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000186189686 660334955 /nfs/dbraw/zinc/33/49/55/660334955.db2.gz WWABCROATLMCJR-GTNSWQLSSA-N 1 1 307.340 3.229 20 10 DGCDMO CC(C)O[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000701727808 660681346 /nfs/dbraw/zinc/68/13/46/660681346.db2.gz GQMNIUREZQDDKB-GFCCVEGCSA-N 1 1 314.223 3.154 20 10 DGCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000701727808 660681348 /nfs/dbraw/zinc/68/13/48/660681348.db2.gz GQMNIUREZQDDKB-GFCCVEGCSA-N 1 1 314.223 3.154 20 10 DGCDMO COC(=O)C[N@H+](CCCCCF)Cc1cc(Cl)ccc1O ZINC000792869260 660990287 /nfs/dbraw/zinc/99/02/87/660990287.db2.gz BAVKXCUQOUDVBF-UHFFFAOYSA-N 1 1 317.788 3.160 20 10 DGCDMO COC(=O)C[N@@H+](CCCCCF)Cc1cc(Cl)ccc1O ZINC000792869260 660990289 /nfs/dbraw/zinc/99/02/89/660990289.db2.gz BAVKXCUQOUDVBF-UHFFFAOYSA-N 1 1 317.788 3.160 20 10 DGCDMO COc1ccc(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)c(O)c1 ZINC000793387602 661029170 /nfs/dbraw/zinc/02/91/70/661029170.db2.gz IIXAMLCTMLWABP-UHFFFAOYSA-N 1 1 309.369 3.081 20 10 DGCDMO Fc1cc(C[N@@H+](CC2CC2)C2CCC2)ccc1N1CCOCC1 ZINC000793396704 661029907 /nfs/dbraw/zinc/02/99/07/661029907.db2.gz YDSZWUPXAQJYKZ-UHFFFAOYSA-N 1 1 318.436 3.427 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1C(C)C ZINC000793743192 661055243 /nfs/dbraw/zinc/05/52/43/661055243.db2.gz HTTUDJNKGCXELA-LJQANCHMSA-N 1 1 302.462 3.352 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1C(C)C ZINC000793743192 661055245 /nfs/dbraw/zinc/05/52/45/661055245.db2.gz HTTUDJNKGCXELA-LJQANCHMSA-N 1 1 302.462 3.352 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C2CC2)O1 ZINC000794652141 661096334 /nfs/dbraw/zinc/09/63/34/661096334.db2.gz IEPWUUZXDXWZRQ-SJKOYZFVSA-N 1 1 319.445 3.395 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000794659147 661096601 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CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000157455464 659063718 /nfs/dbraw/zinc/06/37/18/659063718.db2.gz LGZYDIDSMBXWLL-MRXNPFEDSA-N 1 1 306.425 3.427 20 10 DGCDMO CC(C)C[C@@H]1CC(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC000174070314 659412320 /nfs/dbraw/zinc/41/23/20/659412320.db2.gz WXUUOLSNEWCWGX-QGZVFWFLSA-N 1 1 317.477 3.037 20 10 DGCDMO CC(C)C[C@@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC000174070314 659412321 /nfs/dbraw/zinc/41/23/21/659412321.db2.gz WXUUOLSNEWCWGX-QGZVFWFLSA-N 1 1 317.477 3.037 20 10 DGCDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(OC)ccc1O ZINC000179604624 659934925 /nfs/dbraw/zinc/93/49/25/659934925.db2.gz XNFVABWPUSXYRS-UHFFFAOYSA-N 1 1 315.369 3.152 20 10 DGCDMO Cc1cccc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000179926360 659947000 /nfs/dbraw/zinc/94/70/00/659947000.db2.gz VOWNGJABMUENQF-AWEZNQCLSA-N 1 1 320.433 3.047 20 10 DGCDMO OCC[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CCCc2ccccc21 ZINC000180153129 659953451 /nfs/dbraw/zinc/95/34/51/659953451.db2.gz 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CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC000110935846 1177875698 /nfs/dbraw/zinc/87/56/98/1177875698.db2.gz UIJFHALMSKLOCX-GFCCVEGCSA-N 1 1 303.233 3.273 20 10 DGCDMO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC000110935846 1177875709 /nfs/dbraw/zinc/87/57/09/1177875709.db2.gz UIJFHALMSKLOCX-GFCCVEGCSA-N 1 1 303.233 3.273 20 10 DGCDMO OCC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001331538996 1178240229 /nfs/dbraw/zinc/24/02/29/1178240229.db2.gz JBJVGCSTBVQUOU-KRWDZBQOSA-N 1 1 302.462 3.271 20 10 DGCDMO CCCC[N@@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1 ZINC001341537646 1179025128 /nfs/dbraw/zinc/02/51/28/1179025128.db2.gz HRQTWDRZVHCTCJ-UHFFFAOYSA-N 1 1 319.468 3.342 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)C[C@H]2C1 ZINC001343335253 1179257658 /nfs/dbraw/zinc/25/76/58/1179257658.db2.gz WLRVMTGTVHTLJN-BFHYXJOUSA-N 1 1 308.853 3.208 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3c([O-])cccc3Cl)C[C@H]2C1 ZINC001343335253 1179257663 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COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C2 ZINC001461375707 1182802233 /nfs/dbraw/zinc/80/22/33/1182802233.db2.gz CHYWSVMIJFZPSQ-OAHLLOKOSA-N 1 1 319.351 3.326 20 10 DGCDMO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C2 ZINC001461375706 1182803033 /nfs/dbraw/zinc/80/30/33/1182803033.db2.gz CHYWSVMIJFZPSQ-HNNXBMFYSA-N 1 1 319.351 3.326 20 10 DGCDMO CCn1c2ccccc2nc1C[NH2+]Cc1cc(F)c(F)cc1O ZINC001462062972 1182903315 /nfs/dbraw/zinc/90/33/15/1182903315.db2.gz MYPKAPZXDMSFKE-UHFFFAOYSA-N 1 1 317.339 3.330 20 10 DGCDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)c(F)cc1O ZINC001462143783 1182914552 /nfs/dbraw/zinc/91/45/52/1182914552.db2.gz AMXBTWLWDSNQBR-UHFFFAOYSA-N 1 1 322.311 3.253 20 10 DGCDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)c(F)cc1O ZINC001462143783 1182914555 /nfs/dbraw/zinc/91/45/55/1182914555.db2.gz AMXBTWLWDSNQBR-UHFFFAOYSA-N 1 1 322.311 3.253 20 10 DGCDMO OCC[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)c1ccccc1F ZINC001462368144 1182943741 /nfs/dbraw/zinc/94/37/41/1182943741.db2.gz GVIAJNINQUWOQP-OAHLLOKOSA-N 1 1 311.303 3.023 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2C[C@H]3CSC[C@@]3(C)C2)cc1 ZINC001462638735 1182978482 /nfs/dbraw/zinc/97/84/82/1182978482.db2.gz PFHGTRXCMMOLKI-HRMTXBTBSA-N 1 1 302.487 3.451 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2C[C@H]3CSC[C@@]3(C)C2)cc1 ZINC001462638739 1182978925 /nfs/dbraw/zinc/97/89/25/1182978925.db2.gz PFHGTRXCMMOLKI-IMBPEULASA-N 1 1 302.487 3.451 20 10 DGCDMO CCOC(=O)CC[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001473555759 1183773280 /nfs/dbraw/zinc/77/32/80/1183773280.db2.gz CTFODTAINHOIEP-UHFFFAOYSA-N 1 1 318.461 3.370 20 10 DGCDMO CN(C)c1ccc(/C=C/CNCC2(C[NH+](C)C)CCCC2)cc1 ZINC001474106273 1183869141 /nfs/dbraw/zinc/86/91/41/1183869141.db2.gz HYOWEBQEFPMYCH-BQYQJAHWSA-N 1 1 315.505 3.477 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc2[nH]c(=O)oc2c1 ZINC001474227339 1183885631 /nfs/dbraw/zinc/88/56/31/1183885631.db2.gz USPDXRZLDQPAFS-QMMMGPOBSA-N 1 1 320.295 3.368 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3cc(C)co3)CC2)cc1 ZINC001474329438 1183905084 /nfs/dbraw/zinc/90/50/84/1183905084.db2.gz LVRGWOCYWDSVCD-UHFFFAOYSA-N 1 1 300.402 3.309 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC001474361027 1183909810 /nfs/dbraw/zinc/90/98/10/1183909810.db2.gz JEOMNUPXXWZPEV-WAYWQWQTSA-N 1 1 300.446 3.411 20 10 DGCDMO CN1CC[N@@H+](Cc2ccc(Cl)cc2O)Cc2ccccc21 ZINC001474373149 1183911725 /nfs/dbraw/zinc/91/17/25/1183911725.db2.gz ZVTMJDNOMOIVSD-UHFFFAOYSA-N 1 1 302.805 3.498 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c(O)c1 ZINC001474644243 1183954462 /nfs/dbraw/zinc/95/44/62/1183954462.db2.gz MWRXACUBUDYNJT-UHFFFAOYSA-N 1 1 317.429 3.100 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC001474671118 1183958398 /nfs/dbraw/zinc/95/83/98/1183958398.db2.gz RLVLCDJSDFUKFI-ONGXEEELSA-N 1 1 301.814 3.370 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC001474671118 1183958401 /nfs/dbraw/zinc/95/84/01/1183958401.db2.gz RLVLCDJSDFUKFI-ONGXEEELSA-N 1 1 301.814 3.370 20 10 DGCDMO Oc1c(F)cccc1C[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC001474683271 1183960815 /nfs/dbraw/zinc/96/08/15/1183960815.db2.gz WTWYSZKXVQGZQC-QGZVFWFLSA-N 1 1 311.360 3.259 20 10 DGCDMO COc1cccc2c1CC[C@H]([NH2+]Cc1c(O)cccc1F)C2 ZINC001474716426 1183968281 /nfs/dbraw/zinc/96/82/81/1183968281.db2.gz MMEPZRSCFBFXPP-ZDUSSCGKSA-N 1 1 301.361 3.187 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@@H]2C[C@H]2C2CCCC2)ccc1[N+](=O)[O-] ZINC001474755267 1183973774 /nfs/dbraw/zinc/97/37/74/1183973774.db2.gz ISHUAJQLJLPVIX-KBPBESRZSA-N 1 1 320.389 3.225 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)ccc1N1CCCCC1 ZINC001616825179 1193548611 /nfs/dbraw/zinc/54/86/11/1193548611.db2.gz XTHRXWPZDQKUFX-BEFAXECRSA-N 1 1 302.462 3.188 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nc2ccccc2n1C ZINC001560348917 1189316083 /nfs/dbraw/zinc/31/60/83/1189316083.db2.gz QPCFHCWFUZAZLQ-JTQLQIEISA-N 1 1 317.339 3.408 20 10 DGCDMO COC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc(F)cc1 ZINC001560355358 1189317264 /nfs/dbraw/zinc/31/72/64/1189317264.db2.gz WXABIEGASYSUFU-HNNXBMFYSA-N 1 1 311.303 3.287 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC001560648614 1189356041 /nfs/dbraw/zinc/35/60/41/1189356041.db2.gz RDLCEWUQEPJHOW-UHFFFAOYSA-N 1 1 318.367 3.383 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC001560648614 1189356046 /nfs/dbraw/zinc/35/60/46/1189356046.db2.gz RDLCEWUQEPJHOW-UHFFFAOYSA-N 1 1 318.367 3.383 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c(O)c1 ZINC001560697040 1189361554 /nfs/dbraw/zinc/36/15/54/1189361554.db2.gz KWQGQTBLLKKOPK-AWEZNQCLSA-N 1 1 315.413 3.478 20 10 DGCDMO CC(C)C[N@@H+](Cc1cc(F)ccc1[O-])CC1CC[NH+](C)CC1 ZINC001560979413 1189414745 /nfs/dbraw/zinc/41/47/45/1189414745.db2.gz IDCSRRWQRVYCEL-UHFFFAOYSA-N 1 1 308.441 3.331 20 10 DGCDMO CC(C)C[N@H+](Cc1cc(F)ccc1[O-])CC1CC[NH+](C)CC1 ZINC001560979413 1189414747 /nfs/dbraw/zinc/41/47/47/1189414747.db2.gz IDCSRRWQRVYCEL-UHFFFAOYSA-N 1 1 308.441 3.331 20 10 DGCDMO Cc1cc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)ccc1N(C)C ZINC001620461630 1193771489 /nfs/dbraw/zinc/77/14/89/1193771489.db2.gz ZHSBRRMQGFWVRR-UHFFFAOYSA-N 1 1 312.461 3.369 20 10 DGCDMO COc1cc(C)cc(CN2CC[N@@H+](C)Cc3ccccc32)c1O ZINC001621352174 1193832196 /nfs/dbraw/zinc/83/21/96/1193832196.db2.gz HLTPUJIQQVLKEJ-UHFFFAOYSA-N 1 1 312.413 3.161 20 10 DGCDMO [O-]c1cc(Cl)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001621460488 1193845069 /nfs/dbraw/zinc/84/50/69/1193845069.db2.gz QWJUYFKRCIHLCH-CQSZACIVSA-N 1 1 308.853 3.257 20 10 DGCDMO CCOC(=O)[C@@]1(F)C[N@@H+](Cc2cccc(CC)c2O)C[C@@H]1CC ZINC001621522317 1193853901 /nfs/dbraw/zinc/85/39/01/1193853901.db2.gz YCIBTXBPNYIWEM-MAUKXSAKSA-N 1 1 323.408 3.068 20 10 DGCDMO CCc1c[nH]c2nc[nH+]c(N(C)Cc3ccc(N(C)C)cc3)c12 ZINC001639188606 1194754586 /nfs/dbraw/zinc/75/45/86/1194754586.db2.gz HCXAJJNVDYNCAF-UHFFFAOYSA-N 1 1 309.417 3.223 20 10 DGCDMO CC[N@@H+](CCOC1CC1)Cc1cc(Br)ccc1O ZINC001641892595 1194877939 /nfs/dbraw/zinc/87/79/39/1194877939.db2.gz JCJUQKBFHYOSJL-UHFFFAOYSA-N 1 1 314.223 3.156 20 10 DGCDMO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)Oc1ccc(F)cc1 ZINC001647029521 1195240646 /nfs/dbraw/zinc/24/06/46/1195240646.db2.gz FPMHBRJDKFEBMH-JTQLQIEISA-N 1 1 311.303 3.367 20 10 DGCDMO C[C@@H](C[NH+]1CCC(C)CC1)NCc1ccc2c(c1)CCCO2 ZINC001651325892 1195443861 /nfs/dbraw/zinc/44/38/61/1195443861.db2.gz WSHYLPKMWDQGHN-INIZCTEOSA-N 1 1 302.462 3.222 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(O)c1 ZINC001651826126 1195514028 /nfs/dbraw/zinc/51/40/28/1195514028.db2.gz OTLNSTYDEZPENU-UHFFFAOYSA-N 1 1 316.357 3.249 20 10 DGCDMO Cc1noc(-c2ccc(C[NH2+]Cc3cccc(F)c3O)cc2)n1 ZINC001652124676 1195550196 /nfs/dbraw/zinc/55/01/96/1195550196.db2.gz YBCJDTRTEGTUEW-UHFFFAOYSA-N 1 1 313.332 3.180 20 10 DGCDMO CCOC(=O)C[N@@H+](Cc1ccccc1O)CC12CCC(CC1)C2 ZINC001653969666 1195763933 /nfs/dbraw/zinc/76/39/33/1195763933.db2.gz GNQSWSCDEBDONO-UHFFFAOYSA-N 1 1 317.429 3.338 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)CCCc2cccnc2)cc1 ZINC001654113781 1195775940 /nfs/dbraw/zinc/77/59/40/1195775940.db2.gz ARKNODOJRRFQBZ-UHFFFAOYSA-N 1 1 313.445 3.091 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2c(C)nsc2C)cc1 ZINC001654947708 1195857749 /nfs/dbraw/zinc/85/77/49/1195857749.db2.gz PARVFXUFXQGOBS-UHFFFAOYSA-N 1 1 319.474 3.337 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]C2CCSCC2)c1 ZINC001655571613 1195934062 /nfs/dbraw/zinc/93/40/62/1195934062.db2.gz POKBGSZSGXFRNG-UHFFFAOYSA-N 1 1 316.264 3.448 20 10 DGCDMO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C(C)C ZINC001656291409 1196027258 /nfs/dbraw/zinc/02/72/58/1196027258.db2.gz DLXDRLDMQZDIRH-ZFWWWQNUSA-N 1 1 301.377 3.049 20 10 DGCDMO CCN(CC)c1ccc(CNCC[NH+]2CCC(C)CC2)cc1F ZINC001656766582 1196069974 /nfs/dbraw/zinc/06/99/74/1196069974.db2.gz QMYPURJQGBLIQF-UHFFFAOYSA-N 1 1 321.484 3.493 20 10 DGCDMO C[C@@H]1Cc2ccccc2N1CC[NH2+]Cc1cc(F)cc(F)c1O ZINC001656980025 1196089239 /nfs/dbraw/zinc/08/92/39/1196089239.db2.gz BNRGHDBIMXFNPM-GFCCVEGCSA-N 1 1 318.367 3.211 20 10 DGCDMO CCOCc1cc(C[NH2+]Cc2cc(CC)no2)ccc1OC ZINC001657279005 1196126535 /nfs/dbraw/zinc/12/65/35/1196126535.db2.gz IKPUSWQUSYCBFU-UHFFFAOYSA-N 1 1 304.390 3.072 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)c(O)c1 ZINC001657354270 1196132653 /nfs/dbraw/zinc/13/26/53/1196132653.db2.gz OJUXDRXZEAKCTN-GOSISDBHSA-N 1 1 324.424 3.095 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001657816412 1196180252 /nfs/dbraw/zinc/18/02/52/1196180252.db2.gz NPWITTVJZBLSID-OAHLLOKOSA-N 1 1 320.433 3.190 20 10 DGCDMO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC001658058843 1196207781 /nfs/dbraw/zinc/20/77/81/1196207781.db2.gz CEELVNOUCTZHCZ-UHFFFAOYSA-N 1 1 308.429 3.387 20 10 DGCDMO Oc1c(F)cccc1C[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC001658121101 1196213759 /nfs/dbraw/zinc/21/37/59/1196213759.db2.gz RUVSJMXHNYSJCM-UHFFFAOYSA-N 1 1 315.323 3.146 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@@H+](CCO)C2CCCCC2)cc1 ZINC001658205283 1196225416 /nfs/dbraw/zinc/22/54/16/1196225416.db2.gz GSJJFPSANDUVBM-SREVYHEPSA-N 1 1 302.462 3.393 20 10 DGCDMO Cc1cc(O)c(CN2CC[N@H+](C3CC3)C[C@H](C)C2)cc1Cl ZINC001658217830 1196225656 /nfs/dbraw/zinc/22/56/56/1196225656.db2.gz RDLNMDMMVBJYFZ-GFCCVEGCSA-N 1 1 308.853 3.270 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCN(C3CC3)C[C@H](C)C2)cc1Cl ZINC001658217830 1196225662 /nfs/dbraw/zinc/22/56/62/1196225662.db2.gz RDLNMDMMVBJYFZ-GFCCVEGCSA-N 1 1 308.853 3.270 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCN(C3CC3)C[C@H](C)C2)cc1Cl ZINC001658217830 1196225666 /nfs/dbraw/zinc/22/56/66/1196225666.db2.gz RDLNMDMMVBJYFZ-GFCCVEGCSA-N 1 1 308.853 3.270 20 10 DGCDMO CC[C@@H]1CCC[N@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001658219262 1196226660 /nfs/dbraw/zinc/22/66/60/1196226660.db2.gz VPZDYWFGZNWFQH-CYBMUJFWSA-N 1 1 318.392 3.478 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]CCCC3CCC3)cc2)CC1 ZINC001658308413 1196239019 /nfs/dbraw/zinc/23/90/19/1196239019.db2.gz DHEUXDKYSPUIRD-UHFFFAOYSA-N 1 1 301.478 3.108 20 10 DGCDMO CNC(=O)c1ccc(C[N@@H+](Cc2ccc(C)cc2O)C2CC2)cc1 ZINC001658475266 1196262551 /nfs/dbraw/zinc/26/25/51/1196262551.db2.gz JPFGBXUJKKOZMS-UHFFFAOYSA-N 1 1 324.424 3.225 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC001658577840 1196275969 /nfs/dbraw/zinc/27/59/69/1196275969.db2.gz RGDORKHJYVDHRM-QGZVFWFLSA-N 1 1 319.445 3.491 20 10 DGCDMO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)C1(C)C ZINC001658693057 1196289588 /nfs/dbraw/zinc/28/95/88/1196289588.db2.gz JDDFDYLAPGHBIE-ZIAGYGMSSA-N 1 1 311.809 3.151 20 10 DGCDMO Cc1nnsc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001659719170 1196407698 /nfs/dbraw/zinc/40/76/98/1196407698.db2.gz DANIEIPRIRUWPV-UHFFFAOYSA-N 1 1 302.447 3.079 20 10 DGCDMO Cc1nnsc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001659719170 1196407700 /nfs/dbraw/zinc/40/77/00/1196407700.db2.gz DANIEIPRIRUWPV-UHFFFAOYSA-N 1 1 302.447 3.079 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)c1ccc2[nH]c(=O)oc2c1 ZINC001659766585 1196413199 /nfs/dbraw/zinc/41/31/99/1196413199.db2.gz MHCXFMJSHXRWGV-MRVPVSSYSA-N 1 1 320.295 3.368 20 10 DGCDMO CCOC(=O)CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C(C)C ZINC001660144265 1196450814 /nfs/dbraw/zinc/45/08/14/1196450814.db2.gz DOFJKOSFTNLPCR-UHFFFAOYSA-N 1 1 317.788 3.348 20 10 DGCDMO CC(C)C1(O)CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001660214634 1196458111 /nfs/dbraw/zinc/45/81/11/1196458111.db2.gz DLOVSOJXYIPETI-UHFFFAOYSA-N 1 1 312.404 3.014 20 10 DGCDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001660380449 1196476963 /nfs/dbraw/zinc/47/69/63/1196476963.db2.gz PYIODNQLUBCNSQ-MRXNPFEDSA-N 1 1 318.461 3.252 20 10 DGCDMO O=c1[nH]c2cc(C[NH2+]Cc3cc(Cl)c(F)cc3O)ccc2o1 ZINC001660657940 1196509317 /nfs/dbraw/zinc/50/93/17/1196509317.db2.gz UKXHCMXOBNQMMO-UHFFFAOYSA-N 1 1 322.723 3.321 20 10 DGCDMO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC001660842989 1196534009 /nfs/dbraw/zinc/53/40/09/1196534009.db2.gz WLDWWBAXBAXHAK-UHFFFAOYSA-N 1 1 320.339 3.016 20 10 DGCDMO C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC001660944789 1196544415 /nfs/dbraw/zinc/54/44/15/1196544415.db2.gz JDSQYVLLPBTTIV-BETUJISGSA-N 1 1 312.404 3.128 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC001662487738 1196725366 /nfs/dbraw/zinc/72/53/66/1196725366.db2.gz ACWOSCDBZVRQNG-UHFFFAOYSA-N 1 1 318.245 3.374 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CCCCC1 ZINC001662705209 1196742008 /nfs/dbraw/zinc/74/20/08/1196742008.db2.gz ARAKLLZJYNOJPL-QGZVFWFLSA-N 1 1 315.505 3.497 20 10 DGCDMO CN(C)c1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1F ZINC001662888255 1196768355 /nfs/dbraw/zinc/76/83/55/1196768355.db2.gz GRJAXFXMZWSWPZ-KRWDZBQOSA-N 1 1 319.468 3.388 20 10 DGCDMO CN(C)c1ccc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)cc1F ZINC001662888255 1196768361 /nfs/dbraw/zinc/76/83/61/1196768361.db2.gz GRJAXFXMZWSWPZ-KRWDZBQOSA-N 1 1 319.468 3.388 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+](Cc1ccccc1)[C@H](C)CO ZINC001663562422 1196905539 /nfs/dbraw/zinc/90/55/39/1196905539.db2.gz RGTBMGBWRXDARR-QGZVFWFLSA-N 1 1 312.457 3.444 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)n2)c(O)c1 ZINC001663623693 1196916481 /nfs/dbraw/zinc/91/64/81/1196916481.db2.gz OLSGKDLSHIAZSP-KRWDZBQOSA-N 1 1 311.429 3.481 20 10 DGCDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1c(C)cc(OC)cc1O ZINC001663747976 1196939256 /nfs/dbraw/zinc/93/92/56/1196939256.db2.gz HKKNQVWEIWTWSU-UHFFFAOYSA-N 1 1 319.401 3.259 20 10 DGCDMO C[C@H]1SCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@@H]1C ZINC001663888405 1196955006 /nfs/dbraw/zinc/95/50/06/1196955006.db2.gz CTPCTMCGNOINSB-GHMZBOCLSA-N 1 1 300.418 3.357 20 10 DGCDMO C[C@H]1SCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)[C@@H]1C ZINC001663888405 1196955009 /nfs/dbraw/zinc/95/50/09/1196955009.db2.gz CTPCTMCGNOINSB-GHMZBOCLSA-N 1 1 300.418 3.357 20 10 DGCDMO Oc1cc(Cl)ccc1C[NH2+]Cc1nc(-c2ccccc2)no1 ZINC001664205648 1196980216 /nfs/dbraw/zinc/98/02/16/1196980216.db2.gz WLXAWTPBYPKGRJ-UHFFFAOYSA-N 1 1 315.760 3.385 20 10 DGCDMO CC(C)CN1CC[N@H+](Cc2cc(C(C)C)ccc2O)[C@H](C)C1=O ZINC001664403057 1196994875 /nfs/dbraw/zinc/99/48/75/1196994875.db2.gz ASWMNSJICCDJCI-OAHLLOKOSA-N 1 1 318.461 3.204 20 10 DGCDMO CC(C)CN1CC[N@@H+](Cc2cc(C(C)C)ccc2O)[C@H](C)C1=O ZINC001664403057 1196994877 /nfs/dbraw/zinc/99/48/77/1196994877.db2.gz ASWMNSJICCDJCI-OAHLLOKOSA-N 1 1 318.461 3.204 20 10 DGCDMO Oc1c(F)cccc1C[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC001664772278 1197055030 /nfs/dbraw/zinc/05/50/30/1197055030.db2.gz XKTRGQYCZINWTB-UHFFFAOYSA-N 1 1 313.731 3.492 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)C[C@H](O)Cc2ccccc2)cc1 ZINC001664873493 1197073774 /nfs/dbraw/zinc/07/37/74/1197073774.db2.gz SFOVIAOKPIRQGC-TYOLEZHBSA-N 1 1 324.468 3.301 20 10 DGCDMO COC1C[NH+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC001664945428 1197080538 /nfs/dbraw/zinc/08/05/38/1197080538.db2.gz ZCVOOAUXDACWJM-UHFFFAOYSA-N 1 1 302.443 3.215 20 10 DGCDMO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c(O)c1 ZINC000245803176 1203693991 /nfs/dbraw/zinc/69/39/91/1203693991.db2.gz YCVIYPXRRZABEJ-KBXCAEBGSA-N 1 1 313.397 3.363 20 10 DGCDMO COc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c(O)c1 ZINC000245803176 1203693992 /nfs/dbraw/zinc/69/39/92/1203693992.db2.gz YCVIYPXRRZABEJ-KBXCAEBGSA-N 1 1 313.397 3.363 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C2CCOCC2)c1 ZINC001236674103 1099737207 /nfs/dbraw/zinc/73/72/07/1099737207.db2.gz TXSUELXBLXCEES-UHFFFAOYSA-N 1 1 314.223 3.074 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)C2CCOCC2)c1 ZINC001236674103 1099737216 /nfs/dbraw/zinc/73/72/16/1099737216.db2.gz TXSUELXBLXCEES-UHFFFAOYSA-N 1 1 314.223 3.074 20 10 DGCDMO C[N@H+](Cc1cccc(O)c1)Cc1c(O)cccc1Br ZINC001140098920 1081837999 /nfs/dbraw/zinc/83/79/99/1081837999.db2.gz SPTGHVJKHPFYGK-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO C[N@@H+](Cc1cccc(O)c1)Cc1c(O)cccc1Br ZINC001140098920 1081838003 /nfs/dbraw/zinc/83/80/03/1081838003.db2.gz SPTGHVJKHPFYGK-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO CN1CCN(c2ccc(CNc3cc[nH+]c(C4CC4)c3)cc2)CC1 ZINC001167437606 1082123783 /nfs/dbraw/zinc/12/37/83/1082123783.db2.gz UZIXCKFZJLQAJR-UHFFFAOYSA-N 1 1 322.456 3.323 20 10 DGCDMO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)C1(C)C ZINC001167491013 1082287395 /nfs/dbraw/zinc/28/73/95/1082287395.db2.gz KJKUOQXQQGBWBY-YJBOKZPZSA-N 1 1 323.408 3.369 20 10 DGCDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2O)C1(C)C ZINC001167491013 1082287402 /nfs/dbraw/zinc/28/74/02/1082287402.db2.gz KJKUOQXQQGBWBY-YJBOKZPZSA-N 1 1 323.408 3.369 20 10 DGCDMO C[N@@H+](Cc1cc(F)c(F)cc1[O-])C[C@](C)(O)c1ccccc1 ZINC001182497777 1083734398 /nfs/dbraw/zinc/73/43/98/1083734398.db2.gz DRJWAKOJNQDPGC-KRWDZBQOSA-N 1 1 307.340 3.010 20 10 DGCDMO C[N@H+](Cc1cc(F)c(F)cc1O)C[C@](C)(O)c1ccccc1 ZINC001182497777 1083734408 /nfs/dbraw/zinc/73/44/08/1083734408.db2.gz DRJWAKOJNQDPGC-KRWDZBQOSA-N 1 1 307.340 3.010 20 10 DGCDMO C[N@@H+](Cc1cc(F)c(F)cc1O)C[C@](C)(O)c1ccccc1 ZINC001182497777 1083734419 /nfs/dbraw/zinc/73/44/19/1083734419.db2.gz DRJWAKOJNQDPGC-KRWDZBQOSA-N 1 1 307.340 3.010 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCN(C)c3ncccc3C2)c(Cl)c1 ZINC001183483561 1083956481 /nfs/dbraw/zinc/95/64/81/1083956481.db2.gz YTDVVPASLYRLSF-UHFFFAOYSA-N 1 1 317.820 3.201 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCN(C)c3ncccc3C2)c(Cl)c1 ZINC001183483561 1083956488 /nfs/dbraw/zinc/95/64/88/1083956488.db2.gz YTDVVPASLYRLSF-UHFFFAOYSA-N 1 1 317.820 3.201 20 10 DGCDMO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001183533937 1083973241 /nfs/dbraw/zinc/97/32/41/1083973241.db2.gz NWMVEXMATYORIP-HLIPFELVSA-N 1 1 315.505 3.353 20 10 DGCDMO COC(=O)C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(C)(C)C ZINC001184012545 1084089317 /nfs/dbraw/zinc/08/93/17/1084089317.db2.gz NCWYIKBBMOYRMS-LBPRGKRZSA-N 1 1 317.788 3.252 20 10 DGCDMO COc1ccc(CN2CCCC[C@@H]2CC[NH+]2CCCC2)c(O)c1 ZINC001203630797 1084565532 /nfs/dbraw/zinc/56/55/32/1084565532.db2.gz VNLDBCBVAQSCRN-QGZVFWFLSA-N 1 1 318.461 3.241 20 10 DGCDMO CC(=O)OCc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)o1 ZINC001141794012 1086438775 /nfs/dbraw/zinc/43/87/75/1086438775.db2.gz QWMRCIGPSQSBHP-UHFFFAOYSA-N 1 1 316.401 3.041 20 10 DGCDMO COc1cccc(CC[N@H+](C)Cc2cc(F)c(F)cc2O)c1 ZINC001142525100 1087277365 /nfs/dbraw/zinc/27/73/65/1087277365.db2.gz XIBQHIHBAVKHAQ-UHFFFAOYSA-N 1 1 307.340 3.354 20 10 DGCDMO COc1cccc(CC[N@@H+](C)Cc2cc(F)c(F)cc2O)c1 ZINC001142525100 1087277373 /nfs/dbraw/zinc/27/73/73/1087277373.db2.gz XIBQHIHBAVKHAQ-UHFFFAOYSA-N 1 1 307.340 3.354 20 10 DGCDMO c1cc(N2CCCC2)ccc1CNC1CC[NH+](CC2CC2)CC1 ZINC001168353824 1087305920 /nfs/dbraw/zinc/30/59/20/1087305920.db2.gz VYRMRVGMOFZKOC-UHFFFAOYSA-N 1 1 313.489 3.251 20 10 DGCDMO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)N1CCc2ccccc21 ZINC001648999065 1087322806 /nfs/dbraw/zinc/32/28/06/1087322806.db2.gz KPCBJFVESMTHKP-LBPRGKRZSA-N 1 1 318.367 3.211 20 10 DGCDMO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001142590633 1087373088 /nfs/dbraw/zinc/37/30/88/1087373088.db2.gz JUUCPSVKUODELM-GOSISDBHSA-N 1 1 318.461 3.089 20 10 DGCDMO CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCCC[C@@H](C[NH3+])C3)ccc2O1 ZINC001206649828 1088352725 /nfs/dbraw/zinc/35/27/25/1088352725.db2.gz ZQVHKOOORKTEBA-AWEZNQCLSA-N 1 1 316.445 3.137 20 10 DGCDMO CC1(C)C=Cc2c([O-])c(C[N@H+]3CCCC[C@@H](C[NH3+])C3)ccc2O1 ZINC001206649828 1088352739 /nfs/dbraw/zinc/35/27/39/1088352739.db2.gz ZQVHKOOORKTEBA-AWEZNQCLSA-N 1 1 316.445 3.137 20 10 DGCDMO CCN(Cc1ccccc1O)c1nc(N2CCCCC2)cc[nH+]1 ZINC001154888993 1088811613 /nfs/dbraw/zinc/81/16/13/1088811613.db2.gz NUCUBIAHQJBWNY-UHFFFAOYSA-N 1 1 312.417 3.199 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246205631 1089833795 /nfs/dbraw/zinc/83/37/95/1089833795.db2.gz BJYYYHBNPXDUSD-GUYCJALGSA-N 1 1 319.445 3.396 20 10 DGCDMO CCOc1ccc(N2CC[NH+](Cc3ccc(C)o3)CC2)cc1 ZINC001203300661 1090715974 /nfs/dbraw/zinc/71/59/74/1090715974.db2.gz PUAPOWVZARPMMD-UHFFFAOYSA-N 1 1 300.402 3.309 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001203551568 1090754549 /nfs/dbraw/zinc/75/45/49/1090754549.db2.gz JCROBMBEPDYJKF-HNNXBMFYSA-N 1 1 320.433 3.224 20 10 DGCDMO COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC001203558510 1090755358 /nfs/dbraw/zinc/75/53/58/1090755358.db2.gz LKUULAHUOYZDKQ-HNNXBMFYSA-N 1 1 313.397 3.346 20 10 DGCDMO Oc1ccccc1C[NH+](Cc1cccnc1)Cc1cccnc1 ZINC001203556608 1090755441 /nfs/dbraw/zinc/75/54/41/1090755441.db2.gz RCYOFWMJGMIUGE-UHFFFAOYSA-N 1 1 305.381 3.385 20 10 DGCDMO CCCCCCN1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC001203595503 1090764602 /nfs/dbraw/zinc/76/46/02/1090764602.db2.gz GCLHZTYXUPLDJY-UHFFFAOYSA-N 1 1 306.450 3.099 20 10 DGCDMO COc1cccc([C@H]2CC[N@@H+](Cc3cccc(OC)c3O)C2)c1 ZINC001203601768 1090765774 /nfs/dbraw/zinc/76/57/74/1090765774.db2.gz KNFFTPYSJKZVCF-HNNXBMFYSA-N 1 1 313.397 3.399 20 10 DGCDMO CCOc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3(COC)C2)c1O ZINC001203608604 1090766332 /nfs/dbraw/zinc/76/63/32/1090766332.db2.gz WATGVZHONDRIDU-QAPCUYQASA-N 1 1 305.418 3.039 20 10 DGCDMO COc1ccc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)c(O)c1 ZINC001203635400 1090770191 /nfs/dbraw/zinc/77/01/91/1090770191.db2.gz SLORUGPHDPWEBN-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO COc1ccc(C[N@H+]2CCc3cc(F)c(F)cc3C2)c(O)c1 ZINC001203635400 1090770193 /nfs/dbraw/zinc/77/01/93/1090770193.db2.gz SLORUGPHDPWEBN-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO COc1ccc(C[N@@H+](C2CCCC2)C2CCN(C)CC2)c(O)c1 ZINC001203635025 1090770308 /nfs/dbraw/zinc/77/03/08/1090770308.db2.gz GOUGLVZPZZBNPM-UHFFFAOYSA-N 1 1 318.461 3.240 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@H](C(=O)c3ccccc3)C2)c(O)c1 ZINC001203634365 1090770353 /nfs/dbraw/zinc/77/03/53/1090770353.db2.gz BJIAQJBHPGBBNQ-INIZCTEOSA-N 1 1 311.381 3.106 20 10 DGCDMO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(Cl)ccc1O ZINC001203664856 1090775167 /nfs/dbraw/zinc/77/51/67/1090775167.db2.gz ZYWCKNBJEBMFEG-PJODQICGSA-N 1 1 323.820 3.209 20 10 DGCDMO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(Cl)ccc1O ZINC001203664856 1090775174 /nfs/dbraw/zinc/77/51/74/1090775174.db2.gz ZYWCKNBJEBMFEG-PJODQICGSA-N 1 1 323.820 3.209 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001203664752 1090775269 /nfs/dbraw/zinc/77/52/69/1090775269.db2.gz UUSOMVLPIVUYIY-QGZVFWFLSA-N 1 1 317.816 3.489 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001203664752 1090775272 /nfs/dbraw/zinc/77/52/72/1090775272.db2.gz UUSOMVLPIVUYIY-QGZVFWFLSA-N 1 1 317.816 3.489 20 10 DGCDMO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665631 1090775807 /nfs/dbraw/zinc/77/58/07/1090775807.db2.gz QIAOPXBWGJQPOD-LBPRGKRZSA-N 1 1 311.809 3.211 20 10 DGCDMO Oc1ccc(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)cc1O ZINC001203882787 1090826253 /nfs/dbraw/zinc/82/62/53/1090826253.db2.gz VMGJCESDWYLFGV-HNNXBMFYSA-N 1 1 316.426 3.250 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@](F)(CO)CC2)cc1 ZINC001203940732 1090844285 /nfs/dbraw/zinc/84/42/85/1090844285.db2.gz XUEGAODGRKHMJV-GOSISDBHSA-N 1 1 308.441 3.219 20 10 DGCDMO Cc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203936900 1090844843 /nfs/dbraw/zinc/84/48/43/1090844843.db2.gz QNQKJQSNEKUFPW-GOSISDBHSA-N 1 1 311.429 3.109 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C(=O)OC)[C@@H]2C)cc1 ZINC001203942413 1090845831 /nfs/dbraw/zinc/84/58/31/1090845831.db2.gz PMUUKCZFBIDTRU-MAUKXSAKSA-N 1 1 318.461 3.306 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cc1 ZINC001203942888 1090845880 /nfs/dbraw/zinc/84/58/80/1090845880.db2.gz XGQCKPFKKALNOP-SEXKYXSUSA-N 1 1 300.446 3.142 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@H]([N@@H+](C)C(C)C)C2)cc1 ZINC001203946821 1090847922 /nfs/dbraw/zinc/84/79/22/1090847922.db2.gz XPIUZTOHAKZUHW-IBGZPJMESA-N 1 1 303.494 3.447 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C(=O)OC)CC2)cc1 ZINC001203946064 1090848750 /nfs/dbraw/zinc/84/87/50/1090848750.db2.gz SNHUXCGOJUNPGK-QGZVFWFLSA-N 1 1 318.461 3.308 20 10 DGCDMO COc1ccc(N2CC[NH+](Cc3ccsc3)CC2)c(OC)c1 ZINC001204044624 1090881487 /nfs/dbraw/zinc/88/14/87/1090881487.db2.gz MQMOCIYBSJYVKD-UHFFFAOYSA-N 1 1 318.442 3.088 20 10 DGCDMO CCOc1ccc(N2CC[NH+](Cc3cccc(C)n3)CC2)cc1 ZINC001204070052 1090890019 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DGCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@H](N(C)C)C2)c2ccccc21 ZINC001204240743 1090932973 /nfs/dbraw/zinc/93/29/73/1090932973.db2.gz CNRYQDYZZBHANE-KRWDZBQOSA-N 1 1 311.473 3.432 20 10 DGCDMO CN(C)c1ccc(CN2CCC[C@H]([NH+](C)C)C2)c2ccccc21 ZINC001204240743 1090932978 /nfs/dbraw/zinc/93/29/78/1090932978.db2.gz CNRYQDYZZBHANE-KRWDZBQOSA-N 1 1 311.473 3.432 20 10 DGCDMO CN(C)c1ccc(CN2[C@@H]3CC[C@H]2C[N@H+](C)C3)c2ccccc21 ZINC001204243346 1090934077 /nfs/dbraw/zinc/93/40/77/1090934077.db2.gz XVPSXENSSDFAIV-CALCHBBNSA-N 1 1 309.457 3.184 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CN(C)C3)c2ccccc21 ZINC001204243346 1090934082 /nfs/dbraw/zinc/93/40/82/1090934082.db2.gz XVPSXENSSDFAIV-CALCHBBNSA-N 1 1 309.457 3.184 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CN(C)C3)c2ccccc21 ZINC001204243346 1090934090 /nfs/dbraw/zinc/93/40/90/1090934090.db2.gz XVPSXENSSDFAIV-CALCHBBNSA-N 1 1 309.457 3.184 20 10 DGCDMO CCOC(=O)CC[N@@H+](C)Cc1ccc(N(C)C)c2ccccc12 ZINC001204243339 1090934183 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C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)CC1OCCO1 ZINC000180217724 526088884 /nfs/dbraw/zinc/08/88/84/526088884.db2.gz RPKJHQDOBZBAJH-HNNXBMFYSA-N 1 1 313.397 3.328 20 10 DGCDMO Cc1cc(Br)cc(C[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000124587686 526157272 /nfs/dbraw/zinc/15/72/72/526157272.db2.gz FAZXQVLMORVKFC-NSHDSACASA-N 1 1 314.223 3.074 20 10 DGCDMO Oc1cccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000160197373 526359341 /nfs/dbraw/zinc/35/93/41/526359341.db2.gz ARYNENKDJRKSRG-GOSISDBHSA-N 1 1 313.397 3.279 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC000152794348 527207622 /nfs/dbraw/zinc/20/76/22/527207622.db2.gz VWXZSFORUWKEPP-MLGOLLRUSA-N 1 1 323.820 3.249 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC000152794348 527207630 /nfs/dbraw/zinc/20/76/30/527207630.db2.gz VWXZSFORUWKEPP-MLGOLLRUSA-N 1 1 323.820 3.249 20 10 DGCDMO Cc1ncsc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160201565 527500874 /nfs/dbraw/zinc/50/08/74/527500874.db2.gz 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ZINC000733299842 574613725 /nfs/dbraw/zinc/61/37/25/574613725.db2.gz OXKGQNYFLYHLOP-UHFFFAOYSA-N 1 1 319.788 3.449 20 10 DGCDMO C[C@@H]1CCC[C@@](CNCc2ccc(N(C)C)c(F)c2)([NH+](C)C)C1 ZINC000733325813 574615778 /nfs/dbraw/zinc/61/57/78/574615778.db2.gz YOMMPPHEWJDVPK-DNVCBOLYSA-N 1 1 321.484 3.492 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NC2CCCC2)cc1 ZINC000741676631 574966395 /nfs/dbraw/zinc/96/63/95/574966395.db2.gz MXFCYEWBJRSQLM-UHFFFAOYSA-N 1 1 317.477 3.023 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)NC2CCCC2)cc1 ZINC000741676631 574966396 /nfs/dbraw/zinc/96/63/96/574966396.db2.gz MXFCYEWBJRSQLM-UHFFFAOYSA-N 1 1 317.477 3.023 20 10 DGCDMO Cc1ccc(N2CCC[C@@H]([N@@H+](C)Cc3ccccc3O)C2=O)cc1 ZINC000744403362 575340281 /nfs/dbraw/zinc/34/02/81/575340281.db2.gz YNOXZRCUWNMMIF-GOSISDBHSA-N 1 1 324.424 3.328 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCOC3)C1)CCC2 ZINC000747830246 575545037 /nfs/dbraw/zinc/54/50/37/575545037.db2.gz LQOYOAPASUBCRM-IAGOWNOFSA-N 1 1 301.430 3.129 20 10 DGCDMO CC[C@H](C)C[N@@H+](CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749116377 575628185 /nfs/dbraw/zinc/62/81/85/575628185.db2.gz OMNRLJRXYJPVPI-INIZCTEOSA-N 1 1 319.493 3.079 20 10 DGCDMO CN1CCCc2cc(C[NH2+]Cc3ccc4nc[nH]c4c3)ccc21 ZINC000727469802 576128171 /nfs/dbraw/zinc/12/81/71/576128171.db2.gz HQPVZMLHBFMAKY-UHFFFAOYSA-N 1 1 306.413 3.235 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000852758308 620646237 /nfs/dbraw/zinc/64/62/37/620646237.db2.gz DCIWDJMGCMGBCQ-KDURUIRLSA-N 1 1 300.446 3.145 20 10 DGCDMO CCC(C)(C)NC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074193 620654878 /nfs/dbraw/zinc/65/48/78/620654878.db2.gz TXODFSVYMZBFMG-UHFFFAOYSA-N 1 1 317.477 3.022 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000853242056 620681395 /nfs/dbraw/zinc/68/13/95/620681395.db2.gz ZUPRWVGLYZETHW-OCCSQVGLSA-N 1 1 324.415 3.443 20 10 DGCDMO CCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1CC1 ZINC000154690488 620703655 /nfs/dbraw/zinc/70/36/55/620703655.db2.gz HHBMQGBMLZFXBW-UHFFFAOYSA-N 1 1 306.425 3.284 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(O)cc1C ZINC000853572426 620710786 /nfs/dbraw/zinc/71/07/86/620710786.db2.gz SDCHRPUMBKFPTG-YJBOKZPZSA-N 1 1 319.445 3.490 20 10 DGCDMO CCc1cc(C[N@H+]2CCC3(COC3)C2)c(O)c(C(C)(C)C)c1 ZINC000853595723 620713560 /nfs/dbraw/zinc/71/35/60/620713560.db2.gz VWOYPQHPPDFFBL-UHFFFAOYSA-N 1 1 303.446 3.474 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@](C)(C(F)F)O1 ZINC000853631367 620717805 /nfs/dbraw/zinc/71/78/05/620717805.db2.gz VPOZQLRBGIWJED-APPDUMDISA-N 1 1 311.372 3.125 20 10 DGCDMO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1ccc(F)cc1O ZINC000840845602 617948038 /nfs/dbraw/zinc/94/80/38/617948038.db2.gz BZUCFLCHYGCKEV-ONUMYQOESA-N 1 1 301.361 3.494 20 10 DGCDMO CCc1cc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)nc(C)[nH+]1 ZINC000853758355 620734344 /nfs/dbraw/zinc/73/43/44/620734344.db2.gz CQQDNHRBRMIKGU-OAHLLOKOSA-N 1 1 312.417 3.047 20 10 DGCDMO CCn1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)n1 ZINC000840840681 617872256 /nfs/dbraw/zinc/87/22/56/617872256.db2.gz NMSMBGWRNUBVKW-SNVBAGLBSA-N 1 1 313.323 3.478 20 10 DGCDMO C[N@H+](Cc1ccccc1O)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891713349 617877634 /nfs/dbraw/zinc/87/76/34/617877634.db2.gz AHPZRWKZHSIVDY-OTVXOJSOSA-N 1 1 320.433 3.127 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](CCCc2cnn(C)c2)C2CC2)cc1 ZINC000919770442 620765129 /nfs/dbraw/zinc/76/51/29/620765129.db2.gz DZFLGSMBVSNUMO-UHFFFAOYSA-N 1 1 312.461 3.083 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc(OC)c1 ZINC000155184011 620783497 /nfs/dbraw/zinc/78/34/97/620783497.db2.gz VPUUHAQBDJLPTC-UHFFFAOYSA-N 1 1 314.429 3.402 20 10 DGCDMO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccccc1O ZINC000854222312 620785510 /nfs/dbraw/zinc/78/55/10/620785510.db2.gz FBYSKQVRFVXICI-MORSLUCNSA-N 1 1 314.404 3.328 20 10 DGCDMO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccccc1O ZINC000854222310 620785523 /nfs/dbraw/zinc/78/55/23/620785523.db2.gz FBYSKQVRFVXICI-FSPWUOQZSA-N 1 1 314.404 3.328 20 10 DGCDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNCc2ccc3c(c2)CCO3)C1 ZINC000920181088 620789163 /nfs/dbraw/zinc/78/91/63/620789163.db2.gz XKQMONVKMYVDLZ-IYBDPMFKSA-N 1 1 316.489 3.468 20 10 DGCDMO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000920181088 620789164 /nfs/dbraw/zinc/78/91/64/620789164.db2.gz XKQMONVKMYVDLZ-IYBDPMFKSA-N 1 1 316.489 3.468 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000894779605 618454668 /nfs/dbraw/zinc/45/46/68/618454668.db2.gz JOMOWKGADABWTD-OLZOCXBDSA-N 1 1 311.372 3.309 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000894779605 618454670 /nfs/dbraw/zinc/45/46/70/618454670.db2.gz JOMOWKGADABWTD-OLZOCXBDSA-N 1 1 311.372 3.309 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1O ZINC000894783190 618457154 /nfs/dbraw/zinc/45/71/54/618457154.db2.gz QLUZFGINYBUTBT-OAHLLOKOSA-N 1 1 315.417 3.386 20 10 DGCDMO CCCC[N@@H+](CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792765887 618487640 /nfs/dbraw/zinc/48/76/40/618487640.db2.gz JMQMEMIEEAFMPD-UHFFFAOYSA-N 1 1 318.383 3.366 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)cc1F ZINC000840977883 618653828 /nfs/dbraw/zinc/65/38/28/618653828.db2.gz KWIFZQZREAYEGY-GOEBONIOSA-N 1 1 308.441 3.265 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)cc1F ZINC000840977882 618653947 /nfs/dbraw/zinc/65/39/47/618653947.db2.gz KWIFZQZREAYEGY-GDBMZVCRSA-N 1 1 308.441 3.265 20 10 DGCDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](CF)C2)ccc1N1CCCCC1 ZINC000895575323 618800696 /nfs/dbraw/zinc/80/06/96/618800696.db2.gz RNVKDTUWTSQJMI-OAHLLOKOSA-N 1 1 321.396 3.377 20 10 DGCDMO CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1CCCOC1 ZINC000895661967 618813688 /nfs/dbraw/zinc/81/36/88/618813688.db2.gz BSDVUESFIIUWKO-HZMBPMFUSA-N 1 1 301.789 3.480 20 10 DGCDMO CC1([NH+]2CCC2)CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000895669766 618816071 /nfs/dbraw/zinc/81/60/71/618816071.db2.gz BQOFRZFPZZQQBN-UHFFFAOYSA-N 1 1 312.816 3.245 20 10 DGCDMO COC1(OC)CC2(C[N@@H+](Cc3c(C)cccc3O)[C@@H]2C(C)C)C1 ZINC000895987408 618857898 /nfs/dbraw/zinc/85/78/98/618857898.db2.gz DZJXOKWCRZFNSD-QGZVFWFLSA-N 1 1 319.445 3.310 20 10 DGCDMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc4ccccc4c3O)C2)no1 ZINC000896232248 618889762 /nfs/dbraw/zinc/88/97/62/618889762.db2.gz JMQCZMBJTWAJOW-OAHLLOKOSA-N 1 1 309.369 3.226 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)cc1F ZINC000896492029 618918278 /nfs/dbraw/zinc/91/82/78/618918278.db2.gz JRFUIAKTPGDXSP-OAHLLOKOSA-N 1 1 316.424 3.005 20 10 DGCDMO COc1cc(Cl)cc(C[NH2+][C@H](c2ncccn2)C2CC2)c1O ZINC000896600277 618933255 /nfs/dbraw/zinc/93/32/55/618933255.db2.gz VQGKAZYGEGGJCP-AWEZNQCLSA-N 1 1 319.792 3.085 20 10 DGCDMO Cc1nc(C)c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000788020435 619031785 /nfs/dbraw/zinc/03/17/85/619031785.db2.gz QNNNJBAOLTVXOS-INIZCTEOSA-N 1 1 316.401 3.178 20 10 DGCDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3O)C2)n1 ZINC000897579140 619162269 /nfs/dbraw/zinc/16/22/69/619162269.db2.gz PETJEAWBQZXQIR-OAHLLOKOSA-N 1 1 315.417 3.155 20 10 DGCDMO CCC[C@@H](CCO)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000865663661 619165077 /nfs/dbraw/zinc/16/50/77/619165077.db2.gz VODSEQMMWZXUFW-LBPRGKRZSA-N 1 1 316.239 3.104 20 10 DGCDMO CCOCc1cc(CNC[C@H]([NH3+])c2ccccc2)ccc1OC ZINC000841035571 619173045 /nfs/dbraw/zinc/17/30/45/619173045.db2.gz IFRNCYPVVSBNGM-SFHVURJKSA-N 1 1 314.429 3.021 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c(O)c1 ZINC000898071488 619212716 /nfs/dbraw/zinc/21/27/16/619212716.db2.gz LXUHOVRLAJXBBR-CYBMUJFWSA-N 1 1 318.442 3.312 20 10 DGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccccc2Cl)cc1 ZINC000841044156 619246058 /nfs/dbraw/zinc/24/60/58/619246058.db2.gz UFBDXHVOMOCQFD-KRWDZBQOSA-N 1 1 303.837 3.196 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c(O)c1 ZINC000898516443 619283472 /nfs/dbraw/zinc/28/34/72/619283472.db2.gz SBCXOLVXPKBTKP-DOTOQJQBSA-N 1 1 319.445 3.430 20 10 DGCDMO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000901053844 619469690 /nfs/dbraw/zinc/46/96/90/619469690.db2.gz SOZJXUBMOCUUMN-IRXDYDNUSA-N 1 1 316.445 3.148 20 10 DGCDMO CCn1cnc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000902224322 619604460 /nfs/dbraw/zinc/60/44/60/619604460.db2.gz OYGHLHLIHHIWAJ-UHFFFAOYSA-N 1 1 312.461 3.429 20 10 DGCDMO CC[C@H]([NH2+]Cc1ncc(Br)cn1)c1ccccc1O ZINC000903320637 619755465 /nfs/dbraw/zinc/75/54/65/619755465.db2.gz MVICBHUYEQTVCO-LBPRGKRZSA-N 1 1 322.206 3.186 20 10 DGCDMO C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1cccc(C(F)(F)F)c1O ZINC000903438373 619775152 /nfs/dbraw/zinc/77/51/52/619775152.db2.gz UMNSQAUVHVLQKP-MRCXROJRSA-N 1 1 315.335 3.487 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1nccs1 ZINC000903447736 619778255 /nfs/dbraw/zinc/77/82/55/619778255.db2.gz BUDQXFCOXAWCEH-CZUORRHYSA-N 1 1 318.490 3.163 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCOc3ccc(N)cc3C2)c(Cl)c1 ZINC000903944318 619842290 /nfs/dbraw/zinc/84/22/90/619842290.db2.gz IDFLPVBBXRUINI-UHFFFAOYSA-N 1 1 318.804 3.331 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCOc3ccc(N)cc3C2)c(Cl)c1 ZINC000903944318 619842293 /nfs/dbraw/zinc/84/22/93/619842293.db2.gz IDFLPVBBXRUINI-UHFFFAOYSA-N 1 1 318.804 3.331 20 10 DGCDMO Cc1cc(-c2nc(C3([NH3+])CC3)no2)c(C)n1-c1ccccc1C ZINC000905316909 619986632 /nfs/dbraw/zinc/98/66/32/619986632.db2.gz XQISSNRCPVKUHQ-UHFFFAOYSA-N 1 1 308.385 3.400 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2COC(C)(C)C)cc1OC ZINC000905730830 620023779 /nfs/dbraw/zinc/02/37/79/620023779.db2.gz PPXWTWCUSINFFP-AWEZNQCLSA-N 1 1 323.433 3.189 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@]4(CCOC4)C3)c2c1 ZINC000151254761 620433382 /nfs/dbraw/zinc/43/33/82/620433382.db2.gz ZJHDPKXXHAXSIT-LJQANCHMSA-N 1 1 313.397 3.166 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@]4(CCOC4)C3)c2c1 ZINC000151254688 620433608 /nfs/dbraw/zinc/43/36/08/620433608.db2.gz ZJHDPKXXHAXSIT-IBGZPJMESA-N 1 1 313.397 3.166 20 10 DGCDMO C[C@@H]([NH2+]CCCN(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000151911500 620480557 /nfs/dbraw/zinc/48/05/57/620480557.db2.gz LAHKDTXWTDTJPZ-OAHLLOKOSA-N 1 1 307.457 3.418 20 10 DGCDMO C[NH+](C)C[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921506168 620877315 /nfs/dbraw/zinc/87/73/15/620877315.db2.gz NSFIHLJZNWMFJS-IBGZPJMESA-N 1 1 310.441 3.404 20 10 DGCDMO Clc1n[nH]c(C2CC2)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000921651462 620927184 /nfs/dbraw/zinc/92/71/84/620927184.db2.gz SDSBLFGOFKVCRI-UHFFFAOYSA-N 1 1 303.793 3.165 20 10 DGCDMO COC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(C)o1 ZINC000921809440 620953676 /nfs/dbraw/zinc/95/36/76/620953676.db2.gz MOKVUDPHAJUJAW-INIZCTEOSA-N 1 1 301.386 3.390 20 10 DGCDMO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(F)cc1F ZINC000922264364 621014893 /nfs/dbraw/zinc/01/48/93/621014893.db2.gz SIGXRRHOEXXZPT-QGZVFWFLSA-N 1 1 319.351 3.113 20 10 DGCDMO CCOc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c(O)c1 ZINC000922524513 621050796 /nfs/dbraw/zinc/05/07/96/621050796.db2.gz DPKMYQFECDRNKW-CRAIPNDOSA-N 1 1 317.360 3.352 20 10 DGCDMO CCOc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c1O ZINC000922523994 621050848 /nfs/dbraw/zinc/05/08/48/621050848.db2.gz ANUJINWNGPLOGA-RHSMWYFYSA-N 1 1 317.360 3.352 20 10 DGCDMO CCOc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c1 ZINC000922527438 621051363 /nfs/dbraw/zinc/05/13/63/621051363.db2.gz ZNCVLKMAFGYGQI-CRAIPNDOSA-N 1 1 317.360 3.352 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000857060662 621053203 /nfs/dbraw/zinc/05/32/03/621053203.db2.gz CZMVEYTVGOSXPS-ZFWWWQNUSA-N 1 1 321.461 3.149 20 10 DGCDMO CN(C)c1ccc(/C=C/C[NH2+][C@H](c2ncccn2)C2CC2)cc1 ZINC000922577268 621059856 /nfs/dbraw/zinc/05/98/56/621059856.db2.gz PNVZGCDMGIQABJ-YZTRRJNXSA-N 1 1 308.429 3.297 20 10 DGCDMO CC[N@@H+](CCC[C@H](C)O)Cc1cc(Br)ccc1O ZINC000789328591 625461000 /nfs/dbraw/zinc/46/10/00/625461000.db2.gz YAMRSLGYBWGAOD-NSHDSACASA-N 1 1 316.239 3.138 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000922895693 621125373 /nfs/dbraw/zinc/12/53/73/621125373.db2.gz GEHDRYDLITXXTB-MEDUHNTESA-N 1 1 313.800 3.480 20 10 DGCDMO CC(C)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cnn(C)c1 ZINC000922896262 621127181 /nfs/dbraw/zinc/12/71/81/621127181.db2.gz XCHZQRVZAONDGW-HNNXBMFYSA-N 1 1 311.788 3.405 20 10 DGCDMO C[C@@H](O)[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC000858196413 621163698 /nfs/dbraw/zinc/16/36/98/621163698.db2.gz ONZMSEZBEAPGAT-XIKOKIGWSA-N 1 1 320.383 3.243 20 10 DGCDMO CCn1nc(C)c(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000858294784 621172455 /nfs/dbraw/zinc/17/24/55/621172455.db2.gz OAOUIVKBSOJZOA-UHFFFAOYSA-N 1 1 323.444 3.304 20 10 DGCDMO COc1cc(O)c(C[NH+]2CC(C)(CC(F)(F)F)C2)cc1OC ZINC000839146234 621333007 /nfs/dbraw/zinc/33/30/07/621333007.db2.gz ZUABEJSLPDAUJS-UHFFFAOYSA-N 1 1 319.323 3.184 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+](C)C3CC(C)(C)C3)cc2)CC1 ZINC000839184607 621344369 /nfs/dbraw/zinc/34/43/69/621344369.db2.gz KGMIWOOXTLZGBE-UHFFFAOYSA-N 1 1 301.478 3.059 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+](C)C3CC(C)(C)C3)cc2)CC1 ZINC000839184607 621344373 /nfs/dbraw/zinc/34/43/73/621344373.db2.gz KGMIWOOXTLZGBE-UHFFFAOYSA-N 1 1 301.478 3.059 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1F ZINC000839190757 621346689 /nfs/dbraw/zinc/34/66/89/621346689.db2.gz AINCMLJUCPYLSI-QFBILLFUSA-N 1 1 320.452 3.265 20 10 DGCDMO Cc1cc(C[N@@H+]2CCCN(C)CC2)ccc1N1CCCCC1 ZINC000839465643 621378871 /nfs/dbraw/zinc/37/88/71/621378871.db2.gz ZCTBKAGKNVKNOJ-UHFFFAOYSA-N 1 1 301.478 3.123 20 10 DGCDMO Cc1cc(CN2CCC[N@@H+](C)CC2)ccc1N1CCCCC1 ZINC000839465643 621378872 /nfs/dbraw/zinc/37/88/72/621378872.db2.gz ZCTBKAGKNVKNOJ-UHFFFAOYSA-N 1 1 301.478 3.123 20 10 DGCDMO Cc1cc(CN2CCC[N@H+](C)CC2)ccc1N1CCCCC1 ZINC000839465643 621378874 /nfs/dbraw/zinc/37/88/74/621378874.db2.gz ZCTBKAGKNVKNOJ-UHFFFAOYSA-N 1 1 301.478 3.123 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCOC[C@H](C)C3)c2c1 ZINC000753987858 621476534 /nfs/dbraw/zinc/47/65/34/621476534.db2.gz YESQSVUPSQRDMW-CYBMUJFWSA-N 1 1 301.386 3.022 20 10 DGCDMO Oc1ccccc1C[N@@H+](CC[C@@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000754070163 621484977 /nfs/dbraw/zinc/48/49/77/621484977.db2.gz WVQKHSUGRJFTFD-ROUUACIJSA-N 1 1 319.445 3.332 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000754783662 621532206 /nfs/dbraw/zinc/53/22/06/621532206.db2.gz NUFHBTFNXFTLRU-INIZCTEOSA-N 1 1 312.413 3.189 20 10 DGCDMO C[C@H]1CSCC[N@H+]1Cc1c(O)cccc1Br ZINC000862244774 621566386 /nfs/dbraw/zinc/56/63/86/621566386.db2.gz FTOZWQBULGBNBO-VIFPVBQESA-N 1 1 302.237 3.092 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1F ZINC000862250521 621567169 /nfs/dbraw/zinc/56/71/69/621567169.db2.gz PZLUTWJBUHSGLF-CQSZACIVSA-N 1 1 324.415 3.279 20 10 DGCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(F)c(N(C)C)cc1F ZINC000862252438 621567768 /nfs/dbraw/zinc/56/77/68/621567768.db2.gz UCQVSIKTSSULBX-CABCVRRESA-N 1 1 323.431 3.089 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1F ZINC000862253100 621568397 /nfs/dbraw/zinc/56/83/97/621568397.db2.gz IQZWHLUSIDGSKW-KGLIPLIRSA-N 1 1 324.415 3.279 20 10 DGCDMO C[N@@H+](CCc1ccncc1)Cc1c(O)cccc1Br ZINC000862324228 621574571 /nfs/dbraw/zinc/57/45/71/621574571.db2.gz GNMTVCWPKIGZJC-UHFFFAOYSA-N 1 1 321.218 3.224 20 10 DGCDMO C[C@@H]1CSCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862344256 621576184 /nfs/dbraw/zinc/57/61/84/621576184.db2.gz OAXNCOJTTYWBCH-JTQLQIEISA-N 1 1 316.264 3.340 20 10 DGCDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862351971 621576673 /nfs/dbraw/zinc/57/66/73/621576673.db2.gz XJSIEBZFUUVNLU-QGZVFWFLSA-N 1 1 312.404 3.422 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1F ZINC000862384247 621582372 /nfs/dbraw/zinc/58/23/72/621582372.db2.gz SLNUBBDOWQUKMZ-FDQGKXFDSA-N 1 1 324.415 3.156 20 10 DGCDMO CC[C@H](C)[N@@H+](CCO)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000862387624 621583043 /nfs/dbraw/zinc/58/30/43/621583043.db2.gz OMOHAXOGWKRTOJ-ZDUSSCGKSA-N 1 1 309.450 3.291 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1F ZINC000862398368 621584615 /nfs/dbraw/zinc/58/46/15/621584615.db2.gz GQRWNAQOXNMCMS-DYVFJYSZSA-N 1 1 324.415 3.422 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000862508739 621596556 /nfs/dbraw/zinc/59/65/56/621596556.db2.gz XUGJXKSDQXSZKK-UHFFFAOYSA-N 1 1 322.456 3.287 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000862508739 621596558 /nfs/dbraw/zinc/59/65/58/621596558.db2.gz XUGJXKSDQXSZKK-UHFFFAOYSA-N 1 1 322.456 3.287 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000862541733 621598793 /nfs/dbraw/zinc/59/87/93/621598793.db2.gz UTRZLNWOPCFXJH-CYBMUJFWSA-N 1 1 308.422 3.046 20 10 DGCDMO C/C=C/C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000862551699 621600865 /nfs/dbraw/zinc/60/08/65/621600865.db2.gz XSTYHYYSCNQXEP-OOPCZODUSA-N 1 1 320.389 3.487 20 10 DGCDMO C/C=C/C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000862551699 621600866 /nfs/dbraw/zinc/60/08/66/621600866.db2.gz XSTYHYYSCNQXEP-OOPCZODUSA-N 1 1 320.389 3.487 20 10 DGCDMO CC[C@@H]1CC(=O)N(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000755913329 621602321 /nfs/dbraw/zinc/60/23/21/621602321.db2.gz NRTNJVSBGGBLLM-MRXNPFEDSA-N 1 1 317.477 3.179 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCc2ccccc2)c1 ZINC000756344419 621629692 /nfs/dbraw/zinc/62/96/92/621629692.db2.gz QSRVBMALHUEWRI-AWEZNQCLSA-N 1 1 313.397 3.462 20 10 DGCDMO CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756412090 621636843 /nfs/dbraw/zinc/63/68/43/621636843.db2.gz SBPJHMLLGHPVLG-JTQLQIEISA-N 1 1 320.339 3.480 20 10 DGCDMO COc1ccc(O)c([C@H](C)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000756454355 621639419 /nfs/dbraw/zinc/63/94/19/621639419.db2.gz MBLVPGBGKYUZDG-FZKCQIBNSA-N 1 1 320.477 3.418 20 10 DGCDMO COc1ccc(O)c([C@H](C)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000756454355 621639420 /nfs/dbraw/zinc/63/94/20/621639420.db2.gz MBLVPGBGKYUZDG-FZKCQIBNSA-N 1 1 320.477 3.418 20 10 DGCDMO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1C ZINC000756535634 621645760 /nfs/dbraw/zinc/64/57/60/621645760.db2.gz NTAOAKRXJIRIMH-VIFPVBQESA-N 1 1 309.360 3.354 20 10 DGCDMO CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756534669 621646060 /nfs/dbraw/zinc/64/60/60/621646060.db2.gz MFWRXWQTFWGWIN-SWLSCSKDSA-N 1 1 306.425 3.401 20 10 DGCDMO Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756534209 621646108 /nfs/dbraw/zinc/64/61/08/621646108.db2.gz LFNQTEYWQHQTOV-MNOVXSKESA-N 1 1 309.360 3.162 20 10 DGCDMO CCCN(Cc1ccccc1O)C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000839621348 621701545 /nfs/dbraw/zinc/70/15/45/621701545.db2.gz IWLDWEHLIMJKGV-XHSDSOJGSA-N 1 1 318.461 3.392 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000839637104 621706434 /nfs/dbraw/zinc/70/64/34/621706434.db2.gz VFVNIJGLKBZPPH-UXHICEINSA-N 1 1 310.441 3.451 20 10 DGCDMO CC(C)CO[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000759143296 621829560 /nfs/dbraw/zinc/82/95/60/621829560.db2.gz FRQFZPGOZCFDKH-HNNXBMFYSA-N 1 1 300.402 3.187 20 10 DGCDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000759753089 621887935 /nfs/dbraw/zinc/88/79/35/621887935.db2.gz CPVWUFHYESNDOZ-IBGZPJMESA-N 1 1 319.445 3.383 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[C@@H]2CCCCO2)c1 ZINC000760905150 621973440 /nfs/dbraw/zinc/97/34/40/621973440.db2.gz JLDBPUYBUZAUDC-ZFWWWQNUSA-N 1 1 321.417 3.179 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000865761847 621990512 /nfs/dbraw/zinc/99/05/12/621990512.db2.gz IMXQTYILNRNIRN-BDJLRTHQSA-N 1 1 313.800 3.480 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1ccc(Cl)cc1O ZINC000866427018 622116845 /nfs/dbraw/zinc/11/68/45/622116845.db2.gz GWNDAMQUVFWDAG-NWDGAFQWSA-N 1 1 313.825 3.485 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763671147 622157678 /nfs/dbraw/zinc/15/76/78/622157678.db2.gz JDSAJIHYSSFKTR-KRWDZBQOSA-N 1 1 316.445 3.059 20 10 DGCDMO CCN(C)c1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000764966006 622236644 /nfs/dbraw/zinc/23/66/44/622236644.db2.gz WXRFIIRMTLKWMR-KFKAGJAMSA-N 1 1 301.478 3.420 20 10 DGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1 ZINC000764966006 622236645 /nfs/dbraw/zinc/23/66/45/622236645.db2.gz WXRFIIRMTLKWMR-KFKAGJAMSA-N 1 1 301.478 3.420 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C3CCC4(CC4)CC3)cc2)CC1 ZINC000766214202 622312443 /nfs/dbraw/zinc/31/24/43/622312443.db2.gz ZJFAHISYUJHCNI-UHFFFAOYSA-N 1 1 313.489 3.251 20 10 DGCDMO C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1COc2ccccc2O1 ZINC000768182207 622443554 /nfs/dbraw/zinc/44/35/54/622443554.db2.gz WTXBTSRMXLORMC-AWEZNQCLSA-N 1 1 319.788 3.317 20 10 DGCDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768438007 622455714 /nfs/dbraw/zinc/45/57/14/622455714.db2.gz NMBBABUKDJJQEV-MRXNPFEDSA-N 1 1 319.788 3.103 20 10 DGCDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768438010 622455756 /nfs/dbraw/zinc/45/57/56/622455756.db2.gz NQFIERXZFKQALK-INIZCTEOSA-N 1 1 317.429 3.046 20 10 DGCDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444545 622456361 /nfs/dbraw/zinc/45/63/61/622456361.db2.gz CNFFTPZZKHGOHG-MJEQTWJJSA-N 1 1 305.418 3.219 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCCC3(CCCCC3)C1)[C@@H](O)CO2 ZINC000768447960 622456644 /nfs/dbraw/zinc/45/66/44/622456644.db2.gz SBORZIPCLNJOFO-KRWDZBQOSA-N 1 1 317.429 3.364 20 10 DGCDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768449269 622456677 /nfs/dbraw/zinc/45/66/77/622456677.db2.gz ZABGVBPIQVSICB-CXAGYDPISA-N 1 1 305.418 3.076 20 10 DGCDMO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768464247 622458080 /nfs/dbraw/zinc/45/80/80/622458080.db2.gz PIWGHTOFFFZRBR-ZDUSSCGKSA-N 1 1 305.418 3.043 20 10 DGCDMO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768464247 622458082 /nfs/dbraw/zinc/45/80/82/622458082.db2.gz PIWGHTOFFFZRBR-ZDUSSCGKSA-N 1 1 305.418 3.043 20 10 DGCDMO CC(C)C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768463349 622458281 /nfs/dbraw/zinc/45/82/81/622458281.db2.gz HJJUMHVQEPPADC-DYVFJYSZSA-N 1 1 305.418 3.076 20 10 DGCDMO c1cc(N2CCCCC2)ccc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000769159448 622503550 /nfs/dbraw/zinc/50/35/50/622503550.db2.gz CCRUILBRVBFFLU-FQEVSTJZSA-N 1 1 313.489 3.347 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000769159448 622503551 /nfs/dbraw/zinc/50/35/51/622503551.db2.gz CCRUILBRVBFFLU-FQEVSTJZSA-N 1 1 313.489 3.347 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCN2CCCC[C@H]2C1 ZINC000769159448 622503554 /nfs/dbraw/zinc/50/35/54/622503554.db2.gz CCRUILBRVBFFLU-FQEVSTJZSA-N 1 1 313.489 3.347 20 10 DGCDMO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCCCNC1=O ZINC000769200758 622507248 /nfs/dbraw/zinc/50/72/48/622507248.db2.gz CNPDLXIUSWZLHS-GOSISDBHSA-N 1 1 324.424 3.160 20 10 DGCDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000769240837 622510390 /nfs/dbraw/zinc/51/03/90/622510390.db2.gz SBORYAPWIJFZLD-NSHDSACASA-N 1 1 307.781 3.117 20 10 DGCDMO CCCN(Cc1ccccc1O)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000769290815 622514247 /nfs/dbraw/zinc/51/42/47/622514247.db2.gz JRSMPSZQIMYAMA-GASCZTMLSA-N 1 1 304.434 3.004 20 10 DGCDMO CN1CC[N@@H+](Cc2c(O)cccc2Cl)Cc2ccccc21 ZINC000769320841 622517286 /nfs/dbraw/zinc/51/72/86/622517286.db2.gz YKLZBQARHUXRIC-UHFFFAOYSA-N 1 1 302.805 3.498 20 10 DGCDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000769423849 622526500 /nfs/dbraw/zinc/52/65/00/622526500.db2.gz IBOKQAVLIHJZQB-LLVKDONJSA-N 1 1 315.344 3.379 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2(O)CCCC2)cc1F ZINC000769446809 622528605 /nfs/dbraw/zinc/52/86/05/622528605.db2.gz BPUHLIHMWSUOMY-UHFFFAOYSA-N 1 1 308.441 3.409 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)cc1F ZINC000769450173 622528695 /nfs/dbraw/zinc/52/86/95/622528695.db2.gz BNBMONLTGRYSIF-GOEBONIOSA-N 1 1 308.441 3.407 20 10 DGCDMO Cc1cnc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)s1 ZINC000769456373 622529167 /nfs/dbraw/zinc/52/91/67/622529167.db2.gz JEFHSYCWRCPKAX-UHFFFAOYSA-N 1 1 323.849 3.133 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)c1 ZINC000769469589 622530662 /nfs/dbraw/zinc/53/06/62/622530662.db2.gz AOIRVRAZZOMTDU-HOCLYGCPSA-N 1 1 306.450 3.096 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)c1 ZINC000769469589 622530663 /nfs/dbraw/zinc/53/06/63/622530663.db2.gz AOIRVRAZZOMTDU-HOCLYGCPSA-N 1 1 306.450 3.096 20 10 DGCDMO Cc1cccc(C[N@@H+](C)Cc2cccc(Br)c2O)n1 ZINC000769480447 622532555 /nfs/dbraw/zinc/53/25/55/622532555.db2.gz NTEZXXKEIOLQGB-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO Cc1cccc(C[N@H+](C)Cc2cccc(Br)c2O)n1 ZINC000769480447 622532558 /nfs/dbraw/zinc/53/25/58/622532558.db2.gz NTEZXXKEIOLQGB-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000769504216 622535136 /nfs/dbraw/zinc/53/51/36/622535136.db2.gz QCSXFGGWJJUGSV-MRXNPFEDSA-N 1 1 312.413 3.477 20 10 DGCDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000769513593 622536775 /nfs/dbraw/zinc/53/67/75/622536775.db2.gz CHKFYKNUQXBQAW-AWEZNQCLSA-N 1 1 308.853 3.209 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@H](C)C3(CCC3)C2)cc1OC ZINC000770671022 622658559 /nfs/dbraw/zinc/65/85/59/622658559.db2.gz WEDZATZORCXKJU-ZDUSSCGKSA-N 1 1 305.418 3.422 20 10 DGCDMO Cn1cc(CC[NH2+]Cc2cccc(F)c2O)c2ccc(F)cc21 ZINC000770669385 622658862 /nfs/dbraw/zinc/65/88/62/622658862.db2.gz VNCUXYIVVOKVND-UHFFFAOYSA-N 1 1 316.351 3.494 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C(=O)OCCn2cc[nH+]c2C)cc1 ZINC000771873030 622807071 /nfs/dbraw/zinc/80/70/71/622807071.db2.gz ABQBDEDSZZFPCJ-UHFFFAOYSA-N 1 1 323.396 3.456 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872253703 622868221 /nfs/dbraw/zinc/86/82/21/622868221.db2.gz DVPSGKNWVYIACI-QDLOVBKTSA-N 1 1 310.388 3.122 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](C3CCC3)CC1)[C@@H](O)CO2 ZINC000872701366 622955965 /nfs/dbraw/zinc/95/59/65/622955965.db2.gz WBJHNASPRZKZRX-KSSFIOAISA-N 1 1 317.429 3.220 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)c(O)cc1C ZINC000872806122 622983202 /nfs/dbraw/zinc/98/32/02/622983202.db2.gz JTQGYKHGBDUOIN-CYBMUJFWSA-N 1 1 318.442 3.464 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(O)cc1C ZINC000773256542 623006073 /nfs/dbraw/zinc/00/60/73/623006073.db2.gz CIZOXLAGUOJLKO-CVEARBPZSA-N 1 1 319.445 3.348 20 10 DGCDMO CCCOc1ccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000873012212 623016457 /nfs/dbraw/zinc/01/64/57/623016457.db2.gz DHZPPOSNTHMXTK-QGZVFWFLSA-N 1 1 302.462 3.358 20 10 DGCDMO CCCOc1ccc(CNC[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000873012212 623016463 /nfs/dbraw/zinc/01/64/63/623016463.db2.gz DHZPPOSNTHMXTK-QGZVFWFLSA-N 1 1 302.462 3.358 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000773757965 623068353 /nfs/dbraw/zinc/06/83/53/623068353.db2.gz SPOUCSZEJCBGNZ-GJZGRUSLSA-N 1 1 316.367 3.030 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000773773737 623071790 /nfs/dbraw/zinc/07/17/90/623071790.db2.gz AICOAJDUAHGZKL-HXUWFJFHSA-N 1 1 310.441 3.234 20 10 DGCDMO COc1c([O-])c(C[N@H+]2CCC[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000774834019 623197134 /nfs/dbraw/zinc/19/71/34/623197134.db2.gz SDIHEERCOJXKPC-CYBMUJFWSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000774834019 623197137 /nfs/dbraw/zinc/19/71/37/623197137.db2.gz SDIHEERCOJXKPC-CYBMUJFWSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000774834019 623197139 /nfs/dbraw/zinc/19/71/39/623197139.db2.gz SDIHEERCOJXKPC-CYBMUJFWSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+](C)C2CCCCCC2)ccc1[N+](=O)[O-] ZINC000774839442 623198108 /nfs/dbraw/zinc/19/81/08/623198108.db2.gz ZRYAOTWVPQUMJL-UHFFFAOYSA-N 1 1 308.378 3.464 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)C2CCCCCC2)ccc1[N+](=O)[O-] ZINC000774839442 623198109 /nfs/dbraw/zinc/19/81/09/623198109.db2.gz ZRYAOTWVPQUMJL-UHFFFAOYSA-N 1 1 308.378 3.464 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000774943000 623210258 /nfs/dbraw/zinc/21/02/58/623210258.db2.gz SKPHCVIUPOWGTD-LBPRGKRZSA-N 1 1 316.357 3.202 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000774942248 623210305 /nfs/dbraw/zinc/21/03/05/623210305.db2.gz JQIYAZAPKKPDJC-NQBHXWOUSA-N 1 1 308.378 3.223 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H](C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000774976602 623212762 /nfs/dbraw/zinc/21/27/62/623212762.db2.gz HWIFPKDBUUYJNJ-JTQLQIEISA-N 1 1 322.386 3.091 20 10 DGCDMO COc1c(O)c(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774980900 623213724 /nfs/dbraw/zinc/21/37/24/623213724.db2.gz FAYHCNGBOFQFQU-YABSGUDNSA-N 1 1 308.378 3.223 20 10 DGCDMO COc1c(O)c(C[NH2+]CCc2sccc2C)ccc1[N+](=O)[O-] ZINC000775049717 623220560 /nfs/dbraw/zinc/22/05/60/623220560.db2.gz CGSPPWPNCOAHCU-UHFFFAOYSA-N 1 1 322.386 3.011 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCCC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000775098014 623230721 /nfs/dbraw/zinc/23/07/21/623230721.db2.gz OBWORJVCWGHNBY-UHFFFAOYSA-N 1 1 320.389 3.465 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCCC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000775098014 623230723 /nfs/dbraw/zinc/23/07/23/623230723.db2.gz OBWORJVCWGHNBY-UHFFFAOYSA-N 1 1 320.389 3.465 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+](C)Cc3ccsc3)cc2)CC1 ZINC000775644536 623302258 /nfs/dbraw/zinc/30/22/58/623302258.db2.gz NNVGPJOCZSISOL-UHFFFAOYSA-N 1 1 315.486 3.132 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+](C)Cc3ccsc3)cc2)CC1 ZINC000775644536 623302263 /nfs/dbraw/zinc/30/22/63/623302263.db2.gz NNVGPJOCZSISOL-UHFFFAOYSA-N 1 1 315.486 3.132 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)CCCOc2ccc(F)cc2)c1 ZINC000775655329 623305698 /nfs/dbraw/zinc/30/56/98/623305698.db2.gz DTGJLHJTBBHNLM-UHFFFAOYSA-N 1 1 319.376 3.441 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000775660239 623307550 /nfs/dbraw/zinc/30/75/50/623307550.db2.gz BAGCJBDZDROWFW-AZUAARDMSA-N 1 1 313.489 3.203 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000775660239 623307555 /nfs/dbraw/zinc/30/75/55/623307555.db2.gz BAGCJBDZDROWFW-AZUAARDMSA-N 1 1 313.489 3.203 20 10 DGCDMO Cc1cc(Br)cc(C[N@H+](C[C@@H](C)O)C(C)C)c1O ZINC000775680473 623312459 /nfs/dbraw/zinc/31/24/59/623312459.db2.gz FYNMMMKPLFAPDN-LLVKDONJSA-N 1 1 316.239 3.054 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CCC4(CCCC4)C3)cc2)CC1 ZINC000775690275 623314916 /nfs/dbraw/zinc/31/49/16/623314916.db2.gz OLCHXFMUPQWBHH-UHFFFAOYSA-N 1 1 313.489 3.205 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CCC4(CCCC4)C3)cc2)CC1 ZINC000775690275 623314922 /nfs/dbraw/zinc/31/49/22/623314922.db2.gz OLCHXFMUPQWBHH-UHFFFAOYSA-N 1 1 313.489 3.205 20 10 DGCDMO CC[N@@H+](Cc1cccc(C)c1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000775695586 623314974 /nfs/dbraw/zinc/31/49/74/623314974.db2.gz NWESAYPVRVQBMK-SFHVURJKSA-N 1 1 324.424 3.328 20 10 DGCDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC000775716685 623318546 /nfs/dbraw/zinc/31/85/46/623318546.db2.gz ZTODSCGMCCKIFV-FZMZJTMJSA-N 1 1 314.832 3.489 20 10 DGCDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC000775716685 623318551 /nfs/dbraw/zinc/31/85/51/623318551.db2.gz ZTODSCGMCCKIFV-FZMZJTMJSA-N 1 1 314.832 3.489 20 10 DGCDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC000775716685 623318557 /nfs/dbraw/zinc/31/85/57/623318557.db2.gz ZTODSCGMCCKIFV-FZMZJTMJSA-N 1 1 314.832 3.489 20 10 DGCDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000775716684 623318808 /nfs/dbraw/zinc/31/88/08/623318808.db2.gz ZTODSCGMCCKIFV-BXUZGUMPSA-N 1 1 314.832 3.489 20 10 DGCDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000775716684 623318811 /nfs/dbraw/zinc/31/88/11/623318811.db2.gz ZTODSCGMCCKIFV-BXUZGUMPSA-N 1 1 314.832 3.489 20 10 DGCDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000775716684 623318816 /nfs/dbraw/zinc/31/88/16/623318816.db2.gz ZTODSCGMCCKIFV-BXUZGUMPSA-N 1 1 314.832 3.489 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000775726618 623319349 /nfs/dbraw/zinc/31/93/49/623319349.db2.gz XMMJYDYJBLBXHK-ZDUSSCGKSA-N 1 1 322.767 3.233 20 10 DGCDMO C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccc(N(C)C)cc1 ZINC000775834910 623339364 /nfs/dbraw/zinc/33/93/64/623339364.db2.gz VUWRXBSUZAJKFT-GFCCVEGCSA-N 1 1 312.373 3.246 20 10 DGCDMO C[C@H]1CCCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775998996 623362791 /nfs/dbraw/zinc/36/27/91/623362791.db2.gz UFJFFVLXGRDFAG-KRWDZBQOSA-N 1 1 301.478 3.060 20 10 DGCDMO C[C@H]1CCCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775998996 623362797 /nfs/dbraw/zinc/36/27/97/623362797.db2.gz UFJFFVLXGRDFAG-KRWDZBQOSA-N 1 1 301.478 3.060 20 10 DGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876643108 623667887 /nfs/dbraw/zinc/66/78/87/623667887.db2.gz UGSNFGSPXPYOQN-MRXNPFEDSA-N 1 1 302.462 3.270 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000876682981 623680964 /nfs/dbraw/zinc/68/09/64/623680964.db2.gz QBTIYUAPWLBPAF-GOSISDBHSA-N 1 1 301.361 3.413 20 10 DGCDMO C[C@@H]([N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1)C1(C)CC1 ZINC000876806538 623710970 /nfs/dbraw/zinc/71/09/70/623710970.db2.gz PZICCFUKODSHSQ-OAHLLOKOSA-N 1 1 302.462 3.268 20 10 DGCDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876806661 623711059 /nfs/dbraw/zinc/71/10/59/623711059.db2.gz RJRWXCISHBHYAP-KRWDZBQOSA-N 1 1 302.462 3.126 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2cc(F)ccc2O)cc1OC ZINC000778992956 623717084 /nfs/dbraw/zinc/71/70/84/623717084.db2.gz MNVZSOCERPPANT-UHFFFAOYSA-N 1 1 305.349 3.181 20 10 DGCDMO CCOC(=O)C1([N@@H+](C)Cc2cc(F)ccc2O)CCCCC1 ZINC000779023513 623721343 /nfs/dbraw/zinc/72/13/43/623721343.db2.gz SMKNAOJZIXZQIG-UHFFFAOYSA-N 1 1 309.381 3.229 20 10 DGCDMO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)C[N@H+]1Cc1ccccc1O ZINC000779020827 623721623 /nfs/dbraw/zinc/72/16/23/623721623.db2.gz TZOSVQYUXDSHTM-DLBZAZTESA-N 1 1 310.441 3.487 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1ccccc1O ZINC000779020827 623721627 /nfs/dbraw/zinc/72/16/27/623721627.db2.gz TZOSVQYUXDSHTM-DLBZAZTESA-N 1 1 310.441 3.487 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1ccccc1O ZINC000779020827 623721629 /nfs/dbraw/zinc/72/16/29/623721629.db2.gz TZOSVQYUXDSHTM-DLBZAZTESA-N 1 1 310.441 3.487 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1F ZINC000779432109 623769447 /nfs/dbraw/zinc/76/94/47/623769447.db2.gz KOWPMHVDHRIWMS-RHSMWYFYSA-N 1 1 308.441 3.121 20 10 DGCDMO CC[N@@H+](Cc1cc(Br)cc(OC)c1O)C(C)C ZINC000126349221 623792354 /nfs/dbraw/zinc/79/23/54/623792354.db2.gz DYBRVMBQWKBDMX-UHFFFAOYSA-N 1 1 302.212 3.394 20 10 DGCDMO Oc1c(Br)cccc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000877479054 623902141 /nfs/dbraw/zinc/90/21/41/623902141.db2.gz QSDFCJWESUHDAN-UHFFFAOYSA-N 1 1 323.190 3.310 20 10 DGCDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877494646 623910941 /nfs/dbraw/zinc/91/09/41/623910941.db2.gz RTYJXDGMSKHGML-OAHLLOKOSA-N 1 1 300.446 3.046 20 10 DGCDMO Cc1ccc(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)c(O)c1 ZINC000877518145 623920921 /nfs/dbraw/zinc/92/09/21/623920921.db2.gz SQQAJALFPSOWRD-UHFFFAOYSA-N 1 1 323.396 3.425 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@H](C4CC4)C3)cc2)CC1 ZINC000877535482 623929931 /nfs/dbraw/zinc/92/99/31/623929931.db2.gz OGRYWSIJMZGQBQ-SFHVURJKSA-N 1 1 314.473 3.270 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC(C)(C)C1 ZINC000877584143 623951814 /nfs/dbraw/zinc/95/18/14/623951814.db2.gz CWFIEXXMXYLCRO-UHFFFAOYSA-N 1 1 302.462 3.268 20 10 DGCDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000877594566 623955703 /nfs/dbraw/zinc/95/57/03/623955703.db2.gz VGRHNYYHXOMJJL-OAGGEKHMSA-N 1 1 302.462 3.124 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000877640082 623974541 /nfs/dbraw/zinc/97/45/41/623974541.db2.gz ULTHGZAXLRVKPY-RYUDHWBXSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1cccc(O)c1C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000877660043 623980639 /nfs/dbraw/zinc/98/06/39/623980639.db2.gz HKUKVAVNHKXEOO-CYBMUJFWSA-N 1 1 308.422 3.046 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc(O[C@@H]3CCOC3)cc1)C2 ZINC000877702547 623997280 /nfs/dbraw/zinc/99/72/80/623997280.db2.gz ATKHRIBKPCLFEE-QGZVFWFLSA-N 1 1 311.381 3.076 20 10 DGCDMO CCOP(=O)(CCC[N@H+]1Cc2cccc(O)c2C1)OCC ZINC000877703074 623998483 /nfs/dbraw/zinc/99/84/83/623998483.db2.gz QAUBSKLBCGTNGN-UHFFFAOYSA-N 1 1 313.334 3.364 20 10 DGCDMO COC[C@@H](C)Oc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877702933 623998833 /nfs/dbraw/zinc/99/88/33/623998833.db2.gz KPUCISPWGNLJGV-CQSZACIVSA-N 1 1 313.397 3.322 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1nn(C)cc1C(F)F ZINC000877732470 624007449 /nfs/dbraw/zinc/00/74/49/624007449.db2.gz GDYCOXUMVXRPKS-UHFFFAOYSA-N 1 1 308.376 3.022 20 10 DGCDMO CCc1cccc(C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)c1O ZINC000877762244 624025708 /nfs/dbraw/zinc/02/57/08/624025708.db2.gz DTYAMEMUYSXUEN-SFHVURJKSA-N 1 1 323.440 3.334 20 10 DGCDMO COC(=O)CC[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000877818812 624050275 /nfs/dbraw/zinc/05/02/75/624050275.db2.gz PLMGPEBEYGEHLI-GFCCVEGCSA-N 1 1 311.809 3.211 20 10 DGCDMO CCc1cccc(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)c1O ZINC000877821161 624051911 /nfs/dbraw/zinc/05/19/11/624051911.db2.gz LFEQKDKXLYDYQF-ZDUSSCGKSA-N 1 1 303.324 3.108 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]CCOC2CCC2)c1 ZINC000781631384 624110116 /nfs/dbraw/zinc/11/01/16/624110116.db2.gz IWSUCCAPVFSKHS-UHFFFAOYSA-N 1 1 314.223 3.122 20 10 DGCDMO CCC(CC)(CO)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000781631090 624110266 /nfs/dbraw/zinc/11/02/66/624110266.db2.gz HFHXKGLBHQXLJF-UHFFFAOYSA-N 1 1 316.239 3.104 20 10 DGCDMO C[C@H]([NH2+]Cc1nccn1CC(F)F)c1ccc(N(C)C)cc1 ZINC000878454998 624282499 /nfs/dbraw/zinc/28/24/99/624282499.db2.gz MKBKHGCDYGTDDV-LBPRGKRZSA-N 1 1 308.376 3.065 20 10 DGCDMO COCC[N@@H+](Cc1cc(C(C)C)c(C)cc1O)[C@H]1CCOC1 ZINC000782964399 624296576 /nfs/dbraw/zinc/29/65/76/624296576.db2.gz VCIGTYSAHADTAJ-INIZCTEOSA-N 1 1 307.434 3.061 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000785767096 624730304 /nfs/dbraw/zinc/73/03/04/624730304.db2.gz JOKMJARBMNSTTI-ZWKOTPCHSA-N 1 1 302.462 3.391 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1O ZINC000785990245 624775265 /nfs/dbraw/zinc/77/52/65/624775265.db2.gz ZXSUXVHEJCUVAE-WDMOLILDSA-N 1 1 313.825 3.036 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](O)CC(F)(F)F)cc1 ZINC000787151681 624983690 /nfs/dbraw/zinc/98/36/90/624983690.db2.gz JIVKOUFLNCHYEO-HNNXBMFYSA-N 1 1 318.383 3.278 20 10 DGCDMO C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000788258907 625108329 /nfs/dbraw/zinc/10/83/29/625108329.db2.gz ZDXVRHWHTMLJTR-VIFPVBQESA-N 1 1 314.216 3.326 20 10 DGCDMO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788646174 625235446 /nfs/dbraw/zinc/23/54/46/625235446.db2.gz BKDRZJFGDLXNQG-MNOVXSKESA-N 1 1 313.323 3.347 20 10 DGCDMO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788756233 625259346 /nfs/dbraw/zinc/25/93/46/625259346.db2.gz VPDNRTVSSDMBPT-CBZSPVTBSA-N 1 1 303.324 3.389 20 10 DGCDMO C[C@H]1CCCN(CC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790950327 625720067 /nfs/dbraw/zinc/72/00/67/625720067.db2.gz VWFFTJPEFTYLKL-NSHDSACASA-N 1 1 300.805 3.006 20 10 DGCDMO C[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)N1CCC(C)CC1 ZINC000790962790 625723235 /nfs/dbraw/zinc/72/32/35/625723235.db2.gz SCCKINTYZWCJFG-GFCCVEGCSA-N 1 1 314.832 3.395 20 10 DGCDMO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790966412 625724507 /nfs/dbraw/zinc/72/45/07/625724507.db2.gz OJGXXLPPQSDWMW-XHDPSFHLSA-N 1 1 323.795 3.439 20 10 DGCDMO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000790982726 625730217 /nfs/dbraw/zinc/73/02/17/625730217.db2.gz XNACOSFLAXEYFG-HZMBPMFUSA-N 1 1 301.789 3.478 20 10 DGCDMO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C3=CC(=O)CS3)cccc21 ZINC000791039751 625743783 /nfs/dbraw/zinc/74/37/83/625743783.db2.gz XTBMXACUGVOELL-CYBMUJFWSA-N 1 1 318.398 3.091 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc2c(c1)OCCO2 ZINC000882880570 625842264 /nfs/dbraw/zinc/84/22/64/625842264.db2.gz YPWDZNMJYKAKLD-SNVBAGLBSA-N 1 1 321.323 3.292 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000882879032 625842324 /nfs/dbraw/zinc/84/23/24/625842324.db2.gz DKBVLMIAMFLGRE-OAHLLOKOSA-N 1 1 322.355 3.190 20 10 DGCDMO CN(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000882879853 625842428 /nfs/dbraw/zinc/84/24/28/625842428.db2.gz PYFYTAWRMQWJJD-MRXNPFEDSA-N 1 1 306.356 3.063 20 10 DGCDMO COc1cccc(CC[NH2+]Cc2cc(F)cc(F)c2O)c1OC ZINC000882902562 625852136 /nfs/dbraw/zinc/85/21/36/625852136.db2.gz JHVXLCDSTTWGKP-UHFFFAOYSA-N 1 1 323.339 3.020 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H](O)c1cccc(F)c1 ZINC000883027691 625902115 /nfs/dbraw/zinc/90/21/15/625902115.db2.gz KQPRPHDSKWXKNP-BJOHPYRUSA-N 1 1 311.303 3.021 20 10 DGCDMO C[C@@H](O)C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000883041396 625908168 /nfs/dbraw/zinc/90/81/68/625908168.db2.gz LDUYVTKOAIICJY-OCCSQVGLSA-N 1 1 321.367 3.315 20 10 DGCDMO CC(C)[N@@H+]1CCCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792157298 625916040 /nfs/dbraw/zinc/91/60/40/625916040.db2.gz RQXYEDBRKOYTMS-UHFFFAOYSA-N 1 1 300.805 3.101 20 10 DGCDMO CC(C)[N@H+]1CCCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792157298 625916042 /nfs/dbraw/zinc/91/60/42/625916042.db2.gz RQXYEDBRKOYTMS-UHFFFAOYSA-N 1 1 300.805 3.101 20 10 DGCDMO Oc1ccc(Cl)c(F)c1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000792167729 625917878 /nfs/dbraw/zinc/91/78/78/625917878.db2.gz OQYZMSLSHOOGQU-GFCCVEGCSA-N 1 1 312.816 3.245 20 10 DGCDMO C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883079621 625919124 /nfs/dbraw/zinc/91/91/24/625919124.db2.gz YMXXLJDSTMAOSX-ZANVPECISA-N 1 1 313.369 3.334 20 10 DGCDMO Cc1ccc2c(c1)CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000792181842 625921271 /nfs/dbraw/zinc/92/12/71/625921271.db2.gz VBTKPPPTPRPMFH-UHFFFAOYSA-N 1 1 322.452 3.390 20 10 DGCDMO CCOc1ccc(C[N@@H+](CCOC)[C@H]2CC[C@H](C)C2)c(O)c1 ZINC000792192992 625922715 /nfs/dbraw/zinc/92/27/15/625922715.db2.gz PGBPNIHGGHHJQR-HOCLYGCPSA-N 1 1 307.434 3.428 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000883156230 625946830 /nfs/dbraw/zinc/94/68/30/625946830.db2.gz INWJDNGOLNKXMW-VIFPVBQESA-N 1 1 309.312 3.235 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000883195763 625966526 /nfs/dbraw/zinc/96/65/26/625966526.db2.gz BURNMSJGFHIPJP-OAHLLOKOSA-N 1 1 311.372 3.499 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CSC[C@H]2C)c1 ZINC000796480961 626054858 /nfs/dbraw/zinc/05/48/58/626054858.db2.gz BOKJBRDRMRXJNF-BXKDBHETSA-N 1 1 316.264 3.304 20 10 DGCDMO CC[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(F)cc1O ZINC000796944329 626098318 /nfs/dbraw/zinc/09/83/18/626098318.db2.gz WBKFHZDJHQHSRO-CQSZACIVSA-N 1 1 321.421 3.117 20 10 DGCDMO CC[C@H]([NH2+][C@H](CO)Cc1ccc(C)cc1)c1ccc(F)cc1O ZINC000796959526 626100080 /nfs/dbraw/zinc/10/00/80/626100080.db2.gz RADZUEXAQMRSDG-WMZOPIPTSA-N 1 1 317.404 3.484 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000797418759 626141518 /nfs/dbraw/zinc/14/15/18/626141518.db2.gz VQGYCCGUBOSNMC-JTDSTZFVSA-N 1 1 319.445 3.167 20 10 DGCDMO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1cccc(C(F)(F)F)c1O ZINC000798179478 626199960 /nfs/dbraw/zinc/19/99/60/626199960.db2.gz BTFYNIANOTZDLD-CABZTGNLSA-N 1 1 315.291 3.388 20 10 DGCDMO C[C@H]([NH2+]CCC1(C)OCCO1)c1cccc(C(F)(F)F)c1O ZINC000798182068 626200495 /nfs/dbraw/zinc/20/04/95/626200495.db2.gz AHLCCLMWBMPLGD-JTQLQIEISA-N 1 1 319.323 3.215 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3ccccn3)C2)c1O ZINC000798963654 626263767 /nfs/dbraw/zinc/26/37/67/626263767.db2.gz IIXDGEZXWCZTNT-LBPRGKRZSA-N 1 1 318.804 3.439 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCC=C(Br)C1)CCC2 ZINC000799573365 626310796 /nfs/dbraw/zinc/31/07/96/626310796.db2.gz BOXDQSSLMJULIU-UHFFFAOYSA-N 1 1 308.219 3.365 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC=C(Br)C1)CCC2 ZINC000799573365 626310798 /nfs/dbraw/zinc/31/07/98/626310798.db2.gz BOXDQSSLMJULIU-UHFFFAOYSA-N 1 1 308.219 3.365 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCc3cc(F)cc(C)c3C2)c1 ZINC000800537000 626366811 /nfs/dbraw/zinc/36/68/11/626366811.db2.gz XGMBLRBXVGZASI-UHFFFAOYSA-N 1 1 301.361 3.407 20 10 DGCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)C2CCCCCC2)cc1 ZINC000800746073 626373438 /nfs/dbraw/zinc/37/34/38/626373438.db2.gz LNSBBGAAKCRPOK-UHFFFAOYSA-N 1 1 317.477 3.023 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCOc3cccc(F)c3C1)CCC2 ZINC000800854931 626379664 /nfs/dbraw/zinc/37/96/64/626379664.db2.gz CPEPHUQEPJDDPR-UHFFFAOYSA-N 1 1 313.372 3.415 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCOc3cccc(F)c3C1)CCC2 ZINC000800854931 626379667 /nfs/dbraw/zinc/37/96/67/626379667.db2.gz CPEPHUQEPJDDPR-UHFFFAOYSA-N 1 1 313.372 3.415 20 10 DGCDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000800858368 626379793 /nfs/dbraw/zinc/37/97/93/626379793.db2.gz MAOKPTVAYYGWEF-OAHLLOKOSA-N 1 1 322.412 3.054 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(Cl)cc1O ZINC000883275743 626633173 /nfs/dbraw/zinc/63/31/73/626633173.db2.gz AIGPSKUMJCQVHQ-AAEUAGOBSA-N 1 1 309.793 3.140 20 10 DGCDMO CN(C)c1ccc(/C=C\C[NH2+]C2(c3ncccn3)CCC2)cc1 ZINC000883306544 626640836 /nfs/dbraw/zinc/64/08/36/626640836.db2.gz XZJWHKSOLYDFDW-UTCJRWHESA-N 1 1 308.429 3.225 20 10 DGCDMO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000806137154 626701056 /nfs/dbraw/zinc/70/10/56/626701056.db2.gz HIGKSKZEIXDONY-FUHWJXTLSA-N 1 1 319.468 3.246 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)CCC2 ZINC000840118730 626770400 /nfs/dbraw/zinc/77/04/00/626770400.db2.gz ZSHYCFPTTYLNJP-IPMKNSEASA-N 1 1 315.457 3.396 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)CCCC2 ZINC000840119979 626772057 /nfs/dbraw/zinc/77/20/57/626772057.db2.gz JVMIQAZNJDEKMW-QRVBRYPASA-N 1 1 315.457 3.396 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H]1C ZINC000840122434 626774599 /nfs/dbraw/zinc/77/45/99/626774599.db2.gz DBUFXZRWMOELNA-WBMJQRKESA-N 1 1 307.434 3.252 20 10 DGCDMO CC(C)(C)[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000808735835 626856315 /nfs/dbraw/zinc/85/63/15/626856315.db2.gz CDXKOIYNOOCWPW-KRWDZBQOSA-N 1 1 303.402 3.394 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](CO)C(C)(C)C)c1[O-] ZINC000134437610 626876742 /nfs/dbraw/zinc/87/67/42/626876742.db2.gz QNIMVNWJHKRQDY-CQSZACIVSA-N 1 1 313.825 3.087 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](CO)C(C)(C)C)c1O ZINC000134437610 626876745 /nfs/dbraw/zinc/87/67/45/626876745.db2.gz QNIMVNWJHKRQDY-CQSZACIVSA-N 1 1 313.825 3.087 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](CO)C(C)(C)C)c1O ZINC000134437610 626876749 /nfs/dbraw/zinc/87/67/49/626876749.db2.gz QNIMVNWJHKRQDY-CQSZACIVSA-N 1 1 313.825 3.087 20 10 DGCDMO CS[C@H]1CCCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000134564038 626881894 /nfs/dbraw/zinc/88/18/94/626881894.db2.gz NYVHCYBSJJHUCQ-AWEZNQCLSA-N 1 1 311.422 3.451 20 10 DGCDMO CC[N@@H+](CCO)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809538475 626917427 /nfs/dbraw/zinc/91/74/27/626917427.db2.gz MXPILSAGRPGBSV-UHFFFAOYSA-N 1 1 310.441 3.064 20 10 DGCDMO C[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCOC1 ZINC000809566840 626920475 /nfs/dbraw/zinc/92/04/75/626920475.db2.gz UBKUFPSSXUPYPS-FQEVSTJZSA-N 1 1 322.452 3.470 20 10 DGCDMO C[C@@H](O)CC[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809578776 626922446 /nfs/dbraw/zinc/92/24/46/626922446.db2.gz QMVPGHJYEGPZPZ-QGZVFWFLSA-N 1 1 324.468 3.452 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000809693015 626937192 /nfs/dbraw/zinc/93/71/92/626937192.db2.gz LWUGIBXFNIDULH-CQSZACIVSA-N 1 1 316.367 3.382 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c1 ZINC000809700560 626938719 /nfs/dbraw/zinc/93/87/19/626938719.db2.gz JCHCAWHNDHMRSM-HOCLYGCPSA-N 1 1 307.434 3.306 20 10 DGCDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809701401 626938793 /nfs/dbraw/zinc/93/87/93/626938793.db2.gz XMGSSYZFWYQRKE-GOEBONIOSA-N 1 1 308.441 3.407 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c(O)c1 ZINC000809700707 626938908 /nfs/dbraw/zinc/93/89/08/626938908.db2.gz MWNAIOJHIWETMY-HOCLYGCPSA-N 1 1 307.434 3.306 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(C)no2)c(O)c1 ZINC000809718651 626941196 /nfs/dbraw/zinc/94/11/96/626941196.db2.gz MMCMBYJVVGXWCC-HNNXBMFYSA-N 1 1 317.389 3.210 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2nc(C)no2)c(O)c1 ZINC000809718651 626941199 /nfs/dbraw/zinc/94/11/99/626941199.db2.gz MMCMBYJVVGXWCC-HNNXBMFYSA-N 1 1 317.389 3.210 20 10 DGCDMO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(C)c1O ZINC000809724871 626941829 /nfs/dbraw/zinc/94/18/29/626941829.db2.gz CKMYXOAWRXWWLH-MRXNPFEDSA-N 1 1 320.433 3.191 20 10 DGCDMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C)ccc1O ZINC000809723333 626942104 /nfs/dbraw/zinc/94/21/04/626942104.db2.gz HALKAMFIDFMLLN-MRXNPFEDSA-N 1 1 320.433 3.143 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758537 626947927 /nfs/dbraw/zinc/94/79/27/626947927.db2.gz PJIYNRGKYJAHJC-HUUCEWRRSA-N 1 1 305.418 3.039 20 10 DGCDMO C[C@]1(CCCO)CCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000809757724 626948026 /nfs/dbraw/zinc/94/80/26/626948026.db2.gz SFBWHSRPVWYWAZ-OAHLLOKOSA-N 1 1 301.789 3.312 20 10 DGCDMO C[C@]1(CCCO)CCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000809757724 626948029 /nfs/dbraw/zinc/94/80/29/626948029.db2.gz SFBWHSRPVWYWAZ-OAHLLOKOSA-N 1 1 301.789 3.312 20 10 DGCDMO C[N@H+](Cc1c(O)ccc(Cl)c1F)C1CCC(CO)CC1 ZINC000809764249 626948695 /nfs/dbraw/zinc/94/86/95/626948695.db2.gz HPCVXCSJVHQDPT-UHFFFAOYSA-N 1 1 301.789 3.168 20 10 DGCDMO C[N@@H+](Cc1c(O)ccc(Cl)c1F)C1CCC(CO)CC1 ZINC000809764249 626948698 /nfs/dbraw/zinc/94/86/98/626948698.db2.gz HPCVXCSJVHQDPT-UHFFFAOYSA-N 1 1 301.789 3.168 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2CCNC(=O)C[C@@H]2C)cc1 ZINC000809765256 626949233 /nfs/dbraw/zinc/94/92/33/626949233.db2.gz NFCBPMJKIMVQMM-INIZCTEOSA-N 1 1 317.477 3.023 20 10 DGCDMO C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767725 626950404 /nfs/dbraw/zinc/95/04/04/626950404.db2.gz SBDLNVKUHMTCTE-XHDPSFHLSA-N 1 1 312.816 3.101 20 10 DGCDMO C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767725 626950405 /nfs/dbraw/zinc/95/04/05/626950405.db2.gz SBDLNVKUHMTCTE-XHDPSFHLSA-N 1 1 312.816 3.101 20 10 DGCDMO C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809767725 626950408 /nfs/dbraw/zinc/95/04/08/626950408.db2.gz SBDLNVKUHMTCTE-XHDPSFHLSA-N 1 1 312.816 3.101 20 10 DGCDMO CN(C)c1ccc(OCC[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000810002496 626967552 /nfs/dbraw/zinc/96/75/52/626967552.db2.gz YVUDTLMNTIGZRM-UHFFFAOYSA-N 1 1 302.393 3.403 20 10 DGCDMO Cc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)C2 ZINC000810259513 626993933 /nfs/dbraw/zinc/99/39/33/626993933.db2.gz KLSOKKBRPXQNFJ-IUODEOHRSA-N 1 1 301.361 3.494 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2C[C@@]23CCOC3)cc1 ZINC000885940446 627065370 /nfs/dbraw/zinc/06/53/70/627065370.db2.gz JQTKFQZTZMLXTE-IEBWSBKVSA-N 1 1 302.462 3.391 20 10 DGCDMO C[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2O)CCOC2(CCC2)C1 ZINC000886341498 627140573 /nfs/dbraw/zinc/14/05/73/627140573.db2.gz WBCZTJGWWWQACE-MRXNPFEDSA-N 1 1 311.372 3.499 20 10 DGCDMO COc1ccc(CC[NH2+][C@@H](C)c2c(O)cccc2F)cc1OC ZINC000886487449 627152225 /nfs/dbraw/zinc/15/22/25/627152225.db2.gz FDGSAPGXXBODDC-LBPRGKRZSA-N 1 1 319.376 3.442 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1c(O)cccc1F ZINC000886501488 627153643 /nfs/dbraw/zinc/15/36/43/627153643.db2.gz MQILCOGGTRNTPO-ZDUSSCGKSA-N 1 1 315.392 3.377 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1c(O)cccc1F ZINC000886511327 627155080 /nfs/dbraw/zinc/15/50/80/627155080.db2.gz QKPLTMOLYRFULZ-ZFWWWQNUSA-N 1 1 303.377 3.033 20 10 DGCDMO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1c(O)cccc1F ZINC000886511152 627155138 /nfs/dbraw/zinc/15/51/38/627155138.db2.gz KMVXUTSMDLXVRP-GXTWGEPZSA-N 1 1 321.367 3.172 20 10 DGCDMO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1c(O)cccc1F ZINC000886520716 627156125 /nfs/dbraw/zinc/15/61/25/627156125.db2.gz LABAPVGJZYFMQJ-JTQLQIEISA-N 1 1 320.330 3.209 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)[C@H](O)c1ccc(F)cc1 ZINC000886527921 627157170 /nfs/dbraw/zinc/15/71/70/627157170.db2.gz CKVZNDYHOKNKRC-RVPKQNPDSA-N 1 1 307.340 3.443 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)[C@H](O)Cc1ccccc1 ZINC000886553440 627161731 /nfs/dbraw/zinc/16/17/31/627161731.db2.gz NFSUDLPDIWEGCV-IIYDPXPESA-N 1 1 303.377 3.174 20 10 DGCDMO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1c(O)cccc1F ZINC000886557314 627162773 /nfs/dbraw/zinc/16/27/73/627162773.db2.gz YFJQYEMREVSERG-NSHDSACASA-N 1 1 304.321 3.333 20 10 DGCDMO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2c(O)cccc2F)C1 ZINC000886593914 627169484 /nfs/dbraw/zinc/16/94/84/627169484.db2.gz BOCMNCKOLOLDIW-XQQFMLRXSA-N 1 1 324.396 3.049 20 10 DGCDMO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2c(O)cccc2F)C1 ZINC000886593911 627169518 /nfs/dbraw/zinc/16/95/18/627169518.db2.gz BOCMNCKOLOLDIW-AGIUHOORSA-N 1 1 324.396 3.049 20 10 DGCDMO CC(C)[C@@H](C[NH2+][C@H](C)c1c(O)cccc1F)c1ccnn1C ZINC000886599313 627170651 /nfs/dbraw/zinc/17/06/51/627170651.db2.gz WDUVWGNIUVACRC-CHWSQXEVSA-N 1 1 305.397 3.355 20 10 DGCDMO C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1c(O)cccc1F ZINC000886605822 627171407 /nfs/dbraw/zinc/17/14/07/627171407.db2.gz ZHTPETGLJNJTMJ-LLVKDONJSA-N 1 1 321.421 3.307 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1c(O)cccc1F ZINC000886609233 627172526 /nfs/dbraw/zinc/17/25/26/627172526.db2.gz OYCGJHMCVTWPOW-VERVWZFWSA-N 1 1 321.417 3.261 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccncc2)C1)c1c(O)cccc1F ZINC000886620132 627174841 /nfs/dbraw/zinc/17/48/41/627174841.db2.gz CJMSTNKOUMCJHN-JDFRZJQESA-N 1 1 316.376 3.497 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886626490 627176210 /nfs/dbraw/zinc/17/62/10/627176210.db2.gz CXFKMKUVARQCMG-DGCLKSJQSA-N 1 1 307.340 3.097 20 10 DGCDMO COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886634866 627177098 /nfs/dbraw/zinc/17/70/98/627177098.db2.gz ORRKXLZFAMOSTA-LBPRGKRZSA-N 1 1 317.360 3.098 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1c(O)cccc1F ZINC000886632851 627177349 /nfs/dbraw/zinc/17/73/49/627177349.db2.gz HRXXXQSEOOIPJQ-IAQYHMDHSA-N 1 1 314.360 3.135 20 10 DGCDMO Cc1cccc2nc(CC[NH2+][C@@H](C)c3c(O)cccc3F)cn21 ZINC000886631280 627177356 /nfs/dbraw/zinc/17/73/56/627177356.db2.gz IWIDIQLHRWCJAC-ZDUSSCGKSA-N 1 1 313.376 3.381 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CC(C)(C)[C@H]3C3CC3)cc2)CC1 ZINC000811513968 627286303 /nfs/dbraw/zinc/28/63/03/627286303.db2.gz XYSSTQNARPQMGT-LJQANCHMSA-N 1 1 313.489 3.059 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CC(C)(C)[C@H]3C3CC3)cc2)CC1 ZINC000811513968 627286307 /nfs/dbraw/zinc/28/63/07/627286307.db2.gz XYSSTQNARPQMGT-LJQANCHMSA-N 1 1 313.489 3.059 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)cc1 ZINC000811520060 627286882 /nfs/dbraw/zinc/28/68/82/627286882.db2.gz JBQUVJMGJYASRL-IBGZPJMESA-N 1 1 312.461 3.485 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(O)c1 ZINC000811518812 627287438 /nfs/dbraw/zinc/28/74/38/627287438.db2.gz PEXSFYIWAVMKQO-QZTJIDSGSA-N 1 1 317.429 3.324 20 10 DGCDMO CC1(C)C[N@@H+](Cc2c(O)ccc3ccncc32)[C@@H]1[C@H]1CCCO1 ZINC000811776215 627320180 /nfs/dbraw/zinc/32/01/80/627320180.db2.gz LHYWBKQGNGBFRA-QZTJIDSGSA-N 1 1 312.413 3.330 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811790538 627322756 /nfs/dbraw/zinc/32/27/56/627322756.db2.gz NCQJNAGBMYWQPW-RTBURBONSA-N 1 1 324.424 3.474 20 10 DGCDMO CC(C)[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCOC1 ZINC000812292324 627368079 /nfs/dbraw/zinc/36/80/79/627368079.db2.gz RTXMFVMIRMSTKN-HNNXBMFYSA-N 1 1 307.434 3.395 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1F ZINC000814178139 627547392 /nfs/dbraw/zinc/54/73/92/627547392.db2.gz DFXSKQGDHWEHEQ-IBGZPJMESA-N 1 1 319.468 3.200 20 10 DGCDMO Cc1cc[nH+]c(NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000840325514 627583545 /nfs/dbraw/zinc/58/35/45/627583545.db2.gz HJNZADAPFDOAJK-UHFFFAOYSA-N 1 1 319.355 3.117 20 10 DGCDMO Cc1cc(C[N@@H+]2CCC[C@H]2CN2CCCC2)ccc1N(C)C ZINC000815033707 627618433 /nfs/dbraw/zinc/61/84/33/627618433.db2.gz QIRYKIDPQOJKDC-SFHVURJKSA-N 1 1 301.478 3.121 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@H]2CN2CCCC2)ccc1N(C)C ZINC000815033707 627618436 /nfs/dbraw/zinc/61/84/36/627618436.db2.gz QIRYKIDPQOJKDC-SFHVURJKSA-N 1 1 301.478 3.121 20 10 DGCDMO C[C@H]([NH2+]CCc1cnn(C)c1)c1cccc(C(F)(F)F)c1O ZINC000815562236 627684993 /nfs/dbraw/zinc/68/49/93/627684993.db2.gz ADLYFFPUEIKDSU-JTQLQIEISA-N 1 1 313.323 3.038 20 10 DGCDMO C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc(C(F)(F)F)c1O ZINC000815585987 627688472 /nfs/dbraw/zinc/68/84/72/627688472.db2.gz WTXZRCBLMLRZMD-NWDGAFQWSA-N 1 1 316.367 3.403 20 10 DGCDMO C[C@@H]([NH2+]CCc1ccnn1C)c1cccc(C(F)(F)F)c1O ZINC000815616682 627691015 /nfs/dbraw/zinc/69/10/15/627691015.db2.gz VTLSCPCWXWGZET-SNVBAGLBSA-N 1 1 313.323 3.038 20 10 DGCDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC000816515146 627800291 /nfs/dbraw/zinc/80/02/91/627800291.db2.gz QTDQMNAASIYZEI-WCQYABFASA-N 1 1 314.832 3.489 20 10 DGCDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC000816515146 627800292 /nfs/dbraw/zinc/80/02/92/627800292.db2.gz QTDQMNAASIYZEI-WCQYABFASA-N 1 1 314.832 3.489 20 10 DGCDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC000816515146 627800293 /nfs/dbraw/zinc/80/02/93/627800293.db2.gz QTDQMNAASIYZEI-WCQYABFASA-N 1 1 314.832 3.489 20 10 DGCDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000816514723 627800351 /nfs/dbraw/zinc/80/03/51/627800351.db2.gz FXVVOTZUBYVTHP-ABAIWWIYSA-N 1 1 314.832 3.347 20 10 DGCDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000816514723 627800354 /nfs/dbraw/zinc/80/03/54/627800354.db2.gz FXVVOTZUBYVTHP-ABAIWWIYSA-N 1 1 314.832 3.347 20 10 DGCDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000816514723 627800356 /nfs/dbraw/zinc/80/03/56/627800356.db2.gz FXVVOTZUBYVTHP-ABAIWWIYSA-N 1 1 314.832 3.347 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)Nc1ccccc1 ZINC000816549010 627805643 /nfs/dbraw/zinc/80/56/43/627805643.db2.gz ADWWJRMFGSICPZ-JTQLQIEISA-N 1 1 322.767 3.302 20 10 DGCDMO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816550548 627806002 /nfs/dbraw/zinc/80/60/02/627806002.db2.gz UQNPOYOTOCBQRP-AWEZNQCLSA-N 1 1 321.783 3.450 20 10 DGCDMO Cc1ncc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)s1 ZINC000816557881 627807489 /nfs/dbraw/zinc/80/74/89/627807489.db2.gz FFLVYGNCXUCIIS-UHFFFAOYSA-N 1 1 300.786 3.282 20 10 DGCDMO CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816559667 627807762 /nfs/dbraw/zinc/80/77/62/627807762.db2.gz QVWGIFFRWWJAQL-CQSZACIVSA-N 1 1 303.805 3.317 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H]1CCCC[C@@H]1O ZINC000816564437 627808238 /nfs/dbraw/zinc/80/82/38/627808238.db2.gz GFKFHRYIXDOZEO-HZMBPMFUSA-N 1 1 301.789 3.168 20 10 DGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H]1CCCC[C@@H]1O ZINC000816564437 627808241 /nfs/dbraw/zinc/80/82/41/627808241.db2.gz GFKFHRYIXDOZEO-HZMBPMFUSA-N 1 1 301.789 3.168 20 10 DGCDMO C[C@@H](CCO)C1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCC1 ZINC000816560528 627808497 /nfs/dbraw/zinc/80/84/97/627808497.db2.gz RKRDLNODYCATAQ-NSHDSACASA-N 1 1 315.816 3.463 20 10 DGCDMO COCCCOCC[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816565702 627809374 /nfs/dbraw/zinc/80/93/74/627809374.db2.gz YYMVHYDHMLTYRL-UHFFFAOYSA-N 1 1 303.402 3.030 20 10 DGCDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816587771 627811730 /nfs/dbraw/zinc/81/17/30/627811730.db2.gz VXGKGHUKQBSKSJ-RULNRJAQSA-N 1 1 301.789 3.166 20 10 DGCDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816587771 627811734 /nfs/dbraw/zinc/81/17/34/627811734.db2.gz VXGKGHUKQBSKSJ-RULNRJAQSA-N 1 1 301.789 3.166 20 10 DGCDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816587771 627811738 /nfs/dbraw/zinc/81/17/38/627811738.db2.gz VXGKGHUKQBSKSJ-RULNRJAQSA-N 1 1 301.789 3.166 20 10 DGCDMO C[N@H+]1CCN(Cc2cc(Cl)ccc2O)c2ccccc2C1 ZINC000816617781 627815611 /nfs/dbraw/zinc/81/56/11/627815611.db2.gz IPHWVGUQXNXEFO-UHFFFAOYSA-N 1 1 302.805 3.498 20 10 DGCDMO C[N@H+]1CCN(Cc2cccc(Cl)c2O)c2ccccc2C1 ZINC000816618124 627815632 /nfs/dbraw/zinc/81/56/32/627815632.db2.gz PILUMDSNAKGEOV-UHFFFAOYSA-N 1 1 302.805 3.498 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c(O)c1 ZINC000816667905 627823840 /nfs/dbraw/zinc/82/38/40/627823840.db2.gz ZIQCXVOLHMUEIO-INIZCTEOSA-N 1 1 305.418 3.182 20 10 DGCDMO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817412700 627895939 /nfs/dbraw/zinc/89/59/39/627895939.db2.gz OIORRRGJWHCWBS-AEFFLSMTSA-N 1 1 302.462 3.127 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)cc1F ZINC000817412342 627896328 /nfs/dbraw/zinc/89/63/28/627896328.db2.gz IYJVKHKKRYYZIH-GOEBONIOSA-N 1 1 308.441 3.122 20 10 DGCDMO CN(C)c1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1F ZINC000817901166 627956074 /nfs/dbraw/zinc/95/60/74/627956074.db2.gz SVONSIRNCZUOKW-BPQIPLTHSA-N 1 1 319.468 3.292 20 10 DGCDMO C[C@@H](NC1CC[NH2+]CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817937202 627966262 /nfs/dbraw/zinc/96/62/62/627966262.db2.gz VBWUHDCCTCXXKV-CQSZACIVSA-N 1 1 305.441 3.219 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc(F)cc(F)c1 ZINC000817938565 627966888 /nfs/dbraw/zinc/96/68/88/627966888.db2.gz NGKWQHKPIXQQLN-KZULUSFZSA-N 1 1 319.399 3.381 20 10 DGCDMO Cc1ccc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817939117 627967236 /nfs/dbraw/zinc/96/72/36/627967236.db2.gz ZEZGXRIWUUKZNH-CJNGLKHVSA-N 1 1 303.475 3.473 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCCNC1)c1ccc(N2CCCCCC2)cc1 ZINC000817940076 627967730 /nfs/dbraw/zinc/96/77/30/627967730.db2.gz DDSGCTXGUGVHHZ-WMZOPIPTSA-N 1 1 301.478 3.470 20 10 DGCDMO CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817940844 627968653 /nfs/dbraw/zinc/96/86/53/627968653.db2.gz LGBILDZLUCIXJL-CABZTGNLSA-N 1 1 303.233 3.492 20 10 DGCDMO CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817959891 627975450 /nfs/dbraw/zinc/97/54/50/627975450.db2.gz WHVKONDROZCXQH-WDEREUQCSA-N 1 1 304.356 3.435 20 10 DGCDMO C[C@H](N[C@H](C[NH3+])C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817959865 627975906 /nfs/dbraw/zinc/97/59/06/627975906.db2.gz JSBXDQTZNBWJAZ-HNAYVOBHSA-N 1 1 301.478 3.455 20 10 DGCDMO C[C@@H](N[C@@H](C[NH3+])C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817959861 627976141 /nfs/dbraw/zinc/97/61/41/627976141.db2.gz JSBXDQTZNBWJAZ-BEFAXECRSA-N 1 1 301.478 3.455 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cc(Br)ccc1[O-] ZINC000817976545 627981817 /nfs/dbraw/zinc/98/18/17/627981817.db2.gz NERKVNTXSSFJTQ-WDEREUQCSA-N 1 1 315.255 3.323 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccc(F)cc1O ZINC000926922754 627981929 /nfs/dbraw/zinc/98/19/29/627981929.db2.gz RRRRPMUGMGXQEN-CMPLNLGQSA-N 1 1 320.330 3.209 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1c(O)cccc1F ZINC000926928391 627983568 /nfs/dbraw/zinc/98/35/68/627983568.db2.gz ZKXLYAQESHJFCK-MRVPVSSYSA-N 1 1 317.286 3.134 20 10 DGCDMO C[C@H]([NH2+]CCO[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1O ZINC000927080406 628009391 /nfs/dbraw/zinc/00/93/91/628009391.db2.gz IYQVOSYMUXKHDX-UWVGGRQHSA-N 1 1 320.216 3.155 20 10 DGCDMO CCOCCOCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000927087380 628010969 /nfs/dbraw/zinc/01/09/69/628010969.db2.gz NEKFDDOGPPCDAU-JTQLQIEISA-N 1 1 322.232 3.403 20 10 DGCDMO CC[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(F)cc1O ZINC000927108663 628016217 /nfs/dbraw/zinc/01/62/17/628016217.db2.gz SGFGZFNMMYTNOP-HNNXBMFYSA-N 1 1 303.381 3.383 20 10 DGCDMO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)s1 ZINC000818357295 628017671 /nfs/dbraw/zinc/01/76/71/628017671.db2.gz YLMVHZQZPDLTQN-MNOVXSKESA-N 1 1 320.414 3.356 20 10 DGCDMO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1c(O)cccc1F ZINC000927139267 628024691 /nfs/dbraw/zinc/02/46/91/628024691.db2.gz KGAYTMKXIXHUBP-LSKLOWJMSA-N 1 1 301.361 3.230 20 10 DGCDMO COc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1O ZINC000822529348 628462118 /nfs/dbraw/zinc/46/21/18/628462118.db2.gz DADFVFREKVMVPL-SFHVURJKSA-N 1 1 317.429 3.182 20 10 DGCDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824272022 628645891 /nfs/dbraw/zinc/64/58/91/628645891.db2.gz PPWGOUOQCLGXJN-RHSMWYFYSA-N 1 1 316.470 3.340 20 10 DGCDMO CC[N@@H+](Cc1c(C2CC2)cnn1C)Cc1ccc(N(C)C)cc1 ZINC000824484801 628665011 /nfs/dbraw/zinc/66/50/11/628665011.db2.gz VBTHSOQLQSVQTB-UHFFFAOYSA-N 1 1 312.461 3.386 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](CCO)Cc2ccccc2)cc1Cl ZINC000824484492 628665021 /nfs/dbraw/zinc/66/50/21/628665021.db2.gz KBCZHMJFHYWFHU-UHFFFAOYSA-N 1 1 305.805 3.349 20 10 DGCDMO CC[N@H+](Cc1ccc(Br)cc1O)C[C@H]1CCOC1 ZINC000824575655 628672205 /nfs/dbraw/zinc/67/22/05/628672205.db2.gz LRWRAFDIDVHMQD-LLVKDONJSA-N 1 1 314.223 3.013 20 10 DGCDMO Cc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000824636839 628679489 /nfs/dbraw/zinc/67/94/89/628679489.db2.gz UHQMZMYDOUEEAK-PKOBYXMFSA-N 1 1 315.388 3.001 20 10 DGCDMO [O-]c1c(F)cccc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824893247 628703946 /nfs/dbraw/zinc/70/39/46/628703946.db2.gz NZGMZZQRSZARLP-ZBFHGGJFSA-N 1 1 305.393 3.312 20 10 DGCDMO Oc1c(F)cccc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824893247 628703949 /nfs/dbraw/zinc/70/39/49/628703949.db2.gz NZGMZZQRSZARLP-ZBFHGGJFSA-N 1 1 305.393 3.312 20 10 DGCDMO Oc1c(F)cccc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000824893247 628703952 /nfs/dbraw/zinc/70/39/52/628703952.db2.gz NZGMZZQRSZARLP-ZBFHGGJFSA-N 1 1 305.393 3.312 20 10 DGCDMO CC1(C)C[C@@H](O)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000825090954 628727067 /nfs/dbraw/zinc/72/70/67/628727067.db2.gz OSIANHGDVKMJTA-JTQLQIEISA-N 1 1 301.789 3.168 20 10 DGCDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000825090954 628727069 /nfs/dbraw/zinc/72/70/69/628727069.db2.gz OSIANHGDVKMJTA-JTQLQIEISA-N 1 1 301.789 3.168 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c(O)c(C(C)(C)C)c1 ZINC000825451665 628763051 /nfs/dbraw/zinc/76/30/51/628763051.db2.gz XGIRRIBGBIMQRU-UONOGXRCSA-N 1 1 321.461 3.291 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCc3cc[nH]c(=O)c3C2)cc1Cl ZINC000825693308 628786374 /nfs/dbraw/zinc/78/63/74/628786374.db2.gz WALJBXGGAHHYTL-UHFFFAOYSA-N 1 1 304.777 3.013 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCCN(CC(F)F)CC2)cc1Cl ZINC000825928092 628810994 /nfs/dbraw/zinc/81/09/94/628810994.db2.gz MJIUJMDPYOGTBP-UHFFFAOYSA-N 1 1 318.795 3.127 20 10 DGCDMO Oc1cc(Br)ccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000826142650 628830558 /nfs/dbraw/zinc/83/05/58/628830558.db2.gz HFSNNTYEOBZOIR-LBPRGKRZSA-N 1 1 318.161 3.386 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)c1 ZINC000827544510 628969376 /nfs/dbraw/zinc/96/93/76/628969376.db2.gz CSKUFFIHHSMPOE-KRWDZBQOSA-N 1 1 312.413 3.112 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCC1SCCS1 ZINC000827674835 628982202 /nfs/dbraw/zinc/98/22/02/628982202.db2.gz UWWGGUDGMBTCRY-UHFFFAOYSA-N 1 1 307.843 3.471 20 10 DGCDMO CCC[N@H+](C)CC(C)(C)NCc1cc(Cl)cc(OC)c1O ZINC000827722956 628986017 /nfs/dbraw/zinc/98/60/17/628986017.db2.gz ZOUUQBNRBFSYJQ-UHFFFAOYSA-N 1 1 314.857 3.264 20 10 DGCDMO CCC[N@@H+](C)CC(C)(C)NCc1cc(Cl)cc(OC)c1O ZINC000827722956 628986019 /nfs/dbraw/zinc/98/60/19/628986019.db2.gz ZOUUQBNRBFSYJQ-UHFFFAOYSA-N 1 1 314.857 3.264 20 10 DGCDMO O=C1CC[C@H](C[N@H+](Cc2ccccc2O)C2CCCC2)CCN1 ZINC000827813692 628993921 /nfs/dbraw/zinc/99/39/21/628993921.db2.gz YLZJBMZKHHRIII-HNNXBMFYSA-N 1 1 316.445 3.053 20 10 DGCDMO CCC[N@H+](Cc1nc(C(=O)OC)cs1)Cc1ccccc1O ZINC000827938001 629005271 /nfs/dbraw/zinc/00/52/71/629005271.db2.gz GMWAYHRFDCKBKN-UHFFFAOYSA-N 1 1 320.414 3.048 20 10 DGCDMO CCC[N@@H+](Cc1nc(C(=O)OC)cs1)Cc1ccccc1O ZINC000827938001 629005275 /nfs/dbraw/zinc/00/52/75/629005275.db2.gz GMWAYHRFDCKBKN-UHFFFAOYSA-N 1 1 320.414 3.048 20 10 DGCDMO CC1CCC(O)(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000827948165 629007340 /nfs/dbraw/zinc/00/73/40/629007340.db2.gz HBAMZYSJOXYYCK-UHFFFAOYSA-N 1 1 301.789 3.216 20 10 DGCDMO C[C@H](c1ccccc1)[N@@H+](CC[S@@](C)=O)Cc1ccccc1O ZINC000828564196 629068474 /nfs/dbraw/zinc/06/84/74/629068474.db2.gz NNOQTXXVHWDKCI-IVZQSRNASA-N 1 1 317.454 3.334 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)ccc1N1CCCCC1 ZINC000828755376 629088113 /nfs/dbraw/zinc/08/81/13/629088113.db2.gz MTLCKXBVQHLDIB-FUHWJXTLSA-N 1 1 302.462 3.188 20 10 DGCDMO CCN(C)c1ccc(CN2CC[N@H+](C3CC3)C[C@H](C)C2)cc1 ZINC000830087265 629223466 /nfs/dbraw/zinc/22/34/66/629223466.db2.gz CLCFENUCYIKCML-MRXNPFEDSA-N 1 1 301.478 3.059 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CCN(C3CC3)C[C@H](C)C2)cc1 ZINC000830087265 629223470 /nfs/dbraw/zinc/22/34/70/629223470.db2.gz CLCFENUCYIKCML-MRXNPFEDSA-N 1 1 301.478 3.059 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCN(C3CC3)C[C@H](C)C2)cc1 ZINC000830087265 629223472 /nfs/dbraw/zinc/22/34/72/629223472.db2.gz CLCFENUCYIKCML-MRXNPFEDSA-N 1 1 301.478 3.059 20 10 DGCDMO CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)c1O ZINC000832779519 629514033 /nfs/dbraw/zinc/51/40/33/629514033.db2.gz ZNGOPAAESZRYKD-OAHLLOKOSA-N 1 1 324.852 3.163 20 10 DGCDMO CC[N@H+](Cc1cc2c(cc1O)OCO2)Cc1c(F)cccc1F ZINC000101538524 629731771 /nfs/dbraw/zinc/73/17/71/629731771.db2.gz DHIGPTOPEYFEAQ-UHFFFAOYSA-N 1 1 321.323 3.421 20 10 DGCDMO CC[N@@H+](Cc1cc2c(cc1O)OCO2)Cc1c(F)cccc1F ZINC000101538524 629731773 /nfs/dbraw/zinc/73/17/73/629731773.db2.gz DHIGPTOPEYFEAQ-UHFFFAOYSA-N 1 1 321.323 3.421 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1O ZINC000834831540 629786059 /nfs/dbraw/zinc/78/60/59/629786059.db2.gz JUXLDMKATUXMNN-JOYOIKCWSA-N 1 1 311.307 3.403 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc(C(F)(F)F)c1O ZINC000834906676 629804624 /nfs/dbraw/zinc/80/46/24/629804624.db2.gz RTMNJWGRXZEFAJ-TVQRCGJNSA-N 1 1 303.324 3.223 20 10 DGCDMO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000834905235 629804657 /nfs/dbraw/zinc/80/46/57/629804657.db2.gz USLFBSBJAGMGHQ-REAQECSSSA-N 1 1 320.216 3.154 20 10 DGCDMO C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(Cl)c(Cl)cc1O ZINC000834908563 629806156 /nfs/dbraw/zinc/80/61/56/629806156.db2.gz KLBNURUBPAKJNN-CLAHSXSESA-N 1 1 317.216 3.018 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000834910606 629806596 /nfs/dbraw/zinc/80/65/96/629806596.db2.gz ILFFLLZRTNIWRU-PIGZYNQJSA-N 1 1 303.402 3.408 20 10 DGCDMO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(F)cc2O)cc1C ZINC000834916443 629808269 /nfs/dbraw/zinc/80/82/69/629808269.db2.gz YUAZMYYJKJOXHB-PBHICJAKSA-N 1 1 317.404 3.402 20 10 DGCDMO CCC(C)(C)OCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000834916354 629808327 /nfs/dbraw/zinc/80/83/27/629808327.db2.gz WJTSOLBXWPOSCZ-LBPRGKRZSA-N 1 1 309.406 3.035 20 10 DGCDMO CC(C)[N@H+]1CCCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835025211 629828207 /nfs/dbraw/zinc/82/82/07/629828207.db2.gz GLIDBNOZZKZFHQ-FNORWQNLSA-N 1 1 301.478 3.182 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000835028302 629828768 /nfs/dbraw/zinc/82/87/68/629828768.db2.gz LVSIJBNQAPSYQW-ARJAWSKDSA-N 1 1 300.446 3.268 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000835029831 629829821 /nfs/dbraw/zinc/82/98/21/629829821.db2.gz SXJHTZKMTOTFSC-QEVIJRNUSA-N 1 1 322.452 3.358 20 10 DGCDMO CC(C)[N@@H+]1CCC[C@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835038580 629831259 /nfs/dbraw/zinc/83/12/59/629831259.db2.gz UBTQVEJJWAEVGR-WSSFADSRSA-N 1 1 315.505 3.476 20 10 DGCDMO CC(C)[N@H+]1CCC[C@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835038580 629831265 /nfs/dbraw/zinc/83/12/65/629831265.db2.gz UBTQVEJJWAEVGR-WSSFADSRSA-N 1 1 315.505 3.476 20 10 DGCDMO CN(C)c1ccc(/C=C/C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC000835041279 629832342 /nfs/dbraw/zinc/83/23/42/629832342.db2.gz AARVGOLTIBHCBW-GHDGWMACSA-N 1 1 313.489 3.371 20 10 DGCDMO CC(C)c1nnc([C@H](C)[NH2+]CC=Cc2ccc(N(C)C)cc2)[nH]1 ZINC000835042388 629832637 /nfs/dbraw/zinc/83/26/37/629832637.db2.gz UXFCWJXEJUYTRC-AFNCTOJWSA-N 1 1 313.449 3.358 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000835049015 629835446 /nfs/dbraw/zinc/83/54/46/629835446.db2.gz DLKVQZJVBHRLIL-SIEMBAAWSA-N 1 1 300.446 3.268 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000835049551 629836289 /nfs/dbraw/zinc/83/62/89/629836289.db2.gz KAEYMBVNYXFOJN-KZFWWMDYSA-N 1 1 300.446 3.409 20 10 DGCDMO Cc1nccn1CCC[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835052496 629836833 /nfs/dbraw/zinc/83/68/33/629836833.db2.gz DPFWROYBOGXRIB-FNORWQNLSA-N 1 1 312.461 3.293 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)[C@@H](CO)c2ccccc2)cc1 ZINC000835053458 629837585 /nfs/dbraw/zinc/83/75/85/629837585.db2.gz COWRAVANZPVKHC-DUIUGDAFSA-N 1 1 310.441 3.431 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@]2(C)CCCO)cc1 ZINC000835053114 629837826 /nfs/dbraw/zinc/83/78/26/629837826.db2.gz KUAVSMKNGCXIJC-BQHGXPCASA-N 1 1 302.462 3.393 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@H](C3CC3)C3CCC3)cc2)CC1 ZINC000835068915 629842292 /nfs/dbraw/zinc/84/22/92/629842292.db2.gz JDBYHEPLTUIJLP-FQEVSTJZSA-N 1 1 313.489 3.107 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)CC(F)(F)F)c1 ZINC000840870835 630369527 /nfs/dbraw/zinc/36/95/27/630369527.db2.gz AHHDFHRTRWRMGR-NXEZZACHSA-N 1 1 319.323 3.418 20 10 DGCDMO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840893336 630373976 /nfs/dbraw/zinc/37/39/76/630373976.db2.gz ITNQUYXYZCIIDQ-KGLIPLIRSA-N 1 1 300.450 3.374 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000840910386 630376552 /nfs/dbraw/zinc/37/65/52/630376552.db2.gz SAXPBJAOQUHPLU-UHFFFAOYSA-N 1 1 303.494 3.366 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000840910386 630376554 /nfs/dbraw/zinc/37/65/54/630376554.db2.gz SAXPBJAOQUHPLU-UHFFFAOYSA-N 1 1 303.494 3.366 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+](C)C1CCN(C(C)C)CC1 ZINC000840910386 630376558 /nfs/dbraw/zinc/37/65/58/630376558.db2.gz SAXPBJAOQUHPLU-UHFFFAOYSA-N 1 1 303.494 3.366 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c(Cl)c1 ZINC000840914220 630377342 /nfs/dbraw/zinc/37/73/42/630377342.db2.gz RKXJSVVDMJONLN-CYBMUJFWSA-N 1 1 305.809 3.388 20 10 DGCDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)cc2C)C[C@H]1C ZINC000840918611 630378386 /nfs/dbraw/zinc/37/83/86/630378386.db2.gz WPYZFDVNIPAARU-VQIMIIECSA-N 1 1 303.494 3.366 20 10 DGCDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2C)C[C@H]1C ZINC000840918611 630378388 /nfs/dbraw/zinc/37/83/88/630378388.db2.gz WPYZFDVNIPAARU-VQIMIIECSA-N 1 1 303.494 3.366 20 10 DGCDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C)C[C@H]1C ZINC000840918611 630378389 /nfs/dbraw/zinc/37/83/89/630378389.db2.gz WPYZFDVNIPAARU-VQIMIIECSA-N 1 1 303.494 3.366 20 10 DGCDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2C)C[C@H]1C ZINC000840918611 630378392 /nfs/dbraw/zinc/37/83/92/630378392.db2.gz WPYZFDVNIPAARU-VQIMIIECSA-N 1 1 303.494 3.366 20 10 DGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C)C[C@H]1C ZINC000840918611 630378395 /nfs/dbraw/zinc/37/83/95/630378395.db2.gz WPYZFDVNIPAARU-VQIMIIECSA-N 1 1 303.494 3.366 20 10 DGCDMO Cc1cc([O-])c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000840941479 630381527 /nfs/dbraw/zinc/38/15/27/630381527.db2.gz ZDCRLYZYSBXIRI-UHFFFAOYSA-N 1 1 308.853 3.318 20 10 DGCDMO CCOc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000840956308 630385163 /nfs/dbraw/zinc/38/51/63/630385163.db2.gz MZDRRYOQHOLTIV-IRXDYDNUSA-N 1 1 313.397 3.099 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840956150 630385204 /nfs/dbraw/zinc/38/52/04/630385204.db2.gz HJOQFQOCQJZHDN-HOTGVXAUSA-N 1 1 303.789 3.354 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840956149 630385439 /nfs/dbraw/zinc/38/54/39/630385439.db2.gz HJOQFQOCQJZHDN-CVEARBPZSA-N 1 1 303.789 3.354 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)cc1 ZINC000840975693 630390099 /nfs/dbraw/zinc/39/00/99/630390099.db2.gz KEKKNXHXCHKQPJ-QGZVFWFLSA-N 1 1 317.477 3.022 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(Cl)cc2)cc1 ZINC000841041443 630400773 /nfs/dbraw/zinc/40/07/73/630400773.db2.gz CGDVKHRNEWEMKN-QGZVFWFLSA-N 1 1 303.837 3.196 20 10 DGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000841045732 630401851 /nfs/dbraw/zinc/40/18/51/630401851.db2.gz OZKRINLRUXVLSN-QGZVFWFLSA-N 1 1 321.827 3.335 20 10 DGCDMO CN(C)c1ccc(CN[C@@H]2CCC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000841058752 630402949 /nfs/dbraw/zinc/40/29/49/630402949.db2.gz UAJUBADHVMBKNZ-CYBMUJFWSA-N 1 1 315.383 3.003 20 10 DGCDMO CCCN(CCC)c1ccc(CN[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000841064655 630403668 /nfs/dbraw/zinc/40/36/68/630403668.db2.gz RZOQSUQLHPACPZ-VQIMIIECSA-N 1 1 303.494 3.401 20 10 DGCDMO C[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CC[NH2+]1 ZINC000841064094 630403677 /nfs/dbraw/zinc/40/36/77/630403677.db2.gz XWHDGOOFQMVIOA-DGCLKSJQSA-N 1 1 315.383 3.002 20 10 DGCDMO C[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CC[NH2+]1 ZINC000841064096 630403814 /nfs/dbraw/zinc/40/38/14/630403814.db2.gz XWHDGOOFQMVIOA-YPMHNXCESA-N 1 1 315.383 3.002 20 10 DGCDMO CN(C)c1ccc(/C=C/CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000841087459 630405871 /nfs/dbraw/zinc/40/58/71/630405871.db2.gz NWNXDBPYONRKDA-YHTLKTDXSA-N 1 1 313.489 3.230 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841087480 630406116 /nfs/dbraw/zinc/40/61/16/630406116.db2.gz OGGTZBSZPCRDKU-NHYWBVRUSA-N 1 1 312.816 3.149 20 10 DGCDMO Oc1c(F)cc(Cl)cc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000841101179 630407916 /nfs/dbraw/zinc/40/79/16/630407916.db2.gz RATZCOYAEMSDPQ-MRXNPFEDSA-N 1 1 320.795 3.331 20 10 DGCDMO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(Cl)cc1O ZINC000841746156 630461794 /nfs/dbraw/zinc/46/17/94/630461794.db2.gz VTFCMXUZBUEGBE-LLVKDONJSA-N 1 1 322.836 3.097 20 10 DGCDMO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000841897078 630474938 /nfs/dbraw/zinc/47/49/38/630474938.db2.gz TYMGXWPBQKZPNP-MRXNPFEDSA-N 1 1 316.376 3.278 20 10 DGCDMO CO[C@@H](CC(C)C)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000842149178 630498759 /nfs/dbraw/zinc/49/87/59/630498759.db2.gz YDENECILUBGHHU-IBGZPJMESA-N 1 1 320.477 3.016 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1O ZINC000842612569 630553431 /nfs/dbraw/zinc/55/34/31/630553431.db2.gz JVFAPCDLSDNEMI-GDBMZVCRSA-N 1 1 305.418 3.100 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+](C)C[C@]2(O)CCc3ccccc32)c1 ZINC000842627314 630554718 /nfs/dbraw/zinc/55/47/18/630554718.db2.gz ZGQWZEZMZUFYGB-HXUWFJFHSA-N 1 1 311.425 3.275 20 10 DGCDMO COc1cc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c(O)cc1C ZINC000842637793 630556788 /nfs/dbraw/zinc/55/67/88/630556788.db2.gz FOBDUEVNSHFGAD-CQSZACIVSA-N 1 1 305.418 3.100 20 10 DGCDMO C[C@H]1CC2(C[N@H+]1Cc1c(O)ccc3ccncc31)CCOCC2 ZINC000842638211 630557022 /nfs/dbraw/zinc/55/70/22/630557022.db2.gz XNFYKXBTNUNBPL-AWEZNQCLSA-N 1 1 312.413 3.331 20 10 DGCDMO CCC[N@H+](Cc1ccc(N(CC)CC)cc1)C1CCNCC1 ZINC000843045420 630608144 /nfs/dbraw/zinc/60/81/44/630608144.db2.gz XMLUWZCIKMRVRC-UHFFFAOYSA-N 1 1 303.494 3.497 20 10 DGCDMO CCC[N@@H+](Cc1ccc(N(CC)CC)cc1)C1CCNCC1 ZINC000843045420 630608147 /nfs/dbraw/zinc/60/81/47/630608147.db2.gz XMLUWZCIKMRVRC-UHFFFAOYSA-N 1 1 303.494 3.497 20 10 DGCDMO [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126046 630616264 /nfs/dbraw/zinc/61/62/64/630616264.db2.gz FFULDVJIRJXCNT-UONOGXRCSA-N 1 1 308.853 3.257 20 10 DGCDMO [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126046 630616267 /nfs/dbraw/zinc/61/62/67/630616267.db2.gz FFULDVJIRJXCNT-UONOGXRCSA-N 1 1 308.853 3.257 20 10 DGCDMO [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126111 630616519 /nfs/dbraw/zinc/61/65/19/630616519.db2.gz GOBXQBFZQUKBRU-ZIAGYGMSSA-N 1 1 308.853 3.257 20 10 DGCDMO [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126111 630616521 /nfs/dbraw/zinc/61/65/21/630616521.db2.gz GOBXQBFZQUKBRU-ZIAGYGMSSA-N 1 1 308.853 3.257 20 10 DGCDMO Cc1ccc(-c2nn(C)cc2C[N@@H+](C)Cc2ccccc2O)o1 ZINC000843394611 630652135 /nfs/dbraw/zinc/65/21/35/630652135.db2.gz SMBURUFJEBWFRT-UHFFFAOYSA-N 1 1 311.385 3.326 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000843417148 630654282 /nfs/dbraw/zinc/65/42/82/630654282.db2.gz PWXLXBHBKWIXPH-PBHICJAKSA-N 1 1 305.418 3.182 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000843420288 630655457 /nfs/dbraw/zinc/65/54/57/630655457.db2.gz BAAVHWHOWMEBMO-HNNXBMFYSA-N 1 1 313.850 3.062 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000843420288 630655460 /nfs/dbraw/zinc/65/54/60/630655460.db2.gz BAAVHWHOWMEBMO-HNNXBMFYSA-N 1 1 313.850 3.062 20 10 DGCDMO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@@H]1CCC(=O)N1 ZINC000844312063 630717986 /nfs/dbraw/zinc/71/79/86/630717986.db2.gz CDVJBKZDACZTJG-QAPCUYQASA-N 1 1 324.424 3.234 20 10 DGCDMO COc1ccc(N(C)CC[N@H+](C)Cc2nc3ccccc3[nH]2)cc1 ZINC000844400301 630724626 /nfs/dbraw/zinc/72/46/26/630724626.db2.gz ZSWPNEVTKAYMLN-UHFFFAOYSA-N 1 1 324.428 3.140 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2nc3ccccc3[nH]2)cc1 ZINC000844400301 630724628 /nfs/dbraw/zinc/72/46/28/630724628.db2.gz ZSWPNEVTKAYMLN-UHFFFAOYSA-N 1 1 324.428 3.140 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)[C@@H](CC)CO1 ZINC000844724980 630807984 /nfs/dbraw/zinc/80/79/84/630807984.db2.gz GFUOBCNYTUXLTL-GJZGRUSLSA-N 1 1 300.402 3.330 20 10 DGCDMO Cc1cc(O)c(CNCc2ccc(C[NH3+])cc2F)c(Cl)c1 ZINC000844908457 630975515 /nfs/dbraw/zinc/97/55/15/630975515.db2.gz UWLUZNYLDADXNR-UHFFFAOYSA-N 1 1 308.784 3.242 20 10 DGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccc(C[NH3+])cc2F)c(Cl)c1 ZINC000844908457 630975521 /nfs/dbraw/zinc/97/55/21/630975521.db2.gz UWLUZNYLDADXNR-UHFFFAOYSA-N 1 1 308.784 3.242 20 10 DGCDMO Cc1cccc(C[N@@H+](CC(=O)OC(C)(C)C)CC2CC2)c1O ZINC000846052927 631208243 /nfs/dbraw/zinc/20/82/43/631208243.db2.gz KQDPYBNUICBPNG-UHFFFAOYSA-N 1 1 305.418 3.254 20 10 DGCDMO Cc1cccc(C[N@H+](CC(=O)OC(C)(C)C)CC2CC2)c1O ZINC000846052927 631208245 /nfs/dbraw/zinc/20/82/45/631208245.db2.gz KQDPYBNUICBPNG-UHFFFAOYSA-N 1 1 305.418 3.254 20 10 DGCDMO C[C@@H](CO)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000846059081 631208935 /nfs/dbraw/zinc/20/89/35/631208935.db2.gz XSTCULYFQCPRIU-JTQLQIEISA-N 1 1 301.789 3.025 20 10 DGCDMO C[C@@H](COCC1CC1)[NH2+]Cc1cccc(Br)c1O ZINC000846074001 631209229 /nfs/dbraw/zinc/20/92/29/631209229.db2.gz VDGZCHPGEVKKIH-JTQLQIEISA-N 1 1 314.223 3.059 20 10 DGCDMO CCOc1cccc(C[N@H+](C)[C@@H](CC)C(=O)OC(C)(C)C)c1O ZINC000846118862 631210821 /nfs/dbraw/zinc/21/08/21/631210821.db2.gz SJIMMAALKDZJBG-AWEZNQCLSA-N 1 1 323.433 3.343 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)[C@@H](CC)C(=O)OC(C)(C)C)c1O ZINC000846118862 631210823 /nfs/dbraw/zinc/21/08/23/631210823.db2.gz SJIMMAALKDZJBG-AWEZNQCLSA-N 1 1 323.433 3.343 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1O ZINC000846118554 631210861 /nfs/dbraw/zinc/21/08/61/631210861.db2.gz XLSBZXUQNIQZGF-CYBMUJFWSA-N 1 1 303.736 3.285 20 10 DGCDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846475663 631250840 /nfs/dbraw/zinc/25/08/40/631250840.db2.gz DYMGSVSWLXKKJC-LLVKDONJSA-N 1 1 321.808 3.072 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccc(F)cc1O ZINC000848558122 631691700 /nfs/dbraw/zinc/69/17/00/631691700.db2.gz JUODOSFDTFWGBD-BZNIZROVSA-N 1 1 314.360 3.135 20 10 DGCDMO C[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)OC(C)(C)C ZINC000848566277 631695897 /nfs/dbraw/zinc/69/58/97/631695897.db2.gz UCMIFUKBCAYPAZ-SECBINFHSA-N 1 1 317.788 3.252 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000848575019 631700210 /nfs/dbraw/zinc/70/02/10/631700210.db2.gz KSJJAOSNYFUUAW-ZIAGYGMSSA-N 1 1 312.816 3.291 20 10 DGCDMO CCc1cccc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)c1O ZINC000848887287 631771941 /nfs/dbraw/zinc/77/19/41/631771941.db2.gz SDCKGPYKGMNCLT-UHFFFAOYSA-N 1 1 324.384 3.032 20 10 DGCDMO CCc1cccc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)c1O ZINC000848887287 631771946 /nfs/dbraw/zinc/77/19/46/631771946.db2.gz SDCKGPYKGMNCLT-UHFFFAOYSA-N 1 1 324.384 3.032 20 10 DGCDMO CCc1cccc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)c1O ZINC000848902076 631780127 /nfs/dbraw/zinc/78/01/27/631780127.db2.gz JPNQAMZADXQKSB-AWEZNQCLSA-N 1 1 305.324 3.456 20 10 DGCDMO [O-]c1cccc(Cl)c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000849350844 631901295 /nfs/dbraw/zinc/90/12/95/631901295.db2.gz YQRTXLQFKPYZDK-CQSZACIVSA-N 1 1 308.853 3.257 20 10 DGCDMO CCOCc1cc(CN[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1OC ZINC000850350988 632121615 /nfs/dbraw/zinc/12/16/15/632121615.db2.gz JOOSHVGNPCJIBP-KRWDZBQOSA-N 1 1 320.477 3.194 20 10 DGCDMO CCOCc1cc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)ccc1OC ZINC000850350988 632121618 /nfs/dbraw/zinc/12/16/18/632121618.db2.gz JOOSHVGNPCJIBP-KRWDZBQOSA-N 1 1 320.477 3.194 20 10 DGCDMO COC(=O)N(C)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000850548352 632189194 /nfs/dbraw/zinc/18/91/94/632189194.db2.gz OZWCCOYJAZHNAP-QMMMGPOBSA-N 1 1 321.204 3.048 20 10 DGCDMO CC[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc(F)cc1O ZINC000850573453 632198243 /nfs/dbraw/zinc/19/82/43/632198243.db2.gz MBFXGLVOPNMGTQ-HNNXBMFYSA-N 1 1 322.424 3.398 20 10 DGCDMO CO[C@H](C[N@@H+](Cc1ccccc1O)C1CCCC1)[C@H]1CCOC1 ZINC000851771898 632488847 /nfs/dbraw/zinc/48/88/47/632488847.db2.gz RDGHRRDRPPCDLB-QFBILLFUSA-N 1 1 319.445 3.188 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](OC)[C@H]1CCOC1 ZINC000852017971 632540553 /nfs/dbraw/zinc/54/05/53/632540553.db2.gz IGAGRPNJRWPKLW-FUHWJXTLSA-N 1 1 307.434 3.046 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC2=CCCOC2)c1O ZINC000852518914 632616401 /nfs/dbraw/zinc/61/64/01/632616401.db2.gz RMCLAIKIDPUKDA-UHFFFAOYSA-N 1 1 309.793 3.027 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)c1 ZINC000185471921 660224702 /nfs/dbraw/zinc/22/47/02/660224702.db2.gz KFZVRNIXLPBTBC-SUMWQHHRSA-N 1 1 308.466 3.418 20 10 DGCDMO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000186776227 660574272 /nfs/dbraw/zinc/57/42/72/660574272.db2.gz LWBSPINMLFKSGD-NEPJUHHUSA-N 1 1 324.396 3.049 20 10 DGCDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCC[NH+](C)C1 ZINC000705207667 660837033 /nfs/dbraw/zinc/83/70/33/660837033.db2.gz RWZVSFVYCLDQNK-NSHDSACASA-N 1 1 317.260 3.473 20 10 DGCDMO C[NH+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000705207667 660837036 /nfs/dbraw/zinc/83/70/36/660837036.db2.gz RWZVSFVYCLDQNK-NSHDSACASA-N 1 1 317.260 3.473 20 10 DGCDMO C[NH+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000705207667 660837039 /nfs/dbraw/zinc/83/70/39/660837039.db2.gz RWZVSFVYCLDQNK-NSHDSACASA-N 1 1 317.260 3.473 20 10 DGCDMO COC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707147013 660893525 /nfs/dbraw/zinc/89/35/25/660893525.db2.gz RUYURMBDRVLICL-LLVKDONJSA-N 1 1 314.223 3.013 20 10 DGCDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792795307 660985099 /nfs/dbraw/zinc/98/50/99/660985099.db2.gz RVGMWWIBOYTTQQ-CQSZACIVSA-N 1 1 316.367 3.382 20 10 DGCDMO Cc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1O ZINC000793239173 661016404 /nfs/dbraw/zinc/01/64/04/661016404.db2.gz DDFITOOVZJNTST-BGYRXZFFSA-N 1 1 322.452 3.264 20 10 DGCDMO Cc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1O ZINC000793239173 661016407 /nfs/dbraw/zinc/01/64/07/661016407.db2.gz DDFITOOVZJNTST-BGYRXZFFSA-N 1 1 322.452 3.264 20 10 DGCDMO Cc1cccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1O ZINC000793239173 661016410 /nfs/dbraw/zinc/01/64/10/661016410.db2.gz DDFITOOVZJNTST-BGYRXZFFSA-N 1 1 322.452 3.264 20 10 DGCDMO Cc1cccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1O ZINC000793239173 661016411 /nfs/dbraw/zinc/01/64/11/661016411.db2.gz DDFITOOVZJNTST-BGYRXZFFSA-N 1 1 322.452 3.264 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+](CC3CC3)C3CCC3)cc2)CC1 ZINC000793393561 661029631 /nfs/dbraw/zinc/02/96/31/661029631.db2.gz HVEPSDRLKIPJOB-UHFFFAOYSA-N 1 1 313.489 3.203 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+](CC3CC3)C3CCC3)cc2)CC1 ZINC000793393561 661029634 /nfs/dbraw/zinc/02/96/34/661029634.db2.gz HVEPSDRLKIPJOB-UHFFFAOYSA-N 1 1 313.489 3.203 20 10 DGCDMO C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1cc(F)cc(F)c1O ZINC000793567503 661046642 /nfs/dbraw/zinc/04/66/42/661046642.db2.gz YPFWNJXJBYGZPJ-JTQLQIEISA-N 1 1 307.344 3.054 20 10 DGCDMO CC[C@H]([NH2+]Cc1n[nH]cc1Br)c1ccc(C)cc1O ZINC000794800349 661105603 /nfs/dbraw/zinc/10/56/03/661105603.db2.gz CVHWMSMZKMPGJA-LBPRGKRZSA-N 1 1 324.222 3.427 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](C[C@@H](O)CCC(C)C)CC2)cc1 ZINC000795523199 661156623 /nfs/dbraw/zinc/15/66/23/661156623.db2.gz BMJDBKCYYWUOHN-SFHVURJKSA-N 1 1 320.477 3.004 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)cc1OC ZINC000160325899 655608155 /nfs/dbraw/zinc/60/81/55/655608155.db2.gz QKRDIAWZZUZURB-WMZOPIPTSA-N 1 1 323.433 3.045 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)cc1OC ZINC000160325710 655608238 /nfs/dbraw/zinc/60/82/38/655608238.db2.gz QKRDIAWZZUZURB-FUHWJXTLSA-N 1 1 323.433 3.045 20 10 DGCDMO C[N@@H+](CCc1nccs1)Cc1cc2c(cc1O)CCCC2 ZINC000160481434 655644055 /nfs/dbraw/zinc/64/40/55/655644055.db2.gz HIEXCAIDWQWGCN-UHFFFAOYSA-N 1 1 302.443 3.402 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)CCCc2ccccc2)cc1OC ZINC000179438600 655892755 /nfs/dbraw/zinc/89/27/55/655892755.db2.gz VNIKOUFIQHOHEW-UHFFFAOYSA-N 1 1 315.413 3.474 20 10 DGCDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1Cc1ccccc1O ZINC000179578924 655909100 /nfs/dbraw/zinc/90/91/00/655909100.db2.gz JLEZCIKBEFEHNU-QGZVFWFLSA-N 1 1 310.441 3.489 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccccc1O ZINC000179578924 655909101 /nfs/dbraw/zinc/90/91/01/655909101.db2.gz JLEZCIKBEFEHNU-QGZVFWFLSA-N 1 1 310.441 3.489 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccccc1O ZINC000179578924 655909102 /nfs/dbraw/zinc/90/91/02/655909102.db2.gz JLEZCIKBEFEHNU-QGZVFWFLSA-N 1 1 310.441 3.489 20 10 DGCDMO COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177284963 655919906 /nfs/dbraw/zinc/91/99/06/655919906.db2.gz JYVSDZRJAIAITL-GFCCVEGCSA-N 1 1 311.809 3.107 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1ccc(F)cc1O ZINC000716177302 661219681 /nfs/dbraw/zinc/21/96/81/661219681.db2.gz MYURXIFNKRWCPQ-YOEHRIQHSA-N 1 1 314.404 3.456 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1O ZINC000180530224 656093614 /nfs/dbraw/zinc/09/36/14/656093614.db2.gz YVWYNIIELOOGCI-HNNXBMFYSA-N 1 1 320.433 3.190 20 10 DGCDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cccc(Br)c1O ZINC000093501012 656356466 /nfs/dbraw/zinc/35/64/66/656356466.db2.gz MBRMPMYUBIWGCC-ZJUUUORDSA-N 1 1 316.264 3.481 20 10 DGCDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cccc(Br)c1O ZINC000093501012 656356468 /nfs/dbraw/zinc/35/64/68/656356468.db2.gz MBRMPMYUBIWGCC-ZJUUUORDSA-N 1 1 316.264 3.481 20 10 DGCDMO COc1cccc(CNC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1O ZINC000237210292 657382024 /nfs/dbraw/zinc/38/20/24/657382024.db2.gz SAKNMWJWPDWXBE-RDTXWAMCSA-N 1 1 306.450 3.001 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000302992386 657506218 /nfs/dbraw/zinc/50/62/18/657506218.db2.gz FGSXZEIUWKYGCG-PBHICJAKSA-N 1 1 314.404 3.456 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000320570289 657601038 /nfs/dbraw/zinc/60/10/38/657601038.db2.gz QCPPYHQSWBHYGE-ZJUUUORDSA-N 1 1 315.348 3.113 20 10 DGCDMO COc1cc(C[N@H+]2CCOC(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC000164010393 658912407 /nfs/dbraw/zinc/91/24/07/658912407.db2.gz VJKYUINENXMODH-UHFFFAOYSA-N 1 1 307.434 3.309 20 10 DGCDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164231848 658923046 /nfs/dbraw/zinc/92/30/46/658923046.db2.gz KPJBCVNIGDSAFI-INIZCTEOSA-N 1 1 318.461 3.137 20 10 DGCDMO CCc1nn(C)c(CC)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000156472273 658923861 /nfs/dbraw/zinc/92/38/61/658923861.db2.gz SXCZBSKIFRUQQB-UHFFFAOYSA-N 1 1 314.477 3.243 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000164461096 658935580 /nfs/dbraw/zinc/93/55/80/658935580.db2.gz LRBOCKOYFBKFDB-QFIPXVFZSA-N 1 1 317.454 3.378 20 10 DGCDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000165119020 658967288 /nfs/dbraw/zinc/96/72/88/658967288.db2.gz ZXQOSRWRJLIZIW-MRXNPFEDSA-N 1 1 318.461 3.124 20 10 DGCDMO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000171926193 659305696 /nfs/dbraw/zinc/30/56/96/659305696.db2.gz GUYSLARIUYKLMR-UHFFFAOYSA-N 1 1 316.426 3.185 20 10 DGCDMO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000171926193 659305700 /nfs/dbraw/zinc/30/57/00/659305700.db2.gz GUYSLARIUYKLMR-UHFFFAOYSA-N 1 1 316.426 3.185 20 10 DGCDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1)c1ccccc1 ZINC000179566913 659933892 /nfs/dbraw/zinc/93/38/92/659933892.db2.gz MDIWJHYUMHKNBN-INIZCTEOSA-N 1 1 324.424 3.034 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)CCCOc2ccccc2)c1 ZINC000179761395 659940549 /nfs/dbraw/zinc/94/05/49/659940549.db2.gz RAQFVMCEDFXHMK-UHFFFAOYSA-N 1 1 301.386 3.302 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)COc1ccccc1 ZINC000068973690 659970981 /nfs/dbraw/zinc/97/09/81/659970981.db2.gz BGKYKXYVSIHNFQ-QGZVFWFLSA-N 1 1 315.413 3.044 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000158005917 661869740 /nfs/dbraw/zinc/86/97/40/661869740.db2.gz OBEOGCUBYCVCNB-VQIMIIECSA-N 1 1 314.473 3.458 20 10 DGCDMO Cc1cc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000158005917 661869742 /nfs/dbraw/zinc/86/97/42/661869742.db2.gz OBEOGCUBYCVCNB-VQIMIIECSA-N 1 1 314.473 3.458 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1C ZINC000158005917 661869749 /nfs/dbraw/zinc/86/97/49/661869749.db2.gz OBEOGCUBYCVCNB-VQIMIIECSA-N 1 1 314.473 3.458 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1C ZINC000158005917 661869754 /nfs/dbraw/zinc/86/97/54/661869754.db2.gz OBEOGCUBYCVCNB-VQIMIIECSA-N 1 1 314.473 3.458 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@]2(CO)CC(C)C)c1O ZINC000188038484 661912115 /nfs/dbraw/zinc/91/21/15/661912115.db2.gz RTRVCERRJMTZTR-GOSISDBHSA-N 1 1 307.434 3.164 20 10 DGCDMO C[N@H+](Cc1ccn(-c2ccccc2F)n1)Cc1ccccc1O ZINC000189187794 661967997 /nfs/dbraw/zinc/96/79/97/661967997.db2.gz HEQLRAYWVYXCNL-UHFFFAOYSA-N 1 1 311.360 3.349 20 10 DGCDMO C[N@@H+](Cc1ccn(-c2ccccc2F)n1)Cc1ccccc1O ZINC000189187794 661967999 /nfs/dbraw/zinc/96/79/99/661967999.db2.gz HEQLRAYWVYXCNL-UHFFFAOYSA-N 1 1 311.360 3.349 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cn1 ZINC000191149989 662055412 /nfs/dbraw/zinc/05/54/12/662055412.db2.gz AVZBQCWVBHFWRX-UHFFFAOYSA-N 1 1 312.461 3.236 20 10 DGCDMO C[N@@H+](Cc1cc2ccccc2o1)Cc1cc2c(cc1O)OCO2 ZINC000083114030 662193771 /nfs/dbraw/zinc/19/37/71/662193771.db2.gz BIXNTGVJYULEMJ-UHFFFAOYSA-N 1 1 311.337 3.499 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)CCOCc2ccccc2)c1 ZINC000091937098 662325093 /nfs/dbraw/zinc/32/50/93/662325093.db2.gz ONAWSTJHIXIKEG-UHFFFAOYSA-N 1 1 315.413 3.440 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c1 ZINC000092219114 662328693 /nfs/dbraw/zinc/32/86/93/662328693.db2.gz QEQSRXRCSYJQGF-QGZVFWFLSA-N 1 1 318.461 3.241 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2CN2CCCCC2)c1 ZINC000092219114 662328696 /nfs/dbraw/zinc/32/86/96/662328696.db2.gz QEQSRXRCSYJQGF-QGZVFWFLSA-N 1 1 318.461 3.241 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000093012688 662342955 /nfs/dbraw/zinc/34/29/55/662342955.db2.gz HPUMZWALSHBPJD-UHFFFAOYSA-N 1 1 320.339 3.049 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000093012688 662342958 /nfs/dbraw/zinc/34/29/58/662342958.db2.gz HPUMZWALSHBPJD-UHFFFAOYSA-N 1 1 320.339 3.049 20 10 DGCDMO OCCCC[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000093383027 662353541 /nfs/dbraw/zinc/35/35/41/662353541.db2.gz JNJRUACXVNVXGJ-UHFFFAOYSA-N 1 1 302.462 3.414 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)cc1F ZINC000093820231 662360517 /nfs/dbraw/zinc/36/05/17/662360517.db2.gz DDMWTPOTXPIJDX-SFHVURJKSA-N 1 1 306.425 3.284 20 10 DGCDMO COC1(C[NH2+]Cc2cccc(Br)c2O)CCCC1 ZINC000386861044 685181016 /nfs/dbraw/zinc/18/10/16/685181016.db2.gz UQQXPNVHNSUUQU-UHFFFAOYSA-N 1 1 314.223 3.204 20 10 DGCDMO C[C@H]1[C@@H](NC(=O)Nc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000393845031 685219162 /nfs/dbraw/zinc/21/91/62/685219162.db2.gz CLTXCVYNUUYLAO-KSSFIOAISA-N 1 1 324.428 3.053 20 10 DGCDMO Cc1cc(O)c(C[NH2+][C@H]2CC[C@H](c3c[nH]nn3)CC2)cc1Cl ZINC001577349006 1191895143 /nfs/dbraw/zinc/89/51/43/1191895143.db2.gz XGBGAEJGMKPFIF-AULYBMBSSA-N 1 1 320.824 3.288 20 10 DGCDMO Nc1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001580451817 1192027814 /nfs/dbraw/zinc/02/78/14/1192027814.db2.gz DTKIAQMGEXWFIZ-UHFFFAOYSA-N 1 1 304.777 3.022 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCc1cc2ccccc2[nH]1 ZINC001620867251 1192490810 /nfs/dbraw/zinc/49/08/10/1192490810.db2.gz APJUPZUINFBXNB-UHFFFAOYSA-N 1 1 302.324 3.484 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC001331961680 1178320800 /nfs/dbraw/zinc/32/08/00/1178320800.db2.gz ZFEUFWIYBXBCFQ-IEBWSBKVSA-N 1 1 300.446 3.288 20 10 DGCDMO CCOc1ccc2c(c1)C[N@H+](Cc1c(O)cccc1OC)CC2 ZINC001341555204 1179027700 /nfs/dbraw/zinc/02/77/00/1179027700.db2.gz ZSUZOTVYHDUIAQ-UHFFFAOYSA-N 1 1 313.397 3.358 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCCC[C@H]1O ZINC001341944716 1179082737 /nfs/dbraw/zinc/08/27/37/1179082737.db2.gz KPYFMDXQPHOADB-IEBWSBKVSA-N 1 1 302.462 3.270 20 10 DGCDMO CO[C@H]1CC[C@H]([NH2+]Cc2cc(C)cc(Br)c2O)C1 ZINC001343464730 1179280748 /nfs/dbraw/zinc/28/07/48/1179280748.db2.gz QFOALMBNSKIEIM-RYUDHWBXSA-N 1 1 314.223 3.120 20 10 DGCDMO C[C@H](CO)[N@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1O ZINC001350309585 1180049843 /nfs/dbraw/zinc/04/98/43/1180049843.db2.gz JXBGFLSHYQLRDH-GFCCVEGCSA-N 1 1 307.340 3.053 20 10 DGCDMO C[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1O ZINC001350309585 1180049846 /nfs/dbraw/zinc/04/98/46/1180049846.db2.gz JXBGFLSHYQLRDH-GFCCVEGCSA-N 1 1 307.340 3.053 20 10 DGCDMO Cc1cc(C[N@@H+](C)Cc2ccn(C)n2)ccc1N1CCCCC1 ZINC001460935073 1182742330 /nfs/dbraw/zinc/74/23/30/1182742330.db2.gz LUERHBBMCZHWQB-UHFFFAOYSA-N 1 1 312.461 3.351 20 10 DGCDMO Cc1cc(C[N@H+](C)Cc2ccn(C)n2)ccc1N1CCCCC1 ZINC001460935073 1182742334 /nfs/dbraw/zinc/74/23/34/1182742334.db2.gz LUERHBBMCZHWQB-UHFFFAOYSA-N 1 1 312.461 3.351 20 10 DGCDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC001461020488 1182757795 /nfs/dbraw/zinc/75/77/95/1182757795.db2.gz BUMDKWPNLBSOMK-SNVBAGLBSA-N 1 1 320.339 3.480 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CCCCO2)c1 ZINC001461130623 1182771365 /nfs/dbraw/zinc/77/13/65/1182771365.db2.gz ZPCVKXVJNLHIAB-GFCCVEGCSA-N 1 1 314.223 3.122 20 10 DGCDMO CC(C)C(C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(C)C ZINC001461435031 1182814658 /nfs/dbraw/zinc/81/46/58/1182814658.db2.gz OAPVDDCGILYVBE-UHFFFAOYSA-N 1 1 317.521 3.456 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001461914811 1182874080 /nfs/dbraw/zinc/87/40/80/1182874080.db2.gz QZBRAJRNYQLJBG-INIZCTEOSA-N 1 1 318.461 3.225 20 10 DGCDMO CC(C)[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C1(CO)CCCC1 ZINC001462317733 1182938588 /nfs/dbraw/zinc/93/85/88/1182938588.db2.gz XJKHXFMLSBPFDG-MRXNPFEDSA-N 1 1 313.388 3.337 20 10 DGCDMO C[C@@H]1CN(Cc2cc(F)ccc2O)CC[N@H+]1Cc1ccccc1 ZINC001462337674 1182941733 /nfs/dbraw/zinc/94/17/33/1182941733.db2.gz FKMLDASNAANUEY-OAHLLOKOSA-N 1 1 314.404 3.238 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCN1Cc1ccccc1 ZINC001462337674 1182941737 /nfs/dbraw/zinc/94/17/37/1182941737.db2.gz FKMLDASNAANUEY-OAHLLOKOSA-N 1 1 314.404 3.238 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCN1Cc1ccccc1 ZINC001462337674 1182941740 /nfs/dbraw/zinc/94/17/40/1182941740.db2.gz FKMLDASNAANUEY-OAHLLOKOSA-N 1 1 314.404 3.238 20 10 DGCDMO COCCN1[C@H](C)C[N@H+](Cc2cc(C(C)C)ccc2O)C[C@@H]1C ZINC001462385439 1182945614 /nfs/dbraw/zinc/94/56/14/1182945614.db2.gz ZDPAMHWWTIEYDN-IYBDPMFKSA-N 1 1 320.477 3.057 20 10 DGCDMO COCC[N@H+]1[C@H](C)CN(Cc2cc(C(C)C)ccc2O)C[C@@H]1C ZINC001462385439 1182945617 /nfs/dbraw/zinc/94/56/17/1182945617.db2.gz ZDPAMHWWTIEYDN-IYBDPMFKSA-N 1 1 320.477 3.057 20 10 DGCDMO COCC[N@@H+]1[C@H](C)CN(Cc2cc(C(C)C)ccc2O)C[C@@H]1C ZINC001462385439 1182945618 /nfs/dbraw/zinc/94/56/18/1182945618.db2.gz ZDPAMHWWTIEYDN-IYBDPMFKSA-N 1 1 320.477 3.057 20 10 DGCDMO Cc1ccc(C[N@@H+]2CC[C@@H](N(C)CCc3ccccc3)C2)c(O)c1 ZINC001462410296 1182949559 /nfs/dbraw/zinc/94/95/59/1182949559.db2.gz CFRUKPJHTXJEPS-HXUWFJFHSA-N 1 1 324.468 3.449 20 10 DGCDMO Cc1ccc(CN2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c(O)c1 ZINC001462410296 1182949562 /nfs/dbraw/zinc/94/95/62/1182949562.db2.gz CFRUKPJHTXJEPS-HXUWFJFHSA-N 1 1 324.468 3.449 20 10 DGCDMO Cc1ccc(CN2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c(O)c1 ZINC001462410296 1182949568 /nfs/dbraw/zinc/94/95/68/1182949568.db2.gz CFRUKPJHTXJEPS-HXUWFJFHSA-N 1 1 324.468 3.449 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC001462470520 1182957628 /nfs/dbraw/zinc/95/76/28/1182957628.db2.gz KDHUUERKMUOROP-BGYRXZFFSA-N 1 1 314.473 3.454 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC001473800511 1183804216 /nfs/dbraw/zinc/80/42/16/1183804216.db2.gz MEEGUPVNXBACDK-CYBMUJFWSA-N 1 1 304.381 3.232 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC001473800511 1183804227 /nfs/dbraw/zinc/80/42/27/1183804227.db2.gz MEEGUPVNXBACDK-CYBMUJFWSA-N 1 1 304.381 3.232 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2C[C@]2(C)Br)cc1 ZINC001474307436 1183902619 /nfs/dbraw/zinc/90/26/19/1183902619.db2.gz LXNVTJNSUGXOEJ-ZFWWWQNUSA-N 1 1 311.267 3.358 20 10 DGCDMO CCCCC[N@@H+](CCO)Cc1ccc(Br)cc1O ZINC001474414055 1183917598 /nfs/dbraw/zinc/91/75/98/1183917598.db2.gz LERRVCRIBZFVFZ-UHFFFAOYSA-N 1 1 316.239 3.139 20 10 DGCDMO CC[C@H](C)[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC(=O)OC ZINC001474482316 1183929210 /nfs/dbraw/zinc/92/92/10/1183929210.db2.gz XHARXIAQCBAEAL-LZNQSLFOSA-N 1 1 304.434 3.039 20 10 DGCDMO CC[C@H](C)[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CC(=O)OC ZINC001474482316 1183929214 /nfs/dbraw/zinc/92/92/14/1183929214.db2.gz XHARXIAQCBAEAL-LZNQSLFOSA-N 1 1 304.434 3.039 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@H](C(C)C)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001474521472 1183934947 /nfs/dbraw/zinc/93/49/47/1183934947.db2.gz MJBWEGSUOYQMRD-UKRRQHHQSA-N 1 1 322.405 3.421 20 10 DGCDMO COc1c(O)c(C[N@H+]2C[C@H](C(C)C)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001474521472 1183934950 /nfs/dbraw/zinc/93/49/50/1183934950.db2.gz MJBWEGSUOYQMRD-UKRRQHHQSA-N 1 1 322.405 3.421 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c(O)c1 ZINC001474582370 1183944810 /nfs/dbraw/zinc/94/48/10/1183944810.db2.gz IOJAPAIWXQXMER-SFHVURJKSA-N 1 1 319.445 3.346 20 10 DGCDMO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001474648911 1183956137 /nfs/dbraw/zinc/95/61/37/1183956137.db2.gz SZIVSDKLEKGQEL-UHFFFAOYSA-N 1 1 319.836 3.364 20 10 DGCDMO CC(C)[N@@H+](CC(=O)NCC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC001559492124 1189209943 /nfs/dbraw/zinc/20/99/43/1189209943.db2.gz FTHOOAWGTYNIDU-UHFFFAOYSA-N 1 1 319.493 3.125 20 10 DGCDMO C[C@H](CNCc1ccc(N(C)C)c(F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC001560265711 1189302061 /nfs/dbraw/zinc/30/20/61/1189302061.db2.gz BDNWLVFDYKMIML-LSDHHAIUSA-N 1 1 307.457 3.102 20 10 DGCDMO C[C@H](CNCc1ccc(N(C)C)c(F)c1)[N@H+]1CCC[C@H](C)C1 ZINC001560265711 1189302066 /nfs/dbraw/zinc/30/20/66/1189302066.db2.gz BDNWLVFDYKMIML-LSDHHAIUSA-N 1 1 307.457 3.102 20 10 DGCDMO COc1cc(CC[NH2+]Cc2cc(F)cc(F)c2O)ccc1C ZINC001560346664 1189315196 /nfs/dbraw/zinc/31/51/96/1189315196.db2.gz HDBAMYANOSVNQD-UHFFFAOYSA-N 1 1 307.340 3.320 20 10 DGCDMO CCOCc1cc(CN[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1OC ZINC001560358634 1189318140 /nfs/dbraw/zinc/31/81/40/1189318140.db2.gz QWGAGNAZUNBMCN-ZWKOTPCHSA-N 1 1 320.477 3.194 20 10 DGCDMO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001560462307 1189331523 /nfs/dbraw/zinc/33/15/23/1189331523.db2.gz HRTFXFKVAIJSME-AWEZNQCLSA-N 1 1 314.832 3.395 20 10 DGCDMO Cc1ccc(C[N@@H+]2CC[C@H](N(C)Cc3ccccc3)C2)c(O)c1 ZINC001560633139 1189352529 /nfs/dbraw/zinc/35/25/29/1189352529.db2.gz KBNIQYLKHKXHMC-IBGZPJMESA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1ccc(CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c(O)c1 ZINC001560633139 1189352534 /nfs/dbraw/zinc/35/25/34/1189352534.db2.gz KBNIQYLKHKXHMC-IBGZPJMESA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1ccc(CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c(O)c1 ZINC001560633139 1189352537 /nfs/dbraw/zinc/35/25/37/1189352537.db2.gz KBNIQYLKHKXHMC-IBGZPJMESA-N 1 1 310.441 3.407 20 10 DGCDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001560630472 1189353210 /nfs/dbraw/zinc/35/32/10/1189353210.db2.gz XYZPRQBSHUNFQB-INIZCTEOSA-N 1 1 318.461 3.254 20 10 DGCDMO CCOCCO[C@H]1CC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001560640881 1189353620 /nfs/dbraw/zinc/35/36/20/1189353620.db2.gz YEEVFUYJOWONPT-KRWDZBQOSA-N 1 1 307.434 3.143 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC001560671115 1189357790 /nfs/dbraw/zinc/35/77/90/1189357790.db2.gz SNIUBYAPODOCQA-BLLLJJGKSA-N 1 1 323.339 3.352 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC001560671115 1189357796 /nfs/dbraw/zinc/35/77/96/1189357796.db2.gz SNIUBYAPODOCQA-BLLLJJGKSA-N 1 1 323.339 3.352 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)cc1F ZINC001560876930 1189398967 /nfs/dbraw/zinc/39/89/67/1189398967.db2.gz DXYDUYXTTMFBFT-MNOVXSKESA-N 1 1 302.315 3.118 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)cc1F ZINC001560876930 1189398969 /nfs/dbraw/zinc/39/89/69/1189398969.db2.gz DXYDUYXTTMFBFT-MNOVXSKESA-N 1 1 302.315 3.118 20 10 DGCDMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CC=CCC1 ZINC001560896523 1189401855 /nfs/dbraw/zinc/40/18/55/1189401855.db2.gz BGTLFWHWSRQALS-OAHLLOKOSA-N 1 1 303.402 3.114 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c(O)c1 ZINC001561042502 1189424953 /nfs/dbraw/zinc/42/49/53/1189424953.db2.gz CDJHTBUBEYVTOB-HZPDHXFCSA-N 1 1 319.445 3.348 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c(O)c1 ZINC001561042503 1189425618 /nfs/dbraw/zinc/42/56/18/1189425618.db2.gz CDJHTBUBEYVTOB-JKSUJKDBSA-N 1 1 319.445 3.348 20 10 DGCDMO Cn1c[nH+]cc1C1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001561050587 1189426952 /nfs/dbraw/zinc/42/69/52/1189426952.db2.gz AITDFLZRRCXOPU-UHFFFAOYSA-N 1 1 323.799 3.298 20 10 DGCDMO CC(C)[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCCC1 ZINC001620713150 1193794500 /nfs/dbraw/zinc/79/45/00/1193794500.db2.gz VEDHOJZVUCPMSI-SFHVURJKSA-N 1 1 307.457 3.102 20 10 DGCDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC001621114675 1193804879 /nfs/dbraw/zinc/80/48/79/1193804879.db2.gz QVFJEIWSNOEESB-WBVHZDCISA-N 1 1 318.461 3.217 20 10 DGCDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC001621114673 1193805264 /nfs/dbraw/zinc/80/52/64/1193805264.db2.gz QVFJEIWSNOEESB-NVXWUHKLSA-N 1 1 318.461 3.217 20 10 DGCDMO COc1c([O-])c(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001621323382 1193830684 /nfs/dbraw/zinc/83/06/84/1193830684.db2.gz CCVQKDYAMRMRBF-AAEUAGOBSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+](C)[C@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001621323382 1193830688 /nfs/dbraw/zinc/83/06/88/1193830688.db2.gz CCVQKDYAMRMRBF-AAEUAGOBSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001621323382 1193830691 /nfs/dbraw/zinc/83/06/91/1193830691.db2.gz CCVQKDYAMRMRBF-AAEUAGOBSA-N 1 1 308.378 3.320 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC001621344619 1193830970 /nfs/dbraw/zinc/83/09/70/1193830970.db2.gz UWIMLPPVRNHFTO-UHFFFAOYSA-N 1 1 318.245 3.374 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC001621408996 1193838442 /nfs/dbraw/zinc/83/84/42/1193838442.db2.gz OAENXTUKOYSXOW-JSGCOSHPSA-N 1 1 323.408 3.331 20 10 DGCDMO C[C@H]1CC[N@H+](Cc2cccc(F)c2O)C[C@@H]1C(=O)OC(C)(C)C ZINC001621408996 1193838445 /nfs/dbraw/zinc/83/84/45/1193838445.db2.gz OAENXTUKOYSXOW-JSGCOSHPSA-N 1 1 323.408 3.331 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C[C@@H]1C(=O)OC(C)(C)C ZINC001621408996 1193838447 /nfs/dbraw/zinc/83/84/47/1193838447.db2.gz OAENXTUKOYSXOW-JSGCOSHPSA-N 1 1 323.408 3.331 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cccn2C(F)F)cc1 ZINC001621423646 1193840728 /nfs/dbraw/zinc/84/07/28/1193840728.db2.gz APYOXENOMHUVNR-UHFFFAOYSA-N 1 1 323.387 3.460 20 10 DGCDMO CC(C)O[C@@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001621424833 1193841071 /nfs/dbraw/zinc/84/10/71/1193841071.db2.gz GMGGNPYTIRWUJR-CQSZACIVSA-N 1 1 312.404 3.420 20 10 DGCDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001621424833 1193841077 /nfs/dbraw/zinc/84/10/77/1193841077.db2.gz GMGGNPYTIRWUJR-CQSZACIVSA-N 1 1 312.404 3.420 20 10 DGCDMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001633315054 1194430987 /nfs/dbraw/zinc/43/09/87/1194430987.db2.gz CXUDOHRQHCJUML-DOTOQJQBSA-N 1 1 317.477 3.052 20 10 DGCDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001633315056 1194431438 /nfs/dbraw/zinc/43/14/38/1194431438.db2.gz CXUDOHRQHCJUML-RDJZCZTQSA-N 1 1 317.477 3.052 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@H](CO)Cc2ccccc2)cc1 ZINC001643796522 1195054442 /nfs/dbraw/zinc/05/44/42/1195054442.db2.gz OKMGPVABJIIMGD-FQEVSTJZSA-N 1 1 312.457 3.178 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@]2(C)C(=O)OC(C)(C)C)cc1 ZINC001643956058 1195067115 /nfs/dbraw/zinc/06/71/15/1195067115.db2.gz VHTWDPSOPSHXKV-LJQANCHMSA-N 1 1 318.461 3.449 20 10 DGCDMO CCOC(=O)C[N@H+](CC)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001644418788 1195107121 /nfs/dbraw/zinc/10/71/21/1195107121.db2.gz UWPIXHFNEKUMAM-UHFFFAOYSA-N 1 1 318.461 3.370 20 10 DGCDMO CCOC(=O)C[N@@H+](CC)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001644418788 1195107123 /nfs/dbraw/zinc/10/71/23/1195107123.db2.gz UWPIXHFNEKUMAM-UHFFFAOYSA-N 1 1 318.461 3.370 20 10 DGCDMO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)Oc1ccc(F)cc1 ZINC001647029522 1195240453 /nfs/dbraw/zinc/24/04/53/1195240453.db2.gz FPMHBRJDKFEBMH-SNVBAGLBSA-N 1 1 311.303 3.367 20 10 DGCDMO CC(C)(C)CC[C@@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001651001546 1195402396 /nfs/dbraw/zinc/40/23/96/1195402396.db2.gz PEFDURBQBDVGNR-JTQLQIEISA-N 1 1 303.805 3.462 20 10 DGCDMO CC[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)CCS1 ZINC001651932020 1195524793 /nfs/dbraw/zinc/52/47/93/1195524793.db2.gz IRTVCOPESYKFRE-GFCCVEGCSA-N 1 1 300.418 3.358 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CCS1 ZINC001651932020 1195524796 /nfs/dbraw/zinc/52/47/96/1195524796.db2.gz IRTVCOPESYKFRE-GFCCVEGCSA-N 1 1 300.418 3.358 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]Cc1ccc(Br)o1 ZINC001652247740 1195569067 /nfs/dbraw/zinc/56/90/67/1195569067.db2.gz JIIZPYYUFLZQSE-UHFFFAOYSA-N 1 1 318.117 3.316 20 10 DGCDMO Cc1cccnc1C[NH2+]Cc1cccc(Br)c1O ZINC000071340013 1195954695 /nfs/dbraw/zinc/95/46/95/1195954695.db2.gz TWQZWZWIGNKCGS-UHFFFAOYSA-N 1 1 307.191 3.148 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2ccc(C)nc2)c1 ZINC001656067667 1195993884 /nfs/dbraw/zinc/99/38/84/1195993884.db2.gz TZNGTOTXUIMBOJ-UHFFFAOYSA-N 1 1 321.218 3.456 20 10 DGCDMO C[C@H](COc1ccc(F)cc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC001656417821 1196037762 /nfs/dbraw/zinc/03/77/62/1196037762.db2.gz DEYARPMJTURWIU-SNVBAGLBSA-N 1 1 311.303 3.367 20 10 DGCDMO COc1cc(C)c(C[N@H+](C)C2CCN(C(C)C)CC2)c(O)c1 ZINC001657636330 1196163563 /nfs/dbraw/zinc/16/35/63/1196163563.db2.gz JOUDGISCSWCMAC-UHFFFAOYSA-N 1 1 306.450 3.014 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)C2CCN(C(C)C)CC2)c(O)c1 ZINC001657636330 1196163564 /nfs/dbraw/zinc/16/35/64/1196163564.db2.gz JOUDGISCSWCMAC-UHFFFAOYSA-N 1 1 306.450 3.014 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCCCC[C@H]2CCO)cc1 ZINC001658092356 1196211142 /nfs/dbraw/zinc/21/11/42/1196211142.db2.gz CSQLEXMCDMYHGX-RURPWVQCSA-N 1 1 302.462 3.393 20 10 DGCDMO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cccc(F)c2O)C1 ZINC001658375266 1196248112 /nfs/dbraw/zinc/24/81/12/1196248112.db2.gz QMGBWOCCHFPSKJ-JSGCOSHPSA-N 1 1 323.408 3.331 20 10 DGCDMO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cccc(F)c2O)C1 ZINC001658375266 1196248113 /nfs/dbraw/zinc/24/81/13/1196248113.db2.gz QMGBWOCCHFPSKJ-JSGCOSHPSA-N 1 1 323.408 3.331 20 10 DGCDMO COc1ccccc1C1([NH2+]Cc2cc(F)c(F)cc2O)CC1 ZINC001658410132 1196252810 /nfs/dbraw/zinc/25/28/10/1196252810.db2.gz FNEWAYCZUYDHSP-UHFFFAOYSA-N 1 1 305.324 3.458 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@@H]2CC3CCC2CC3)ccc1[N+](=O)[O-] ZINC001658414586 1196252864 /nfs/dbraw/zinc/25/28/64/1196252864.db2.gz MVSWJJUMLGSAPZ-YIZWMMSDSA-N 1 1 320.389 3.225 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC001658592306 1196278114 /nfs/dbraw/zinc/27/81/14/1196278114.db2.gz ZVGAOUPXGSUJEG-GUYCJALGSA-N 1 1 312.404 3.306 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC001658592306 1196278118 /nfs/dbraw/zinc/27/81/18/1196278118.db2.gz ZVGAOUPXGSUJEG-GUYCJALGSA-N 1 1 312.404 3.306 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC001658599082 1196278373 /nfs/dbraw/zinc/27/83/73/1196278373.db2.gz TZEVWPVYESHNJJ-JCURWCKSSA-N 1 1 305.299 3.237 20 10 DGCDMO COc1ccc(F)cc1CC[NH2+]Cc1cc(F)cc(F)c1O ZINC001658600122 1196279072 /nfs/dbraw/zinc/27/90/72/1196279072.db2.gz LRAAOFWKMDKPAN-UHFFFAOYSA-N 1 1 311.303 3.150 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC001658675768 1196287238 /nfs/dbraw/zinc/28/72/38/1196287238.db2.gz OMRUVLHAGQEBEG-RHSMWYFYSA-N 1 1 319.351 3.368 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC001658675768 1196287239 /nfs/dbraw/zinc/28/72/39/1196287239.db2.gz OMRUVLHAGQEBEG-RHSMWYFYSA-N 1 1 319.351 3.368 20 10 DGCDMO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cc(F)ccc1F ZINC001658761605 1196297781 /nfs/dbraw/zinc/29/77/81/1196297781.db2.gz WELOTGYWRXJNCL-QGZVFWFLSA-N 1 1 319.351 3.113 20 10 DGCDMO Cc1ccc(C[NH2+]Cc2cccc(F)c2O)c(N2CCCC2)n1 ZINC001658800033 1196302993 /nfs/dbraw/zinc/30/29/93/1196302993.db2.gz VNJSRKAKQMPLCR-UHFFFAOYSA-N 1 1 315.392 3.125 20 10 DGCDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cccc(CC)c2O)C1 ZINC001659009018 1196332382 /nfs/dbraw/zinc/33/23/82/1196332382.db2.gz FIRVKIHQJHWSLF-LJQANCHMSA-N 1 1 319.445 3.366 20 10 DGCDMO CCCNC(=O)C[N@@H+](CCC)Cc1cc(Cl)c(C)cc1O ZINC001659069886 1196340503 /nfs/dbraw/zinc/34/05/03/1196340503.db2.gz KZBUOTOGNUSVEP-UHFFFAOYSA-N 1 1 312.841 3.092 20 10 DGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC001659290652 1196368406 /nfs/dbraw/zinc/36/84/06/1196368406.db2.gz RVNUFUBQMOOABZ-INIZCTEOSA-N 1 1 309.356 3.061 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC001659290652 1196368410 /nfs/dbraw/zinc/36/84/10/1196368410.db2.gz RVNUFUBQMOOABZ-INIZCTEOSA-N 1 1 309.356 3.061 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC001659290652 1196368416 /nfs/dbraw/zinc/36/84/16/1196368416.db2.gz RVNUFUBQMOOABZ-INIZCTEOSA-N 1 1 309.356 3.061 20 10 DGCDMO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(C(C)C)ccc3O)C2)[nH]1 ZINC001659408001 1196380358 /nfs/dbraw/zinc/38/03/58/1196380358.db2.gz YGCGDBCSPOCQPU-HNNXBMFYSA-N 1 1 314.433 3.322 20 10 DGCDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc(C(C)C)ccc3O)C2)n1 ZINC001659408001 1196380360 /nfs/dbraw/zinc/38/03/60/1196380360.db2.gz YGCGDBCSPOCQPU-HNNXBMFYSA-N 1 1 314.433 3.322 20 10 DGCDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc(C(C)C)ccc3O)C2)n1 ZINC001659408001 1196380362 /nfs/dbraw/zinc/38/03/62/1196380362.db2.gz YGCGDBCSPOCQPU-HNNXBMFYSA-N 1 1 314.433 3.322 20 10 DGCDMO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(C(C)C)ccc3O)C2)n[nH]1 ZINC001659408001 1196380365 /nfs/dbraw/zinc/38/03/65/1196380365.db2.gz YGCGDBCSPOCQPU-HNNXBMFYSA-N 1 1 314.433 3.322 20 10 DGCDMO Cc1nc([C@H]2CCC[N@H+](Cc3cc(C(C)C)ccc3O)C2)n[nH]1 ZINC001659408001 1196380368 /nfs/dbraw/zinc/38/03/68/1196380368.db2.gz YGCGDBCSPOCQPU-HNNXBMFYSA-N 1 1 314.433 3.322 20 10 DGCDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001659482313 1196387376 /nfs/dbraw/zinc/38/73/76/1196387376.db2.gz XYTQKWUOVPTMJQ-OUKYMLFCSA-N 1 1 302.462 3.247 20 10 DGCDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001659482310 1196387625 /nfs/dbraw/zinc/38/76/25/1196387625.db2.gz XYTQKWUOVPTMJQ-MRJYEXDBSA-N 1 1 302.462 3.247 20 10 DGCDMO CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001659748192 1196411268 /nfs/dbraw/zinc/41/12/68/1196411268.db2.gz HECOFSCFRWQEQB-MRXNPFEDSA-N 1 1 318.367 3.381 20 10 DGCDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001659748192 1196411274 /nfs/dbraw/zinc/41/12/74/1196411274.db2.gz HECOFSCFRWQEQB-MRXNPFEDSA-N 1 1 318.367 3.381 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H](c1ccccc1)N(C)C ZINC001662266267 1196700994 /nfs/dbraw/zinc/70/09/94/1196700994.db2.gz LNGUTSDURLHIGH-SJCJKPOMSA-N 1 1 320.383 3.451 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H](c1ccccc1)N(C)C ZINC001662266269 1196701041 /nfs/dbraw/zinc/70/10/41/1196701041.db2.gz LNGUTSDURLHIGH-YVEFUNNKSA-N 1 1 320.383 3.451 20 10 DGCDMO C[N@H+](Cc1cn(C2CC2)cn1)Cc1ccc(N2CCCC2)cc1 ZINC001664627018 1197023795 /nfs/dbraw/zinc/02/37/95/1197023795.db2.gz JXBNKXUSCFQJGJ-UHFFFAOYSA-N 1 1 310.445 3.450 20 10 DGCDMO C[N@@H+](Cc1cn(C2CC2)cn1)Cc1ccc(N2CCCC2)cc1 ZINC001664627018 1197023799 /nfs/dbraw/zinc/02/37/99/1197023799.db2.gz JXBNKXUSCFQJGJ-UHFFFAOYSA-N 1 1 310.445 3.450 20 10 DGCDMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](C)C(C)(C)C ZINC001665054330 1197091288 /nfs/dbraw/zinc/09/12/88/1197091288.db2.gz ULXIEBFAOPTSHA-CQSZACIVSA-N 1 1 307.434 3.440 20 10 DGCDMO COC[C@H]([NH2+]Cc1cc(F)c(F)cc1O)c1cccc(OC)c1 ZINC001665189929 1197106735 /nfs/dbraw/zinc/10/67/35/1197106735.db2.gz NOTOSTJHORVSBH-INIZCTEOSA-N 1 1 323.339 3.156 20 10 DGCDMO Oc1c(F)cccc1C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC001665340022 1197125545 /nfs/dbraw/zinc/12/55/45/1197125545.db2.gz DLAQKHQNRJUWFE-UHFFFAOYSA-N 1 1 311.259 3.143 20 10 DGCDMO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(N)cc1 ZINC000320110064 1199844791 /nfs/dbraw/zinc/84/47/91/1199844791.db2.gz RBOQVVSJYAFSIF-UHFFFAOYSA-N 1 1 315.392 3.257 20 10 DGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)C1CCOCC1 ZINC000132965994 1201184255 /nfs/dbraw/zinc/18/42/55/1201184255.db2.gz ALVIYLXEAZZORQ-UHFFFAOYSA-N 1 1 314.223 3.156 20 10 DGCDMO CCOC(=O)N1CCC[C@H]([N@@H+](CC)Cc2ccccc2O)CC1 ZINC001169706395 1081634849 /nfs/dbraw/zinc/63/48/49/1081634849.db2.gz LPEBDGNCPUMPKS-INIZCTEOSA-N 1 1 320.433 3.225 20 10 DGCDMO C[NH+](C)Cc1c(F)cc(NCc2ccc(O)c(O)c2)cc1F ZINC001169996650 1081820003 /nfs/dbraw/zinc/82/00/03/1081820003.db2.gz FJAOOOSWYHSYLB-UHFFFAOYSA-N 1 1 308.328 3.050 20 10 DGCDMO Cc1ccnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC001167427015 1082097216 /nfs/dbraw/zinc/09/72/16/1082097216.db2.gz UEJUYQXHYIDFCN-UHFFFAOYSA-N 1 1 310.445 3.062 20 10 DGCDMO Cc1cc[nH+]c2cc(NCC(=O)c3ccc(O)c(O)c3)ccc12 ZINC001170323332 1082346165 /nfs/dbraw/zinc/34/61/65/1082346165.db2.gz XGNZEBZGKVRBEW-UHFFFAOYSA-N 1 1 308.337 3.249 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170758959 1083311166 /nfs/dbraw/zinc/31/11/66/1083311166.db2.gz ZNEAOFUMBJDBCF-LDLYASANSA-N 1 1 314.473 3.390 20 10 DGCDMO Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC001181845342 1083557671 /nfs/dbraw/zinc/55/76/71/1083557671.db2.gz UBULGKAUIPUIRZ-WBVHZDCISA-N 1 1 318.804 3.451 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c(Cl)c1 ZINC001182109782 1083622829 /nfs/dbraw/zinc/62/28/29/1083622829.db2.gz UHHPILFZTOLIOH-HNNXBMFYSA-N 1 1 319.832 3.389 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(O)c1 ZINC001182128268 1083625258 /nfs/dbraw/zinc/62/52/58/1083625258.db2.gz SQSJAYAVJSQCPU-ROUUACIJSA-N 1 1 317.429 3.243 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC001182908833 1083839550 /nfs/dbraw/zinc/83/95/50/1083839550.db2.gz BEGDYVAHZWLQHG-GJZGRUSLSA-N 1 1 319.351 3.333 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c(O)cc1Br 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CXBXINZTFHAWSR-AWEZNQCLSA-N 1 1 313.397 3.399 20 10 DGCDMO COc1cccc(C[N@@H+]2C[C@H](C)OC[C@H]2c2ccccc2)c1O ZINC000093660727 431917136 /nfs/dbraw/zinc/91/71/36/431917136.db2.gz OTYIEMASGWWVBW-YOEHRIQHSA-N 1 1 313.397 3.363 20 10 DGCDMO COc1cccc(C[N@H+]2C[C@H](C)OC[C@H]2c2ccccc2)c1O ZINC000093660727 431917138 /nfs/dbraw/zinc/91/71/38/431917138.db2.gz OTYIEMASGWWVBW-YOEHRIQHSA-N 1 1 313.397 3.363 20 10 DGCDMO CCOc1ccc(O)c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683801 431918015 /nfs/dbraw/zinc/91/80/15/431918015.db2.gz ITGHMGFQCNJGEB-INIZCTEOSA-N 1 1 318.461 3.099 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000152430539 432331582 /nfs/dbraw/zinc/33/15/82/432331582.db2.gz YDUAXUQRACYFKK-KXBFYZLASA-N 1 1 301.478 3.278 20 10 DGCDMO C[C@@H]([NH2+]CCn1ccnc1)c1cc(Cl)c(Cl)cc1O ZINC000192604375 432392028 /nfs/dbraw/zinc/39/20/28/432392028.db2.gz BMGOPHQFFCUESA-SECBINFHSA-N 1 1 300.189 3.246 20 10 DGCDMO C[C@@H](c1ccccc1)[N@@H+](CCn1cncn1)Cc1ccccc1O ZINC000272096202 432443667 /nfs/dbraw/zinc/44/36/67/432443667.db2.gz YYHDQRVEFYNJFL-INIZCTEOSA-N 1 1 322.412 3.247 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(F)cc1O ZINC000184984098 432452827 /nfs/dbraw/zinc/45/28/27/432452827.db2.gz PRNGECOXAYHRCP-ZDUSSCGKSA-N 1 1 315.392 3.377 20 10 DGCDMO CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000185027461 432457751 /nfs/dbraw/zinc/45/77/51/432457751.db2.gz OQCCFVITZAVAPO-LBPRGKRZSA-N 1 1 316.376 3.132 20 10 DGCDMO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)[nH]1 ZINC000271499370 432408988 /nfs/dbraw/zinc/40/89/88/432408988.db2.gz LXAJAVRPURYCRJ-QWHCGFSZSA-N 1 1 301.438 3.235 20 10 DGCDMO CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000185215002 432477588 /nfs/dbraw/zinc/47/75/88/432477588.db2.gz JGVJGIDMNABFRN-CYBMUJFWSA-N 1 1 322.424 3.219 20 10 DGCDMO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000185338039 432493378 /nfs/dbraw/zinc/49/33/78/432493378.db2.gz CSIVZOCMIVJCGM-GFCCVEGCSA-N 1 1 316.376 3.383 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1 ZINC000185580049 432511296 /nfs/dbraw/zinc/51/12/96/432511296.db2.gz QAIGFFZDLVCADZ-HNNXBMFYSA-N 1 1 305.418 3.254 20 10 DGCDMO C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(F)cc1O ZINC000186165576 432564500 /nfs/dbraw/zinc/56/45/00/432564500.db2.gz RWGBWUAYAHZEGV-KZULUSFZSA-N 1 1 301.361 3.016 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c1O ZINC000177027911 432578711 /nfs/dbraw/zinc/57/87/11/432578711.db2.gz JUKULKNPNJHZST-GFCCVEGCSA-N 1 1 323.820 3.249 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1O ZINC000177027911 432578712 /nfs/dbraw/zinc/57/87/12/432578712.db2.gz JUKULKNPNJHZST-GFCCVEGCSA-N 1 1 323.820 3.249 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1ccc(F)cc1O ZINC000273463330 432603228 /nfs/dbraw/zinc/60/32/28/432603228.db2.gz INHXTKDGCVANLE-PSVSLLHZSA-N 1 1 307.340 3.443 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC3(C2)CCOCC3)c1O ZINC000273733037 432630285 /nfs/dbraw/zinc/63/02/85/432630285.db2.gz KLADSLWNJUZLTF-UHFFFAOYSA-N 1 1 311.809 3.057 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2ncc(Cl)n2C)cc1 ZINC000264551132 432658341 /nfs/dbraw/zinc/65/83/41/432658341.db2.gz ZWSNQJWFQVUXHA-UHFFFAOYSA-N 1 1 306.841 3.210 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)Cc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000278257127 432891052 /nfs/dbraw/zinc/89/10/52/432891052.db2.gz PXICRCSNBUBMBU-UHFFFAOYSA-N 1 1 320.320 3.080 20 10 DGCDMO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278369210 432891756 /nfs/dbraw/zinc/89/17/56/432891756.db2.gz BYUNYPIBLQJQHP-DTWKUNHWSA-N 1 1 319.232 3.216 20 10 DGCDMO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278369215 432892298 /nfs/dbraw/zinc/89/22/98/432892298.db2.gz BYUNYPIBLQJQHP-RKDXNWHRSA-N 1 1 319.232 3.216 20 10 DGCDMO Cc1ccc([C@@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(O)c1 ZINC000296621254 432924039 /nfs/dbraw/zinc/92/40/39/432924039.db2.gz WXBJLPMLWOFEGC-OWCLPIDISA-N 1 1 324.424 3.043 20 10 DGCDMO CN1CCCc2cc(C[NH2+]Cc3cc(F)ncc3F)ccc21 ZINC000296404391 432904381 /nfs/dbraw/zinc/90/43/81/432904381.db2.gz LSFHNEAPLXAPQW-UHFFFAOYSA-N 1 1 303.356 3.032 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1O ZINC000296402570 432904502 /nfs/dbraw/zinc/90/45/02/432904502.db2.gz UUSDDFDLEDMGQK-WQVCFCJDSA-N 1 1 323.820 3.151 20 10 DGCDMO CSC1(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000289031858 432914560 /nfs/dbraw/zinc/91/45/60/432914560.db2.gz HBEVNIUDOBPDIA-OAHLLOKOSA-N 1 1 307.459 3.269 20 10 DGCDMO COc1c(O)c(C[NH2+]CCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278902377 432915579 /nfs/dbraw/zinc/91/55/79/432915579.db2.gz RGWPSONDBKESFJ-UHFFFAOYSA-N 1 1 316.357 3.031 20 10 DGCDMO Cc1cccc(C[N@H+](C)CCCN(C)Cc2ccco2)c1O ZINC000289766720 432974837 /nfs/dbraw/zinc/97/48/37/432974837.db2.gz KGGGSKFRRSMGDY-UHFFFAOYSA-N 1 1 302.418 3.248 20 10 DGCDMO CC1CCN(c2ccc(C[NH2+][C@H]3CCn4ccnc43)cc2)CC1 ZINC000297600964 432998969 /nfs/dbraw/zinc/99/89/69/432998969.db2.gz IAIXWMMELOQLLN-SFHVURJKSA-N 1 1 310.445 3.354 20 10 DGCDMO C[N@H+](Cc1cnc(Br)s1)Cc1ccccc1O ZINC000290139372 432999993 /nfs/dbraw/zinc/99/99/93/432999993.db2.gz VQKZMPMEAJJJTE-UHFFFAOYSA-N 1 1 313.220 3.243 20 10 DGCDMO C[N@@H+](Cc1cnc(Br)s1)Cc1ccccc1O ZINC000290139372 432999996 /nfs/dbraw/zinc/99/99/96/432999996.db2.gz VQKZMPMEAJJJTE-UHFFFAOYSA-N 1 1 313.220 3.243 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(OC)CC2)c1O ZINC000280107052 433000947 /nfs/dbraw/zinc/00/09/47/433000947.db2.gz AUJUIZOHOZSMRD-MRXNPFEDSA-N 1 1 313.825 3.445 20 10 DGCDMO CCc1nnc(C[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)s1 ZINC000290171007 433005176 /nfs/dbraw/zinc/00/51/76/433005176.db2.gz MRLHAUJXVDQBSL-LBPRGKRZSA-N 1 1 304.463 3.407 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1O ZINC000290369887 433041001 /nfs/dbraw/zinc/04/10/01/433041001.db2.gz ANTWTWCXALTQQI-AWEZNQCLSA-N 1 1 321.808 3.088 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)c1O ZINC000280487454 433060779 /nfs/dbraw/zinc/06/07/79/433060779.db2.gz ONCJRFICLFRQMY-SMDDNHRTSA-N 1 1 313.825 3.180 20 10 DGCDMO C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)CC1 ZINC000290605304 433114701 /nfs/dbraw/zinc/11/47/01/433114701.db2.gz WGKMVTGBPCHZNX-CQSZACIVSA-N 1 1 308.853 3.209 20 10 DGCDMO Cn1cc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc2)cn1 ZINC000374644291 433247471 /nfs/dbraw/zinc/24/74/71/433247471.db2.gz GXTFWWHKWPNXHA-HXUWFJFHSA-N 1 1 319.408 3.234 20 10 DGCDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000281188441 433270218 /nfs/dbraw/zinc/27/02/18/433270218.db2.gz RYPFJMXFJBYULA-INIZCTEOSA-N 1 1 315.417 3.344 20 10 DGCDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cc(OC)ccc1O ZINC000281188441 433270226 /nfs/dbraw/zinc/27/02/26/433270226.db2.gz RYPFJMXFJBYULA-INIZCTEOSA-N 1 1 315.417 3.344 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c1 ZINC000281349524 433288764 /nfs/dbraw/zinc/28/87/64/433288764.db2.gz UACIYINAGSYULX-QGZVFWFLSA-N 1 1 315.417 3.252 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1O ZINC000375320656 433427134 /nfs/dbraw/zinc/42/71/34/433427134.db2.gz RMGBVOSJSIQDRH-INIZCTEOSA-N 1 1 321.392 3.125 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1O ZINC000375320656 433427143 /nfs/dbraw/zinc/42/71/43/433427143.db2.gz RMGBVOSJSIQDRH-INIZCTEOSA-N 1 1 321.392 3.125 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)CC(F)(F)F ZINC000282346016 433575539 /nfs/dbraw/zinc/57/55/39/433575539.db2.gz CFKZVYNOWPCJRK-ZDUSSCGKSA-N 1 1 305.340 3.308 20 10 DGCDMO CCCC[N@H+](Cc1nnc(C(C)C)[nH]1)Cc1ccccc1O ZINC000292786354 433595718 /nfs/dbraw/zinc/59/57/18/433595718.db2.gz JUTPSYJHNBTJBJ-UHFFFAOYSA-N 1 1 302.422 3.436 20 10 DGCDMO CCCC[N@@H+](Cc1nnc(C(C)C)[nH]1)Cc1ccccc1O ZINC000292786354 433595729 /nfs/dbraw/zinc/59/57/29/433595729.db2.gz JUTPSYJHNBTJBJ-UHFFFAOYSA-N 1 1 302.422 3.436 20 10 DGCDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000362333920 433652941 /nfs/dbraw/zinc/65/29/41/433652941.db2.gz FOGNDMXTRPGMQG-KRWDZBQOSA-N 1 1 316.424 3.271 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2cn(C)nc2C)c1O ZINC000362335529 433651126 /nfs/dbraw/zinc/65/11/26/433651126.db2.gz LSGFWKPTMCWCAB-INIZCTEOSA-N 1 1 315.417 3.170 20 10 DGCDMO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC000293439022 433739698 /nfs/dbraw/zinc/73/96/98/433739698.db2.gz JTXGDRQKULQNOC-MRXNPFEDSA-N 1 1 314.433 3.132 20 10 DGCDMO CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293506758 433763369 /nfs/dbraw/zinc/76/33/69/433763369.db2.gz AHEAZXFAQQILFP-LLVKDONJSA-N 1 1 300.805 3.006 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1N(C)C ZINC000293815578 433881376 /nfs/dbraw/zinc/88/13/76/433881376.db2.gz ONVSRODZTSLWJH-DNVCBOLYSA-N 1 1 312.461 3.341 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)ccc1N(C)C ZINC000294450816 434117393 /nfs/dbraw/zinc/11/73/93/434117393.db2.gz FUAMNIMEEMNYSG-QGZVFWFLSA-N 1 1 318.461 3.036 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1C ZINC000294825358 434145607 /nfs/dbraw/zinc/14/56/07/434145607.db2.gz PKHURNZWLXVNJB-HNNXBMFYSA-N 1 1 318.461 3.123 20 10 DGCDMO C[N@@H+](Cc1cc(F)ccc1O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000294977999 434158174 /nfs/dbraw/zinc/15/81/74/434158174.db2.gz GIOJXDCKVQFUDE-HNNXBMFYSA-N 1 1 309.768 3.350 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1O ZINC000364462553 434272552 /nfs/dbraw/zinc/27/25/52/434272552.db2.gz LYTYBVHIRBYMSN-MRXNPFEDSA-N 1 1 305.418 3.182 20 10 DGCDMO c1coc([C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000371332709 434669023 /nfs/dbraw/zinc/66/90/23/434669023.db2.gz QXEBYYGOKQYFGV-QGZVFWFLSA-N 1 1 312.413 3.106 20 10 DGCDMO CCOC[C@H]1C[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000530105984 435043031 /nfs/dbraw/zinc/04/30/31/435043031.db2.gz JZYCMNUBHONWJN-MRXNPFEDSA-N 1 1 321.461 3.235 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)ccc1N(C)C ZINC000293580380 335109081 /nfs/dbraw/zinc/10/90/81/335109081.db2.gz NQFCPOKJNFSWLX-NRFANRHFSA-N 1 1 324.468 3.197 20 10 DGCDMO Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187734355 333236900 /nfs/dbraw/zinc/23/69/00/333236900.db2.gz PLATVAWEZARABZ-LLVKDONJSA-N 1 1 309.360 3.306 20 10 DGCDMO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)c(O)c1 ZINC000289845637 334168372 /nfs/dbraw/zinc/16/83/72/334168372.db2.gz PSARWEPOBPTGOD-HNNXBMFYSA-N 1 1 317.389 3.210 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CCC[C@H]2c2nc(C)no2)c(O)c1 ZINC000289845637 334168374 /nfs/dbraw/zinc/16/83/74/334168374.db2.gz PSARWEPOBPTGOD-HNNXBMFYSA-N 1 1 317.389 3.210 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1O ZINC000184682165 533954157 /nfs/dbraw/zinc/95/41/57/533954157.db2.gz YMIWJZXHNBDEMR-LLVKDONJSA-N 1 1 321.808 3.157 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC3(CCOCC3)C2)c1O ZINC000267473939 518284249 /nfs/dbraw/zinc/28/42/49/518284249.db2.gz ZWYGJXZIJVCUMN-UHFFFAOYSA-N 1 1 321.392 3.127 20 10 DGCDMO C[N@@H+](CCOCC(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000188638355 522887224 /nfs/dbraw/zinc/88/72/24/522887224.db2.gz JTFGWSOXKXCTGB-UHFFFAOYSA-N 1 1 312.404 3.390 20 10 DGCDMO C[N@@H+](CCOCC(F)(F)C(F)(F)F)Cc1ccccc1O ZINC000189663231 522887320 /nfs/dbraw/zinc/88/73/20/522887320.db2.gz RWWDABDLHVPSIY-UHFFFAOYSA-N 1 1 313.266 3.038 20 10 DGCDMO CCn1cnnc1C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000158471314 523593615 /nfs/dbraw/zinc/59/36/15/523593615.db2.gz IVGDNVGNDUUTAE-OAHLLOKOSA-N 1 1 313.449 3.139 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)c1O ZINC000180024304 524403330 /nfs/dbraw/zinc/40/33/30/524403330.db2.gz AWJGLKSZQWXDRX-QGZVFWFLSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1cccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)c1O ZINC000180024304 524403335 /nfs/dbraw/zinc/40/33/35/524403335.db2.gz AWJGLKSZQWXDRX-QGZVFWFLSA-N 1 1 301.361 3.413 20 10 DGCDMO C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccc(F)cc1O ZINC000187927172 525460953 /nfs/dbraw/zinc/46/09/53/525460953.db2.gz BNFNMBDRVCYIMU-ACJLOTCBSA-N 1 1 303.377 3.480 20 10 DGCDMO Oc1c(Cl)cccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000158025489 526326128 /nfs/dbraw/zinc/32/61/28/526326128.db2.gz UPMQTVUQKKXRFZ-UHFFFAOYSA-N 1 1 308.853 3.496 20 10 DGCDMO CCOC1CC2(C1)CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C2 ZINC000285462101 535398232 /nfs/dbraw/zinc/39/82/32/535398232.db2.gz JTUANVLYTJDXQV-UHFFFAOYSA-N 1 1 321.392 3.125 20 10 DGCDMO CCOc1cccc(C[NH2+][C@@H](C)c2c(F)cncc2F)c1O ZINC000285477148 535462446 /nfs/dbraw/zinc/46/24/46/535462446.db2.gz LEDXQZWCJAXOEW-JTQLQIEISA-N 1 1 308.328 3.315 20 10 DGCDMO CC[C@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1ccc(F)cc1O ZINC000285987337 535911391 /nfs/dbraw/zinc/91/13/91/535911391.db2.gz HYVXNGKZTYYXCL-WMZOPIPTSA-N 1 1 319.376 3.314 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCO[C@@H](C)C2)c1 ZINC000273497781 536792752 /nfs/dbraw/zinc/79/27/52/536792752.db2.gz YDPKNCDVIDSWEI-IHRRRGAJSA-N 1 1 321.417 3.035 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCCOC(C)C)c1 ZINC000273395262 536793077 /nfs/dbraw/zinc/79/30/77/536793077.db2.gz FILWDUWNESKRKW-ZDUSSCGKSA-N 1 1 309.406 3.035 20 10 DGCDMO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000731843868 574560328 /nfs/dbraw/zinc/56/03/28/574560328.db2.gz ZTEULFMVCHYVQR-OAHLLOKOSA-N 1 1 324.424 3.192 20 10 DGCDMO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1=CC(=O)CS1 ZINC000731865352 574560524 /nfs/dbraw/zinc/56/05/24/574560524.db2.gz CAHOHUDDFGNEKZ-OAHLLOKOSA-N 1 1 316.426 3.021 20 10 DGCDMO Cn1c(C[NH2+]Cc2c(O)cccc2Cl)nc2cc(F)ccc21 ZINC000736358029 574745699 /nfs/dbraw/zinc/74/56/99/574745699.db2.gz PLJJTKSUPPDSDJ-UHFFFAOYSA-N 1 1 319.767 3.361 20 10 DGCDMO CCN(CC)c1ccc(CNC[C@H](C)C[NH+]2CCCC2)cc1F ZINC000740003896 574917967 /nfs/dbraw/zinc/91/79/67/574917967.db2.gz ASJXOEBTNIMMLX-INIZCTEOSA-N 1 1 321.484 3.493 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)cc1 ZINC000741754241 574968794 /nfs/dbraw/zinc/96/87/94/574968794.db2.gz MBTDFJJQZYYJCJ-INIZCTEOSA-N 1 1 314.433 3.214 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCOC3)C1)CCC2 ZINC000747830249 575544705 /nfs/dbraw/zinc/54/47/05/575544705.db2.gz LQOYOAPASUBCRM-IRXDYDNUSA-N 1 1 301.430 3.129 20 10 DGCDMO c1csc(SCCC[NH2+]Cc2ccc3nc[nH]c3c2)n1 ZINC000752264137 575829553 /nfs/dbraw/zinc/82/95/53/575829553.db2.gz BHIGVAZBFQWWAD-UHFFFAOYSA-N 1 1 304.444 3.291 20 10 DGCDMO CCN(C)c1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2F)cc1 ZINC000852714024 620642046 /nfs/dbraw/zinc/64/20/46/620642046.db2.gz VEVSOFXDQQSULZ-GOSISDBHSA-N 1 1 320.383 3.244 20 10 DGCDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000154453826 620677222 /nfs/dbraw/zinc/67/72/22/620677222.db2.gz SPRRNHZMQGUPAL-SFHVURJKSA-N 1 1 302.462 3.412 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241016 620681517 /nfs/dbraw/zinc/68/15/17/620681517.db2.gz RRVLWYWWCOLOOO-DZGCQCFKSA-N 1 1 306.425 3.304 20 10 DGCDMO COc1cc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c(O)c(C(C)(C)C)c1 ZINC000853566318 620710448 /nfs/dbraw/zinc/71/04/48/620710448.db2.gz NXMCCOMSQLQGPH-IFXJQAMLSA-N 1 1 319.445 3.167 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c(O)c(C(C)(C)C)c1 ZINC000853565089 620710573 /nfs/dbraw/zinc/71/05/73/620710573.db2.gz AFJLZWOLGJGARC-KXBFYZLASA-N 1 1 303.446 3.466 20 10 DGCDMO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000853576682 620711264 /nfs/dbraw/zinc/71/12/64/620711264.db2.gz DVNAFTPVVFQWFV-CQSZACIVSA-N 1 1 312.413 3.474 20 10 DGCDMO CCC(CC)CCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000853589910 620713668 /nfs/dbraw/zinc/71/36/68/620713668.db2.gz QWKVDGVNWAYCKQ-KRWDZBQOSA-N 1 1 307.434 3.466 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1c1ccncc1)OCO2 ZINC000853629662 620717839 /nfs/dbraw/zinc/71/78/39/620717839.db2.gz LSLVXBFZBWMWBT-GOSISDBHSA-N 1 1 324.380 3.243 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@H]1c1ccncc1)OCO2 ZINC000853629662 620717843 /nfs/dbraw/zinc/71/78/43/620717843.db2.gz LSLVXBFZBWMWBT-GOSISDBHSA-N 1 1 324.380 3.243 20 10 DGCDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1cccc(Cl)c1O ZINC000890761665 617657759 /nfs/dbraw/zinc/65/77/59/617657759.db2.gz VKIONCLNNDZOGZ-LLVKDONJSA-N 1 1 321.808 3.072 20 10 DGCDMO COCCOc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)o1 ZINC000891400598 617792384 /nfs/dbraw/zinc/79/23/84/617792384.db2.gz WXITZAQVJFUCTN-UHFFFAOYSA-N 1 1 318.417 3.003 20 10 DGCDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)c(O)c1OC ZINC000892009681 617944145 /nfs/dbraw/zinc/94/41/45/617944145.db2.gz NMKLDQPPNKDBKV-GFCCVEGCSA-N 1 1 317.385 3.308 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCCc2cnn(C)c2)cc1 ZINC000919769958 620765212 /nfs/dbraw/zinc/76/52/12/620765212.db2.gz AIHYLOIREPQELA-UHFFFAOYSA-N 1 1 314.477 3.331 20 10 DGCDMO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000840889232 618141065 /nfs/dbraw/zinc/14/10/65/618141065.db2.gz FRMJOAALPSYFBA-DTWKUNHWSA-N 1 1 319.232 3.263 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000894480886 618350266 /nfs/dbraw/zinc/35/02/66/618350266.db2.gz RIIZBOXJTOJWFQ-GOSISDBHSA-N 1 1 317.335 3.302 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000894480886 618350271 /nfs/dbraw/zinc/35/02/71/618350271.db2.gz RIIZBOXJTOJWFQ-GOSISDBHSA-N 1 1 317.335 3.302 20 10 DGCDMO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)[nH]1 ZINC000894554917 618384773 /nfs/dbraw/zinc/38/47/73/618384773.db2.gz BPFVCVRBZZSHNF-RYUDHWBXSA-N 1 1 318.421 3.192 20 10 DGCDMO COc1ccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c(O)c1OC ZINC000894735451 618440654 /nfs/dbraw/zinc/44/06/54/618440654.db2.gz JMRXNFYJRLVVDH-ZBFHGGJFSA-N 1 1 303.402 3.030 20 10 DGCDMO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc(F)cc(F)c1O ZINC000894969404 618504059 /nfs/dbraw/zinc/50/40/59/618504059.db2.gz CYWNOTLZWJPXES-UHFFFAOYSA-N 1 1 309.360 3.062 20 10 DGCDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cc(F)cc(F)c1O ZINC000894969404 618504060 /nfs/dbraw/zinc/50/40/60/618504060.db2.gz CYWNOTLZWJPXES-UHFFFAOYSA-N 1 1 309.360 3.062 20 10 DGCDMO COc1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(O)c1OC ZINC000895179838 618568658 /nfs/dbraw/zinc/56/86/58/618568658.db2.gz HPASLDIQINUKOY-OAHLLOKOSA-N 1 1 313.344 3.031 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCc3cc[nH]c(=O)c3C2)c(Cl)c1 ZINC000840942216 618615536 /nfs/dbraw/zinc/61/55/36/618615536.db2.gz VRGHPZUDEZKDNT-UHFFFAOYSA-N 1 1 304.777 3.013 20 10 DGCDMO CO[C@](C)([C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000840961123 618639206 /nfs/dbraw/zinc/63/92/06/618639206.db2.gz QRFOYZVOVOKVOF-RFAUZJTJSA-N 1 1 301.789 3.478 20 10 DGCDMO COCC[N@H+](Cc1cccs1)Cc1cc(F)cc(F)c1O ZINC000893911683 618674879 /nfs/dbraw/zinc/67/48/79/618674879.db2.gz QNOAKEXOKIXYGB-UHFFFAOYSA-N 1 1 313.369 3.381 20 10 DGCDMO COCC[N@@H+](Cc1cccs1)Cc1cc(F)cc(F)c1O ZINC000893911683 618674880 /nfs/dbraw/zinc/67/48/80/618674880.db2.gz QNOAKEXOKIXYGB-UHFFFAOYSA-N 1 1 313.369 3.381 20 10 DGCDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC000893994829 618688449 /nfs/dbraw/zinc/68/84/49/618688449.db2.gz KAZMZDOAPOLJDN-LBPRGKRZSA-N 1 1 307.340 3.053 20 10 DGCDMO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1O ZINC000893994829 618688451 /nfs/dbraw/zinc/68/84/51/618688451.db2.gz KAZMZDOAPOLJDN-LBPRGKRZSA-N 1 1 307.340 3.053 20 10 DGCDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1O ZINC000893994829 618688453 /nfs/dbraw/zinc/68/84/53/618688453.db2.gz KAZMZDOAPOLJDN-LBPRGKRZSA-N 1 1 307.340 3.053 20 10 DGCDMO CCCO[C@H]1CCC[N@@H+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000894016339 618695223 /nfs/dbraw/zinc/69/52/23/618695223.db2.gz BYSCDNOXSJLPPI-INIZCTEOSA-N 1 1 307.434 3.490 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c1O ZINC000894028579 618697030 /nfs/dbraw/zinc/69/70/30/618697030.db2.gz UCBBTWYZBXPQMK-QGZVFWFLSA-N 1 1 315.413 3.265 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(O)c1OC ZINC000894140234 618718988 /nfs/dbraw/zinc/71/89/88/618718988.db2.gz BAHIXMHHTCAAGH-GXSJLCMTSA-N 1 1 319.323 3.182 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC[C@H](c3nccs3)C2)c1O ZINC000895585082 618802866 /nfs/dbraw/zinc/80/28/66/618802866.db2.gz VPJSPBVHJSYJHC-ZDUSSCGKSA-N 1 1 304.415 3.237 20 10 DGCDMO COc1ccc(C[N@@H+](CCO)Cc2c(O)cccc2Cl)cc1 ZINC000895709717 618822514 /nfs/dbraw/zinc/82/25/14/618822514.db2.gz CKDZGIXXALCHNG-UHFFFAOYSA-N 1 1 321.804 3.049 20 10 DGCDMO CCOc1cccc(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)c1O ZINC000896456366 618916267 /nfs/dbraw/zinc/91/62/67/618916267.db2.gz UKMTYKGRTFXSIN-LBPRGKRZSA-N 1 1 321.364 3.271 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCS[C@H](C(F)(F)F)C2)c1O ZINC000896456366 618916270 /nfs/dbraw/zinc/91/62/70/618916270.db2.gz UKMTYKGRTFXSIN-LBPRGKRZSA-N 1 1 321.364 3.271 20 10 DGCDMO Oc1cccc(F)c1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000896636930 618939394 /nfs/dbraw/zinc/93/93/94/618939394.db2.gz JAUZCTDEMPOOPC-UHFFFAOYSA-N 1 1 300.377 3.290 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000897081076 619012345 /nfs/dbraw/zinc/01/23/45/619012345.db2.gz JHTAVQXNUCXNCD-ZBEGNZNMSA-N 1 1 313.800 3.480 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000897269874 619039939 /nfs/dbraw/zinc/03/99/39/619039939.db2.gz RCXFFKFXPOXGDW-HNNXBMFYSA-N 1 1 305.418 3.039 20 10 DGCDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3O)C2)n1 ZINC000897579139 619162390 /nfs/dbraw/zinc/16/23/90/619162390.db2.gz PETJEAWBQZXQIR-HNNXBMFYSA-N 1 1 315.417 3.155 20 10 DGCDMO c1cc(N2CCOCC2)ccc1CNc1ccc(C2CC2)c[nH+]1 ZINC000897711988 619175566 /nfs/dbraw/zinc/17/55/66/619175566.db2.gz JSVONNLGVIFGIL-UHFFFAOYSA-N 1 1 309.413 3.408 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898065441 619210740 /nfs/dbraw/zinc/21/07/40/619210740.db2.gz VRTHSQNCVFPSRE-ZUZCIYMTSA-N 1 1 311.784 3.234 20 10 DGCDMO CCc1cccc(C[N@@H+]2Cc3ncccc3N3CCC[C@H]3C2)c1O ZINC000898165942 619219655 /nfs/dbraw/zinc/21/96/55/619219655.db2.gz SZQACYVRBCGCCN-KRWDZBQOSA-N 1 1 323.440 3.334 20 10 DGCDMO COc1ccc(C[N@@H+](CCCO)Cc2cc(C)ccc2O)cc1 ZINC000898172820 619220685 /nfs/dbraw/zinc/22/06/85/619220685.db2.gz BAIKFENWFLKUQP-UHFFFAOYSA-N 1 1 315.413 3.094 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000898516510 619283512 /nfs/dbraw/zinc/28/35/12/619283512.db2.gz UECUEHYAWNPEML-DOTOQJQBSA-N 1 1 319.445 3.430 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000898516513 619283603 /nfs/dbraw/zinc/28/36/03/619283603.db2.gz UECUEHYAWNPEML-WBVHZDCISA-N 1 1 319.445 3.430 20 10 DGCDMO CC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000902485524 619645842 /nfs/dbraw/zinc/64/58/42/619645842.db2.gz LPTGNVDEPRVTFJ-GAFUQQFSSA-N 1 1 302.340 3.189 20 10 DGCDMO CC[C@H]1c2ccccc2C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000902666449 619662371 /nfs/dbraw/zinc/66/23/71/619662371.db2.gz PYJODNOCLBSDGL-FUHWJXTLSA-N 1 1 311.381 3.285 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1c(O)cccc1F ZINC000903176584 619730230 /nfs/dbraw/zinc/73/02/30/619730230.db2.gz QOKTVZBHBKXICI-SBMIAAHKSA-N 1 1 307.287 3.292 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(F)cc1O ZINC000903179568 619731516 /nfs/dbraw/zinc/73/15/16/619731516.db2.gz QRKWEUKMYXKFHD-PLMOITTCSA-N 1 1 307.287 3.292 20 10 DGCDMO CC[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(F)cc1O ZINC000903198582 619735062 /nfs/dbraw/zinc/73/50/62/619735062.db2.gz MOBFWRVLOKOVPW-MRXNPFEDSA-N 1 1 303.381 3.233 20 10 DGCDMO C[C@@H]([NH2+]Cc1nc(CN(C)C)cs1)c1ccc(N(C)C)cc1 ZINC000903226666 619737970 /nfs/dbraw/zinc/73/79/70/619737970.db2.gz PDSKGPFKWXSXJE-CYBMUJFWSA-N 1 1 318.490 3.122 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1cccc(C(F)(F)F)c1O ZINC000903301266 619753930 /nfs/dbraw/zinc/75/39/30/619753930.db2.gz PETLODFUGRKBOU-CWSCBRNRSA-N 1 1 302.340 3.154 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1cc(F)ccc1O ZINC000903340787 619760484 /nfs/dbraw/zinc/76/04/84/619760484.db2.gz JPHGQIXGUZOURO-QMMMGPOBSA-N 1 1 317.286 3.134 20 10 DGCDMO C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1cc(F)cc(F)c1O ZINC000903364367 619765870 /nfs/dbraw/zinc/76/58/70/619765870.db2.gz XQFSKIUUMPBKKP-XMZIXOGTSA-N 1 1 309.356 3.280 20 10 DGCDMO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000903450366 619778481 /nfs/dbraw/zinc/77/84/81/619778481.db2.gz GMHHJIOTTIWGIU-WZRBSPASSA-N 1 1 311.809 3.428 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959254 619839562 /nfs/dbraw/zinc/83/95/62/619839562.db2.gz DAFSPXFNXABOTC-INIZCTEOSA-N 1 1 312.816 3.150 20 10 DGCDMO CC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000153672255 620592540 /nfs/dbraw/zinc/59/25/40/620592540.db2.gz RWSICSQWVMPOAZ-UHFFFAOYSA-N 1 1 306.425 3.427 20 10 DGCDMO Cc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000153695972 620594594 /nfs/dbraw/zinc/59/45/94/620594594.db2.gz RORIMBSSFZJUIU-SFHVURJKSA-N 1 1 312.413 3.277 20 10 DGCDMO CCC[N@@H+](Cc1cccc(C(=O)NC)c1)Cc1ccccc1O ZINC000113931505 620964249 /nfs/dbraw/zinc/96/42/49/620964249.db2.gz RDBIFKWPIXBNND-UHFFFAOYSA-N 1 1 312.413 3.164 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1CO ZINC000857061025 621053217 /nfs/dbraw/zinc/05/32/17/621053217.db2.gz IDFUGAVWSRJIDI-AEFFLSMTSA-N 1 1 302.462 3.127 20 10 DGCDMO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774142072 621123752 /nfs/dbraw/zinc/12/37/52/621123752.db2.gz XOMFUYSUUKGWFV-VIFPVBQESA-N 1 1 319.232 3.218 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cc(F)cc(F)c1O ZINC000756477249 621125921 /nfs/dbraw/zinc/12/59/21/621125921.db2.gz XDSFEVWLQLDOCG-BJOHPYRUSA-N 1 1 311.303 3.194 20 10 DGCDMO CC(C)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cnn(C)c1 ZINC000922896265 621127289 /nfs/dbraw/zinc/12/72/89/621127289.db2.gz XCHZQRVZAONDGW-OAHLLOKOSA-N 1 1 311.788 3.405 20 10 DGCDMO Cc1cc(C[NH2+]Cc2cn(C)cn2)c(C)n1-c1cccc(C)c1 ZINC000858292790 621172545 /nfs/dbraw/zinc/17/25/45/621172545.db2.gz FTLHOYJOSXBFFL-UHFFFAOYSA-N 1 1 308.429 3.426 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc(F)cc1O ZINC000858453386 621193012 /nfs/dbraw/zinc/19/30/12/621193012.db2.gz KQJQNBLVBZPOAE-LRDDRELGSA-N 1 1 301.361 3.323 20 10 DGCDMO CC(C)(C)CNC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000859138386 621252584 /nfs/dbraw/zinc/25/25/84/621252584.db2.gz DQWJGTFUVDFWDI-UHFFFAOYSA-N 1 1 318.461 3.299 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCOC1CCOCC1)C1CCCC1 ZINC000859140704 621252864 /nfs/dbraw/zinc/25/28/64/621252864.db2.gz YVBPCXDCCPTIPH-UHFFFAOYSA-N 1 1 319.445 3.332 20 10 DGCDMO CCO[C@H](C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000859191134 621258980 /nfs/dbraw/zinc/25/89/80/621258980.db2.gz WQKXZRNMAFJBKC-PKOBYXMFSA-N 1 1 319.445 3.188 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)cc1 ZINC000859588511 621296076 /nfs/dbraw/zinc/29/60/76/621296076.db2.gz IWANKTZQCBTVLB-HXUWFJFHSA-N 1 1 310.441 3.236 20 10 DGCDMO COc1ccc(N2CC[NH+](C[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000838900923 621301340 /nfs/dbraw/zinc/30/13/40/621301340.db2.gz QTRDVLCVKFTQET-GFCCVEGCSA-N 1 1 315.244 3.011 20 10 DGCDMO COc1cc(Cl)cc(C[NH+]2CC(CC(F)(F)F)C2)c1O ZINC000839139270 621340526 /nfs/dbraw/zinc/34/05/26/621340526.db2.gz ZOSZXESNMCFORH-UHFFFAOYSA-N 1 1 309.715 3.438 20 10 DGCDMO Cc1ncc(C[NH2+]Cc2cc(C)cc(Br)c2O)o1 ZINC000839169799 621342131 /nfs/dbraw/zinc/34/21/31/621342131.db2.gz JHGHUAJZOUCHKO-UHFFFAOYSA-N 1 1 311.179 3.049 20 10 DGCDMO Cc1cc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)ccc1N1CCCCC1 ZINC000859969690 621350767 /nfs/dbraw/zinc/35/07/67/621350767.db2.gz BPPPXJPNJZOTQZ-HDICACEKSA-N 1 1 302.462 3.188 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000754727813 621528291 /nfs/dbraw/zinc/52/82/91/621528291.db2.gz QKNJHAWSHFBOCE-LJQANCHMSA-N 1 1 310.441 3.498 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000754783665 621532193 /nfs/dbraw/zinc/53/21/93/621532193.db2.gz NUFHBTFNXFTLRU-MRXNPFEDSA-N 1 1 312.413 3.189 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+](CCO)Cc2ccccc2)cc1F ZINC000862212629 621562485 /nfs/dbraw/zinc/56/24/85/621562485.db2.gz UFJMDTPPDGSIEW-UHFFFAOYSA-N 1 1 320.383 3.025 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+](CCO)Cc2ccccc2)cc1F ZINC000862212629 621562486 /nfs/dbraw/zinc/56/24/86/621562486.db2.gz UFJMDTPPDGSIEW-UHFFFAOYSA-N 1 1 320.383 3.025 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCCC3(CCOCC3)C2)cc1F ZINC000862246747 621567568 /nfs/dbraw/zinc/56/75/68/621567568.db2.gz UFQJNWUWSRXXTR-UHFFFAOYSA-N 1 1 324.415 3.423 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1F ZINC000862293039 621572527 /nfs/dbraw/zinc/57/25/27/621572527.db2.gz MTEWDDJPCBKQDD-QGZVFWFLSA-N 1 1 324.415 3.422 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)cc1F ZINC000862300427 621572976 /nfs/dbraw/zinc/57/29/76/621572976.db2.gz PBQUXVJSQSOTEH-SJKOYZFVSA-N 1 1 312.404 3.014 20 10 DGCDMO COC[C@H]1CCCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862333945 621575198 /nfs/dbraw/zinc/57/51/98/621575198.db2.gz PZQUTIURTXVINH-ZDUSSCGKSA-N 1 1 312.404 3.279 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000862468512 621592899 /nfs/dbraw/zinc/59/28/99/621592899.db2.gz JZLIJJMKVJBCFB-JTQLQIEISA-N 1 1 322.758 3.004 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862483603 621594019 /nfs/dbraw/zinc/59/40/19/621594019.db2.gz VGRCYZSFTILKAB-GOSISDBHSA-N 1 1 301.361 3.015 20 10 DGCDMO CCC(O)(CC)C[N@H+](C)Cc1cccc(Br)c1O ZINC000862538909 621598375 /nfs/dbraw/zinc/59/83/75/621598375.db2.gz GGWHXOXWZJTFKH-UHFFFAOYSA-N 1 1 316.239 3.138 20 10 DGCDMO CCC(O)(CC)C[N@@H+](C)Cc1cccc(Br)c1O ZINC000862538909 621598376 /nfs/dbraw/zinc/59/83/76/621598376.db2.gz GGWHXOXWZJTFKH-UHFFFAOYSA-N 1 1 316.239 3.138 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2ccco2)c1 ZINC000756381166 621633438 /nfs/dbraw/zinc/63/34/38/621633438.db2.gz XTRSYBXELXKYOX-NEPJUHHUSA-N 1 1 303.358 3.054 20 10 DGCDMO COc1ccc(O)c([C@H](C)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000756454362 621639601 /nfs/dbraw/zinc/63/96/01/621639601.db2.gz MBLVPGBGKYUZDG-QXSJWSMHSA-N 1 1 320.477 3.418 20 10 DGCDMO COc1ccc(O)c([C@H](C)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000756454362 621639604 /nfs/dbraw/zinc/63/96/04/621639604.db2.gz MBLVPGBGKYUZDG-QXSJWSMHSA-N 1 1 320.477 3.418 20 10 DGCDMO COc1ccc(O)c([C@H](C)NCC[N@H+](C)C2CCCCC2)c1 ZINC000756459249 621639681 /nfs/dbraw/zinc/63/96/81/621639681.db2.gz ZAKMUPYQNZFXSL-AWEZNQCLSA-N 1 1 306.450 3.316 20 10 DGCDMO COc1ccc(O)c([C@H](C)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000756459249 621639683 /nfs/dbraw/zinc/63/96/83/621639683.db2.gz ZAKMUPYQNZFXSL-AWEZNQCLSA-N 1 1 306.450 3.316 20 10 DGCDMO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756459496 621639955 /nfs/dbraw/zinc/63/99/55/621639955.db2.gz NWJIRRQZJCSGHS-BONVTDFDSA-N 1 1 323.339 3.063 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCCOC1)c1cc(Br)c(F)cc1O ZINC000756554731 621647766 /nfs/dbraw/zinc/64/77/66/621647766.db2.gz JACHUVCVQJAORZ-IUCAKERBSA-N 1 1 318.186 3.123 20 10 DGCDMO CC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756555078 621647995 /nfs/dbraw/zinc/64/79/95/621647995.db2.gz RRFQNFOIGMUYPM-OQPBUACISA-N 1 1 320.202 3.105 20 10 DGCDMO C[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccc(F)cc1O ZINC000756561747 621649313 /nfs/dbraw/zinc/64/93/13/621649313.db2.gz HQGDEZHMVSVLLW-ORAYPTAESA-N 1 1 315.388 3.406 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C(C)C)no2)c1 ZINC000756573876 621650287 /nfs/dbraw/zinc/65/02/87/621650287.db2.gz SOIWPIZMBFTLMR-LLVKDONJSA-N 1 1 318.373 3.141 20 10 DGCDMO CCCC[C@@H](COC)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756584968 621651048 /nfs/dbraw/zinc/65/10/48/621651048.db2.gz HUOGCSTWLWFESY-OCCSQVGLSA-N 1 1 309.406 3.035 20 10 DGCDMO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756735692 621661737 /nfs/dbraw/zinc/66/17/37/621661737.db2.gz GYTCIEMOMLXBQD-RNCFNFMXSA-N 1 1 313.369 3.425 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CCC(F)(F)CC2)c1 ZINC000756783696 621664281 /nfs/dbraw/zinc/66/42/81/621664281.db2.gz HMYFJHGZJUWGBV-JTQLQIEISA-N 1 1 313.344 3.407 20 10 DGCDMO COCC1([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756851782 621668057 /nfs/dbraw/zinc/66/80/57/621668057.db2.gz VEOYNWPPYIVIPE-QMMMGPOBSA-N 1 1 318.186 3.123 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000839637106 621706379 /nfs/dbraw/zinc/70/63/79/621706379.db2.gz VFVNIJGLKBZPPH-VQTJNVASSA-N 1 1 310.441 3.451 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)ccc1N(C)C ZINC000839638307 621706834 /nfs/dbraw/zinc/70/68/34/621706834.db2.gz ZMWCKTOKFRDRGB-UYAOXDASSA-N 1 1 310.441 3.369 20 10 DGCDMO CC(C)OCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000757688407 621733609 /nfs/dbraw/zinc/73/36/09/621733609.db2.gz YXTMBSQVQAVVDI-VIFPVBQESA-N 1 1 320.202 3.369 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c(O)c1 ZINC000757864682 621743744 /nfs/dbraw/zinc/74/37/44/621743744.db2.gz BTCHDWOVSPWHEI-WBVHZDCISA-N 1 1 307.434 3.020 20 10 DGCDMO Fc1cc(C[NH+]2Cc3ccccc3C2)ccc1N1CCOCC1 ZINC000119958796 621755135 /nfs/dbraw/zinc/75/51/35/621755135.db2.gz DZRZVYTYGAKILF-UHFFFAOYSA-N 1 1 312.388 3.178 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000758062593 621756016 /nfs/dbraw/zinc/75/60/16/621756016.db2.gz LSJTVVMBBBWQOZ-SFHVURJKSA-N 1 1 305.418 3.182 20 10 DGCDMO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cc(OC)c(C)cc1O ZINC000758279574 621772765 /nfs/dbraw/zinc/77/27/65/621772765.db2.gz WJRIJMJOLBMBKS-UHFFFAOYSA-N 1 1 323.433 3.263 20 10 DGCDMO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(OC)c(C)cc1O ZINC000758279574 621772767 /nfs/dbraw/zinc/77/27/67/621772767.db2.gz WJRIJMJOLBMBKS-UHFFFAOYSA-N 1 1 323.433 3.263 20 10 DGCDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000789592361 625530700 /nfs/dbraw/zinc/53/07/00/625530700.db2.gz CHJBTWCBGVSAFG-GOSISDBHSA-N 1 1 308.441 3.265 20 10 DGCDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000789587535 625529772 /nfs/dbraw/zinc/52/97/72/625529772.db2.gz YOYKHIJIIGMRQA-ZACQAIPSSA-N 1 1 302.462 3.390 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1O ZINC000761203199 621993667 /nfs/dbraw/zinc/99/36/67/621993667.db2.gz KWYNMPPILHLFIQ-FZMZJTMJSA-N 1 1 311.809 3.055 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)C[C@H]2CCCO2)c1 ZINC000761228789 621996053 /nfs/dbraw/zinc/99/60/53/621996053.db2.gz MGVPTOBCECRSQT-GFCCVEGCSA-N 1 1 314.223 3.074 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C[C@H]2CCCO2)c1 ZINC000761228789 621996055 /nfs/dbraw/zinc/99/60/55/621996055.db2.gz MGVPTOBCECRSQT-GFCCVEGCSA-N 1 1 314.223 3.074 20 10 DGCDMO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000865873739 622013108 /nfs/dbraw/zinc/01/31/08/622013108.db2.gz HNBGHGNLDCAHBQ-ZYHUDNBSSA-N 1 1 316.239 3.102 20 10 DGCDMO Cc1ccnc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)c1 ZINC000120902542 622046259 /nfs/dbraw/zinc/04/62/59/622046259.db2.gz UQQYMSXYGRSDGV-UHFFFAOYSA-N 1 1 317.820 3.071 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1ccc(F)cc1O ZINC000866427308 622116786 /nfs/dbraw/zinc/11/67/86/622116786.db2.gz KAQTZHVDIZMTEK-WFASDCNBSA-N 1 1 311.397 3.361 20 10 DGCDMO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000763646148 622156631 /nfs/dbraw/zinc/15/66/31/622156631.db2.gz JDQUYBFLKUTLNT-QGZVFWFLSA-N 1 1 313.489 3.203 20 10 DGCDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000763646148 622156632 /nfs/dbraw/zinc/15/66/32/622156632.db2.gz JDQUYBFLKUTLNT-QGZVFWFLSA-N 1 1 313.489 3.203 20 10 DGCDMO O=C1O[C@H](C[N@H+](Cc2ccccc2O)C2CCCC2)CC12CC2 ZINC000763693143 622158881 /nfs/dbraw/zinc/15/88/81/622158881.db2.gz ZFHPFBZXESXKOA-INIZCTEOSA-N 1 1 315.413 3.233 20 10 DGCDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868249036 622227971 /nfs/dbraw/zinc/22/79/71/622227971.db2.gz IJHRRSHCKNNHLV-GJZGRUSLSA-N 1 1 319.449 3.017 20 10 DGCDMO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000765142306 622249404 /nfs/dbraw/zinc/24/94/04/622249404.db2.gz ISNISODQUQNFDL-OAHLLOKOSA-N 1 1 321.428 3.184 20 10 DGCDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000122189051 622251965 /nfs/dbraw/zinc/25/19/65/622251965.db2.gz CILOFOQQKJJCII-LLVKDONJSA-N 1 1 303.333 3.453 20 10 DGCDMO Cc1cc(N(C)C)ccc1CNC1CC[NH+](CC(C)C)CC1 ZINC000122659122 622376910 /nfs/dbraw/zinc/37/69/10/622376910.db2.gz ZVVJACCLXZTXER-UHFFFAOYSA-N 1 1 303.494 3.271 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(CO)o2)cc1 ZINC000768208531 622445405 /nfs/dbraw/zinc/44/54/05/622445405.db2.gz RZGONWVKVXLPIQ-UHFFFAOYSA-N 1 1 302.418 3.250 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](C)CCOc1ccccc1F ZINC000768211608 622445733 /nfs/dbraw/zinc/44/57/33/622445733.db2.gz AERFICDDYLSYCV-UHFFFAOYSA-N 1 1 305.349 3.051 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(N(C)C)nc2)C2CC2)cc1 ZINC000768256313 622447720 /nfs/dbraw/zinc/44/77/20/622447720.db2.gz BTTNLXRKNKQFNC-UHFFFAOYSA-N 1 1 324.472 3.378 20 10 DGCDMO CCCC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000768290265 622448765 /nfs/dbraw/zinc/44/87/65/622448765.db2.gz DUMALYMLXJQIHX-UHFFFAOYSA-N 1 1 306.425 3.427 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000768338069 622450961 /nfs/dbraw/zinc/45/09/61/622450961.db2.gz YLGGLWZXDUSPBC-UHFFFAOYSA-N 1 1 316.357 3.331 20 10 DGCDMO CC(C)[N@@H+](Cc1cnc(N)s1)Cc1ccc(N(C)C)cc1 ZINC000768357075 622452109 /nfs/dbraw/zinc/45/21/09/622452109.db2.gz HHBGKGWNWSLRAY-UHFFFAOYSA-N 1 1 304.463 3.202 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCOC[C@H]2Cc2ccccc2)cc1 ZINC000768379381 622453614 /nfs/dbraw/zinc/45/36/14/622453614.db2.gz HBSLILGXHAZPEL-HXUWFJFHSA-N 1 1 310.441 3.196 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000768423338 622455172 /nfs/dbraw/zinc/45/51/72/622455172.db2.gz KKMVUBPTBBJINM-UHFFFAOYSA-N 1 1 324.424 3.225 20 10 DGCDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768438006 622455490 /nfs/dbraw/zinc/45/54/90/622455490.db2.gz NMBBABUKDJJQEV-INIZCTEOSA-N 1 1 319.788 3.103 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)c(O)c1 ZINC000768427509 622455652 /nfs/dbraw/zinc/45/56/52/622455652.db2.gz BYAOVFNFFYNPNU-INIZCTEOSA-N 1 1 302.374 3.424 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)c(O)c1 ZINC000768427509 622455653 /nfs/dbraw/zinc/45/56/53/622455653.db2.gz BYAOVFNFFYNPNU-INIZCTEOSA-N 1 1 302.374 3.424 20 10 DGCDMO CC[N@@H+](CCC(F)(F)F)Cc1cc(OC)c(OC)cc1O ZINC000768444579 622456177 /nfs/dbraw/zinc/45/61/77/622456177.db2.gz MNBYZLIENOUJIZ-UHFFFAOYSA-N 1 1 307.312 3.184 20 10 DGCDMO CC[N@@H+](Cc1ccccc1C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440458 622456388 /nfs/dbraw/zinc/45/63/88/622456388.db2.gz WHXVPGKPBDAFOK-SFHVURJKSA-N 1 1 313.397 3.149 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@]3(CC=CCC3)C1)[C@@H](O)CO2 ZINC000768445664 622457141 /nfs/dbraw/zinc/45/71/41/622457141.db2.gz GKKVGTDVYQQPGM-HKUYNNGSSA-N 1 1 315.413 3.140 20 10 DGCDMO Cc1cc(O)c(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)cc1C ZINC000768460790 622457494 /nfs/dbraw/zinc/45/74/94/622457494.db2.gz PTRCNCFKEFDXKV-UHFFFAOYSA-N 1 1 322.449 3.308 20 10 DGCDMO CC(C)[N@H+]1CCCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768452814 622457522 /nfs/dbraw/zinc/45/75/22/622457522.db2.gz SROUNFYXHANEEU-UHFFFAOYSA-N 1 1 302.462 3.187 20 10 DGCDMO CC(C)N1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768452814 622457523 /nfs/dbraw/zinc/45/75/23/622457523.db2.gz SROUNFYXHANEEU-UHFFFAOYSA-N 1 1 302.462 3.187 20 10 DGCDMO CC(C)N1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768452814 622457526 /nfs/dbraw/zinc/45/75/26/622457526.db2.gz SROUNFYXHANEEU-UHFFFAOYSA-N 1 1 302.462 3.187 20 10 DGCDMO CCOC(=O)C[N@H+](Cc1cc(Cl)cc(C)c1O)C1CCC1 ZINC000768530276 622462315 /nfs/dbraw/zinc/46/23/15/622462315.db2.gz GXXAPNFNQNPVTB-UHFFFAOYSA-N 1 1 311.809 3.272 20 10 DGCDMO CCOC(=O)C[N@@H+](Cc1cc(Cl)cc(C)c1O)C1CCC1 ZINC000768530276 622462316 /nfs/dbraw/zinc/46/23/16/622462316.db2.gz GXXAPNFNQNPVTB-UHFFFAOYSA-N 1 1 311.809 3.272 20 10 DGCDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000768940074 622486948 /nfs/dbraw/zinc/48/69/48/622486948.db2.gz GKQQMSJTNGIZCT-GFCCVEGCSA-N 1 1 305.809 3.159 20 10 DGCDMO Cc1nccc([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000768942396 622487156 /nfs/dbraw/zinc/48/71/56/622487156.db2.gz ZBIXYDMJIMQCTL-QGZVFWFLSA-N 1 1 310.445 3.231 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](CC)CCc2ccccn2)c1 ZINC000769034094 622493997 /nfs/dbraw/zinc/49/39/97/622493997.db2.gz ATYAEZFFMJAATC-UHFFFAOYSA-N 1 1 300.402 3.251 20 10 DGCDMO COc1cccc(O)c1C[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000769107129 622498971 /nfs/dbraw/zinc/49/89/71/622498971.db2.gz UDNLVSKWOBVIRU-LIRRHRJNSA-N 1 1 313.397 3.363 20 10 DGCDMO CCOc1cccc(C[N@H+](C)[C@H]2C[C@H](OCC)C2(C)C)c1O ZINC000769472907 622531493 /nfs/dbraw/zinc/53/14/93/622531493.db2.gz KRVJSMPDFOSTOR-HOTGVXAUSA-N 1 1 307.434 3.426 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)[C@@H](CC)CN1C(C)=O ZINC000769499191 622534672 /nfs/dbraw/zinc/53/46/72/622534672.db2.gz YJOVVNAERUKSDY-ROUUACIJSA-N 1 1 318.461 3.230 20 10 DGCDMO CC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCN1CC(F)F ZINC000769513380 622536764 /nfs/dbraw/zinc/53/67/64/622536764.db2.gz BYKQHVDIOKHZLS-NSHDSACASA-N 1 1 318.795 3.207 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCN1CC(F)F ZINC000769513380 622536767 /nfs/dbraw/zinc/53/67/67/622536767.db2.gz BYKQHVDIOKHZLS-NSHDSACASA-N 1 1 318.795 3.207 20 10 DGCDMO CN(C)c1ccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000769516959 622537520 /nfs/dbraw/zinc/53/75/20/622537520.db2.gz WOLMVMUJHLBELL-KRWDZBQOSA-N 1 1 319.468 3.055 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c(O)c1 ZINC000769516179 622537606 /nfs/dbraw/zinc/53/76/06/622537606.db2.gz ZYWJUCOOQGNRJL-KRWDZBQOSA-N 1 1 319.426 3.426 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c(O)c1 ZINC000769516179 622537609 /nfs/dbraw/zinc/53/76/09/622537609.db2.gz ZYWJUCOOQGNRJL-KRWDZBQOSA-N 1 1 319.426 3.426 20 10 DGCDMO CCC1(CC)[C@H]([N@@H+](C)Cc2cccc(OC)c2O)C[C@@H]1OC ZINC000770353765 622623738 /nfs/dbraw/zinc/62/37/38/622623738.db2.gz ULPQTLAUAJYDLQ-CVEARBPZSA-N 1 1 307.434 3.426 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c(O)c1 ZINC000770374373 622625762 /nfs/dbraw/zinc/62/57/62/622625762.db2.gz MXFJSPUFQPRGLD-HOCLYGCPSA-N 1 1 305.418 3.039 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c(O)c1 ZINC000770374369 622626231 /nfs/dbraw/zinc/62/62/31/622626231.db2.gz MXFJSPUFQPRGLD-GDBMZVCRSA-N 1 1 305.418 3.039 20 10 DGCDMO Oc1ccccc1CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000770509561 622640725 /nfs/dbraw/zinc/64/07/25/622640725.db2.gz OIKTYANHYKDQPR-UHFFFAOYSA-N 1 1 302.462 3.480 20 10 DGCDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1O ZINC000770504531 622640763 /nfs/dbraw/zinc/64/07/63/622640763.db2.gz IJPPRGIEEZUEDH-UKRRQHHQSA-N 1 1 320.433 3.270 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000771935401 622819423 /nfs/dbraw/zinc/81/94/23/622819423.db2.gz REKPQJUSPJEWKX-UHFFFAOYSA-N 1 1 300.402 3.099 20 10 DGCDMO C[N@@H+](Cc1cnc(N)s1)Cc1ccc(N2CCCCC2)cc1 ZINC000771934859 622820088 /nfs/dbraw/zinc/82/00/88/622820088.db2.gz CWIUPNFYVOFNPO-UHFFFAOYSA-N 1 1 316.474 3.348 20 10 DGCDMO CCOCc1cc(CN[C@H]2CC[NH2+]CC(C)(C)C2)ccc1OC ZINC000872251471 622867441 /nfs/dbraw/zinc/86/74/41/622867441.db2.gz JKEYNDCUBUCJMA-KRWDZBQOSA-N 1 1 320.477 3.100 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](C(F)F)CC2)c(Cl)c1 ZINC000872253560 622867909 /nfs/dbraw/zinc/86/79/09/622867909.db2.gz CNSJZYIMHKURFU-CYBMUJFWSA-N 1 1 305.752 3.210 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872259889 622869753 /nfs/dbraw/zinc/86/97/53/622869753.db2.gz CQVZPWVRKXKNPR-OAHLLOKOSA-N 1 1 305.418 3.324 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](OC3CCC3)CC1)OCO2 ZINC000872260932 622871970 /nfs/dbraw/zinc/87/19/70/622871970.db2.gz WRUSOUJIZAJNBX-OAHLLOKOSA-N 1 1 319.401 3.045 20 10 DGCDMO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccco1 ZINC000872633533 622945695 /nfs/dbraw/zinc/94/56/95/622945695.db2.gz KLJRAAYYSONYKX-MRXNPFEDSA-N 1 1 301.342 3.297 20 10 DGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccco1 ZINC000872633533 622945702 /nfs/dbraw/zinc/94/57/02/622945702.db2.gz KLJRAAYYSONYKX-MRXNPFEDSA-N 1 1 301.342 3.297 20 10 DGCDMO CCn1nc(C)c(C[N@@H+](C)Cc2cc(C)cc(OC)c2O)c1C ZINC000872632488 622945799 /nfs/dbraw/zinc/94/57/99/622945799.db2.gz UHBZBJVKXWUGHT-UHFFFAOYSA-N 1 1 317.433 3.174 20 10 DGCDMO CCCOc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1C ZINC000873131278 623044130 /nfs/dbraw/zinc/04/41/30/623044130.db2.gz RCQOTEYFILDDLG-UHFFFAOYSA-N 1 1 316.449 3.489 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CC(=O)OC)cc1 ZINC000773747910 623066014 /nfs/dbraw/zinc/06/60/14/623066014.db2.gz KYRLEMMQRHBVLT-QGZVFWFLSA-N 1 1 304.434 3.060 20 10 DGCDMO Cc1nccnc1[C@@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000873186639 623066733 /nfs/dbraw/zinc/06/67/33/623066733.db2.gz TWQJSNQGAHPXIN-SNVBAGLBSA-N 1 1 322.206 3.104 20 10 DGCDMO CCN(C)c1ccc(C[N@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000773757061 623069068 /nfs/dbraw/zinc/06/90/68/623069068.db2.gz YIFRJURBCFGZNN-APWZRJJASA-N 1 1 303.494 3.447 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000773757061 623069072 /nfs/dbraw/zinc/06/90/72/623069072.db2.gz YIFRJURBCFGZNN-APWZRJJASA-N 1 1 303.494 3.447 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](CC(=O)OC)C2CCCC2)cc1 ZINC000773766619 623070656 /nfs/dbraw/zinc/07/06/56/623070656.db2.gz UDTQMMVTHPEHQC-UHFFFAOYSA-N 1 1 304.434 3.060 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)C2(C(=O)OC)CCCC2)cc1 ZINC000773781290 623072590 /nfs/dbraw/zinc/07/25/90/623072590.db2.gz CHLSRXQTNXZXLT-UHFFFAOYSA-N 1 1 304.434 3.060 20 10 DGCDMO CC[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000774883702 623204959 /nfs/dbraw/zinc/20/49/59/623204959.db2.gz ISBFWLGXDPMZRM-MRXNPFEDSA-N 1 1 308.378 3.321 20 10 DGCDMO CC[C@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000774883702 623204963 /nfs/dbraw/zinc/20/49/63/623204963.db2.gz ISBFWLGXDPMZRM-MRXNPFEDSA-N 1 1 308.378 3.321 20 10 DGCDMO COc1c(O)c(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000774888661 623205739 /nfs/dbraw/zinc/20/57/39/623205739.db2.gz RTOBALZHAQPIEK-BZPMIXESSA-N 1 1 320.389 3.462 20 10 DGCDMO COc1c(O)c(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000774888661 623205741 /nfs/dbraw/zinc/20/57/41/623205741.db2.gz RTOBALZHAQPIEK-BZPMIXESSA-N 1 1 320.389 3.462 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000774942997 623210191 /nfs/dbraw/zinc/21/01/91/623210191.db2.gz SKPHCVIUPOWGTD-GFCCVEGCSA-N 1 1 316.357 3.202 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775060014 623223792 /nfs/dbraw/zinc/22/37/92/623223792.db2.gz 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ZINC000775660242 623307519 /nfs/dbraw/zinc/30/75/19/623307519.db2.gz BAGCJBDZDROWFW-ICSRJNTNSA-N 1 1 313.489 3.203 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000775664376 623308314 /nfs/dbraw/zinc/30/83/14/623308314.db2.gz MVVRFGVEGXLTAX-CQSZACIVSA-N 1 1 320.433 3.142 20 10 DGCDMO CC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)[C@@H](C)C(C)C ZINC000775663386 623308375 /nfs/dbraw/zinc/30/83/75/623308375.db2.gz AELYGXVGXQWWSI-KRWDZBQOSA-N 1 1 303.494 3.305 20 10 DGCDMO CC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)[C@@H](C)C(C)C ZINC000775663386 623308381 /nfs/dbraw/zinc/30/83/81/623308381.db2.gz AELYGXVGXQWWSI-KRWDZBQOSA-N 1 1 303.494 3.305 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C2OCCO2)c1O ZINC000775674635 623311593 /nfs/dbraw/zinc/31/15/93/623311593.db2.gz HAIFBCGESJTVJS-CQSZACIVSA-N 1 1 311.809 3.081 20 10 DGCDMO Oc1c(F)cc(Cl)cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000775676949 623312641 /nfs/dbraw/zinc/31/26/41/623312641.db2.gz CPACXBRTYIKKJO-AWEZNQCLSA-N 1 1 312.816 3.245 20 10 DGCDMO 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20 10 DGCDMO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c(O)c1 ZINC000877639676 623974326 /nfs/dbraw/zinc/97/43/26/623974326.db2.gz OLFUOSRBBDBRLY-YPMHNXCESA-N 1 1 303.324 3.242 20 10 DGCDMO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877672644 623987331 /nfs/dbraw/zinc/98/73/31/623987331.db2.gz JOWUOEWHJZDJLD-DLBZAZTESA-N 1 1 301.361 3.229 20 10 DGCDMO Cc1cc(Br)cc(C[N@H+]2CCCSCC2)c1O ZINC000780893855 623995155 /nfs/dbraw/zinc/99/51/55/623995155.db2.gz UGPNVPHUIVILJE-UHFFFAOYSA-N 1 1 316.264 3.402 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c1O ZINC000877739723 624012000 /nfs/dbraw/zinc/01/20/00/624012000.db2.gz SXVIATAQTJEOOY-JQWIXIFHSA-N 1 1 313.850 3.239 20 10 DGCDMO CC(C)(O)C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000877752174 624020104 /nfs/dbraw/zinc/02/01/04/624020104.db2.gz NVDVWGRRWQXUCY-UHFFFAOYSA-N 1 1 301.789 3.168 20 10 DGCDMO COc1ccccc1[C@H]1C[N@@H+](Cc2c(C)cccc2O)CCO1 ZINC000877756331 624022840 /nfs/dbraw/zinc/02/28/40/624022840.db2.gz 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CC(C)([NH2+]Cc1c(O)ccc(Cl)c1F)C1CCOCC1 ZINC000785611936 624699496 /nfs/dbraw/zinc/69/94/96/624699496.db2.gz UQLJNTHAQIQXPD-UHFFFAOYSA-N 1 1 301.789 3.480 20 10 DGCDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000786578121 624925036 /nfs/dbraw/zinc/92/50/36/624925036.db2.gz HUNXIVUBPUAPET-GLQYFDAESA-N 1 1 323.820 3.128 20 10 DGCDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000786578121 624925043 /nfs/dbraw/zinc/92/50/43/624925043.db2.gz HUNXIVUBPUAPET-GLQYFDAESA-N 1 1 323.820 3.128 20 10 DGCDMO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+](C)Cc1ccccc1O ZINC000128445731 624965137 /nfs/dbraw/zinc/96/51/37/624965137.db2.gz CDANLEYHGFHCKR-CQSZACIVSA-N 1 1 308.385 3.166 20 10 DGCDMO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)Cc1ccccc1O ZINC000128445731 624965141 /nfs/dbraw/zinc/96/51/41/624965141.db2.gz CDANLEYHGFHCKR-CQSZACIVSA-N 1 1 308.385 3.166 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000128515441 624983254 /nfs/dbraw/zinc/98/32/54/624983254.db2.gz FGIAPEZPZMQTDN-UHFFFAOYSA-N 1 1 320.433 3.143 20 10 DGCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)[C@@H]1C ZINC000787245158 624991548 /nfs/dbraw/zinc/99/15/48/624991548.db2.gz ZWOMSXYIKWKIQS-HIFRSBDPSA-N 1 1 305.418 3.207 20 10 DGCDMO CCCN(CCC)c1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000787304316 624998466 /nfs/dbraw/zinc/99/84/66/624998466.db2.gz KFIVOTLEUAPUJJ-KDURUIRLSA-N 1 1 315.505 3.306 20 10 DGCDMO CCCN(CCC)c1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000787304316 624998467 /nfs/dbraw/zinc/99/84/67/624998467.db2.gz KFIVOTLEUAPUJJ-KDURUIRLSA-N 1 1 315.505 3.306 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000787304316 624998468 /nfs/dbraw/zinc/99/84/68/624998468.db2.gz KFIVOTLEUAPUJJ-KDURUIRLSA-N 1 1 315.505 3.306 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000787304316 624998469 /nfs/dbraw/zinc/99/84/69/624998469.db2.gz KFIVOTLEUAPUJJ-KDURUIRLSA-N 1 1 315.505 3.306 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@H+](Cc1cc(C)c(C)cc1O)C1CC1 ZINC000787438579 625011009 /nfs/dbraw/zinc/01/10/09/625011009.db2.gz CMSLZGPBKNWUAJ-MRXNPFEDSA-N 1 1 305.418 3.315 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@@H+](Cc1cc(C)c(C)cc1O)C1CC1 ZINC000787438579 625011013 /nfs/dbraw/zinc/01/10/13/625011013.db2.gz CMSLZGPBKNWUAJ-MRXNPFEDSA-N 1 1 305.418 3.315 20 10 DGCDMO COc1ccc(N(C)C[C@@H]2CCCC[N@H+]2C(C)C)c(OC)c1 ZINC000787732694 625042960 /nfs/dbraw/zinc/04/29/60/625042960.db2.gz ZASLTUATZXJFBT-HNNXBMFYSA-N 1 1 306.450 3.403 20 10 DGCDMO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)c1ccnn1C ZINC000788260117 625108254 /nfs/dbraw/zinc/10/82/54/625108254.db2.gz TXPRAEMNUFDNDA-SWLSCSKDSA-N 1 1 305.397 3.355 20 10 DGCDMO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788590851 625222074 /nfs/dbraw/zinc/22/20/74/625222074.db2.gz HBEZBEANPYSSOV-OUJBWJOFSA-N 1 1 305.340 3.469 20 10 DGCDMO C[C@H](CO)CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788685105 625242857 /nfs/dbraw/zinc/24/28/57/625242857.db2.gz GQCUBBBQKHNXEU-QWRGUYRKSA-N 1 1 305.340 3.470 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cccc(C(F)(F)F)c1O ZINC000788816547 625275827 /nfs/dbraw/zinc/27/58/27/625275827.db2.gz SNTMPQGMKYFDFN-DCAQKATOSA-N 1 1 303.324 3.487 20 10 DGCDMO C[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)N1CCC[C@H](C)C1 ZINC000790948012 625719941 /nfs/dbraw/zinc/71/99/41/625719941.db2.gz CXXROVPITFBOCN-NWDGAFQWSA-N 1 1 314.832 3.395 20 10 DGCDMO C[C@@H]1CCCCN1CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790949746 625720480 /nfs/dbraw/zinc/72/04/80/625720480.db2.gz OMXOUAKFDDLDMB-LLVKDONJSA-N 1 1 300.805 3.149 20 10 DGCDMO CC1CCN(CC[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790950118 625721100 /nfs/dbraw/zinc/72/11/00/625721100.db2.gz UERRGVJFCJUXNW-UHFFFAOYSA-N 1 1 300.805 3.006 20 10 DGCDMO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790962816 625723689 /nfs/dbraw/zinc/72/36/89/625723689.db2.gz TUHHDDMPBHHUBO-GFCCVEGCSA-N 1 1 322.767 3.453 20 10 DGCDMO CCN1CCCC[C@@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790961631 625723877 /nfs/dbraw/zinc/72/38/77/625723877.db2.gz YROXXXSCMICZIP-LLVKDONJSA-N 1 1 300.805 3.149 20 10 DGCDMO CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790963051 625724360 /nfs/dbraw/zinc/72/43/60/625724360.db2.gz XNGNJOVINQNZEL-NSHDSACASA-N 1 1 300.805 3.005 20 10 DGCDMO CN(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1cccc(F)c1 ZINC000882878130 625842395 /nfs/dbraw/zinc/84/23/95/625842395.db2.gz RCTLSZTVSDNVDJ-MRXNPFEDSA-N 1 1 324.346 3.202 20 10 DGCDMO C[N@H+](Cc1cccc(Br)c1O)[C@@H]1CCSC1 ZINC000130576058 625875643 /nfs/dbraw/zinc/87/56/43/625875643.db2.gz CUGRHJMDYNEXOB-SNVBAGLBSA-N 1 1 302.237 3.092 20 10 DGCDMO C[N@@H+](Cc1cccc(Br)c1O)[C@@H]1CCSC1 ZINC000130576058 625875648 /nfs/dbraw/zinc/87/56/48/625875648.db2.gz CUGRHJMDYNEXOB-SNVBAGLBSA-N 1 1 302.237 3.092 20 10 DGCDMO COc1ccc(C2([NH2+]Cc3cc(F)cc(F)c3O)CC2)cc1 ZINC000882990966 625887702 /nfs/dbraw/zinc/88/77/02/625887702.db2.gz HDNRBKURCKXEJB-UHFFFAOYSA-N 1 1 305.324 3.458 20 10 DGCDMO Cn1cc([C@H]([NH2+]Cc2cc(F)cc(F)c2O)C(C)(C)C)cn1 ZINC000883027985 625901951 /nfs/dbraw/zinc/90/19/51/625901951.db2.gz WSAHGMUSLXRVKY-HNNXBMFYSA-N 1 1 309.360 3.281 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000883074701 625917112 /nfs/dbraw/zinc/91/71/12/625917112.db2.gz GMZAGFZVIYEIGY-QGZVFWFLSA-N 1 1 319.351 3.274 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000883078598 625918218 /nfs/dbraw/zinc/91/82/18/625918218.db2.gz WVCPLSHBJCPJEI-BZPMIXESSA-N 1 1 317.426 3.140 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000792173042 625919233 /nfs/dbraw/zinc/91/92/33/625919233.db2.gz QBQPEJFGGMEXQI-NWDGAFQWSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000792173042 625919237 /nfs/dbraw/zinc/91/92/37/625919237.db2.gz QBQPEJFGGMEXQI-NWDGAFQWSA-N 1 1 313.800 3.433 20 10 DGCDMO CC(C)(C)[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1O ZINC000792174128 625919737 /nfs/dbraw/zinc/91/97/37/625919737.db2.gz LRHISUKEEXDZRQ-SMDDNHRTSA-N 1 1 315.816 3.414 20 10 DGCDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1O ZINC000792174128 625919739 /nfs/dbraw/zinc/91/97/39/625919739.db2.gz LRHISUKEEXDZRQ-SMDDNHRTSA-N 1 1 315.816 3.414 20 10 DGCDMO CCOc1cccc(C[N@@H+](CCOC)[C@H]2CC[C@@H](C)C2)c1O ZINC000792192316 625922877 /nfs/dbraw/zinc/92/28/77/625922877.db2.gz HQBYSARVRFZAAN-ZBFHGGJFSA-N 1 1 307.434 3.428 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]([C@H](C)C(=O)OC)C2CCC2)cc1 ZINC000792188968 625923066 /nfs/dbraw/zinc/92/30/66/625923066.db2.gz ZCBPFCHPFGZIDA-OAHLLOKOSA-N 1 1 318.461 3.449 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]([C@H](C)C(=O)OC)C2CCC2)cc1 ZINC000792188968 625923069 /nfs/dbraw/zinc/92/30/69/625923069.db2.gz ZCBPFCHPFGZIDA-OAHLLOKOSA-N 1 1 318.461 3.449 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000883099204 625926459 /nfs/dbraw/zinc/92/64/59/625926459.db2.gz MQKUBTICYUZEFS-AWEZNQCLSA-N 1 1 309.287 3.423 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CSC[C@@H]2C)c1 ZINC000796480962 626054839 /nfs/dbraw/zinc/05/48/39/626054839.db2.gz BOKJBRDRMRXJNF-CABZTGNLSA-N 1 1 316.264 3.304 20 10 DGCDMO CC[C@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(F)cc1O ZINC000796765489 626080184 /nfs/dbraw/zinc/08/01/84/626080184.db2.gz ZQLGCKHQKJRYGE-LBPRGKRZSA-N 1 1 308.319 3.066 20 10 DGCDMO CC[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(F)cc1O ZINC000796781040 626081787 /nfs/dbraw/zinc/08/17/87/626081787.db2.gz UMSNEMUVUNFOBU-CZUORRHYSA-N 1 1 311.397 3.015 20 10 DGCDMO CC[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(F)cc1O ZINC000796841341 626088707 /nfs/dbraw/zinc/08/87/07/626088707.db2.gz SDYRSYRVOVXJRB-IEBWSBKVSA-N 1 1 315.388 3.406 20 10 DGCDMO CCc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000797020622 626105021 /nfs/dbraw/zinc/10/50/21/626105021.db2.gz WEKIMLZBYKITKQ-KPZWWZAWSA-N 1 1 303.377 3.478 20 10 DGCDMO C[C@@H]([NH2+]CCCn1cccn1)c1cccc(C(F)(F)F)c1O ZINC000798181782 626200561 /nfs/dbraw/zinc/20/05/61/626200561.db2.gz ZDYJAXRNLRLFOQ-LLVKDONJSA-N 1 1 313.323 3.348 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)c(O)cc1C ZINC000799579879 626311224 /nfs/dbraw/zinc/31/12/24/626311224.db2.gz KMVXURHICGSKPL-UHFFFAOYSA-N 1 1 315.417 3.255 20 10 DGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2C(C)(C)C)c2c1c(F)ccc2O ZINC000800500073 626364735 /nfs/dbraw/zinc/36/47/35/626364735.db2.gz PPHKPLPTQWVXOE-ZYHUDNBSSA-N 1 1 318.396 3.216 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)cn1 ZINC000801596594 626411243 /nfs/dbraw/zinc/41/12/43/626411243.db2.gz GYMAUQFSIIVYLI-GOSISDBHSA-N 1 1 318.392 3.262 20 10 DGCDMO CCCC[N@@H+](CC(=O)N1CCCC[C@H]1C)Cc1ccccc1O ZINC000801596600 626411384 /nfs/dbraw/zinc/41/13/84/626411384.db2.gz HBBKODSTUHLODI-MRXNPFEDSA-N 1 1 318.461 3.395 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](O)c1ccc(F)cn1 ZINC000801596595 626411473 /nfs/dbraw/zinc/41/14/73/626411473.db2.gz GYMAUQFSIIVYLI-SFHVURJKSA-N 1 1 318.392 3.262 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCC(C)C ZINC000801599220 626411797 /nfs/dbraw/zinc/41/17/97/626411797.db2.gz FZTSOSVEWZWJQV-HNNXBMFYSA-N 1 1 306.450 3.155 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(C)CC(F)(F)C2)c1 ZINC000883256049 626625387 /nfs/dbraw/zinc/62/53/87/626625387.db2.gz MHNGGHKUOYKJEN-JTQLQIEISA-N 1 1 313.344 3.265 20 10 DGCDMO C[C@H](NC1(c2ncccn2)CCC1)c1cc(F)cc(F)c1O ZINC000883312055 626642283 /nfs/dbraw/zinc/64/22/83/626642283.db2.gz SEOUAYOMPMHDQW-JTQLQIEISA-N 1 1 305.328 3.190 20 10 DGCDMO CN(c1ccc(C[NH2+]Cc2cn(C)cn2)cc1)C1CCCCC1 ZINC000808386253 626820054 /nfs/dbraw/zinc/82/00/54/626820054.db2.gz XVIARBXYJPJXDL-UHFFFAOYSA-N 1 1 312.461 3.479 20 10 DGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)c2nnnn2C2CC2)c1O ZINC000808716439 626853395 /nfs/dbraw/zinc/85/33/95/626853395.db2.gz NOLYMJIMNILMQT-VHSXEESVSA-N 1 1 321.812 3.087 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H]([C@@H]3CCCO3)C1)CCCC2 ZINC000884481520 626887985 /nfs/dbraw/zinc/88/79/85/626887985.db2.gz MCLIOJMSGPYJBT-APWZRJJASA-N 1 1 301.430 3.272 20 10 DGCDMO C[N@@H+](CCCO)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809661164 626934010 /nfs/dbraw/zinc/93/40/10/626934010.db2.gz VZXRIPSASKGKMN-UHFFFAOYSA-N 1 1 310.441 3.064 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c1 ZINC000809700559 626938509 /nfs/dbraw/zinc/93/85/09/626938509.db2.gz JCHCAWHNDHMRSM-GOEBONIOSA-N 1 1 307.434 3.306 20 10 DGCDMO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Cl)cc(F)c1O ZINC000809703950 626939521 /nfs/dbraw/zinc/93/95/21/626939521.db2.gz SEIPMMOIBRPFRA-BXUZGUMPSA-N 1 1 312.816 3.243 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(O)c1 ZINC000809758689 626948239 /nfs/dbraw/zinc/94/82/39/626948239.db2.gz TXVYTQMQRBFDGZ-CVEARBPZSA-N 1 1 319.445 3.430 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1F ZINC000809766502 626948731 /nfs/dbraw/zinc/94/87/31/626948731.db2.gz ZHYCBLLMVJZXTL-QAPCUYQASA-N 1 1 321.484 3.444 20 10 DGCDMO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1F ZINC000809766502 626948748 /nfs/dbraw/zinc/94/87/48/626948748.db2.gz ZHYCBLLMVJZXTL-QAPCUYQASA-N 1 1 321.484 3.444 20 10 DGCDMO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1F ZINC000809766502 626948749 /nfs/dbraw/zinc/94/87/49/626948749.db2.gz ZHYCBLLMVJZXTL-QAPCUYQASA-N 1 1 321.484 3.444 20 10 DGCDMO CC(C)[N@H+](Cc1c(O)ccc2ccccc21)C[C@@H]1CCC(=O)N1 ZINC000840187705 626958538 /nfs/dbraw/zinc/95/85/38/626958538.db2.gz WNMTYXCTONPHDF-HNNXBMFYSA-N 1 1 312.413 3.034 20 10 DGCDMO C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1c(O)cccc1F ZINC000886504118 627154230 /nfs/dbraw/zinc/15/42/30/627154230.db2.gz SBYWEMFMQQRSND-GFCCVEGCSA-N 1 1 322.424 3.219 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1c(O)cccc1F ZINC000886511155 627155225 /nfs/dbraw/zinc/15/52/25/627155225.db2.gz KMVXUTSMDLXVRP-TZMCWYRMSA-N 1 1 321.367 3.172 20 10 DGCDMO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1c(O)cccc1F ZINC000886520717 627156351 /nfs/dbraw/zinc/15/63/51/627156351.db2.gz LABAPVGJZYFMQJ-SNVBAGLBSA-N 1 1 320.330 3.209 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886527920 627157389 /nfs/dbraw/zinc/15/73/89/627157389.db2.gz CKVZNDYHOKNKRC-PSVSLLHZSA-N 1 1 307.340 3.443 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1c(O)cccc1F ZINC000886548184 627160728 /nfs/dbraw/zinc/16/07/28/627160728.db2.gz YMKGHYKICXWYNQ-SJCJKPOMSA-N 1 1 301.361 3.496 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1c(O)cccc1F ZINC000886553438 627161845 /nfs/dbraw/zinc/16/18/45/627161845.db2.gz NFSUDLPDIWEGCV-GDZNZVCISA-N 1 1 303.377 3.174 20 10 DGCDMO CC(C)[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)c1ccnn1C ZINC000886599316 627170305 /nfs/dbraw/zinc/17/03/05/627170305.db2.gz WDUVWGNIUVACRC-STQMWFEESA-N 1 1 305.397 3.355 20 10 DGCDMO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886597193 627170541 /nfs/dbraw/zinc/17/05/41/627170541.db2.gz YSLBJUXLKUNKGM-ZFWWWQNUSA-N 1 1 303.377 3.094 20 10 DGCDMO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1c(O)cccc1F ZINC000886601173 627171347 /nfs/dbraw/zinc/17/13/47/627171347.db2.gz LQYCBMATDYOJPJ-QMMMGPOBSA-N 1 1 313.266 3.099 20 10 DGCDMO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1c(O)cccc1F ZINC000886612493 627173442 /nfs/dbraw/zinc/17/34/42/627173442.db2.gz MKSYYHNFDWHMHM-ZUEVXXBESA-N 1 1 315.388 3.348 20 10 DGCDMO CCOCCO[C@H]1CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000138476890 627173957 /nfs/dbraw/zinc/17/39/57/627173957.db2.gz IJCKRRPIFSYFLY-KRWDZBQOSA-N 1 1 321.461 3.451 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1c(O)cccc1F ZINC000886620213 627174815 /nfs/dbraw/zinc/17/48/15/627174815.db2.gz FCRIZDOHRQUSTQ-DXCKQFNASA-N 1 1 316.376 3.497 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886626489 627176141 /nfs/dbraw/zinc/17/61/41/627176141.db2.gz CXFKMKUVARQCMG-AAEUAGOBSA-N 1 1 307.340 3.097 20 10 DGCDMO CC(=O)NCc1ccc(C[NH2+][C@H](C)c2c(O)cccc2F)cc1 ZINC000886634528 627177115 /nfs/dbraw/zinc/17/71/15/627177115.db2.gz GPJVTGSWHGCBTN-GFCCVEGCSA-N 1 1 316.376 3.018 20 10 DGCDMO C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1c(O)cccc1F ZINC000886639733 627178444 /nfs/dbraw/zinc/17/84/44/627178444.db2.gz KPFYQPPHAHASAK-JTQLQIEISA-N 1 1 303.324 3.122 20 10 DGCDMO CC[C@H]([NH2+][C@@H](COC)[C@H]1CCCOC1)c1ccc(F)cc1O ZINC000886789248 627204631 /nfs/dbraw/zinc/20/46/31/627204631.db2.gz QUKONBFQMWHEES-RCBQFDQVSA-N 1 1 311.397 3.014 20 10 DGCDMO CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCOC1)c1ccc(F)cc1O ZINC000886789247 627204665 /nfs/dbraw/zinc/20/46/65/627204665.db2.gz QUKONBFQMWHEES-KCXAZCMYSA-N 1 1 311.397 3.014 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@H]1[C@H]1CCCO1)CCC2 ZINC000811791955 627322766 /nfs/dbraw/zinc/32/27/66/627322766.db2.gz KOKILQUODSREPC-RTBURBONSA-N 1 1 313.441 3.414 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000811792605 627322810 /nfs/dbraw/zinc/32/28/10/627322810.db2.gz PZOIYQDOJFRWNA-YJBOKZPZSA-N 1 1 317.429 3.243 20 10 DGCDMO Cc1ccccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000107797411 627546048 /nfs/dbraw/zinc/54/60/48/627546048.db2.gz JUNBOBRKOAOOHF-UHFFFAOYSA-N 1 1 309.457 3.037 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000814178503 627547344 /nfs/dbraw/zinc/54/73/44/627547344.db2.gz SKQKYFKBJFETDF-IBGZPJMESA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000814178503 627547345 /nfs/dbraw/zinc/54/73/45/627547345.db2.gz SKQKYFKBJFETDF-IBGZPJMESA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000814178503 627547346 /nfs/dbraw/zinc/54/73/46/627547346.db2.gz SKQKYFKBJFETDF-IBGZPJMESA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000814178503 627547347 /nfs/dbraw/zinc/54/73/47/627547347.db2.gz SKQKYFKBJFETDF-IBGZPJMESA-N 1 1 301.478 3.060 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)ccc1N(C)C ZINC000815041850 627618327 /nfs/dbraw/zinc/61/83/27/627618327.db2.gz FHAADFILOYJAFG-GOSISDBHSA-N 1 1 301.478 3.121 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H](N3CCCCC3)C2)ccc1N(C)C ZINC000815041850 627618328 /nfs/dbraw/zinc/61/83/28/627618328.db2.gz FHAADFILOYJAFG-GOSISDBHSA-N 1 1 301.478 3.121 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000815059634 627620708 /nfs/dbraw/zinc/62/07/08/627620708.db2.gz YROVPNPACIJMHZ-MRXNPFEDSA-N 1 1 318.461 3.225 20 10 DGCDMO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815057582 627620781 /nfs/dbraw/zinc/62/07/81/627620781.db2.gz UWKHDVOAGLHFAI-GOSISDBHSA-N 1 1 303.494 3.225 20 10 DGCDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815057582 627620783 /nfs/dbraw/zinc/62/07/83/627620783.db2.gz UWKHDVOAGLHFAI-GOSISDBHSA-N 1 1 303.494 3.225 20 10 DGCDMO Cc1cc(CN2CCC3(CCC[N@H+]3C)CC2)ccc1N(C)C ZINC000815079502 627623841 /nfs/dbraw/zinc/62/38/41/627623841.db2.gz UHMIQYPFQMCYRJ-UHFFFAOYSA-N 1 1 301.478 3.121 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cccc(C(F)(F)F)c1O ZINC000815563996 627685502 /nfs/dbraw/zinc/68/55/02/627685502.db2.gz UPOZNXXKNZXANP-MNOVXSKESA-N 1 1 302.340 3.156 20 10 DGCDMO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc(C(F)(F)F)c1O ZINC000815577974 627686050 /nfs/dbraw/zinc/68/60/50/627686050.db2.gz DYSJEFQHBDEJPU-LKFCYVNXSA-N 1 1 303.324 3.223 20 10 DGCDMO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815572257 627686296 /nfs/dbraw/zinc/68/62/96/627686296.db2.gz YLFYJAMSPZONJC-QWRGUYRKSA-N 1 1 305.340 3.469 20 10 DGCDMO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc(C(F)(F)F)c1O ZINC000815577975 627686344 /nfs/dbraw/zinc/68/63/44/627686344.db2.gz DYSJEFQHBDEJPU-OTYXRUKQSA-N 1 1 303.324 3.223 20 10 DGCDMO CSC[C@@H](CCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815582814 627687917 /nfs/dbraw/zinc/68/79/17/627687917.db2.gz PRTPLFXOPVXKEZ-NXEZZACHSA-N 1 1 323.380 3.176 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc(C(F)(F)F)c1O ZINC000815617373 627690824 /nfs/dbraw/zinc/69/08/24/627690824.db2.gz LYFYOKCYXBNCON-OASPWFOLSA-N 1 1 303.324 3.365 20 10 DGCDMO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1O ZINC000815615704 627691255 /nfs/dbraw/zinc/69/12/55/627691255.db2.gz VLLAQYQHTGLUNV-WDEREUQCSA-N 1 1 303.324 3.488 20 10 DGCDMO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815626250 627692278 /nfs/dbraw/zinc/69/22/78/627692278.db2.gz ZHYBNXQFEMRASP-WDEREUQCSA-N 1 1 305.340 3.326 20 10 DGCDMO COCCOC[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816516379 627800639 /nfs/dbraw/zinc/80/06/39/627800639.db2.gz CXNGSOKNJQPNPK-HNNXBMFYSA-N 1 1 315.413 3.030 20 10 DGCDMO [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000816521119 627801843 /nfs/dbraw/zinc/80/18/43/627801843.db2.gz HQRBEIMHAWYDPV-NWDGAFQWSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000816521119 627801847 /nfs/dbraw/zinc/80/18/47/627801847.db2.gz HQRBEIMHAWYDPV-NWDGAFQWSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000816521119 627801851 /nfs/dbraw/zinc/80/18/51/627801851.db2.gz HQRBEIMHAWYDPV-NWDGAFQWSA-N 1 1 313.800 3.433 20 10 DGCDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816520147 627801899 /nfs/dbraw/zinc/80/18/99/627801899.db2.gz HNFNSTGRROKXOR-GFCCVEGCSA-N 1 1 301.789 3.432 20 10 DGCDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816520147 627801904 /nfs/dbraw/zinc/80/19/04/627801904.db2.gz HNFNSTGRROKXOR-GFCCVEGCSA-N 1 1 301.789 3.432 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1COc2ccccc2C1 ZINC000816541833 627804534 /nfs/dbraw/zinc/80/45/34/627804534.db2.gz VWXDNMFUVCYWCY-GFCCVEGCSA-N 1 1 307.752 3.278 20 10 DGCDMO Cc1ccn2cc(C[NH2+]Cc3cc(Cl)c(F)cc3O)nc2c1 ZINC000816548685 627805884 /nfs/dbraw/zinc/80/58/84/627805884.db2.gz PGHQKMQWQLAFKA-UHFFFAOYSA-N 1 1 319.767 3.431 20 10 DGCDMO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816550442 627806025 /nfs/dbraw/zinc/80/60/25/627806025.db2.gz RCUXXEIFFLTUPY-MEDUHNTESA-N 1 1 323.795 3.439 20 10 DGCDMO OC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816555157 627806653 /nfs/dbraw/zinc/80/66/53/627806653.db2.gz VWYNCYSXDOUKJN-CYBMUJFWSA-N 1 1 309.768 3.050 20 10 DGCDMO CC1(C)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@H]2CCCO[C@@H]21 ZINC000816555144 627806893 /nfs/dbraw/zinc/80/68/93/627806893.db2.gz VJZZNZPZNUWYFT-KMUNFCNLSA-N 1 1 313.800 3.478 20 10 DGCDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc4ccccc4c3O)C2)c1 ZINC000816616155 627815734 /nfs/dbraw/zinc/81/57/34/627815734.db2.gz POBUUBFAAPWSIJ-KRWDZBQOSA-N 1 1 307.397 3.497 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000816624849 627816636 /nfs/dbraw/zinc/81/66/36/627816636.db2.gz JMHQAFLPIJJEBH-OAHLLOKOSA-N 1 1 308.378 3.175 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC(C)(C)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000816624849 627816640 /nfs/dbraw/zinc/81/66/40/627816640.db2.gz JMHQAFLPIJJEBH-OAHLLOKOSA-N 1 1 308.378 3.175 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000816630967 627817524 /nfs/dbraw/zinc/81/75/24/627817524.db2.gz ZDROPKNGNSMHDI-GOSISDBHSA-N 1 1 302.462 3.412 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1F ZINC000816665981 627822302 /nfs/dbraw/zinc/82/23/02/627822302.db2.gz BHWGZONPNIWUKC-ROUUACIJSA-N 1 1 304.409 3.035 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1F ZINC000816665981 627822306 /nfs/dbraw/zinc/82/23/06/627822306.db2.gz BHWGZONPNIWUKC-ROUUACIJSA-N 1 1 304.409 3.035 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)cc1F ZINC000817412344 627895980 /nfs/dbraw/zinc/89/59/80/627895980.db2.gz IYJVKHKKRYYZIH-ZBFHGGJFSA-N 1 1 308.441 3.122 20 10 DGCDMO Cc1ccc2c(c1)CC[C@@H]2NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938556 627966274 /nfs/dbraw/zinc/96/62/74/627966274.db2.gz MZMAICANSUOCOG-PMACEKPBSA-N 1 1 309.457 3.338 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCCc3sccc32)cc1 ZINC000817938750 627967303 /nfs/dbraw/zinc/96/73/03/627967303.db2.gz RHCNELAYAHIGIU-IRXDYDNUSA-N 1 1 315.486 3.481 20 10 DGCDMO Cc1cc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(C)o1 ZINC000817939213 627967863 /nfs/dbraw/zinc/96/78/63/627967863.db2.gz AMMIEAOHFFGXKI-ACJLOTCBSA-N 1 1 301.434 3.313 20 10 DGCDMO Cc1cc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)oc1C ZINC000817941875 627968417 /nfs/dbraw/zinc/96/84/17/627968417.db2.gz LHYQUQDMFGWJEB-DYVFJYSZSA-N 1 1 301.434 3.313 20 10 DGCDMO C[C@H](N[C@@H](C[NH3+])C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817959867 627975531 /nfs/dbraw/zinc/97/55/31/627975531.db2.gz JSBXDQTZNBWJAZ-KXBFYZLASA-N 1 1 301.478 3.455 20 10 DGCDMO C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817960274 627975736 /nfs/dbraw/zinc/97/57/36/627975736.db2.gz LKSYOFCUVNGVBQ-ZDUSSCGKSA-N 1 1 321.421 3.263 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc(Br)ccc1[O-] ZINC000817969935 627978893 /nfs/dbraw/zinc/97/88/93/627978893.db2.gz IIRDXIYOESZZKS-ZMLRMANQSA-N 1 1 313.239 3.075 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817976854 627981415 /nfs/dbraw/zinc/98/14/15/627981415.db2.gz VNDSFDMWXKXKAH-KBMXLJTQSA-N 1 1 323.431 3.167 20 10 DGCDMO C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc(F)cc1O ZINC000926966476 627990781 /nfs/dbraw/zinc/99/07/81/627990781.db2.gz ZXYQHCJTUFVALL-NOZJJQNGSA-N 1 1 308.319 3.065 20 10 DGCDMO C[C@H]([NH2+]Cc1cccc2c1OCC2)c1cc(F)cc(F)c1O ZINC000927089523 628012015 /nfs/dbraw/zinc/01/20/15/628012015.db2.gz CMWOXBHJVGRYHP-JTQLQIEISA-N 1 1 305.324 3.456 20 10 DGCDMO C[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1c(O)cccc1F ZINC000927155881 628028064 /nfs/dbraw/zinc/02/80/64/628028064.db2.gz LYIHXCICMMVEMW-MUKKUYKPSA-N 1 1 315.388 3.275 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c1 ZINC000822515412 628459977 /nfs/dbraw/zinc/45/99/77/628459977.db2.gz ANTDZURROHPHGJ-IBGZPJMESA-N 1 1 315.413 3.130 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c1 ZINC000822515413 628459996 /nfs/dbraw/zinc/45/99/96/628459996.db2.gz ANTDZURROHPHGJ-LJQANCHMSA-N 1 1 315.413 3.130 20 10 DGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@@](C)(O)C2)cc1 ZINC000823476966 628566609 /nfs/dbraw/zinc/56/66/09/628566609.db2.gz FURDMUPEKGGILU-GOSISDBHSA-N 1 1 316.470 3.341 20 10 DGCDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824627616 628678617 /nfs/dbraw/zinc/67/86/17/628678617.db2.gz QOOCMHHPCJRGEZ-HNNXBMFYSA-N 1 1 324.852 3.187 20 10 DGCDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824650473 628680592 /nfs/dbraw/zinc/68/05/92/628680592.db2.gz QJOGJQSJGWVSPV-CYBMUJFWSA-N 1 1 324.852 3.092 20 10 DGCDMO COc1cc(O)c(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1OC ZINC000824702046 628685452 /nfs/dbraw/zinc/68/54/52/628685452.db2.gz HFFFFMJXGOGOMJ-JUIVLLAYSA-N 1 1 315.413 3.053 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O ZINC000824715518 628686233 /nfs/dbraw/zinc/68/62/33/628686233.db2.gz LDGNIECBXXPLRB-ARFHVFGLSA-N 1 1 309.837 3.479 20 10 DGCDMO C[N@@H+](Cc1cc(F)ccc1O)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000824733446 628688170 /nfs/dbraw/zinc/68/81/70/628688170.db2.gz TVZPUVCFPAXGIZ-UHFFFAOYSA-N 1 1 324.396 3.019 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000824769694 628691361 /nfs/dbraw/zinc/69/13/61/628691361.db2.gz XXRCXJJOJYCTHE-WCQYABFASA-N 1 1 323.742 3.242 20 10 DGCDMO COc1cc(C[N@@H+](C)CC2(O)CCCC2)c(O)c(C(C)(C)C)c1 ZINC000824828618 628698218 /nfs/dbraw/zinc/69/82/18/628698218.db2.gz CMWFDIOYDFJLSM-UHFFFAOYSA-N 1 1 321.461 3.435 20 10 DGCDMO OC[C@H]([C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1)C1CC1 ZINC000824845087 628699416 /nfs/dbraw/zinc/69/94/16/628699416.db2.gz HNXBHQFEEQAMJC-BLLLJJGKSA-N 1 1 313.800 3.071 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@](C)(O)C2)c(O)c(C(C)(C)C)c1 ZINC000824849715 628700060 /nfs/dbraw/zinc/70/00/60/628700060.db2.gz HDHLQPSQIUKSEC-SFHVURJKSA-N 1 1 307.434 3.045 20 10 DGCDMO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+](Cc2ccccc2O)C1 ZINC000824976531 628712538 /nfs/dbraw/zinc/71/25/38/628712538.db2.gz BVQQDCLIJLVWDL-QGZVFWFLSA-N 1 1 310.441 3.346 20 10 DGCDMO C[C@H]1CN(Cc2ccccc2O)CC[N@H+](Cc2ccccc2)C1 ZINC000824976531 628712542 /nfs/dbraw/zinc/71/25/42/628712542.db2.gz 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C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(Cl)cc1O ZINC000841756413 630462779 /nfs/dbraw/zinc/46/27/79/630462779.db2.gz XSYCRAPKZVDKLH-CHWSQXEVSA-N 1 1 313.825 3.139 20 10 DGCDMO CO[C@H](CC(C)C)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000842149179 630498846 /nfs/dbraw/zinc/49/88/46/630498846.db2.gz YDENECILUBGHHU-LJQANCHMSA-N 1 1 320.477 3.016 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c1O ZINC000842629115 630556355 /nfs/dbraw/zinc/55/63/55/630556355.db2.gz ZANPKHQKGUWZRC-LJQANCHMSA-N 1 1 315.413 3.049 20 10 DGCDMO C[C@@H]([NH2+][C@H](CCO)c1ccccc1F)c1ccc(F)cc1O ZINC000842924426 630593927 /nfs/dbraw/zinc/59/39/27/630593927.db2.gz QCCJKNVXJQUANG-BDJLRTHQSA-N 1 1 307.340 3.445 20 10 DGCDMO CN(C)c1ccc(/C=C\CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000843044013 630607548 /nfs/dbraw/zinc/60/75/48/630607548.db2.gz FYGKEOANWVZRNV-YXGQRWQYSA-N 1 1 313.489 3.230 20 10 DGCDMO Oc1ccc(Cl)c(F)c1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000843048026 630608105 /nfs/dbraw/zinc/60/81/05/630608105.db2.gz JOJXUOCTUHQDSY-KBPBESRZSA-N 1 1 312.816 3.291 20 10 DGCDMO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1CN ZINC000843052242 630608966 /nfs/dbraw/zinc/60/89/66/630608966.db2.gz QOWSZDOVTZQUCQ-APWZRJJASA-N 1 1 301.478 3.236 20 10 DGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1CN ZINC000843052242 630608970 /nfs/dbraw/zinc/60/89/70/630608970.db2.gz QOWSZDOVTZQUCQ-APWZRJJASA-N 1 1 301.478 3.236 20 10 DGCDMO [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000843107220 630614583 /nfs/dbraw/zinc/61/45/83/630614583.db2.gz CLUGJUBDFNVPNB-UHFFFAOYSA-N 1 1 304.821 3.397 20 10 DGCDMO c1cc(N2CCCCC2)ccc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843123699 630616077 /nfs/dbraw/zinc/61/60/77/630616077.db2.gz NSAXQRWZHXONPF-HXUWFJFHSA-N 1 1 313.489 3.252 20 10 DGCDMO C[C@H]([NH2+]CCCCCC[NH3+])c1ccc(Br)cc1[O-] ZINC000843342097 630647717 /nfs/dbraw/zinc/64/77/17/630647717.db2.gz NINZAPSFJVKXJF-NSHDSACASA-N 1 1 315.255 3.324 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c(O)c1 ZINC000843417081 630654302 /nfs/dbraw/zinc/65/43/02/630654302.db2.gz OWYDAMCQMQWXSM-WBVHZDCISA-N 1 1 305.418 3.182 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000843417991 630654369 /nfs/dbraw/zinc/65/43/69/630654369.db2.gz YJFYDSZGKYXYKD-HKUYNNGSSA-N 1 1 302.462 3.452 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@]3(CCSC3)C2)cc1 ZINC000843418420 630654955 /nfs/dbraw/zinc/65/49/55/630654955.db2.gz SWLXVZVCBSZZTG-GOSISDBHSA-N 1 1 320.502 3.241 20 10 DGCDMO CCOc1ccc(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)c(O)c1 ZINC000843435918 630658969 /nfs/dbraw/zinc/65/89/69/630658969.db2.gz ZQWYVIHWQJUWJK-AWEZNQCLSA-N 1 1 305.418 3.324 20 10 DGCDMO C[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccc(F)cc1O ZINC000846177317 631213526 /nfs/dbraw/zinc/21/35/26/631213526.db2.gz AAKDTNCQUSDXOZ-YJYMSZOUSA-N 1 1 315.388 3.058 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc(F)cc1O ZINC000846202100 631214564 /nfs/dbraw/zinc/21/45/64/631214564.db2.gz UHPSUMMCWPZGME-DWQUBVKVSA-N 1 1 316.376 3.497 20 10 DGCDMO O=C(NCc1cc(Cl)ccc1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000846475234 631250496 /nfs/dbraw/zinc/25/04/96/631250496.db2.gz DRKGAQJLPPAOQJ-OAHLLOKOSA-N 1 1 322.836 3.069 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000848559410 631693137 /nfs/dbraw/zinc/69/31/37/631693137.db2.gz WIOKSPKHWCNLHF-VWPFQQQWSA-N 1 1 324.440 3.070 20 10 DGCDMO CCc1cccc(C[NH2+]Cc2nc(C)c3ccccc3n2)c1O ZINC000848894263 631775699 /nfs/dbraw/zinc/77/56/99/631775699.db2.gz HNSWONHOWWFNJG-UHFFFAOYSA-N 1 1 307.397 3.496 20 10 DGCDMO CCc1cccc(C[NH2+]Cc2csc([C@@H](C)OC)n2)c1O ZINC000848898262 631777762 /nfs/dbraw/zinc/77/77/62/631777762.db2.gz RQKBFTFFAVOBLT-LLVKDONJSA-N 1 1 306.431 3.408 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000848925621 631790097 /nfs/dbraw/zinc/79/00/97/631790097.db2.gz ZGYMMSZUCKPCCA-KRWDZBQOSA-N 1 1 305.418 3.324 20 10 DGCDMO COc1cc(C[NH2+]Cc2cc(C)on2)c(O)c(C(C)(C)C)c1 ZINC000850075714 632049498 /nfs/dbraw/zinc/04/94/98/632049498.db2.gz XXRQORREQCNYFA-UHFFFAOYSA-N 1 1 304.390 3.285 20 10 DGCDMO Cn1c[nH+]c2cc(NCc3ccc(O[C@H]4CCOC4)cc3)ccc21 ZINC000850217672 632083874 /nfs/dbraw/zinc/08/38/74/632083874.db2.gz INEKQEPFJYLDSH-KRWDZBQOSA-N 1 1 323.396 3.353 20 10 DGCDMO COCC1([NH2+]Cc2cccc(Br)c2O)CCCC1 ZINC000850345112 632119880 /nfs/dbraw/zinc/11/98/80/632119880.db2.gz KGWOJAPKSVIALT-UHFFFAOYSA-N 1 1 314.223 3.204 20 10 DGCDMO CCOc1ccc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)c(O)c1 ZINC000850381452 632134092 /nfs/dbraw/zinc/13/40/92/632134092.db2.gz FRENQPSHKAVLLX-INIZCTEOSA-N 1 1 318.461 3.288 20 10 DGCDMO CCOc1ccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)c(O)c1 ZINC000850381452 632134093 /nfs/dbraw/zinc/13/40/93/632134093.db2.gz FRENQPSHKAVLLX-INIZCTEOSA-N 1 1 318.461 3.288 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C(C)(C3CC3)C3CC3)cc2)CC1 ZINC000850399100 632138949 /nfs/dbraw/zinc/13/89/49/632138949.db2.gz VLCILWRAYTUOMO-UHFFFAOYSA-N 1 1 313.489 3.107 20 10 DGCDMO COC[C@@H](CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)OC ZINC000850485375 632167017 /nfs/dbraw/zinc/16/70/17/632167017.db2.gz GOWMLXSDYWSEOU-VHSXEESVSA-N 1 1 322.232 3.401 20 10 DGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ncnc32)c1O ZINC000850499204 632172608 /nfs/dbraw/zinc/17/26/08/632172608.db2.gz LFQTULAYMMKGOZ-NRUUGDAUSA-N 1 1 306.797 3.302 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC2(CSC)CC2)c1 ZINC000850508624 632174254 /nfs/dbraw/zinc/17/42/54/632174254.db2.gz VDFOFJWOSZFQLG-GFCCVEGCSA-N 1 1 323.458 3.363 20 10 DGCDMO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cccc(C(F)(F)F)c1O ZINC000850515416 632176572 /nfs/dbraw/zinc/17/65/72/632176572.db2.gz KUIIDNMLKAZXLM-NXEZZACHSA-N 1 1 303.324 3.223 20 10 DGCDMO CCn1cc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)nn1 ZINC000850522175 632178334 /nfs/dbraw/zinc/17/83/34/632178334.db2.gz GNDHBTKEIYXVGH-OAHLLOKOSA-N 1 1 313.449 3.139 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1cc(F)cc(F)c1O ZINC000850538094 632185871 /nfs/dbraw/zinc/18/58/71/632185871.db2.gz VQNYVEBQBHKXGI-RNCFNFMXSA-N 1 1 323.314 3.464 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc(F)cc1O ZINC000850540057 632187312 /nfs/dbraw/zinc/18/73/12/632187312.db2.gz HVWXUHKFVNJQMK-RVSPLBMKSA-N 1 1 317.408 3.327 20 10 DGCDMO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccccc1 ZINC000850583623 632202241 /nfs/dbraw/zinc/20/22/41/632202241.db2.gz MSGLHRLTGUIBDV-USBNGQNGSA-N 1 1 307.340 3.443 20 10 DGCDMO NC(=O)c1cccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000109797471 632319192 /nfs/dbraw/zinc/31/91/92/632319192.db2.gz AZGDSNSZFKWOFW-UHFFFAOYSA-N 1 1 324.424 3.436 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](CCO[C@@H]2CC2(F)F)C2CC2)cc1 ZINC000851732005 632476699 /nfs/dbraw/zinc/47/66/99/632476699.db2.gz GIXWGZPNZLYUKY-MRXNPFEDSA-N 1 1 310.388 3.141 20 10 DGCDMO Cc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)nc(C)n1 ZINC000851732583 632478130 /nfs/dbraw/zinc/47/81/30/632478130.db2.gz UKUBKJHHISIBTR-UHFFFAOYSA-N 1 1 310.445 3.324 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000851792102 632494025 /nfs/dbraw/zinc/49/40/25/632494025.db2.gz KTMVVQTVYVHIRJ-HYVNUMGLSA-N 1 1 316.445 3.052 20 10 DGCDMO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@H]1CNC(=O)C1 ZINC000851879878 632513809 /nfs/dbraw/zinc/51/38/09/632513809.db2.gz QDBAUNMQBUSBRV-HZPDHXFCSA-N 1 1 324.424 3.092 20 10 DGCDMO Cc1cccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1O ZINC000184788877 660186457 /nfs/dbraw/zinc/18/64/57/660186457.db2.gz MUPLBLAIMAWTAY-IBGZPJMESA-N 1 1 311.425 3.474 20 10 DGCDMO C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000186189705 660335120 /nfs/dbraw/zinc/33/51/20/660335120.db2.gz WWABCROATLMCJR-DIFFPNOSSA-N 1 1 307.340 3.229 20 10 DGCDMO Cc1cn(C)nc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000929294361 660522288 /nfs/dbraw/zinc/52/22/88/660522288.db2.gz CLPGHKWHIIOTEO-UHFFFAOYSA-N 1 1 300.450 3.205 20 10 DGCDMO Cc1csc(C[NH2+]Cc2c(O)cccc2Br)n1 ZINC000706821696 660873836 /nfs/dbraw/zinc/87/38/36/660873836.db2.gz MTCFQEZPRIDKGE-UHFFFAOYSA-N 1 1 313.220 3.209 20 10 DGCDMO CCO[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707145816 660887135 /nfs/dbraw/zinc/88/71/35/660887135.db2.gz HPNQETCYJQMENT-NSHDSACASA-N 1 1 314.223 3.156 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)[C@H](C)C1 ZINC000707145876 660888283 /nfs/dbraw/zinc/88/82/83/660888283.db2.gz JXXXQSSRYVBIEZ-MNOVXSKESA-N 1 1 314.223 3.154 20 10 DGCDMO CO[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC000707151506 660894029 /nfs/dbraw/zinc/89/40/29/660894029.db2.gz DUCNGNLIIMODRT-NSHDSACASA-N 1 1 314.223 3.156 20 10 DGCDMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711479131 660954369 /nfs/dbraw/zinc/95/43/69/660954369.db2.gz XFQALZYRQANLNN-JTQLQIEISA-N 1 1 302.187 3.336 20 10 DGCDMO Oc1c(Br)cccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000711479131 660954372 /nfs/dbraw/zinc/95/43/72/660954372.db2.gz XFQALZYRQANLNN-JTQLQIEISA-N 1 1 302.187 3.336 20 10 DGCDMO C[C@H]1COCCC[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792827827 660987168 /nfs/dbraw/zinc/98/71/68/660987168.db2.gz FKKDRBOKKOSEAD-LBPRGKRZSA-N 1 1 316.367 3.382 20 10 DGCDMO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)on1 ZINC000793044168 661001948 /nfs/dbraw/zinc/00/19/48/661001948.db2.gz FMYHZFWBJUHLSX-UHFFFAOYSA-N 1 1 313.323 3.358 20 10 DGCDMO COc1c(O)c(C[N@H+](CC2CC2)CC2CCC2)ccc1[N+](=O)[O-] ZINC000793390897 661029561 /nfs/dbraw/zinc/02/95/61/661029561.db2.gz UKQMZQTVPJZKHT-UHFFFAOYSA-N 1 1 320.389 3.321 20 10 DGCDMO COc1c(O)c(C[N@@H+](CC2CC2)CC2CCC2)ccc1[N+](=O)[O-] ZINC000793390897 661029563 /nfs/dbraw/zinc/02/95/63/661029563.db2.gz UKQMZQTVPJZKHT-UHFFFAOYSA-N 1 1 320.389 3.321 20 10 DGCDMO CC[N@@H+](Cc1cccc(C)c1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000793604485 661049268 /nfs/dbraw/zinc/04/92/68/661049268.db2.gz LJCRHMHZOBQFMM-UHFFFAOYSA-N 1 1 320.433 3.142 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000793609150 661049425 /nfs/dbraw/zinc/04/94/25/661049425.db2.gz OSHOKYTVYVLGOR-ZDUSSCGKSA-N 1 1 301.789 3.312 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1O ZINC000793778176 661056978 /nfs/dbraw/zinc/05/69/78/661056978.db2.gz BEUNDUWFNMQVLO-CQSZACIVSA-N 1 1 313.397 3.492 20 10 DGCDMO C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000070171694 655604447 /nfs/dbraw/zinc/60/44/47/655604447.db2.gz GFXMCEMVCDTXPZ-ZJUUUORDSA-N 1 1 303.233 3.258 20 10 DGCDMO C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000070171694 655604448 /nfs/dbraw/zinc/60/44/48/655604448.db2.gz GFXMCEMVCDTXPZ-ZJUUUORDSA-N 1 1 303.233 3.258 20 10 DGCDMO C[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000795697250 661168354 /nfs/dbraw/zinc/16/83/54/661168354.db2.gz CAJNXWKHSXNFNK-KXBFYZLASA-N 1 1 314.473 3.330 20 10 DGCDMO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc2c(cc1O)CCCC2 ZINC000795697250 661168355 /nfs/dbraw/zinc/16/83/55/661168355.db2.gz CAJNXWKHSXNFNK-KXBFYZLASA-N 1 1 314.473 3.330 20 10 DGCDMO CCOC1CC2(C1)CC[N@@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000795725823 661169818 /nfs/dbraw/zinc/16/98/18/661169818.db2.gz MRFAKUSUVRCBSM-UHFFFAOYSA-N 1 1 301.430 3.272 20 10 DGCDMO COC[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000307778919 655671560 /nfs/dbraw/zinc/67/15/60/655671560.db2.gz OUJXWSSVBLNNJJ-GFCCVEGCSA-N 1 1 314.223 3.156 20 10 DGCDMO COC[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000307778919 655671561 /nfs/dbraw/zinc/67/15/61/655671561.db2.gz OUJXWSSVBLNNJJ-GFCCVEGCSA-N 1 1 314.223 3.156 20 10 DGCDMO COCCCOCC[N@@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000091026075 655736331 /nfs/dbraw/zinc/73/63/31/655736331.db2.gz VBPRMSLFGVSUIW-UHFFFAOYSA-N 1 1 309.450 3.309 20 10 DGCDMO C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000044534503 655773060 /nfs/dbraw/zinc/77/30/60/655773060.db2.gz CIPVCWMHIVLCSB-SNVBAGLBSA-N 1 1 303.233 3.130 20 10 DGCDMO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccccc1O ZINC000179553346 655908768 /nfs/dbraw/zinc/90/87/68/655908768.db2.gz FPMNNRRXYANDBB-UHFFFAOYSA-N 1 1 316.376 3.380 20 10 DGCDMO COc1cc(Cl)cc(CNC(C)(C)C[NH+]2CCCC2)c1O ZINC000308629155 656061355 /nfs/dbraw/zinc/06/13/55/656061355.db2.gz YYEIVWVAYNMFTH-UHFFFAOYSA-N 1 1 312.841 3.018 20 10 DGCDMO C[C@]1(C[NH2+]Cc2ccccc2O)CC[N@@H+](Cc2ccccc2)C1 ZINC000309702077 656116145 /nfs/dbraw/zinc/11/61/45/656116145.db2.gz GMWKUDZUZGXKLJ-HXUWFJFHSA-N 1 1 310.441 3.394 20 10 DGCDMO C[C@]1(C[NH2+]Cc2ccccc2O)CCN(Cc2ccccc2)C1 ZINC000309702077 656116148 /nfs/dbraw/zinc/11/61/48/656116148.db2.gz GMWKUDZUZGXKLJ-HXUWFJFHSA-N 1 1 310.441 3.394 20 10 DGCDMO CC1(C)CC[C@H](C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)O1 ZINC000184669550 656120678 /nfs/dbraw/zinc/12/06/78/656120678.db2.gz JSVVYAQRKGQHRZ-DLBZAZTESA-N 1 1 319.445 3.331 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(F)cc1O ZINC000186094669 656130172 /nfs/dbraw/zinc/13/01/72/656130172.db2.gz YBUVGPXLCIWQDP-MQJDWESPSA-N 1 1 307.390 3.120 20 10 DGCDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000195196847 656210264 /nfs/dbraw/zinc/21/02/64/656210264.db2.gz TVVPOTKUPNCRPJ-SFHVURJKSA-N 1 1 305.418 3.112 20 10 DGCDMO CCSCC[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093870951 656415637 /nfs/dbraw/zinc/41/56/37/656415637.db2.gz CAMAVNKXZJJEBI-INIZCTEOSA-N 1 1 322.518 3.487 20 10 DGCDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000305251155 657698030 /nfs/dbraw/zinc/69/80/30/657698030.db2.gz KEMMOOLRUYONFP-WFASDCNBSA-N 1 1 307.434 3.131 20 10 DGCDMO CCCCOCC[NH2+]Cc1cccc(Br)c1O ZINC000042412595 658773914 /nfs/dbraw/zinc/77/39/14/658773914.db2.gz RNQALTICDUWOMA-UHFFFAOYSA-N 1 1 302.212 3.061 20 10 DGCDMO Cc1csc(C[NH2+]Cc2cccc(Br)c2O)n1 ZINC000042412577 658774298 /nfs/dbraw/zinc/77/42/98/658774298.db2.gz UUWZOWPSOTUNNG-UHFFFAOYSA-N 1 1 313.220 3.209 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@H](C)[C@@H]3C)c2c1 ZINC000164144671 658919498 /nfs/dbraw/zinc/91/94/98/658919498.db2.gz UEPZTZFAPDKDGX-QWHCGFSZSA-N 1 1 301.386 3.163 20 10 DGCDMO COc1cc(CN2CC[C@H](C[NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000164392142 658930437 /nfs/dbraw/zinc/93/04/37/658930437.db2.gz LOSPKDPJDFBOEZ-CQSZACIVSA-N 1 1 320.477 3.082 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](CCC(N)=O)C2)cc1C(C)C ZINC000170728622 659231533 /nfs/dbraw/zinc/23/15/33/659231533.db2.gz GZRZQQRYIJHYFE-OAHLLOKOSA-N 1 1 318.461 3.302 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)Cc1cc(F)cc2c1OCOC2 ZINC000171925886 659306372 /nfs/dbraw/zinc/30/63/72/659306372.db2.gz LYUNERYIZXZZTR-UHFFFAOYSA-N 1 1 303.333 3.030 20 10 DGCDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)C1 ZINC000173484330 659389516 /nfs/dbraw/zinc/38/95/16/659389516.db2.gz WTDHKUBPKPHWRN-OLZOCXBDSA-N 1 1 309.431 3.227 20 10 DGCDMO COc1ccc(CCC[N@@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC000179797332 659942215 /nfs/dbraw/zinc/94/22/15/659942215.db2.gz BPLSYSIVRHRBGL-UHFFFAOYSA-N 1 1 315.413 3.474 20 10 DGCDMO CCC[N@@H+](CC(=O)N(CC(C)C)C1CC1)Cc1ccccc1O ZINC000068973574 659971048 /nfs/dbraw/zinc/97/10/48/659971048.db2.gz ZJCBBWQHNKXNHJ-UHFFFAOYSA-N 1 1 318.461 3.251 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCOC23CCCC3)c1O ZINC000934394248 661704087 /nfs/dbraw/zinc/70/40/87/661704087.db2.gz FNCSMEOVBZNPBF-OAHLLOKOSA-N 1 1 323.820 3.440 20 10 DGCDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)C2CC2)c1O ZINC000158030332 661869659 /nfs/dbraw/zinc/86/96/59/661869659.db2.gz LUVKIWFGWCDTPW-VIFPVBQESA-N 1 1 314.223 3.394 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)CC2(O)CCCCCC2)c1O ZINC000190140261 662020711 /nfs/dbraw/zinc/02/07/11/662020711.db2.gz JASHLTNCNIOJRW-UHFFFAOYSA-N 1 1 307.434 3.308 20 10 DGCDMO CN(C)c1ccc(C[NH2+]Cc2nccn2-c2ccccc2)cc1 ZINC000190698301 662041236 /nfs/dbraw/zinc/04/12/36/662041236.db2.gz IQDVXXIKXQQDQX-UHFFFAOYSA-N 1 1 306.413 3.228 20 10 DGCDMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)Cc1ccccc1O ZINC000245809135 662242064 /nfs/dbraw/zinc/24/20/64/662242064.db2.gz NQPNQRHRBYQKHV-AIANPOQGSA-N 1 1 318.461 3.153 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000092253909 662329055 /nfs/dbraw/zinc/32/90/55/662329055.db2.gz YBYOAUOXGSWUAM-GOSISDBHSA-N 1 1 303.494 3.306 20 10 DGCDMO CCN(CC)c1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000092253909 662329058 /nfs/dbraw/zinc/32/90/58/662329058.db2.gz YBYOAUOXGSWUAM-GOSISDBHSA-N 1 1 303.494 3.306 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1 ZINC000092253909 662329063 /nfs/dbraw/zinc/32/90/63/662329063.db2.gz YBYOAUOXGSWUAM-GOSISDBHSA-N 1 1 303.494 3.306 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1 ZINC000092253909 662329065 /nfs/dbraw/zinc/32/90/65/662329065.db2.gz YBYOAUOXGSWUAM-GOSISDBHSA-N 1 1 303.494 3.306 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCc3ccc(OC)cc3C2)c1 ZINC000092507733 662332656 /nfs/dbraw/zinc/33/26/56/662332656.db2.gz SMWPVWUIYGMBPM-UHFFFAOYSA-N 1 1 313.397 3.358 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)CCc2ccccc2OC)c1O ZINC000093105184 662344091 /nfs/dbraw/zinc/34/40/91/662344091.db2.gz WFTPMDIWJKNFQB-UHFFFAOYSA-N 1 1 315.413 3.474 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000093282000 662350767 /nfs/dbraw/zinc/35/07/67/662350767.db2.gz NKGAGSHFSXKZOX-OAHLLOKOSA-N 1 1 318.461 3.075 20 10 DGCDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000093360038 662353724 /nfs/dbraw/zinc/35/37/24/662353724.db2.gz XMCZHKVGUFZCJW-CQSZACIVSA-N 1 1 321.465 3.098 20 10 DGCDMO CC[C@@H]([NH2+]Cc1cocn1)c1cc(Br)ccc1O ZINC000397997557 685233873 /nfs/dbraw/zinc/23/38/73/685233873.db2.gz QZEUOUOTHJDEIH-GFCCVEGCSA-N 1 1 311.179 3.384 20 10 DGCDMO C[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C[N@H+]1Cc1ccccc1 ZINC000398187758 685235602 /nfs/dbraw/zinc/23/56/02/685235602.db2.gz YPNLTPUOXPBHOJ-KBXCAEBGSA-N 1 1 324.428 3.053 20 10 DGCDMO C[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C[N@H+]1Cc1ccccc1 ZINC000398187762 685235793 /nfs/dbraw/zinc/23/57/93/685235793.db2.gz YPNLTPUOXPBHOJ-KSSFIOAISA-N 1 1 324.428 3.053 20 10 DGCDMO [NH3+]C[C@@]12C[N@@H+](Cc3c([O-])ccc(Cl)c3F)C[C@@H]1CCCC2 ZINC001580256858 1192016715 /nfs/dbraw/zinc/01/67/15/1192016715.db2.gz YNHAUXUQZFHCCC-ZBEGNZNMSA-N 1 1 312.816 3.136 20 10 DGCDMO C[C@H]1SCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@H]1C ZINC001663888411 1196955168 /nfs/dbraw/zinc/95/51/68/1196955168.db2.gz CTPCTMCGNOINSB-WDEREUQCSA-N 1 1 300.418 3.357 20 10 DGCDMO C[C@H]1SCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)[C@H]1C ZINC001663888411 1196955171 /nfs/dbraw/zinc/95/51/71/1196955171.db2.gz CTPCTMCGNOINSB-WDEREUQCSA-N 1 1 300.418 3.357 20 10 DGCDMO CC(C)c1[nH+]ccn1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001157050434 1178039882 /nfs/dbraw/zinc/03/98/82/1178039882.db2.gz GVDVRGBPHHCSFB-UHFFFAOYSA-N 1 1 323.396 3.182 20 10 DGCDMO COc1ccnc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c1F ZINC001333847085 1178684423 /nfs/dbraw/zinc/68/44/23/1178684423.db2.gz PBQRBWWBCZREDJ-UHFFFAOYSA-N 1 1 315.392 3.119 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(N)cc2)cc1OC ZINC001334754234 1178792045 /nfs/dbraw/zinc/79/20/45/1178792045.db2.gz MMHZZSAXEFNHRK-UHFFFAOYSA-N 1 1 300.402 3.226 20 10 DGCDMO [NH3+][C@@H]1c2ccccc2C[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC001335289163 1178885184 /nfs/dbraw/zinc/88/51/84/1178885184.db2.gz KIZDPHZTQFYZIZ-WOJBJXKFSA-N 1 1 307.441 3.001 20 10 DGCDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001341568766 1179029891 /nfs/dbraw/zinc/02/98/91/1179029891.db2.gz DZWSEOIGNRARKO-ROUUACIJSA-N 1 1 320.502 3.239 20 10 DGCDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001341568764 1179031010 /nfs/dbraw/zinc/03/10/10/1179031010.db2.gz DZWSEOIGNRARKO-MSOLQXFVSA-N 1 1 320.502 3.239 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](O)Cc1ccccc1 ZINC001347709747 1179816446 /nfs/dbraw/zinc/81/64/46/1179816446.db2.gz QDXAACOJERZVKE-OAQYLSRUSA-N 1 1 324.468 3.322 20 10 DGCDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001350594170 1180090429 /nfs/dbraw/zinc/09/04/29/1180090429.db2.gz PVCFBZZAABLGCD-KDURUIRLSA-N 1 1 300.446 3.145 20 10 DGCDMO O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001456307505 1182409965 /nfs/dbraw/zinc/40/99/65/1182409965.db2.gz CVTYZSBWGNFJHE-SFHVURJKSA-N 1 1 324.424 3.179 20 10 DGCDMO C[C@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1ccccc1O ZINC001460638346 1182702347 /nfs/dbraw/zinc/70/23/47/1182702347.db2.gz NBGNVVQSTDARMG-ZDUSSCGKSA-N 1 1 309.369 3.217 20 10 DGCDMO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]1C ZINC001461002475 1182753505 /nfs/dbraw/zinc/75/35/05/1182753505.db2.gz WPPMLXIYQUWLKZ-HLIPFELVSA-N 1 1 315.505 3.353 20 10 DGCDMO CC1(C)CC[C@@H](CO)[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC001653016548 1195680901 /nfs/dbraw/zinc/68/09/01/1195680901.db2.gz BMAJGBZCVIYOHM-JTQLQIEISA-N 1 1 301.789 3.168 20 10 DGCDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC001653016548 1195680903 /nfs/dbraw/zinc/68/09/03/1195680903.db2.gz BMAJGBZCVIYOHM-JTQLQIEISA-N 1 1 301.789 3.168 20 10 DGCDMO COc1ccccc1OCC[N@H+](C)Cc1cc(F)cc(F)c1O ZINC001461978632 1182889746 /nfs/dbraw/zinc/88/97/46/1182889746.db2.gz XNRPIOBMWQBKJP-UHFFFAOYSA-N 1 1 323.339 3.190 20 10 DGCDMO COc1ccccc1OCC[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC001461978632 1182889759 /nfs/dbraw/zinc/88/97/59/1182889759.db2.gz XNRPIOBMWQBKJP-UHFFFAOYSA-N 1 1 323.339 3.190 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001462391396 1182947207 /nfs/dbraw/zinc/94/72/07/1182947207.db2.gz XYMYVKDQSRVVLD-HNNXBMFYSA-N 1 1 305.324 3.324 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001462391396 1182947210 /nfs/dbraw/zinc/94/72/10/1182947210.db2.gz XYMYVKDQSRVVLD-HNNXBMFYSA-N 1 1 305.324 3.324 20 10 DGCDMO C[N@@H+]1CCN(Cc2c(O)ccc(Cl)c2F)CCC1(C)C ZINC001462483023 1182960101 /nfs/dbraw/zinc/96/01/01/1182960101.db2.gz ZMWDMEHSAZIHGI-UHFFFAOYSA-N 1 1 300.805 3.101 20 10 DGCDMO C[N@H+]1CCN(Cc2c(O)ccc(Cl)c2F)CCC1(C)C ZINC001462483023 1182960103 /nfs/dbraw/zinc/96/01/03/1182960103.db2.gz ZMWDMEHSAZIHGI-UHFFFAOYSA-N 1 1 300.805 3.101 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001462521140 1182963335 /nfs/dbraw/zinc/96/33/35/1182963335.db2.gz HWZALVIRWUQRAZ-ZJUUUORDSA-N 1 1 301.814 3.370 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001462521140 1182963340 /nfs/dbraw/zinc/96/33/40/1182963340.db2.gz HWZALVIRWUQRAZ-ZJUUUORDSA-N 1 1 301.814 3.370 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)CCCC(=O)OC(C)(C)C)c(O)c1 ZINC001462635722 1182978841 /nfs/dbraw/zinc/97/88/41/1182978841.db2.gz FPLFPQFLKLNZSS-UHFFFAOYSA-N 1 1 323.433 3.263 20 10 DGCDMO C[N@H+](CC(=O)Nc1ccc(Cl)c(F)c1)Cc1ccccc1O ZINC001473233411 1183733766 /nfs/dbraw/zinc/73/37/66/1183733766.db2.gz MOKBNMJTCGCJPN-UHFFFAOYSA-N 1 1 322.767 3.255 20 10 DGCDMO C[N@@H+](CC(=O)Nc1ccc(Cl)c(F)c1)Cc1ccccc1O ZINC001473233411 1183733776 /nfs/dbraw/zinc/73/37/76/1183733776.db2.gz MOKBNMJTCGCJPN-UHFFFAOYSA-N 1 1 322.767 3.255 20 10 DGCDMO COC[C@@H](C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C ZINC001473262353 1183737303 /nfs/dbraw/zinc/73/73/03/1183737303.db2.gz WSWTUWVQTAUJFO-MSOLQXFVSA-N 1 1 321.461 3.292 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCN(C)C3(CCCCC3)C2)cc1 ZINC001473486919 1183762223 /nfs/dbraw/zinc/76/22/23/1183762223.db2.gz UYOYOBICOYZBJZ-UHFFFAOYSA-N 1 1 301.478 3.203 20 10 DGCDMO CN(C)c1ccc(CN2CC[N@H+](C)C3(CCCCC3)C2)cc1 ZINC001473486919 1183762226 /nfs/dbraw/zinc/76/22/26/1183762226.db2.gz UYOYOBICOYZBJZ-UHFFFAOYSA-N 1 1 301.478 3.203 20 10 DGCDMO CN(C)c1ccc(CN2CC[N@@H+](C)C3(CCCCC3)C2)cc1 ZINC001473486919 1183762228 /nfs/dbraw/zinc/76/22/28/1183762228.db2.gz UYOYOBICOYZBJZ-UHFFFAOYSA-N 1 1 301.478 3.203 20 10 DGCDMO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001474013215 1183849770 /nfs/dbraw/zinc/84/97/70/1183849770.db2.gz DPFPNOOJXKZFGC-HKUYNNGSSA-N 1 1 315.505 3.497 20 10 DGCDMO Cc1c2ccccc2n(C)c1C[NH2+]Cc1nn(C)cc1C(F)F ZINC001474239962 1183888467 /nfs/dbraw/zinc/88/84/67/1183888467.db2.gz NHUJBNJAMDKKPW-UHFFFAOYSA-N 1 1 318.371 3.448 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnn(CC3CCC3)c2)cc1 ZINC001474307359 1183902596 /nfs/dbraw/zinc/90/25/96/1183902596.db2.gz JVGHMPNUQDJSQI-UHFFFAOYSA-N 1 1 312.461 3.381 20 10 DGCDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001474330736 1183904904 /nfs/dbraw/zinc/90/49/04/1183904904.db2.gz FJFWKWFHZSQAIU-HNNXBMFYSA-N 1 1 307.344 3.049 20 10 DGCDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001474330736 1183904905 /nfs/dbraw/zinc/90/49/05/1183904905.db2.gz FJFWKWFHZSQAIU-HNNXBMFYSA-N 1 1 307.344 3.049 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)CC2(O)CCCCCC2)c(O)c1 ZINC001474461920 1183925766 /nfs/dbraw/zinc/92/57/66/1183925766.db2.gz XSIBZNHRNQJNBG-UHFFFAOYSA-N 1 1 307.434 3.226 20 10 DGCDMO CCOC(=O)C[C@H]1CCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001474467414 1183926880 /nfs/dbraw/zinc/92/68/80/1183926880.db2.gz XTRLUXUDUUNZMC-LZCIBIBXSA-N 1 1 316.445 3.183 20 10 DGCDMO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001474498748 1183932118 /nfs/dbraw/zinc/93/21/18/1183932118.db2.gz XHUQCYHLLHPKHA-OAHLLOKOSA-N 1 1 314.832 3.395 20 10 DGCDMO Cc1cc(C[NH+]2CC(O)(C(C)C)C2)ccc1N1CCCCC1 ZINC001617678903 1193577599 /nfs/dbraw/zinc/57/75/99/1193577599.db2.gz FKOSNLSGQBBFAY-UHFFFAOYSA-N 1 1 302.462 3.188 20 10 DGCDMO CCC[N@@H+](C)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001557887225 1189091136 /nfs/dbraw/zinc/09/11/36/1189091136.db2.gz GHJSCBDAGKQBFG-UHFFFAOYSA-N 1 1 313.445 3.052 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nc2ccccc2n1C ZINC001560348918 1189315759 /nfs/dbraw/zinc/31/57/59/1189315759.db2.gz QPCFHCWFUZAZLQ-SNVBAGLBSA-N 1 1 317.339 3.408 20 10 DGCDMO COC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc(F)cc1 ZINC001560355359 1189316684 /nfs/dbraw/zinc/31/66/84/1189316684.db2.gz WXABIEGASYSUFU-OAHLLOKOSA-N 1 1 311.303 3.287 20 10 DGCDMO CCN1CC[C@H]([N@H+](C)Cc2c(C)cc(OC)cc2O)C[C@H]1C ZINC001560636403 1189352264 /nfs/dbraw/zinc/35/22/64/1189352264.db2.gz FNPHRTZWYQRNFJ-CABCVRRESA-N 1 1 306.450 3.014 20 10 DGCDMO CCN1CC[C@H]([N@@H+](C)Cc2c(C)cc(OC)cc2O)C[C@H]1C ZINC001560636403 1189352269 /nfs/dbraw/zinc/35/22/69/1189352269.db2.gz FNPHRTZWYQRNFJ-CABCVRRESA-N 1 1 306.450 3.014 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC001560671116 1189358031 /nfs/dbraw/zinc/35/80/31/1189358031.db2.gz SNIUBYAPODOCQA-LRDDRELGSA-N 1 1 323.339 3.352 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC001560671116 1189358034 /nfs/dbraw/zinc/35/80/34/1189358034.db2.gz SNIUBYAPODOCQA-LRDDRELGSA-N 1 1 323.339 3.352 20 10 DGCDMO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc(F)c(F)cc1O ZINC001560873622 1189397431 /nfs/dbraw/zinc/39/74/31/1189397431.db2.gz VPMQWMNXDNCWOB-UHFFFAOYSA-N 1 1 309.360 3.062 20 10 DGCDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cc(F)c(F)cc1O ZINC001560873622 1189397438 /nfs/dbraw/zinc/39/74/38/1189397438.db2.gz VPMQWMNXDNCWOB-UHFFFAOYSA-N 1 1 309.360 3.062 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC(C)(C)[C@H]3COC[C@H]32)cc1 ZINC001560883117 1189400214 /nfs/dbraw/zinc/40/02/14/1189400214.db2.gz KCNXQAMVDBVMRD-HQYUYXFKSA-N 1 1 300.446 3.123 20 10 DGCDMO COC(=O)[C@@]1(C)CCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001560891524 1189401088 /nfs/dbraw/zinc/40/10/88/1189401088.db2.gz MZKQHGRROMSLRT-WPGJWXSHSA-N 1 1 316.445 3.041 20 10 DGCDMO Cc1ccc(C[N@@H+](C)C[C@H]2CCN2C(=O)OC(C)(C)C)c(O)c1 ZINC001561023943 1189422193 /nfs/dbraw/zinc/42/21/93/1189422193.db2.gz DYNWSNACVVTSOD-OAHLLOKOSA-N 1 1 320.433 3.142 20 10 DGCDMO CC(C)C[C@@H]([NH3+])CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001575631794 1191498259 /nfs/dbraw/zinc/49/82/59/1191498259.db2.gz UTNQNICVAKSQLF-LLVKDONJSA-N 1 1 319.232 3.079 20 10 DGCDMO CCc1cccc(C[N@@H+](C)C2(C(=O)OC)CCCCC2)c1O ZINC001621120717 1193804618 /nfs/dbraw/zinc/80/46/18/1193804618.db2.gz MCKYADNMGLZKHZ-UHFFFAOYSA-N 1 1 305.418 3.262 20 10 DGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c(C)cc(OC)cc2O)C1(C)C ZINC001621122153 1193806141 /nfs/dbraw/zinc/80/61/41/1193806141.db2.gz UCTFKECKKBKKLU-DLBZAZTESA-N 1 1 307.434 3.345 20 10 DGCDMO CC[C@@H]1CC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC001621135149 1193807214 /nfs/dbraw/zinc/80/72/14/1193807214.db2.gz GJUGWQAGYRUXEO-GFCCVEGCSA-N 1 1 318.392 3.336 20 10 DGCDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)c(O)c1 ZINC001621150148 1193809521 /nfs/dbraw/zinc/80/95/21/1193809521.db2.gz IEDAQQWSQFTWLH-UHFFFAOYSA-N 1 1 320.433 3.001 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H]1n1ccnc1 ZINC001621157504 1193809889 /nfs/dbraw/zinc/80/98/89/1193809889.db2.gz MNSKINRTPOPQPJ-WFASDCNBSA-N 1 1 305.809 3.325 20 10 DGCDMO COc1ccccc1C[C@H](C)[NH2+]Cc1cc(F)c(F)cc1O ZINC001621295439 1193827280 /nfs/dbraw/zinc/82/72/80/1193827280.db2.gz IOAXUPUFSNSQSB-NSHDSACASA-N 1 1 307.340 3.400 20 10 DGCDMO C[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001621288470 1193827484 /nfs/dbraw/zinc/82/74/84/1193827484.db2.gz JCUAWQCLYRZCBN-QGZVFWFLSA-N 1 1 322.452 3.470 20 10 DGCDMO C[C@@H]1COCC[N@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001621288470 1193827488 /nfs/dbraw/zinc/82/74/88/1193827488.db2.gz JCUAWQCLYRZCBN-QGZVFWFLSA-N 1 1 322.452 3.470 20 10 DGCDMO CCC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCN(C)C1 ZINC001621407240 1193838751 /nfs/dbraw/zinc/83/87/51/1193838751.db2.gz RYSLBWVCRWDLSL-LIXSYLKWSA-N 1 1 301.478 3.182 20 10 DGCDMO CCCN(C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CC[N@H+](C)C1 ZINC001621407240 1193838754 /nfs/dbraw/zinc/83/87/54/1193838754.db2.gz RYSLBWVCRWDLSL-LIXSYLKWSA-N 1 1 301.478 3.182 20 10 DGCDMO CCCN(C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC001621407240 1193838756 /nfs/dbraw/zinc/83/87/56/1193838756.db2.gz RYSLBWVCRWDLSL-LIXSYLKWSA-N 1 1 301.478 3.182 20 10 DGCDMO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2cc(F)c(F)cc2O)cc1 ZINC001621411041 1193839296 /nfs/dbraw/zinc/83/92/96/1193839296.db2.gz PGVXTAMNYJHCCO-GTNSWQLSSA-N 1 1 307.340 3.191 20 10 DGCDMO COC(=O)C[N@H+](CCC(C)(C)C)Cc1cc(Cl)ccc1O ZINC001642071938 1194886571 /nfs/dbraw/zinc/88/65/71/1194886571.db2.gz MPNLPGAUDVNHRW-UHFFFAOYSA-N 1 1 313.825 3.457 20 10 DGCDMO COC(=O)C[N@@H+](CCC(C)(C)C)Cc1cc(Cl)ccc1O ZINC001642071938 1194886574 /nfs/dbraw/zinc/88/65/74/1194886574.db2.gz MPNLPGAUDVNHRW-UHFFFAOYSA-N 1 1 313.825 3.457 20 10 DGCDMO C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1cc(F)c(F)cc1O ZINC001647042553 1195243829 /nfs/dbraw/zinc/24/38/29/1195243829.db2.gz KETHKRQRQQSYNF-CYBMUJFWSA-N 1 1 320.383 3.281 20 10 DGCDMO COc1ccc(C[NH2+][C@H](CO)c2cc(F)ccc2F)cc1C ZINC001648617863 1195314858 /nfs/dbraw/zinc/31/48/58/1195314858.db2.gz XVUNGGPOYNQUDJ-MRXNPFEDSA-N 1 1 307.340 3.105 20 10 DGCDMO COc1ccc(C)cc1CC[NH2+]Cc1cc(F)cc(F)c1O ZINC001648728204 1195326535 /nfs/dbraw/zinc/32/65/35/1195326535.db2.gz ISPYOOMOYBJVNQ-UHFFFAOYSA-N 1 1 307.340 3.320 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC001651731039 1195502613 /nfs/dbraw/zinc/50/26/13/1195502613.db2.gz MVCPJCVPVBQFSZ-MRXNPFEDSA-N 1 1 305.418 3.243 20 10 DGCDMO CCc1cccc(CN2CC[NH+](CCc3ccccc3)CC2)c1O ZINC001652071659 1195543430 /nfs/dbraw/zinc/54/34/30/1195543430.db2.gz ILTMANLWAJFDCB-UHFFFAOYSA-N 1 1 324.468 3.315 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cnc(F)c(C)c2)cc1 ZINC001652771039 1195649249 /nfs/dbraw/zinc/64/92/49/1195649249.db2.gz TZYLVQHGPWBTIC-UHFFFAOYSA-N 1 1 317.408 3.106 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](C(C)(C)O)C2)cc1 ZINC001653072473 1195686218 /nfs/dbraw/zinc/68/62/18/1195686218.db2.gz HNXMXRAMCHKOFG-XTKXOIQPSA-N 1 1 302.462 3.249 20 10 DGCDMO Cc1cc(C[NH2+][C@H](CO)c2cc(F)ccc2F)ccc1N(C)C ZINC001655092841 1195874978 /nfs/dbraw/zinc/87/49/78/1195874978.db2.gz NKRHGAMPRMKIPH-QGZVFWFLSA-N 1 1 320.383 3.162 20 10 DGCDMO COCCOc1ccccc1CNc1ccc2c(c1)[nH+]cn2C ZINC001655819565 1195966593 /nfs/dbraw/zinc/96/65/93/1195966593.db2.gz BQXMIOXIYQAWDR-UHFFFAOYSA-N 1 1 311.385 3.211 20 10 DGCDMO C[C@@H](CNC/C=C/c1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC001656155874 1196011309 /nfs/dbraw/zinc/01/13/09/1196011309.db2.gz ZNOGZEOHGORRIZ-OZSKJFCKSA-N 1 1 301.478 3.230 20 10 DGCDMO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001656383041 1196034130 /nfs/dbraw/zinc/03/41/30/1196034130.db2.gz QZZFDSUMJOUVME-MRXNPFEDSA-N 1 1 303.494 3.353 20 10 DGCDMO C[C@@H](COc1ccc(F)cc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC001656417820 1196037594 /nfs/dbraw/zinc/03/75/94/1196037594.db2.gz DEYARPMJTURWIU-JTQLQIEISA-N 1 1 311.303 3.367 20 10 DGCDMO Cc1cccc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001656849474 1196075866 /nfs/dbraw/zinc/07/58/66/1196075866.db2.gz BBPMBKPMOHASAZ-UHFFFAOYSA-N 1 1 313.420 3.498 20 10 DGCDMO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001657602962 1196159955 /nfs/dbraw/zinc/15/99/55/1196159955.db2.gz PATPTCQAJURIRE-CLLJXQQHSA-N 1 1 323.820 3.067 20 10 DGCDMO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001657602962 1196159958 /nfs/dbraw/zinc/15/99/58/1196159958.db2.gz PATPTCQAJURIRE-CLLJXQQHSA-N 1 1 323.820 3.067 20 10 DGCDMO CCOC(=O)C[C@H]1CCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001657870397 1196188402 /nfs/dbraw/zinc/18/84/02/1196188402.db2.gz GDTSVAUQHGNQHW-MRXNPFEDSA-N 1 1 305.418 3.433 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)C2CC(OC(C)(C)C)C2)c(O)c1 ZINC001658375014 1196247551 /nfs/dbraw/zinc/24/75/51/1196247551.db2.gz KUZXHPIJGTZSQH-UHFFFAOYSA-N 1 1 307.434 3.487 20 10 DGCDMO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001658550636 1196273693 /nfs/dbraw/zinc/27/36/93/1196273693.db2.gz VDAQJOSZEVGOCX-LBPRGKRZSA-N 1 1 314.832 3.395 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC001658577839 1196275991 /nfs/dbraw/zinc/27/59/91/1196275991.db2.gz RGDORKHJYVDHRM-KRWDZBQOSA-N 1 1 319.445 3.491 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC001658675769 1196287775 /nfs/dbraw/zinc/28/77/75/1196287775.db2.gz OMRUVLHAGQEBEG-WMLDXEAASA-N 1 1 319.351 3.368 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC001658675769 1196287782 /nfs/dbraw/zinc/28/77/82/1196287782.db2.gz OMRUVLHAGQEBEG-WMLDXEAASA-N 1 1 319.351 3.368 20 10 DGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001658695702 1196289203 /nfs/dbraw/zinc/28/92/03/1196289203.db2.gz QGKXSYFUQWKPKY-QFBILLFUSA-N 1 1 312.461 3.112 20 10 DGCDMO COc1cc(C[N@H+](C)C/C=C/c2ccc(N(C)C)cc2)sn1 ZINC001658969504 1196326313 /nfs/dbraw/zinc/32/63/13/1196326313.db2.gz KJCRGDAEWXBALH-AATRIKPKSA-N 1 1 317.458 3.363 20 10 DGCDMO COc1cc(C[N@@H+](C)C/C=C/c2ccc(N(C)C)cc2)sn1 ZINC001658969504 1196326321 /nfs/dbraw/zinc/32/63/21/1196326321.db2.gz KJCRGDAEWXBALH-AATRIKPKSA-N 1 1 317.458 3.363 20 10 DGCDMO CC[N@@H+]1[C@H](C)CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1C ZINC001659228651 1196360937 /nfs/dbraw/zinc/36/09/37/1196360937.db2.gz POVAHLQEXMADHV-TXEJJXNPSA-N 1 1 324.852 3.163 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC001659239275 1196362600 /nfs/dbraw/zinc/36/26/00/1196362600.db2.gz DDXCYCKMCOBLJA-SUMWQHHRSA-N 1 1 320.339 3.075 20 10 DGCDMO Cc1cccc(C[NH+]2CCN(Cc3ccc(C)cc3O)CC2)c1 ZINC001659259660 1196364176 /nfs/dbraw/zinc/36/41/76/1196364176.db2.gz WTNJOZOAFHHPTE-UHFFFAOYSA-N 1 1 310.441 3.327 20 10 DGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC001659290653 1196368059 /nfs/dbraw/zinc/36/80/59/1196368059.db2.gz RVNUFUBQMOOABZ-MRXNPFEDSA-N 1 1 309.356 3.061 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC001659290653 1196368064 /nfs/dbraw/zinc/36/80/64/1196368064.db2.gz RVNUFUBQMOOABZ-MRXNPFEDSA-N 1 1 309.356 3.061 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC001659290653 1196368068 /nfs/dbraw/zinc/36/80/68/1196368068.db2.gz RVNUFUBQMOOABZ-MRXNPFEDSA-N 1 1 309.356 3.061 20 10 DGCDMO C[C@H](O)[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)c1ccccc1F ZINC001659585951 1196397581 /nfs/dbraw/zinc/39/75/81/1196397581.db2.gz FYMDOMFYAUCWPE-XXFAHNHDSA-N 1 1 311.303 3.021 20 10 DGCDMO C[N@@H+](Cc1cc(F)cc(F)c1O)C[C@@H]1OCCc2ccccc21 ZINC001659831373 1196419434 /nfs/dbraw/zinc/41/94/34/1196419434.db2.gz ZRGXQAGSGHHJOW-KRWDZBQOSA-N 1 1 319.351 3.416 20 10 DGCDMO C[N@H+](Cc1cc(F)cc(F)c1O)C[C@@H]1OCCc2ccccc21 ZINC001659831373 1196419437 /nfs/dbraw/zinc/41/94/37/1196419437.db2.gz ZRGXQAGSGHHJOW-KRWDZBQOSA-N 1 1 319.351 3.416 20 10 DGCDMO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3ccc(Cl)cc3O)C2)n1 ZINC001660107622 1196445956 /nfs/dbraw/zinc/44/59/56/1196445956.db2.gz RPURGIBVUTUNLB-GWCFXTLKSA-N 1 1 321.808 3.417 20 10 DGCDMO Cc1csc([C@H]2CC[N@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001660653298 1196509257 /nfs/dbraw/zinc/50/92/57/1196509257.db2.gz NDVXFPITWCZCNY-JTQLQIEISA-N 1 1 310.369 3.425 20 10 DGCDMO Cc1csc([C@H]2CC[N@@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001660653298 1196509260 /nfs/dbraw/zinc/50/92/60/1196509260.db2.gz NDVXFPITWCZCNY-JTQLQIEISA-N 1 1 310.369 3.425 20 10 DGCDMO C[NH+](C)CC1(CNCc2ccc3c(c2)CCCO3)CCCC1 ZINC001662173407 1196690253 /nfs/dbraw/zinc/69/02/53/1196690253.db2.gz JOYYJNCMSYIZIE-UHFFFAOYSA-N 1 1 302.462 3.223 20 10 DGCDMO CN(C)CC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCC1 ZINC001662173407 1196690255 /nfs/dbraw/zinc/69/02/55/1196690255.db2.gz JOYYJNCMSYIZIE-UHFFFAOYSA-N 1 1 302.462 3.223 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]CC3(CC4CC4)CC3)cc2)CC1 ZINC001663165011 1196802545 /nfs/dbraw/zinc/80/25/45/1196802545.db2.gz JPJGYYNNPHNUHP-UHFFFAOYSA-N 1 1 313.489 3.108 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@@H+](CCCO)Cc2ccccn2)c1 ZINC001664600887 1197019933 /nfs/dbraw/zinc/01/99/33/1197019933.db2.gz QCWRWALQIVYMHJ-UHFFFAOYSA-N 1 1 314.429 3.295 20 10 DGCDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001665022646 1197088468 /nfs/dbraw/zinc/08/84/68/1197088468.db2.gz ULYZYVFLMQAGIW-SFHVURJKSA-N 1 1 305.418 3.291 20 10 DGCDMO Cc1cccc2nc(CC[NH2+]Cc3ccc(Cl)cc3O)cn21 ZINC001665173172 1197104910 /nfs/dbraw/zinc/10/49/10/1197104910.db2.gz FHKREVSVMXMPLS-UHFFFAOYSA-N 1 1 315.804 3.334 20 10 DGCDMO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(Cl)cc2O)cn1 ZINC001665269855 1197116977 /nfs/dbraw/zinc/11/69/77/1197116977.db2.gz NJFVNISZZQXTMO-BBRMVZONSA-N 1 1 319.836 3.280 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1F ZINC001665471856 1197141910 /nfs/dbraw/zinc/14/19/10/1197141910.db2.gz YHLXZTHZHYUYCQ-WCQYABFASA-N 1 1 312.429 3.216 20 10 DGCDMO CCC1([NH+]2CCC2)CCN(Cc2c(C)cc(OC)cc2O)CC1 ZINC001665682903 1197171010 /nfs/dbraw/zinc/17/10/10/1197171010.db2.gz LXWCIJNNXDTJCK-UHFFFAOYSA-N 1 1 318.461 3.160 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(O)c1 ZINC000155186087 1202598509 /nfs/dbraw/zinc/59/85/09/1202598509.db2.gz UDRMBPBPQNPJOE-UHFFFAOYSA-N 1 1 300.402 3.099 20 10 DGCDMO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237078317 1099959829 /nfs/dbraw/zinc/95/98/29/1099959829.db2.gz PKKASFPHFNZABD-ZJUUUORDSA-N 1 1 304.217 3.292 20 10 DGCDMO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1c(O)ccc(Cl)c1Cl ZINC001237078317 1099959838 /nfs/dbraw/zinc/95/98/38/1099959838.db2.gz PKKASFPHFNZABD-ZJUUUORDSA-N 1 1 304.217 3.292 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169781637 1081653897 /nfs/dbraw/zinc/65/38/97/1081653897.db2.gz GPTUWUWYZAHRHZ-SFHVURJKSA-N 1 1 324.424 3.129 20 10 DGCDMO COc1ccc(N2CCC[N@H+](C[C@@H](CC(C)C)OC)CC2)cc1 ZINC001167108309 1081705416 /nfs/dbraw/zinc/70/54/16/1081705416.db2.gz ORASONCRQYRTKT-LJQANCHMSA-N 1 1 320.477 3.268 20 10 DGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ncc(F)cc1F ZINC001207103798 1082070783 /nfs/dbraw/zinc/07/07/83/1082070783.db2.gz XIZJHSGUKBGQOT-UHFFFAOYSA-N 1 1 305.372 3.448 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ncc(F)cc1F ZINC001207103798 1082070787 /nfs/dbraw/zinc/07/07/87/1082070787.db2.gz XIZJHSGUKBGQOT-UHFFFAOYSA-N 1 1 305.372 3.448 20 10 DGCDMO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001181112828 1083408256 /nfs/dbraw/zinc/40/82/56/1083408256.db2.gz NJGPASYLOGTPKI-BBRMVZONSA-N 1 1 305.418 3.289 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC001182162012 1083636605 /nfs/dbraw/zinc/63/66/05/1083636605.db2.gz WIZSRUJPGIPKNP-LBPRGKRZSA-N 1 1 322.330 3.178 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2ccc(Cl)cc2)cc(O)c1O ZINC001204345452 1083751138 /nfs/dbraw/zinc/75/11/38/1083751138.db2.gz SJVSMLKQGBGEMV-UHFFFAOYSA-N 1 1 307.777 3.392 20 10 DGCDMO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(F)c(F)cc1O ZINC001182634987 1083761862 /nfs/dbraw/zinc/76/18/62/1083761862.db2.gz VBDVAFHDAICLFS-AWEZNQCLSA-N 1 1 321.323 3.292 20 10 DGCDMO Cc1ccccc1-n1cc(C[NH2+]Cc2c(O)cccc2F)cn1 ZINC001183919979 1084067000 /nfs/dbraw/zinc/06/70/00/1084067000.db2.gz RQPKNGGTJDBIDD-UHFFFAOYSA-N 1 1 311.360 3.315 20 10 DGCDMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@@H](O)c1ccccn1 ZINC001167984572 1085957243 /nfs/dbraw/zinc/95/72/43/1085957243.db2.gz TXCNNZSLIXHWSE-LJQANCHMSA-N 1 1 324.380 3.116 20 10 DGCDMO CC[N@@H+](Cc1ccc(COC(C)=O)o1)Cc1ccccc1O ZINC001141791908 1086436527 /nfs/dbraw/zinc/43/65/27/1086436527.db2.gz IHQBCKJQKYUHKT-UHFFFAOYSA-N 1 1 303.358 3.070 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@H](c3ccccc3OC)C2)c(O)c1 ZINC000093593835 1087141629 /nfs/dbraw/zinc/14/16/29/1087141629.db2.gz GLGWDMMURDGFPJ-AWEZNQCLSA-N 1 1 313.397 3.399 20 10 DGCDMO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(F)c(F)cc1O ZINC001142509079 1087274784 /nfs/dbraw/zinc/27/47/84/1087274784.db2.gz WIZFLSVNHXQZFI-UHFFFAOYSA-N 1 1 321.323 3.074 20 10 DGCDMO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(F)c(F)cc1O ZINC001142509079 1087274790 /nfs/dbraw/zinc/27/47/90/1087274790.db2.gz WIZFLSVNHXQZFI-UHFFFAOYSA-N 1 1 321.323 3.074 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC(c2ccncc2)CC1 ZINC001142520501 1087276141 /nfs/dbraw/zinc/27/61/41/1087276141.db2.gz KUEVOLSHTJYXIX-UHFFFAOYSA-N 1 1 304.340 3.445 20 10 DGCDMO CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142520403 1087276347 /nfs/dbraw/zinc/27/63/47/1087276347.db2.gz IEKAITYQNWVKCE-UHFFFAOYSA-N 1 1 312.404 3.223 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214130 1088709675 /nfs/dbraw/zinc/70/96/75/1088709675.db2.gz QJICGBZQINHIKP-QWHCGFSZSA-N 1 1 303.233 3.401 20 10 DGCDMO CCN(Cc1ccccc1O)c1cc[nH+]c(N2CCCCC2)n1 ZINC001154888642 1088810468 /nfs/dbraw/zinc/81/04/68/1088810468.db2.gz FWYFSESPRGRLDP-UHFFFAOYSA-N 1 1 312.417 3.199 20 10 DGCDMO C[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2O)CC[C@]1(C)O ZINC001236792623 1089863892 /nfs/dbraw/zinc/86/38/92/1089863892.db2.gz GEJONENKFSAQHU-XPTSAGLGSA-N 1 1 304.217 3.292 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CC[C@]1(C)O ZINC001236792623 1089863905 /nfs/dbraw/zinc/86/39/05/1089863905.db2.gz GEJONENKFSAQHU-XPTSAGLGSA-N 1 1 304.217 3.292 20 10 DGCDMO CC1(C)C[N@@H+](Cc2c(O)ccc(F)c2Cl)[C@@](C)(CO)C1 ZINC001237121394 1090286217 /nfs/dbraw/zinc/28/62/17/1090286217.db2.gz MFFFQDJUYXNWRM-OAHLLOKOSA-N 1 1 301.789 3.168 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+](CCO)Cc2cccs2)c1O ZINC001237687764 1090317711 /nfs/dbraw/zinc/31/77/11/1090317711.db2.gz URYBYPWPULHUHO-UHFFFAOYSA-N 1 1 311.834 3.410 20 10 DGCDMO COc1ccc(CC[N@@H+](C)Cc2ccccc2O)cc1OC ZINC001203546900 1090751983 /nfs/dbraw/zinc/75/19/83/1090751983.db2.gz BTFFWNWMFBESCJ-UHFFFAOYSA-N 1 1 301.386 3.084 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CCCN1C(=O)OC(C)(C)C ZINC001203558346 1090755312 /nfs/dbraw/zinc/75/53/12/1090755312.db2.gz GTFZHVMGNWJXNJ-AWEZNQCLSA-N 1 1 320.433 3.224 20 10 DGCDMO Oc1ccccc1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001203556600 1090755988 /nfs/dbraw/zinc/75/59/88/1090755988.db2.gz VENXCHKLVGLCRJ-IEBWSBKVSA-N 1 1 308.425 3.099 20 10 DGCDMO Oc1ccccc1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001203556600 1090755990 /nfs/dbraw/zinc/75/59/90/1090755990.db2.gz VENXCHKLVGLCRJ-IEBWSBKVSA-N 1 1 308.425 3.099 20 10 DGCDMO Oc1ccccc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001203556600 1090755993 /nfs/dbraw/zinc/75/59/93/1090755993.db2.gz VENXCHKLVGLCRJ-IEBWSBKVSA-N 1 1 308.425 3.099 20 10 DGCDMO C[C@@]1(c2ccc(F)cc2)C[N@@H+](Cc2ccccc2O)CCO1 ZINC001203558513 1090756060 /nfs/dbraw/zinc/75/60/60/1090756060.db2.gz LLNPJUBKYMNFOY-SFHVURJKSA-N 1 1 301.361 3.279 20 10 DGCDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]21 ZINC001203584750 1090761332 /nfs/dbraw/zinc/76/13/32/1090761332.db2.gz FCZIBAAXQAJMAT-QMTHXVAHSA-N 1 1 315.244 3.225 20 10 DGCDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(OCC)c1O)C2 ZINC001203608513 1090766688 /nfs/dbraw/zinc/76/66/88/1090766688.db2.gz RUMMHHHNZWBMAO-APWZRJJASA-N 1 1 319.445 3.430 20 10 DGCDMO CCOc1cccc(C[N@@H+](C2CCC2)C2CCOCC2)c1O ZINC001203616998 1090767610 /nfs/dbraw/zinc/76/76/10/1090767610.db2.gz FNUDHIPKTPWOKT-UHFFFAOYSA-N 1 1 305.418 3.324 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)c(O)c1 ZINC001203634582 1090770429 /nfs/dbraw/zinc/77/04/29/1090770429.db2.gz MSFOYTBUYBWTTN-UHFFFAOYSA-N 1 1 323.396 3.219 20 10 DGCDMO C[N@@H+](CCc1cccnc1)Cc1cc(Br)ccc1O ZINC001203645333 1090772945 /nfs/dbraw/zinc/77/29/45/1090772945.db2.gz ATLGAYDGLAKUEN-UHFFFAOYSA-N 1 1 321.218 3.224 20 10 DGCDMO CC(=O)N1CCCC[C@]12CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203657986 1090774558 /nfs/dbraw/zinc/77/45/58/1090774558.db2.gz PMZQUYBJZXRQGT-QGZVFWFLSA-N 1 1 322.836 3.023 20 10 DGCDMO CN(C)c1ccc(C[N@H+](C)CCN(C)Cc2ccccc2)cc1 ZINC001203937554 1090843678 /nfs/dbraw/zinc/84/36/78/1090843678.db2.gz WPVRLVWHNXJTEC-UHFFFAOYSA-N 1 1 311.473 3.316 20 10 DGCDMO CN(C)c1ccc(CN(C)CC[N@H+](C)Cc2ccccc2)cc1 ZINC001203937554 1090843685 /nfs/dbraw/zinc/84/36/85/1090843685.db2.gz WPVRLVWHNXJTEC-UHFFFAOYSA-N 1 1 311.473 3.316 20 10 DGCDMO CN(C)c1ccc(CN(C)CC[N@@H+](C)Cc2ccccc2)cc1 ZINC001203937554 1090843688 /nfs/dbraw/zinc/84/36/88/1090843688.db2.gz WPVRLVWHNXJTEC-UHFFFAOYSA-N 1 1 311.473 3.316 20 10 DGCDMO CCN(CC)c1ccc(C[NH+]2CCC(N3CCC3)CC2)cc1 ZINC001203943748 1090847379 /nfs/dbraw/zinc/84/73/79/1090847379.db2.gz GKISPJOMEUQEQU-UHFFFAOYSA-N 1 1 301.478 3.203 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@H]1O ZINC001204233172 1090930210 /nfs/dbraw/zinc/93/02/10/1090930210.db2.gz OOUSKQAYXXGJEL-MGPUTAFESA-N 1 1 312.457 3.499 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCc3nccn3CC2)c2ccccc21 ZINC001204240272 1090931730 /nfs/dbraw/zinc/93/17/30/1090931730.db2.gz MYXUMWTVWCCQEK-UHFFFAOYSA-N 1 1 320.440 3.161 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)c2ccccc12)CC(C)(C)O ZINC001204240438 1090932506 /nfs/dbraw/zinc/93/25/06/1090932506.db2.gz SVZXMZNNBOBZEW-UHFFFAOYSA-N 1 1 300.446 3.499 20 10 DGCDMO Oc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c(O)c1 ZINC001204275219 1090938204 /nfs/dbraw/zinc/93/82/04/1090938204.db2.gz ZMIUVFFHGKMYTR-LJHODMEESA-N 1 1 317.429 3.125 20 10 DGCDMO c1ccc(O[C@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001204328915 1090950671 /nfs/dbraw/zinc/95/06/71/1090950671.db2.gz TTZIZZAJLQBBQB-IBGZPJMESA-N 1 1 323.440 3.335 20 10 DGCDMO C[C@H]1C[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)CC[C@H]2O1 ZINC001204328697 1090950773 /nfs/dbraw/zinc/95/07/73/1090950773.db2.gz ZWZGKRDPQSNJKE-VDZJLULYSA-N 1 1 300.446 3.286 20 10 DGCDMO COc1cc(Br)cc(C[N@@H+](C)C2CC(C)C2)c1O ZINC001204336771 1090951899 /nfs/dbraw/zinc/95/18/99/1090951899.db2.gz WQXMPNWAHCTISA-UHFFFAOYSA-N 1 1 314.223 3.394 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)cc(O)c1O ZINC001204345742 1090952626 /nfs/dbraw/zinc/95/26/26/1090952626.db2.gz WIVODCPEYPKIDV-OAHLLOKOSA-N 1 1 313.397 3.171 20 10 DGCDMO Cc1[nH+]cc2n1CCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138215502 1091118274 /nfs/dbraw/zinc/11/82/74/1091118274.db2.gz HVIMINPTRDAVNI-UHFFFAOYSA-N 1 1 310.445 3.198 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@]1(C)O ZINC001138215643 1091118860 /nfs/dbraw/zinc/11/88/60/1091118860.db2.gz MNLFLLUJDZJLIO-VQIMIIECSA-N 1 1 302.462 3.270 20 10 DGCDMO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138252388 1091126265 /nfs/dbraw/zinc/12/62/65/1091126265.db2.gz FISHRFFFONNIFO-UKRRQHHQSA-N 1 1 314.429 3.260 20 10 DGCDMO C[C@H]1CCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138336245 1091145026 /nfs/dbraw/zinc/14/50/26/1091145026.db2.gz NCSVTJYVSIVJSY-AWEZNQCLSA-N 1 1 300.446 3.323 20 10 DGCDMO CN1CCCc2cc(C[N@@H+]3CCO[C@H](c4ccccn4)C3)ccc21 ZINC001138356644 1091150278 /nfs/dbraw/zinc/15/02/78/1091150278.db2.gz UIJCZJUFPPTFSI-FQEVSTJZSA-N 1 1 323.440 3.038 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CCO[C@H](c4ccccn4)C3)ccc21 ZINC001138356644 1091150282 /nfs/dbraw/zinc/15/02/82/1091150282.db2.gz UIJCZJUFPPTFSI-FQEVSTJZSA-N 1 1 323.440 3.038 20 10 DGCDMO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc2c(c1)CCCN2C ZINC001138355799 1091150470 /nfs/dbraw/zinc/15/04/70/1091150470.db2.gz DEFABEBBQSEMBI-KSSFIOAISA-N 1 1 318.461 3.089 20 10 DGCDMO CCN(CC)c1ccc(CN2CCC[N@@H+](CC)CC2)c(OC)c1 ZINC001138387355 1091162651 /nfs/dbraw/zinc/16/26/51/1091162651.db2.gz CNRYVGUVYXAPEA-UHFFFAOYSA-N 1 1 319.493 3.069 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@@H]2C(C)C)c(OC)c1 ZINC001138389233 1091162923 /nfs/dbraw/zinc/16/29/23/1091162923.db2.gz GVFNKLSJVYAHDE-GOSISDBHSA-N 1 1 320.477 3.398 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@@H]2C(C)C)c(OC)c1 ZINC001138389233 1091162927 /nfs/dbraw/zinc/16/29/27/1091162927.db2.gz GVFNKLSJVYAHDE-GOSISDBHSA-N 1 1 320.477 3.398 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2(C)COC2)c(OC)c1 ZINC001138389861 1091163895 /nfs/dbraw/zinc/16/38/95/1091163895.db2.gz MYBMNONOTJGJRK-UHFFFAOYSA-N 1 1 306.450 3.010 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C(C)=O)C2)c(OC)c1 ZINC001138390485 1091165905 /nfs/dbraw/zinc/16/59/05/1091165905.db2.gz YQXLAMJWKGTMJR-MRXNPFEDSA-N 1 1 318.461 3.342 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@]3(CCO3)C2)c(OC)c1 ZINC001138390458 1091166058 /nfs/dbraw/zinc/16/60/58/1091166058.db2.gz XSHCPOLLSCZZOR-IBGZPJMESA-N 1 1 318.461 3.296 20 10 DGCDMO Cc1cccc2c1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138496485 1091205327 /nfs/dbraw/zinc/20/53/27/1091205327.db2.gz RGBUUFUJKUZBGD-UHFFFAOYSA-N 1 1 308.425 3.347 20 10 DGCDMO Fc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138499087 1091205775 /nfs/dbraw/zinc/20/57/75/1091205775.db2.gz UYQGILDBPOCKAF-UHFFFAOYSA-N 1 1 312.388 3.178 20 10 DGCDMO Fc1ccc2c(c1)C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138499087 1091205779 /nfs/dbraw/zinc/20/57/79/1091205779.db2.gz UYQGILDBPOCKAF-UHFFFAOYSA-N 1 1 312.388 3.178 20 10 DGCDMO CCCc1noc([C@@H]2CCC[N@H+](Cc3c(O)cccc3F)C2)n1 ZINC001137838456 1091214911 /nfs/dbraw/zinc/21/49/11/1091214911.db2.gz AJKDYEPRGLWRGJ-GFCCVEGCSA-N 1 1 319.380 3.246 20 10 DGCDMO CCCc1noc([C@@H]2CCC[N@@H+](Cc3c(O)cccc3F)C2)n1 ZINC001137838456 1091214915 /nfs/dbraw/zinc/21/49/15/1091214915.db2.gz AJKDYEPRGLWRGJ-GFCCVEGCSA-N 1 1 319.380 3.246 20 10 DGCDMO COCCO[C@@H]1CCC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001205506763 1091236580 /nfs/dbraw/zinc/23/65/80/1091236580.db2.gz GNHQUSYKEUNDTN-QGZVFWFLSA-N 1 1 307.434 3.143 20 10 DGCDMO COc1ccc2c(C[N@H+]3CCc4cccc(O)c4C3)c[nH]c2c1 ZINC001138589642 1091245272 /nfs/dbraw/zinc/24/52/72/1091245272.db2.gz HXLKMOITKWYPJD-UHFFFAOYSA-N 1 1 308.381 3.440 20 10 DGCDMO CCC[C@]1(CO)CCC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001205588683 1091268198 /nfs/dbraw/zinc/26/81/98/1091268198.db2.gz 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CCN(CC)c1ccc(CN[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000315660652 1095123742 /nfs/dbraw/zinc/12/37/42/1095123742.db2.gz ORKFZQBRQRXGKO-KRWDZBQOSA-N 1 1 303.494 3.497 20 10 DGCDMO C[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1ccc(F)cc1O ZINC000316334599 1095169531 /nfs/dbraw/zinc/16/95/31/1095169531.db2.gz CEVZFRPJCBYEIY-MLGOLLRUSA-N 1 1 305.397 3.493 20 10 DGCDMO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116655631 1095627813 /nfs/dbraw/zinc/62/78/13/1095627813.db2.gz VBVZRQLDFXKFDE-MAUKXSAKSA-N 1 1 316.445 3.060 20 10 DGCDMO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116655631 1095627815 /nfs/dbraw/zinc/62/78/15/1095627815.db2.gz VBVZRQLDFXKFDE-MAUKXSAKSA-N 1 1 316.445 3.060 20 10 DGCDMO Oc1ccc(Br)cc1CNc1cccn2cc[nH+]c12 ZINC001171175299 1095646115 /nfs/dbraw/zinc/64/61/15/1095646115.db2.gz JGVHFNOJDQLTQT-UHFFFAOYSA-N 1 1 318.174 3.415 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)cc1F ZINC001116843019 1095678476 /nfs/dbraw/zinc/67/84/76/1095678476.db2.gz QGVRBPFQCHGSMO-SFHVURJKSA-N 1 1 306.425 3.019 20 10 DGCDMO Oc1cccc2c1C[N@H+](Cc1cccnc1C(F)(F)F)CC2 ZINC001144538910 1095704830 /nfs/dbraw/zinc/70/48/30/1095704830.db2.gz VQUKXQBSXTXESF-UHFFFAOYSA-N 1 1 308.303 3.364 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1cccnc1C(F)(F)F)CC2 ZINC001144538910 1095704837 /nfs/dbraw/zinc/70/48/37/1095704837.db2.gz VQUKXQBSXTXESF-UHFFFAOYSA-N 1 1 308.303 3.364 20 10 DGCDMO CN1CC[N@H+](Cc2c(O)cccc2F)C[C@@H]1c1ccccc1 ZINC001137837714 1095757748 /nfs/dbraw/zinc/75/77/48/1095757748.db2.gz RQCAPKTZZJZDDE-QGZVFWFLSA-N 1 1 300.377 3.020 20 10 DGCDMO CN1CC[N@@H+](Cc2c(O)cccc2F)C[C@@H]1c1ccccc1 ZINC001137837714 1095757760 /nfs/dbraw/zinc/75/77/60/1095757760.db2.gz RQCAPKTZZJZDDE-QGZVFWFLSA-N 1 1 300.377 3.020 20 10 DGCDMO C[C@H]1CN(Cc2c(O)cccc2F)CC[N@H+]1C1CCCCC1 ZINC001137841371 1095759723 /nfs/dbraw/zinc/75/97/23/1095759723.db2.gz BWSWHXFNKJCTGI-AWEZNQCLSA-N 1 1 306.425 3.370 20 10 DGCDMO [O-]c1c(F)cccc1C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001138125527 1095893833 /nfs/dbraw/zinc/89/38/33/1095893833.db2.gz RNYXSEMMPXEICD-UHFFFAOYSA-N 1 1 318.436 3.372 20 10 DGCDMO [O-]c1c(F)cccc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001138127661 1095900127 /nfs/dbraw/zinc/90/01/27/1095900127.db2.gz KFFBTKCEFBOXDD-MRXNPFEDSA-N 1 1 306.425 3.372 20 10 DGCDMO [O-]c1c(F)cccc1C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001138127437 1095900415 /nfs/dbraw/zinc/90/04/15/1095900415.db2.gz BPLCYLOGLKWVBM-HNNXBMFYSA-N 1 1 305.324 3.324 20 10 DGCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001138127437 1095900421 /nfs/dbraw/zinc/90/04/21/1095900421.db2.gz BPLCYLOGLKWVBM-HNNXBMFYSA-N 1 1 305.324 3.324 20 10 DGCDMO Oc1c(F)cccc1C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001138127437 1095900430 /nfs/dbraw/zinc/90/04/30/1095900430.db2.gz BPLCYLOGLKWVBM-HNNXBMFYSA-N 1 1 305.324 3.324 20 10 DGCDMO [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001138127438 1095900615 /nfs/dbraw/zinc/90/06/15/1095900615.db2.gz BPLCYLOGLKWVBM-OAHLLOKOSA-N 1 1 305.324 3.324 20 10 DGCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001138127438 1095900622 /nfs/dbraw/zinc/90/06/22/1095900622.db2.gz BPLCYLOGLKWVBM-OAHLLOKOSA-N 1 1 305.324 3.324 20 10 DGCDMO Oc1c(F)cccc1C[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001138127438 1095900627 /nfs/dbraw/zinc/90/06/27/1095900627.db2.gz BPLCYLOGLKWVBM-OAHLLOKOSA-N 1 1 305.324 3.324 20 10 DGCDMO [O-]c1c(F)cccc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001138127660 1095901637 /nfs/dbraw/zinc/90/16/37/1095901637.db2.gz KFFBTKCEFBOXDD-INIZCTEOSA-N 1 1 306.425 3.372 20 10 DGCDMO C[C@H]1CN(Cc2cccc(F)c2O)CC[N@H+]1C1CCCCC1 ZINC001138132978 1095902532 /nfs/dbraw/zinc/90/25/32/1095902532.db2.gz YYTLSAVAJJMGPE-AWEZNQCLSA-N 1 1 306.425 3.370 20 10 DGCDMO Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138131374 1095903123 /nfs/dbraw/zinc/90/31/23/1095903123.db2.gz YEQRIPPTSIJGQS-OAHLLOKOSA-N 1 1 316.376 3.278 20 10 DGCDMO Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138131374 1095903129 /nfs/dbraw/zinc/90/31/29/1095903129.db2.gz YEQRIPPTSIJGQS-OAHLLOKOSA-N 1 1 316.376 3.278 20 10 DGCDMO CC(C)(C)CC(=O)NC1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138131382 1095903244 /nfs/dbraw/zinc/90/32/44/1095903244.db2.gz YMDOMIMFLFKIOX-UHFFFAOYSA-N 1 1 322.424 3.048 20 10 DGCDMO [NH3+]Cc1ccc(CNCc2ccc(N3CCCC3)cc2)c(F)c1 ZINC001118294315 1095976795 /nfs/dbraw/zinc/97/67/95/1095976795.db2.gz BIFTWBIHQULUDD-UHFFFAOYSA-N 1 1 313.420 3.174 20 10 DGCDMO Cn1cc(C(F)F)c(C[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC001118927680 1096106944 /nfs/dbraw/zinc/10/69/44/1096106944.db2.gz BMDPXDATCHLICQ-UHFFFAOYSA-N 1 1 320.387 3.248 20 10 DGCDMO C[NH+]1C(C)(C)CC(NCc2ccc3c(c2)CCO3)CC1(C)C ZINC001171621051 1096936237 /nfs/dbraw/zinc/93/62/37/1096936237.db2.gz HEKIFJSNDMDBGX-UHFFFAOYSA-N 1 1 302.462 3.363 20 10 DGCDMO CN(C)c1ccc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)cc1 ZINC001227939527 1097017019 /nfs/dbraw/zinc/01/70/19/1097017019.db2.gz YBZGKMXJQOQNOJ-SFHVURJKSA-N 1 1 307.397 3.450 20 10 DGCDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2cccc(O)c2C1 ZINC001173233306 1097377792 /nfs/dbraw/zinc/37/77/92/1097377792.db2.gz VGMGGVVKVMUTQE-CYBMUJFWSA-N 1 1 312.369 3.290 20 10 DGCDMO CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001173662079 1097485245 /nfs/dbraw/zinc/48/52/45/1097485245.db2.gz VAYVPJRNHOMKHK-FUHWJXTLSA-N 1 1 318.461 3.306 20 10 DGCDMO Cc1cc(F)cc(CN2CC3(C2)CC[N@H+](C2CCCC2)C3)c1O ZINC001277519924 1097751525 /nfs/dbraw/zinc/75/15/25/1097751525.db2.gz QWQYXIGFPROGIK-UHFFFAOYSA-N 1 1 318.436 3.290 20 10 DGCDMO COc1ccc(Br)c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c1O ZINC001231555999 1097779226 /nfs/dbraw/zinc/77/92/26/1097779226.db2.gz WZFGWRHWJBCHMN-SKDRFNHKSA-N 1 1 312.207 3.148 20 10 DGCDMO COc1ccc(Br)c(C[N@@H+](C)C(C)(C)C)c1O ZINC001231553161 1097779619 /nfs/dbraw/zinc/77/96/19/1097779619.db2.gz SAYXMVSTSNFMCT-UHFFFAOYSA-N 1 1 302.212 3.394 20 10 DGCDMO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1c(O)ccc2ccccc21 ZINC001231587244 1097785327 /nfs/dbraw/zinc/78/53/27/1097785327.db2.gz RQFQIKUBYHKFOZ-KUHUBIRLSA-N 1 1 311.381 3.073 20 10 DGCDMO OC[C@@]1(F)CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231586468 1097786223 /nfs/dbraw/zinc/78/62/23/1097786223.db2.gz IHIYLSYVBHKQEI-GOSISDBHSA-N 1 1 303.377 3.232 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCN(Cc3ccccc3)C[C@@H]2C)c1O ZINC001231593155 1097787334 /nfs/dbraw/zinc/78/73/34/1097787334.db2.gz PYBXPEJPOMUVMA-KRWDZBQOSA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1cccc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1O ZINC001231593155 1097787343 /nfs/dbraw/zinc/78/73/43/1097787343.db2.gz PYBXPEJPOMUVMA-KRWDZBQOSA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1cccc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1O ZINC001231593155 1097787349 /nfs/dbraw/zinc/78/73/49/1097787349.db2.gz PYBXPEJPOMUVMA-KRWDZBQOSA-N 1 1 310.441 3.407 20 10 DGCDMO COc1ccccc1O[C@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC001231593421 1097787521 /nfs/dbraw/zinc/78/75/21/1097787521.db2.gz XMDBHLKFDKIAAC-INIZCTEOSA-N 1 1 313.397 3.363 20 10 DGCDMO Cc1cccc(C[N@H+]2CCN3CCc4ccccc4[C@@H]3C2)c1O ZINC001231593484 1097787569 /nfs/dbraw/zinc/78/75/69/1097787569.db2.gz IGYPEMMVLFZACM-IBGZPJMESA-N 1 1 308.425 3.116 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCN(C(=O)c3ccccc3)C[C@H]2C)c1O ZINC001231594923 1097788645 /nfs/dbraw/zinc/78/86/45/1097788645.db2.gz NPCHZVGYDYKALT-MRXNPFEDSA-N 1 1 324.424 3.047 20 10 DGCDMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccccc2OC)c(O)cc1O ZINC001231637710 1097798966 /nfs/dbraw/zinc/79/89/66/1097798966.db2.gz QTLXNBKIEQOBMZ-LBPRGKRZSA-N 1 1 317.385 3.308 20 10 DGCDMO Cc1cc(C)c(C[N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001231841248 1097860249 /nfs/dbraw/zinc/86/02/49/1097860249.db2.gz ABBDVLYJMAUPGI-HNNXBMFYSA-N 1 1 317.351 3.288 20 10 DGCDMO Cc1cc(C)c(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c(O)c1 ZINC001231842230 1097860996 /nfs/dbraw/zinc/86/09/96/1097860996.db2.gz LBNVHXZJDDEWHP-LJQANCHMSA-N 1 1 310.441 3.498 20 10 DGCDMO Cc1cc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c(O)c1 ZINC001231845656 1097861465 /nfs/dbraw/zinc/86/14/65/1097861465.db2.gz FCXLFXXUBVRBGB-OALUTQOASA-N 1 1 322.452 3.468 20 10 DGCDMO COc1cc(N(C)C)ccc1C[N@@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001231849420 1097863881 /nfs/dbraw/zinc/86/38/81/1097863881.db2.gz SHHORWAWUOCLGQ-SJORKVTESA-N 1 1 316.445 3.095 20 10 DGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001231849420 1097863889 /nfs/dbraw/zinc/86/38/89/1097863889.db2.gz SHHORWAWUOCLGQ-SJORKVTESA-N 1 1 316.445 3.095 20 10 DGCDMO Cc1cc(C)c(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)c(O)c1 ZINC001231848680 1097864274 /nfs/dbraw/zinc/86/42/74/1097864274.db2.gz JIEJSKLHUHHFAA-UHFFFAOYSA-N 1 1 318.461 3.089 20 10 DGCDMO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)cc1Cl ZINC001231871455 1097871187 /nfs/dbraw/zinc/87/11/87/1097871187.db2.gz KYQLNVDAGVNZNR-CYBMUJFWSA-N 1 1 311.809 3.081 20 10 DGCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)[C@@H]1C ZINC001231870616 1097871812 /nfs/dbraw/zinc/87/18/12/1097871812.db2.gz MBFOOMYMVWPGJU-YPMHNXCESA-N 1 1 311.809 3.128 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2c2cnccn2)cc1Cl ZINC001231870462 1097872349 /nfs/dbraw/zinc/87/23/49/1097872349.db2.gz CIGUIXIFYIKHIM-OAHLLOKOSA-N 1 1 303.793 3.481 20 10 DGCDMO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001231871149 1097872771 /nfs/dbraw/zinc/87/27/71/1097872771.db2.gz ZXDBZCUYVGWCET-HNNXBMFYSA-N 1 1 324.852 3.235 20 10 DGCDMO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001231871149 1097872779 /nfs/dbraw/zinc/87/27/79/1097872779.db2.gz ZXDBZCUYVGWCET-HNNXBMFYSA-N 1 1 324.852 3.235 20 10 DGCDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC001231883727 1097878912 /nfs/dbraw/zinc/87/89/12/1097878912.db2.gz NTKPUOAYEYKUDH-OAHLLOKOSA-N 1 1 313.397 3.321 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1Cl ZINC001232264072 1097985957 /nfs/dbraw/zinc/98/59/57/1097985957.db2.gz DUERTRKFVMRDDB-GFCCVEGCSA-N 1 1 318.804 3.439 20 10 DGCDMO COc1cc(O)c(CN2CCC([N@@H+](C)C3CC3)CC2)cc1Cl ZINC001232269175 1097988053 /nfs/dbraw/zinc/98/80/53/1097988053.db2.gz SISYQYCSINDGRF-UHFFFAOYSA-N 1 1 324.852 3.113 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(C)n1 ZINC001232314155 1098001556 /nfs/dbraw/zinc/00/15/56/1098001556.db2.gz LYNRNTVREOQAFD-UHFFFAOYSA-N 1 1 313.445 3.487 20 10 DGCDMO CSc1cc(C)c(C[N@H+]2CCc3cccc(O)c3C2)cn1 ZINC001232350112 1098011335 /nfs/dbraw/zinc/01/13/35/1098011335.db2.gz OMBGCLCUJRARBJ-UHFFFAOYSA-N 1 1 300.427 3.376 20 10 DGCDMO COC(=O)c1c(C[N@H+](C)C2CC(F)(F)C2)c2ccccc2n1C ZINC001232402970 1098028753 /nfs/dbraw/zinc/02/87/53/1098028753.db2.gz SXLKVEMBHZJRJQ-UHFFFAOYSA-N 1 1 322.355 3.194 20 10 DGCDMO COC(=O)c1c(C[N@@H+](C)C2CC(F)(F)C2)c2ccccc2n1C ZINC001232402970 1098028761 /nfs/dbraw/zinc/02/87/61/1098028761.db2.gz SXLKVEMBHZJRJQ-UHFFFAOYSA-N 1 1 322.355 3.194 20 10 DGCDMO COC(=O)c1c(C[N@@H+]2CCCC[C@H](F)C2)c2ccccc2n1C ZINC001232403057 1098029364 /nfs/dbraw/zinc/02/93/64/1098029364.db2.gz UDOSBNDZRWWTPY-ZDUSSCGKSA-N 1 1 318.392 3.289 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CCCC[C@H](F)C2)c2ccccc2n1C ZINC001232403057 1098029369 /nfs/dbraw/zinc/02/93/69/1098029369.db2.gz UDOSBNDZRWWTPY-ZDUSSCGKSA-N 1 1 318.392 3.289 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CCC[C@@H](F)CC2)c2ccccc2n1C ZINC001232403132 1098029435 /nfs/dbraw/zinc/02/94/35/1098029435.db2.gz URXIORFVRUJZDF-CYBMUJFWSA-N 1 1 318.392 3.289 20 10 DGCDMO CC[C@@H]1CC[N@@H+](Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001232411001 1098030066 /nfs/dbraw/zinc/03/00/66/1098030066.db2.gz XRJCDAHMCNOQCU-CYBMUJFWSA-N 1 1 300.402 3.197 20 10 DGCDMO C[N@@H+](Cc1ccc(CCO)cc1)Cc1ccc(N2CCCC2)cc1 ZINC001232776743 1098131785 /nfs/dbraw/zinc/13/17/85/1098131785.db2.gz FXRXXXJLTJXYJA-UHFFFAOYSA-N 1 1 324.468 3.454 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c(O)c1 ZINC001232833601 1098148211 /nfs/dbraw/zinc/14/82/11/1098148211.db2.gz BHIPABVNOKGHAU-AWEZNQCLSA-N 1 1 302.340 3.027 20 10 DGCDMO CCCCCCN1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232839687 1098149253 /nfs/dbraw/zinc/14/92/53/1098149253.db2.gz TXQBQTBKDPVFNL-UHFFFAOYSA-N 1 1 319.493 3.156 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)CCC(=O)c2ccccc2)c(O)c1 ZINC001232840101 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CCOc1cccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1O ZINC000289356174 131377950 /nfs/dbraw/zinc/37/79/50/131377950.db2.gz JUWBVCLCQYYRDD-HNNXBMFYSA-N 1 1 301.390 3.241 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)cc1 ZINC000298707822 132074974 /nfs/dbraw/zinc/07/49/74/132074974.db2.gz JKHXJJDTQOJTBA-UHFFFAOYSA-N 1 1 323.440 3.016 20 10 DGCDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000093360737 400242616 /nfs/dbraw/zinc/24/26/16/400242616.db2.gz QZNOKCZCGOQHLR-KRWDZBQOSA-N 1 1 324.424 3.017 20 10 DGCDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(C)c(C)cc2O)cc1 ZINC000093415462 400246364 /nfs/dbraw/zinc/24/63/64/400246364.db2.gz HCOKZZMAFAKCNA-SFHVURJKSA-N 1 1 315.413 3.183 20 10 DGCDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000182090165 228367029 /nfs/dbraw/zinc/36/70/29/228367029.db2.gz KRFNRGDKDVQHRG-ZDUSSCGKSA-N 1 1 319.836 3.234 20 10 DGCDMO Oc1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000289243201 275061695 /nfs/dbraw/zinc/06/16/95/275061695.db2.gz DTZSPRUOOBQYOT-CEXWTWQISA-N 1 1 309.409 3.397 20 10 DGCDMO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)Cc1ccccc1O ZINC000109768884 431177662 /nfs/dbraw/zinc/17/76/62/431177662.db2.gz OWLZNQHWEPTISD-HNNXBMFYSA-N 1 1 324.424 3.192 20 10 DGCDMO Cc1cc(C(=O)C[N@@H+](C)Cc2ccccc2O)c(C)n1C1CC1 ZINC000109771303 431178111 /nfs/dbraw/zinc/17/81/11/431178111.db2.gz RFGDUGIWVDTILZ-UHFFFAOYSA-N 1 1 312.413 3.460 20 10 DGCDMO Cc1cc(C(=O)C[N@H+](C)Cc2ccccc2O)c(C)n1C1CC1 ZINC000109771303 431178119 /nfs/dbraw/zinc/17/81/19/431178119.db2.gz RFGDUGIWVDTILZ-UHFFFAOYSA-N 1 1 312.413 3.460 20 10 DGCDMO CCc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109772913 431178559 /nfs/dbraw/zinc/17/85/59/431178559.db2.gz GIKAIJKIGVFJSK-UHFFFAOYSA-N 1 1 312.413 3.334 20 10 DGCDMO CCc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109772913 431178566 /nfs/dbraw/zinc/17/85/66/431178566.db2.gz GIKAIJKIGVFJSK-UHFFFAOYSA-N 1 1 312.413 3.334 20 10 DGCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000101905969 431990093 /nfs/dbraw/zinc/99/00/93/431990093.db2.gz GQHCNWKIOYNRRB-INIZCTEOSA-N 1 1 318.461 3.137 20 10 DGCDMO COCCOC[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000173390819 432275516 /nfs/dbraw/zinc/27/55/16/432275516.db2.gz ZWKAMWXZHVFJKD-HNNXBMFYSA-N 1 1 315.413 3.030 20 10 DGCDMO Cc1cccc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000183381134 432288136 /nfs/dbraw/zinc/28/81/36/432288136.db2.gz RQPHAEZRQQGDLV-HNNXBMFYSA-N 1 1 322.412 3.474 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192049425 432328026 /nfs/dbraw/zinc/32/80/26/432328026.db2.gz LJXBPTJSVGCWLH-HNNXBMFYSA-N 1 1 303.402 3.090 20 10 DGCDMO COc1cc(O)c(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1OC ZINC000271099393 432329953 /nfs/dbraw/zinc/32/99/53/432329953.db2.gz OMNXALROBUVLCO-UHFFFAOYSA-N 1 1 317.307 3.104 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000271140746 432337062 /nfs/dbraw/zinc/33/70/62/432337062.db2.gz OWRVKVDXEFDKSE-UHFFFAOYSA-N 1 1 323.849 3.214 20 10 DGCDMO CN(C)C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000271177721 432345646 /nfs/dbraw/zinc/34/56/46/432345646.db2.gz KSSSFMUQZYDWEB-INIZCTEOSA-N 1 1 310.441 3.443 20 10 DGCDMO CN(C)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000271177721 432345650 /nfs/dbraw/zinc/34/56/50/432345650.db2.gz KSSSFMUQZYDWEB-INIZCTEOSA-N 1 1 310.441 3.443 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCC3(CCOCC3)C2)c1O ZINC000271190805 432347926 /nfs/dbraw/zinc/34/79/26/432347926.db2.gz OZZXFCKSAXBPTR-UHFFFAOYSA-N 1 1 305.418 3.184 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cc(Cl)c(Cl)cc1O ZINC000192650633 432397152 /nfs/dbraw/zinc/39/71/52/432397152.db2.gz APWVOUJQMONQJU-PELKAZGASA-N 1 1 317.216 3.018 20 10 DGCDMO CCOCc1cc(C[NH2+][C@H](CCO)c2ccco2)ccc1OC ZINC000184500111 432397632 /nfs/dbraw/zinc/39/76/32/432397632.db2.gz CWGRBTAOONYQEI-MRXNPFEDSA-N 1 1 319.401 3.038 20 10 DGCDMO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192933483 432430146 /nfs/dbraw/zinc/43/01/46/432430146.db2.gz PEBPHFNYIUOLCV-SFHVURJKSA-N 1 1 310.441 3.312 20 10 DGCDMO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(Cl)c(Cl)cc1O ZINC000192927455 432430178 /nfs/dbraw/zinc/43/01/78/432430178.db2.gz MNBXYAFRWKAIPN-SDBXPKJASA-N 1 1 322.257 3.218 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000184972786 432450829 /nfs/dbraw/zinc/45/08/29/432450829.db2.gz CQPGXPNMJANHNZ-CQSZACIVSA-N 1 1 306.450 3.172 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(F)cc1O ZINC000184973223 432451272 /nfs/dbraw/zinc/45/12/72/432451272.db2.gz OQLXNUQSWQXFPP-CYBMUJFWSA-N 1 1 315.392 3.377 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000184997658 432453510 /nfs/dbraw/zinc/45/35/10/432453510.db2.gz VMYULVXJILNGIL-CABCVRRESA-N 1 1 314.473 3.406 20 10 DGCDMO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ncc(C)s2)c1O ZINC000185011415 432455669 /nfs/dbraw/zinc/45/56/69/432455669.db2.gz KNHCSWWHYWUXIS-VIFPVBQESA-N 1 1 308.378 3.350 20 10 DGCDMO C[C@H](NCc1nc(C2CC2)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273520632 432606518 /nfs/dbraw/zinc/60/65/18/432606518.db2.gz UGOVYPGMDUVHMY-VIFPVBQESA-N 1 1 319.386 3.485 20 10 DGCDMO Cc1cc(Br)cc([C@H](C)[NH2+]CCCN(C)C)c1O ZINC000186913408 432637131 /nfs/dbraw/zinc/63/71/31/432637131.db2.gz ZRSDTFJRLLLZSD-NSHDSACASA-N 1 1 315.255 3.065 20 10 DGCDMO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000227689469 432714295 /nfs/dbraw/zinc/71/42/95/432714295.db2.gz OZIQXJSTGMAOHJ-MNOVXSKESA-N 1 1 312.385 3.095 20 10 DGCDMO Cc1ccc([C@H](C)[NH2+]Cc2ncc(C(F)(F)F)cn2)c(O)c1 ZINC000296602412 432924160 /nfs/dbraw/zinc/92/41/60/432924160.db2.gz VSTDMPHZEQURNO-JTQLQIEISA-N 1 1 311.307 3.360 20 10 DGCDMO COC1CCN(c2ccc(C[N@H+]3CCS[C@H](C)C3)cc2)CC1 ZINC000296963778 432943965 /nfs/dbraw/zinc/94/39/65/432943965.db2.gz CUACXWHRBZVMPX-OAHLLOKOSA-N 1 1 320.502 3.239 20 10 DGCDMO COC[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)OC ZINC000278643746 432897845 /nfs/dbraw/zinc/89/78/45/432897845.db2.gz HQCOQQPMYJLEDF-IUCAKERBSA-N 1 1 308.205 3.011 20 10 DGCDMO COc1c(O)c(C[NH2+][C@H]2CCCc3occc32)ccc1[N+](=O)[O-] ZINC000278616867 432898131 /nfs/dbraw/zinc/89/81/31/432898131.db2.gz FMAAJQKUCCNTNY-LBPRGKRZSA-N 1 1 318.329 3.069 20 10 DGCDMO CC(C)[N@H+](Cc1ccccc1O)C[C@H](O)COc1ccccc1 ZINC000278801920 432903124 /nfs/dbraw/zinc/90/31/24/432903124.db2.gz XSHYQJJRLPGMMT-KRWDZBQOSA-N 1 1 315.413 3.043 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1O ZINC000296402556 432904406 /nfs/dbraw/zinc/90/44/06/432904406.db2.gz UUSDDFDLEDMGQK-DAXOMENPSA-N 1 1 323.820 3.151 20 10 DGCDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)cc1 ZINC000296421196 432905691 /nfs/dbraw/zinc/90/56/91/432905691.db2.gz LIZWKEOIUPEBSE-ZDUSSCGKSA-N 1 1 301.438 3.235 20 10 DGCDMO CCC[N@@H+](CCc1ccccn1)Cc1cccc(OC)c1O ZINC000289707138 432972830 /nfs/dbraw/zinc/97/28/30/432972830.db2.gz GLNFXWUCBFBGFB-UHFFFAOYSA-N 1 1 300.402 3.251 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cn(C(C)C)nn2)cc1F ZINC000289804504 432974684 /nfs/dbraw/zinc/97/46/84/432974684.db2.gz RQDYNLJJKNTTCR-UHFFFAOYSA-N 1 1 319.428 3.134 20 10 DGCDMO CN(C)c1ccc(C[N@H+](C)Cc2cnccn2)c(C(F)(F)F)c1 ZINC000279635363 432988963 /nfs/dbraw/zinc/98/89/63/432988963.db2.gz LILKPQKRHNZWGK-UHFFFAOYSA-N 1 1 324.350 3.193 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnccn2)c(C(F)(F)F)c1 ZINC000279635363 432988967 /nfs/dbraw/zinc/98/89/67/432988967.db2.gz LILKPQKRHNZWGK-UHFFFAOYSA-N 1 1 324.350 3.193 20 10 DGCDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000290375722 433040501 /nfs/dbraw/zinc/04/05/01/433040501.db2.gz HUUZFJUPHUVNAW-OAHLLOKOSA-N 1 1 316.401 3.388 20 10 DGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(F)ncc1F ZINC000291469700 433246594 /nfs/dbraw/zinc/24/65/94/433246594.db2.gz OXIHKPDFOYKDKG-UHFFFAOYSA-N 1 1 305.372 3.448 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(F)ncc1F ZINC000291469700 433246598 /nfs/dbraw/zinc/24/65/98/433246598.db2.gz OXIHKPDFOYKDKG-UHFFFAOYSA-N 1 1 305.372 3.448 20 10 DGCDMO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1c1cccnc1 ZINC000291870259 433376252 /nfs/dbraw/zinc/37/62/52/433376252.db2.gz JUWGODHBKYDGMM-KRWDZBQOSA-N 1 1 312.369 3.099 20 10 DGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]1c1cccnc1 ZINC000291870259 433376258 /nfs/dbraw/zinc/37/62/58/433376258.db2.gz JUWGODHBKYDGMM-KRWDZBQOSA-N 1 1 312.369 3.099 20 10 DGCDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ncnn2C(C)(C)C)cc1 ZINC000281939553 433436555 /nfs/dbraw/zinc/43/65/55/433436555.db2.gz BKCLCAXVHYKHDA-AWEZNQCLSA-N 1 1 315.465 3.340 20 10 DGCDMO CCCC[N@H+](Cc1ncnn1C(C)C)Cc1ccccc1O ZINC000282358871 433581904 /nfs/dbraw/zinc/58/19/04/433581904.db2.gz DALYHFSIOREVCI-UHFFFAOYSA-N 1 1 302.422 3.367 20 10 DGCDMO CCCC[N@@H+](Cc1ncnn1C(C)C)Cc1ccccc1O ZINC000282358871 433581913 /nfs/dbraw/zinc/58/19/13/433581913.db2.gz DALYHFSIOREVCI-UHFFFAOYSA-N 1 1 302.422 3.367 20 10 DGCDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000292688034 433586023 /nfs/dbraw/zinc/58/60/23/433586023.db2.gz BDMBZOURCXNWOA-FZMZJTMJSA-N 1 1 316.367 3.117 20 10 DGCDMO CCCC[N@@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1O ZINC000283122162 433669809 /nfs/dbraw/zinc/66/98/09/433669809.db2.gz VIJLMKSBIMNWEY-UHFFFAOYSA-N 1 1 318.442 3.355 20 10 DGCDMO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000293678563 433823094 /nfs/dbraw/zinc/82/30/94/433823094.db2.gz KDNMVFHGVVAMKB-IUODEOHRSA-N 1 1 310.413 3.124 20 10 DGCDMO CCC[C@H](C)C(=O)NCC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000293678565 433825270 /nfs/dbraw/zinc/82/52/70/433825270.db2.gz KDNMVFHGVVAMKB-SWLSCSKDSA-N 1 1 310.413 3.124 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@](CO)(C(C)C)C2)c1 ZINC000294147412 434013641 /nfs/dbraw/zinc/01/36/41/434013641.db2.gz VFFPZHXLXJMTDE-SFHVURJKSA-N 1 1 307.434 3.021 20 10 DGCDMO COC[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000294325166 434086046 /nfs/dbraw/zinc/08/60/46/434086046.db2.gz XEEXCLRFASPCRC-MRXNPFEDSA-N 1 1 311.809 3.107 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CC[C@H](OC)C(C)(C)C2)c(O)c1 ZINC000294706781 434127915 /nfs/dbraw/zinc/12/79/15/434127915.db2.gz BPCUMXRXILONCX-KRWDZBQOSA-N 1 1 307.434 3.428 20 10 DGCDMO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294764489 434142328 /nfs/dbraw/zinc/14/23/28/434142328.db2.gz SILMEDSWXCROCO-CYBMUJFWSA-N 1 1 309.772 3.085 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000294942114 434153007 /nfs/dbraw/zinc/15/30/07/434153007.db2.gz CJHJSZJPAHZRJR-INIZCTEOSA-N 1 1 321.804 3.220 20 10 DGCDMO COc1ccc([N@H+](C[C@H]2CCNC(=O)CC2)[C@@H](C)C2CC2)cc1 ZINC000295019514 434159381 /nfs/dbraw/zinc/15/93/81/434159381.db2.gz UPZDQRRTIMTWAU-LSDHHAIUSA-N 1 1 316.445 3.216 20 10 DGCDMO COc1ccc([N@@H+](C[C@H]2CCNC(=O)CC2)[C@@H](C)C2CC2)cc1 ZINC000295019514 434159389 /nfs/dbraw/zinc/15/93/89/434159389.db2.gz UPZDQRRTIMTWAU-LSDHHAIUSA-N 1 1 316.445 3.216 20 10 DGCDMO COc1ccc([N@H+](C[C@H]2CCNC(=O)CC2)[C@H](C)C2CC2)cc1 ZINC000295019510 434160151 /nfs/dbraw/zinc/16/01/51/434160151.db2.gz UPZDQRRTIMTWAU-HUUCEWRRSA-N 1 1 316.445 3.216 20 10 DGCDMO COc1ccc([N@@H+](C[C@H]2CCNC(=O)CC2)[C@H](C)C2CC2)cc1 ZINC000295019510 434160156 /nfs/dbraw/zinc/16/01/56/434160156.db2.gz UPZDQRRTIMTWAU-HUUCEWRRSA-N 1 1 316.445 3.216 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000365268606 434294330 /nfs/dbraw/zinc/29/43/30/434294330.db2.gz ZDXUIGDYOPTUFI-LBPRGKRZSA-N 1 1 313.800 3.433 20 10 DGCDMO C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000295828952 434440516 /nfs/dbraw/zinc/44/05/16/434440516.db2.gz DUXTXSUYVVCXKO-NVXWUHKLSA-N 1 1 302.462 3.481 20 10 DGCDMO OCC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000293673389 335114661 /nfs/dbraw/zinc/11/46/61/335114661.db2.gz QUFNVBANZTVAIM-ZDUSSCGKSA-N 1 1 323.795 3.441 20 10 DGCDMO C[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000185313807 533855781 /nfs/dbraw/zinc/85/57/81/533855781.db2.gz OPUOZQOBXKWVCI-NSHDSACASA-N 1 1 312.385 3.049 20 10 DGCDMO C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(F)cc1O ZINC000273475450 533899353 /nfs/dbraw/zinc/89/93/53/533899353.db2.gz SSCMWJKGXZCUKI-XJKSGUPXSA-N 1 1 303.377 3.176 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCSC[C@@H](C)C2)c1O ZINC000190845474 522534879 /nfs/dbraw/zinc/53/48/79/522534879.db2.gz AOCDMXKRUGGYEM-JTQLQIEISA-N 1 1 301.839 3.239 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)c1 ZINC000180203299 534201122 /nfs/dbraw/zinc/20/11/22/534201122.db2.gz OWILCCGNZBSDKA-LJQANCHMSA-N 1 1 313.397 3.148 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@](CC)(CO)C2)c(O)c1 ZINC000190212091 520348316 /nfs/dbraw/zinc/34/83/16/520348316.db2.gz GEDTXIXEMBVLGS-GOSISDBHSA-N 1 1 307.434 3.166 20 10 DGCDMO CC[N@@H+](Cc1ccno1)Cc1cc(Br)ccc1O ZINC000266652127 521425446 /nfs/dbraw/zinc/42/54/46/521425446.db2.gz YYGRDRKTZHLQPG-UHFFFAOYSA-N 1 1 311.179 3.165 20 10 DGCDMO COC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(C)o1 ZINC000266960482 522750029 /nfs/dbraw/zinc/75/00/29/522750029.db2.gz JWZVKURDPITSCX-HNNXBMFYSA-N 1 1 306.381 3.270 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCc3c(F)cccc3C2)cc1OC ZINC000160502144 522777407 /nfs/dbraw/zinc/77/74/07/522777407.db2.gz QSSHLALNJKPSOK-UHFFFAOYSA-N 1 1 317.360 3.107 20 10 DGCDMO C[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCCOC1 ZINC000156030631 523163782 /nfs/dbraw/zinc/16/37/82/523163782.db2.gz QBRSTMNHHNJFJP-NSHDSACASA-N 1 1 314.223 3.013 20 10 DGCDMO C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccc(F)cc1O ZINC000187927141 525366492 /nfs/dbraw/zinc/36/64/92/525366492.db2.gz BNFNMBDRVCYIMU-UGSOOPFHSA-N 1 1 303.377 3.480 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)c1O ZINC000181012682 525915291 /nfs/dbraw/zinc/91/52/91/525915291.db2.gz BTEZVMULHABECL-UHFFFAOYSA-N 1 1 311.303 3.450 20 10 DGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000180470872 526327370 /nfs/dbraw/zinc/32/73/70/526327370.db2.gz SYASCRZHDNQBHB-CQSZACIVSA-N 1 1 308.853 3.353 20 10 DGCDMO Oc1cccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000160197233 526359591 /nfs/dbraw/zinc/35/95/91/526359591.db2.gz ARYNENKDJRKSRG-SFHVURJKSA-N 1 1 313.397 3.279 20 10 DGCDMO c1cc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000367722932 526435908 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DGCDMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613226 574632259 /nfs/dbraw/zinc/63/22/59/574632259.db2.gz FYWATBOIXGISTK-GOSISDBHSA-N 1 1 321.461 3.170 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)cc1 ZINC000734636869 574671870 /nfs/dbraw/zinc/67/18/70/574671870.db2.gz CDRMNDFCKVLQFB-FQEVSTJZSA-N 1 1 310.441 3.498 20 10 DGCDMO COC[C@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000739867355 574914125 /nfs/dbraw/zinc/91/41/25/574914125.db2.gz BAASFIHCKQEALJ-ZDUSSCGKSA-N 1 1 315.413 3.486 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000740003947 574917923 /nfs/dbraw/zinc/91/79/23/574917923.db2.gz DTVWEKWOXPOSFW-SJORKVTESA-N 1 1 319.468 3.388 20 10 DGCDMO CC(C)[N@@H+](CCOC[C@@H]1CCCO1)Cc1ccc(N(C)C)cc1 ZINC000741389291 574957076 /nfs/dbraw/zinc/95/70/76/574957076.db2.gz ZDSLFQKQNOPYDU-IBGZPJMESA-N 1 1 320.477 3.159 20 10 DGCDMO CCC[N@H+](C)C[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000743393382 575049260 /nfs/dbraw/zinc/04/92/60/575049260.db2.gz 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/nfs/dbraw/zinc/60/89/55/575608955.db2.gz QQLPWAXXTNDXQQ-LFIBNONCSA-N 1 1 316.445 3.228 20 10 DGCDMO Cc1cc(CN2CC[NH+](C3CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000749674852 575672120 /nfs/dbraw/zinc/67/21/20/575672120.db2.gz DSMZZFKHZVOCEG-UHFFFAOYSA-N 1 1 302.462 3.278 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000751946634 575813845 /nfs/dbraw/zinc/81/38/45/575813845.db2.gz ZZEISROXNPROOY-LBPRGKRZSA-N 1 1 301.386 3.238 20 10 DGCDMO CN(C)c1ccc(C[N@H+](CC(=O)Nc2ccccc2)C2CC2)cc1 ZINC000917074326 620654808 /nfs/dbraw/zinc/65/48/08/620654808.db2.gz XXFRAMLNWBBOGL-UHFFFAOYSA-N 1 1 323.440 3.356 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](CC(=O)Nc2ccccc2)C2CC2)cc1 ZINC000917074326 620654809 /nfs/dbraw/zinc/65/48/09/620654809.db2.gz XXFRAMLNWBBOGL-UHFFFAOYSA-N 1 1 323.440 3.356 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCO[C@@](C)(C3CC3)C2)c1 ZINC000853528161 620706653 /nfs/dbraw/zinc/70/66/53/620706653.db2.gz LYBUOOBFNBIICX-LJQANCHMSA-N 1 1 319.445 3.396 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)c1 ZINC000853543695 620708345 /nfs/dbraw/zinc/70/83/45/620708345.db2.gz HQFYZBCIXLNIHV-KDURUIRLSA-N 1 1 319.445 3.254 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CC[C@H]1c1ccc(F)cc1)OCO2 ZINC000853544559 620709190 /nfs/dbraw/zinc/70/91/90/620709190.db2.gz WBYBYOORXYWWGY-AWEZNQCLSA-N 1 1 301.317 3.207 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H]1c1ccc(F)cc1)OCO2 ZINC000853544559 620709193 /nfs/dbraw/zinc/70/91/93/620709193.db2.gz WBYBYOORXYWWGY-AWEZNQCLSA-N 1 1 301.317 3.207 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(O)cc1C ZINC000853572423 620710927 /nfs/dbraw/zinc/71/09/27/620710927.db2.gz SDCHRPUMBKFPTG-CRAIPNDOSA-N 1 1 319.445 3.490 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H]3COC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853585947 620712837 /nfs/dbraw/zinc/71/28/37/620712837.db2.gz LRHYDHAUIPULFS-GOEBONIOSA-N 1 1 303.446 3.466 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H]4COC[C@H]4C3)c2c1 ZINC000853586649 620712943 /nfs/dbraw/zinc/71/29/43/620712943.db2.gz VTJKDPBAAZVXIK-HUUCEWRRSA-N 1 1 313.397 3.022 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000154904113 620737142 /nfs/dbraw/zinc/73/71/42/620737142.db2.gz RAKGNSCYPPVNRX-HNNXBMFYSA-N 1 1 320.433 3.190 20 10 DGCDMO CS[C@@H]1CCCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000134564070 617636487 /nfs/dbraw/zinc/63/64/87/617636487.db2.gz NYVHCYBSJJHUCQ-CQSZACIVSA-N 1 1 311.422 3.451 20 10 DGCDMO C[C@H]([NH2+]Cc1cnn(C)n1)c1ccc(N2CCCCCC2)cc1 ZINC000806168308 617648794 /nfs/dbraw/zinc/64/87/94/617648794.db2.gz IIWLGIPIICMKRK-HNNXBMFYSA-N 1 1 313.449 3.046 20 10 DGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2O)C1(C)C ZINC000892102047 617962164 /nfs/dbraw/zinc/96/21/64/617962164.db2.gz REYOSEVFFMAJKU-CABCVRRESA-N 1 1 323.433 3.045 20 10 DGCDMO COc1ccc(C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c(O)c1OC ZINC000892203090 617983969 /nfs/dbraw/zinc/98/39/69/617983969.db2.gz QEOZLTWSKRPIIB-KSSFIOAISA-N 1 1 323.433 3.045 20 10 DGCDMO COc1ccc(C[N@H+]2CCC=C(c3ccco3)C2)c(O)c1OC ZINC000894390656 618303095 /nfs/dbraw/zinc/30/30/95/618303095.db2.gz HVQGJXNPOAPSJP-UHFFFAOYSA-N 1 1 315.369 3.292 20 10 DGCDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c(O)c1OC ZINC000894450122 618335441 /nfs/dbraw/zinc/33/54/41/618335441.db2.gz SDDRVUQIDBOKOJ-OAHLLOKOSA-N 1 1 314.385 3.142 20 10 DGCDMO COc1cc(C)cc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)c1O ZINC000894448955 618336674 /nfs/dbraw/zinc/33/66/74/618336674.db2.gz NQITWVQMXMEGFN-ZDUSSCGKSA-N 1 1 321.323 3.211 20 10 DGCDMO CC[N@@H+](Cc1cc(C)cc(OC)c1O)[C@@H]1CCOC(C)(C)C1 ZINC000894789831 618454735 /nfs/dbraw/zinc/45/47/35/618454735.db2.gz KOFNQZNZAFXYOW-OAHLLOKOSA-N 1 1 307.434 3.489 20 10 DGCDMO CC(C)[C@@H]1[N@@H+](Cc2cc(F)cc(F)c2[O-])CC12CCOCC2 ZINC000894999570 618509094 /nfs/dbraw/zinc/50/90/94/618509094.db2.gz UXQSXKRBHGSKSF-INIZCTEOSA-N 1 1 311.372 3.307 20 10 DGCDMO CC(C)[C@@H]1[N@H+](Cc2cc(F)cc(F)c2O)CC12CCOCC2 ZINC000894999570 618509097 /nfs/dbraw/zinc/50/90/97/618509097.db2.gz UXQSXKRBHGSKSF-INIZCTEOSA-N 1 1 311.372 3.307 20 10 DGCDMO CC(C)[C@@H]1[N@@H+](Cc2cc(F)cc(F)c2O)CC12CCOCC2 ZINC000894999570 618509098 /nfs/dbraw/zinc/50/90/98/618509098.db2.gz UXQSXKRBHGSKSF-INIZCTEOSA-N 1 1 311.372 3.307 20 10 DGCDMO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3C)C2)n1 ZINC000840910842 618524482 /nfs/dbraw/zinc/52/44/82/618524482.db2.gz MXBQPZAWBUPSEZ-MRXNPFEDSA-N 1 1 314.433 3.132 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2C)cc1O ZINC000840912049 618525646 /nfs/dbraw/zinc/52/56/46/618525646.db2.gz ZFUDWZNMASPXSH-UHFFFAOYSA-N 1 1 314.429 3.407 20 10 DGCDMO COc1ccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c(O)c1OC ZINC000893497354 618574020 /nfs/dbraw/zinc/57/40/20/618574020.db2.gz ISSMPSIUICIPKO-QEJZJMRPSA-N 1 1 305.418 3.420 20 10 DGCDMO COc1ccc(C[N@@H+](C)C[C@H](C)c2nccs2)c(O)c1OC ZINC000893536584 618588038 /nfs/dbraw/zinc/58/80/38/618588038.db2.gz WLYMUFSCVANAEA-NSHDSACASA-N 1 1 322.430 3.101 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(N(C)C)cc1 ZINC000925782699 618618859 /nfs/dbraw/zinc/61/88/59/618618859.db2.gz MOZOFVJXCUVAFM-HOCLYGCPSA-N 1 1 311.420 3.038 20 10 DGCDMO CC[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N(C)C)cc1 ZINC000925782699 618618861 /nfs/dbraw/zinc/61/88/61/618618861.db2.gz MOZOFVJXCUVAFM-HOCLYGCPSA-N 1 1 311.420 3.038 20 10 DGCDMO CC[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(N(C)C)cc1 ZINC000925782739 618618984 /nfs/dbraw/zinc/61/89/84/618618984.db2.gz MOZOFVJXCUVAFM-ZBFHGGJFSA-N 1 1 311.420 3.038 20 10 DGCDMO CC[C@H](NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(N(C)C)cc1 ZINC000925782739 618618986 /nfs/dbraw/zinc/61/89/86/618618986.db2.gz MOZOFVJXCUVAFM-ZBFHGGJFSA-N 1 1 311.420 3.038 20 10 DGCDMO CC(C)(C[NH2+]Cc1cc(Cl)c(F)cc1O)OCC1CC1 ZINC000840960932 618639081 /nfs/dbraw/zinc/63/90/81/618639081.db2.gz YDANCCKLKPIWAR-UHFFFAOYSA-N 1 1 301.789 3.480 20 10 DGCDMO COc1ccc(C[N@H+]2CCc3cc(C)ccc3C2)c(O)c1OC ZINC000893980233 618687049 /nfs/dbraw/zinc/68/70/49/618687049.db2.gz HXEXKKKMCXIEQK-UHFFFAOYSA-N 1 1 313.397 3.276 20 10 DGCDMO OCCC[N@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1O ZINC000894003254 618692999 /nfs/dbraw/zinc/69/29/99/618692999.db2.gz ICNNUDNAGQVDEA-UHFFFAOYSA-N 1 1 307.340 3.055 20 10 DGCDMO OCCC[N@@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1O ZINC000894003254 618693002 /nfs/dbraw/zinc/69/30/02/618693002.db2.gz ICNNUDNAGQVDEA-UHFFFAOYSA-N 1 1 307.340 3.055 20 10 DGCDMO CCN1CC[C@@H]([N@H+](C)Cc2cc(C)cc(OC)c2O)C[C@H]1C ZINC000894044002 618698676 /nfs/dbraw/zinc/69/86/76/618698676.db2.gz HPYDSVDCAQGCFT-GDBMZVCRSA-N 1 1 306.450 3.014 20 10 DGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(OC)c2O)C[C@H]1C ZINC000894044002 618698679 /nfs/dbraw/zinc/69/86/79/618698679.db2.gz HPYDSVDCAQGCFT-GDBMZVCRSA-N 1 1 306.450 3.014 20 10 DGCDMO CCN1CC[C@H]([N@H+](C)Cc2cc(C)cc(OC)c2O)C[C@@H]1C ZINC000894044004 618698854 /nfs/dbraw/zinc/69/88/54/618698854.db2.gz HPYDSVDCAQGCFT-HOCLYGCPSA-N 1 1 306.450 3.014 20 10 DGCDMO CCN1CC[C@H]([N@@H+](C)Cc2cc(C)cc(OC)c2O)C[C@@H]1C ZINC000894044004 618698857 /nfs/dbraw/zinc/69/88/57/618698857.db2.gz HPYDSVDCAQGCFT-HOCLYGCPSA-N 1 1 306.450 3.014 20 10 DGCDMO COc1cc(C)cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)c1O ZINC000894053766 618700491 /nfs/dbraw/zinc/70/04/91/618700491.db2.gz IMSITCGKNMAHTI-MRXNPFEDSA-N 1 1 306.450 3.015 20 10 DGCDMO COc1cc(C)cc(CN(C)CC[C@H]2CCCC[N@H+]2C)c1O ZINC000894053766 618700494 /nfs/dbraw/zinc/70/04/94/618700494.db2.gz IMSITCGKNMAHTI-MRXNPFEDSA-N 1 1 306.450 3.015 20 10 DGCDMO COc1cc(C)cc(C[NH2+]Cc2nc3ccc(C)cc3[nH]2)c1O ZINC000894310021 618760473 /nfs/dbraw/zinc/76/04/73/618760473.db2.gz FZABHIGYTAGZQK-UHFFFAOYSA-N 1 1 311.385 3.184 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@]2(C)C(=O)OC(C)(C)C)c1O ZINC000895408503 618780191 /nfs/dbraw/zinc/78/01/91/618780191.db2.gz CXKJCZQYQUUGAZ-GOSISDBHSA-N 1 1 321.417 3.097 20 10 DGCDMO [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000895413456 618780978 /nfs/dbraw/zinc/78/09/78/618780978.db2.gz DSHXXLPAOLHZHA-LBPRGKRZSA-N 1 1 305.324 3.366 20 10 DGCDMO Oc1ccc([C@H]2CC[N@H+](Cc3cc(F)cc(F)c3O)C2)cc1 ZINC000895413456 618780985 /nfs/dbraw/zinc/78/09/85/618780985.db2.gz DSHXXLPAOLHZHA-LBPRGKRZSA-N 1 1 305.324 3.366 20 10 DGCDMO Oc1ccc([C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C2)cc1 ZINC000895413456 618780987 /nfs/dbraw/zinc/78/09/87/618780987.db2.gz DSHXXLPAOLHZHA-LBPRGKRZSA-N 1 1 305.324 3.366 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1F ZINC000895585104 618802889 /nfs/dbraw/zinc/80/28/89/618802889.db2.gz WBOVQXABXVVTLR-ZDUSSCGKSA-N 1 1 305.422 3.338 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH+]1CC(CC2CCOCC2)C1 ZINC000895615938 618807294 /nfs/dbraw/zinc/80/72/94/618807294.db2.gz RKKZSMSWQFDMPW-UHFFFAOYSA-N 1 1 313.800 3.433 20 10 DGCDMO Cc1nc([C@H]2CC[N@@H+](Cc3c(O)cc(C)cc3Cl)C2)no1 ZINC000896231749 618889308 /nfs/dbraw/zinc/88/93/08/618889308.db2.gz DGZWHTVPTKUGJH-NSHDSACASA-N 1 1 307.781 3.035 20 10 DGCDMO C[C@H]([NH2+]Cc1c(O)cccc1F)[C@@H]1COc2ccccc2C1 ZINC000896642926 618938078 /nfs/dbraw/zinc/93/80/78/618938078.db2.gz SJRRAFITFAELRT-JSGCOSHPSA-N 1 1 301.361 3.261 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC=CCC1 ZINC000121296090 619039355 /nfs/dbraw/zinc/03/93/55/619039355.db2.gz RYAIEXLTJCLOQH-KRWDZBQOSA-N 1 1 300.446 3.311 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c1O ZINC000897267601 619039506 /nfs/dbraw/zinc/03/95/06/619039506.db2.gz MXBROXDJVDEZTD-INIZCTEOSA-N 1 1 319.445 3.430 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@H](Cc3nc(C)cs3)C2)c1O ZINC000897299094 619048780 /nfs/dbraw/zinc/04/87/80/619048780.db2.gz UMADWIKNYHSJTQ-CYBMUJFWSA-N 1 1 318.442 3.230 20 10 DGCDMO CCn1cnc2c1CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C2 ZINC000897333649 619061730 /nfs/dbraw/zinc/06/17/30/619061730.db2.gz IZDSMERUIWEAQZ-AATRIKPKSA-N 1 1 310.445 3.041 20 10 DGCDMO CCn1cnc2c1CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C2 ZINC000897333649 619061731 /nfs/dbraw/zinc/06/17/31/619061731.db2.gz IZDSMERUIWEAQZ-AATRIKPKSA-N 1 1 310.445 3.041 20 10 DGCDMO CCNC(=O)C1(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)CCC1 ZINC000841754095 619156030 /nfs/dbraw/zinc/15/60/30/619156030.db2.gz YUYQXZZYSRLEEP-NSHDSACASA-N 1 1 310.825 3.003 20 10 DGCDMO CC[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc(F)cc1O ZINC000926963144 619253329 /nfs/dbraw/zinc/25/33/29/619253329.db2.gz MNXFMVFQRRQRKP-GXTWGEPZSA-N 1 1 322.346 3.455 20 10 DGCDMO C[C@@H]1C[C@@H](NCc2cc(N(C)C)cc[nH+]2)c2c1c(F)ccc2O ZINC000903198070 619735006 /nfs/dbraw/zinc/73/50/06/619735006.db2.gz FDUZDJNGASSORG-IAQYHMDHSA-N 1 1 315.392 3.330 20 10 DGCDMO CC[C@H](NCc1cc(N(C)C)cc[nH+]1)c1ccc(N(C)C)cc1 ZINC000903202051 619736103 /nfs/dbraw/zinc/73/61/03/619736103.db2.gz VEADLYPKMCICQT-IBGZPJMESA-N 1 1 312.461 3.455 20 10 DGCDMO CC[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)c1ccc(F)cc1O ZINC000903271660 619750124 /nfs/dbraw/zinc/75/01/24/619750124.db2.gz JZSGKFFHLVYRCR-HRCADAONSA-N 1 1 324.465 3.152 20 10 DGCDMO C[C@H]([NH2+]Cc1cn(C)cn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000903351107 619763465 /nfs/dbraw/zinc/76/34/65/619763465.db2.gz HQHYVJMSOOTCRY-AWEZNQCLSA-N 1 1 316.424 3.400 20 10 DGCDMO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccns1 ZINC000903447676 619778096 /nfs/dbraw/zinc/77/80/96/619778096.db2.gz AUVHPNSFYRKLGF-CZUORRHYSA-N 1 1 318.490 3.163 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCOc2ccc(N)cc2C1 ZINC000903945142 619842967 /nfs/dbraw/zinc/84/29/67/619842967.db2.gz QUTDIEHHPKMZJP-UHFFFAOYSA-N 1 1 311.429 3.038 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)c1O ZINC000905705020 620019016 /nfs/dbraw/zinc/01/90/16/620019016.db2.gz JXTBQLRIYGASKZ-GFCCVEGCSA-N 1 1 321.364 3.189 20 10 DGCDMO Cn1nccc1[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000905734054 620024140 /nfs/dbraw/zinc/02/41/40/620024140.db2.gz BDEIKDFEPBDPOD-SFHVURJKSA-N 1 1 311.429 3.342 20 10 DGCDMO COCC[N@@H+](Cc1ccccc1)Cc1cc(C)cc(OC)c1O ZINC000915807529 620598718 /nfs/dbraw/zinc/59/87/18/620598718.db2.gz FIQNUXCUBPXXTH-UHFFFAOYSA-N 1 1 315.413 3.358 20 10 DGCDMO CC[N@@H+](CCOC)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000921047602 620835118 /nfs/dbraw/zinc/83/51/18/620835118.db2.gz ZFMWPRFZPJMZAS-UHFFFAOYSA-N 1 1 303.402 3.486 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCCO1)c1cc(Br)c(F)cc1O ZINC000756354389 620959854 /nfs/dbraw/zinc/95/98/54/620959854.db2.gz AAWFCEJQEUXFDM-DTWKUNHWSA-N 1 1 318.186 3.123 20 10 DGCDMO CCOc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c(O)c1 ZINC000922524514 621050969 /nfs/dbraw/zinc/05/09/69/621050969.db2.gz DPKMYQFECDRNKW-MAUKXSAKSA-N 1 1 317.360 3.352 20 10 DGCDMO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(F)cc(F)c3O)C2)n1 ZINC000922861183 621110179 /nfs/dbraw/zinc/11/01/79/621110179.db2.gz ASMYNWGPLPVZOK-SKDRFNHKSA-N 1 1 323.343 3.042 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115543729 621117806 /nfs/dbraw/zinc/11/78/06/621117806.db2.gz JNYRUZALAPDJBE-KRWDZBQOSA-N 1 1 310.397 3.020 20 10 DGCDMO CCOc1ncccc1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858093853 621152050 /nfs/dbraw/zinc/15/20/50/621152050.db2.gz AFIYRGJKYMBDJR-UHFFFAOYSA-N 1 1 321.371 3.114 20 10 DGCDMO CN(C)c1cc(F)c(C[NH2+][C@](C)(CO)c2ccccc2)cc1F ZINC000858138640 621156697 /nfs/dbraw/zinc/15/66/97/621156697.db2.gz GUULBOTZLDGVBL-GOSISDBHSA-N 1 1 320.383 3.028 20 10 DGCDMO C[C@H](O)[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC000858196412 621163855 /nfs/dbraw/zinc/16/38/55/621163855.db2.gz ONZMSEZBEAPGAT-SGTLLEGYSA-N 1 1 320.383 3.243 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCCC34CC4)cc2)CC1 ZINC000858332925 621176917 /nfs/dbraw/zinc/17/69/17/621176917.db2.gz RLRYJJSFSKODNU-GOSISDBHSA-N 1 1 313.489 3.108 20 10 DGCDMO C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc(F)cc1O ZINC000858452607 621192994 /nfs/dbraw/zinc/19/29/94/621192994.db2.gz MTGCRKIGSVPRTH-QMMMGPOBSA-N 1 1 317.286 3.134 20 10 DGCDMO CC(C)N(C)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788590233 621199450 /nfs/dbraw/zinc/19/94/50/621199450.db2.gz UYTVXVUKIQYAHO-NSHDSACASA-N 1 1 304.356 3.402 20 10 DGCDMO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000858508361 621200124 /nfs/dbraw/zinc/20/01/24/621200124.db2.gz MYYYXYHXWLLBBS-ZWNOBZJWSA-N 1 1 309.793 3.348 20 10 DGCDMO CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788591886 621202408 /nfs/dbraw/zinc/20/24/08/621202408.db2.gz JHRBZVMKKYTZGJ-YGRLFVJLSA-N 1 1 305.340 3.469 20 10 DGCDMO CC(C)[N@@H+](CCOC1CCOCC1)Cc1ccc(N(C)C)cc1 ZINC000859081566 621246623 /nfs/dbraw/zinc/24/66/23/621246623.db2.gz HDSLLARVXVFKDG-UHFFFAOYSA-N 1 1 320.477 3.159 20 10 DGCDMO COc1cncc(C[N@@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000859140387 621252878 /nfs/dbraw/zinc/25/28/78/621252878.db2.gz URLFYYWNUWRUEB-UHFFFAOYSA-N 1 1 313.401 3.136 20 10 DGCDMO C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000839180113 621343184 /nfs/dbraw/zinc/34/31/84/621343184.db2.gz CIRKRLQYXCJHKG-LLVKDONJSA-N 1 1 300.805 3.006 20 10 DGCDMO COc1c(O)c(C[NH2+]C2(C3CCC3)CCC2)ccc1[N+](=O)[O-] ZINC000839185815 621345084 /nfs/dbraw/zinc/34/50/84/621345084.db2.gz AZKBVLKDKIJOFE-UHFFFAOYSA-N 1 1 306.362 3.121 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2[C@H](C)C[C@@H](C(=O)OC)C[C@@H]2C)cc1 ZINC000860190997 621379491 /nfs/dbraw/zinc/37/94/91/621379491.db2.gz YUKAYZZGROLOBV-SCAQPMJSSA-N 1 1 318.461 3.305 20 10 DGCDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000753966566 621475297 /nfs/dbraw/zinc/47/52/97/621475297.db2.gz ZGVGMQTYMUZCKS-HXUWFJFHSA-N 1 1 312.457 3.442 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c1O ZINC000754736760 621529297 /nfs/dbraw/zinc/52/92/97/621529297.db2.gz KZULWFMRPYQSSN-QGZVFWFLSA-N 1 1 313.397 3.283 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCOC[C@@H]2c2ccccc2)c1O ZINC000754736760 621529300 /nfs/dbraw/zinc/52/93/00/621529300.db2.gz KZULWFMRPYQSSN-QGZVFWFLSA-N 1 1 313.397 3.283 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000754736843 621529412 /nfs/dbraw/zinc/52/94/12/621529412.db2.gz NWLNAILVGIYEDQ-WCQYABFASA-N 1 1 303.324 3.161 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000754736843 621529414 /nfs/dbraw/zinc/52/94/14/621529414.db2.gz NWLNAILVGIYEDQ-WCQYABFASA-N 1 1 303.324 3.161 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1F ZINC000862250519 621567522 /nfs/dbraw/zinc/56/75/22/621567522.db2.gz PZLUTWJBUHSGLF-AWEZNQCLSA-N 1 1 324.415 3.279 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1F ZINC000862253101 621567962 /nfs/dbraw/zinc/56/79/62/621567962.db2.gz IQZWHLUSIDGSKW-UONOGXRCSA-N 1 1 324.415 3.279 20 10 DGCDMO C[C@H]1CCSCC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862343561 621575423 /nfs/dbraw/zinc/57/54/23/621575423.db2.gz SMOQNXLAGNQCBS-NSHDSACASA-N 1 1 300.418 3.358 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)CCS1 ZINC000862346008 621576115 /nfs/dbraw/zinc/57/61/15/621576115.db2.gz JSVZDLIFJRJOCD-JTQLQIEISA-N 1 1 316.264 3.482 20 10 DGCDMO CC[N@H+](Cc1ccncc1)Cc1cc(F)c(N(C)C)cc1F ZINC000862367189 621579224 /nfs/dbraw/zinc/57/92/24/621579224.db2.gz ZAEBUQGWZMELFF-UHFFFAOYSA-N 1 1 305.372 3.448 20 10 DGCDMO CC[N@@H+](Cc1ccncc1)Cc1cc(F)c(N(C)C)cc1F ZINC000862367189 621579225 /nfs/dbraw/zinc/57/92/25/621579225.db2.gz ZAEBUQGWZMELFF-UHFFFAOYSA-N 1 1 305.372 3.448 20 10 DGCDMO CN1C[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)CCC1=O ZINC000862428437 621588583 /nfs/dbraw/zinc/58/85/83/621588583.db2.gz QGHFIPAJGMOBKB-GOSISDBHSA-N 1 1 324.424 3.112 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000862435677 621589320 /nfs/dbraw/zinc/58/93/20/621589320.db2.gz GYMSKBAVIJZPML-AWEZNQCLSA-N 1 1 321.779 3.416 20 10 DGCDMO FC1(F)CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000862466058 621592343 /nfs/dbraw/zinc/59/23/43/621592343.db2.gz CRIJCZMBIZDQMR-UHFFFAOYSA-N 1 1 310.388 3.144 20 10 DGCDMO [O-]c1c(F)cccc1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862481988 621593668 /nfs/dbraw/zinc/59/36/68/621593668.db2.gz CEUPJDYLUQKDOU-GOSISDBHSA-N 1 1 301.361 3.015 20 10 DGCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862481988 621593670 /nfs/dbraw/zinc/59/36/70/621593670.db2.gz CEUPJDYLUQKDOU-GOSISDBHSA-N 1 1 301.361 3.015 20 10 DGCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862481988 621593673 /nfs/dbraw/zinc/59/36/73/621593673.db2.gz CEUPJDYLUQKDOU-GOSISDBHSA-N 1 1 301.361 3.015 20 10 DGCDMO COc1cccc2c1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000862528711 621597039 /nfs/dbraw/zinc/59/70/39/621597039.db2.gz HKQSWJOMPCWMPS-UHFFFAOYSA-N 1 1 324.424 3.048 20 10 DGCDMO COc1cccc2c1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000862528711 621597041 /nfs/dbraw/zinc/59/70/41/621597041.db2.gz HKQSWJOMPCWMPS-UHFFFAOYSA-N 1 1 324.424 3.048 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c1O ZINC000862540130 621598224 /nfs/dbraw/zinc/59/82/24/621598224.db2.gz ADBBEKUZTVFZDX-HNNXBMFYSA-N 1 1 313.397 3.486 20 10 DGCDMO C/C=C\C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000862551700 621600869 /nfs/dbraw/zinc/60/08/69/621600869.db2.gz XSTYHYYSCNQXEP-SCOBNMCVSA-N 1 1 320.389 3.487 20 10 DGCDMO C/C=C\C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000862551700 621600870 /nfs/dbraw/zinc/60/08/70/621600870.db2.gz XSTYHYYSCNQXEP-SCOBNMCVSA-N 1 1 320.389 3.487 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)c(F)c2)c1 ZINC000756366503 621631711 /nfs/dbraw/zinc/63/17/11/621631711.db2.gz SYRSMJVUHTWULF-GFCCVEGCSA-N 1 1 317.360 3.477 20 10 DGCDMO COc1ccc(O)c([C@H](C)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000756422728 621637305 /nfs/dbraw/zinc/63/73/05/621637305.db2.gz NLWKZURQECCJSI-OAGGEKHMSA-N 1 1 320.477 3.419 20 10 DGCDMO CCCC[C@H](COC)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756584969 621651143 /nfs/dbraw/zinc/65/11/43/621651143.db2.gz HUOGCSTWLWFESY-TZMCWYRMSA-N 1 1 309.406 3.035 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3ccc(C)cc3[nH]2)c1 ZINC000756630997 621654176 /nfs/dbraw/zinc/65/41/76/621654176.db2.gz WXEAXIDVFMCZQC-GFCCVEGCSA-N 1 1 311.385 3.436 20 10 DGCDMO CCO[C@@H](CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)C(C)C ZINC000756629308 621654197 /nfs/dbraw/zinc/65/41/97/621654197.db2.gz PFVMLLKYOBTXKG-GUYCJALGSA-N 1 1 323.433 3.281 20 10 DGCDMO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1O ZINC000756706678 621659207 /nfs/dbraw/zinc/65/92/07/621659207.db2.gz CORNWPIGZUVTIY-LLVKDONJSA-N 1 1 320.320 3.169 20 10 DGCDMO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756713186 621659824 /nfs/dbraw/zinc/65/98/24/621659824.db2.gz VWMMOGDFACQNTQ-IGCXYCKISA-N 1 1 303.377 3.347 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1O ZINC000756760118 621662845 /nfs/dbraw/zinc/66/28/45/621662845.db2.gz IMYWOHPIMSBRNC-BLLLJJGKSA-N 1 1 320.408 3.116 20 10 DGCDMO C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(F)cc1O ZINC000756770472 621663536 /nfs/dbraw/zinc/66/35/36/621663536.db2.gz XPCPNIAJPKYQIF-LLVKDONJSA-N 1 1 301.365 3.092 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1O ZINC000756900528 621671310 /nfs/dbraw/zinc/67/13/10/621671310.db2.gz FKTDVKQLVXLGOT-WBMJQRKESA-N 1 1 323.820 3.249 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1O ZINC000756900528 621671311 /nfs/dbraw/zinc/67/13/11/621671311.db2.gz FKTDVKQLVXLGOT-WBMJQRKESA-N 1 1 323.820 3.249 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)CCCC2 ZINC000789500068 625511773 /nfs/dbraw/zinc/51/17/73/625511773.db2.gz BZPDCUJLXWFVAS-IEBWSBKVSA-N 1 1 301.430 3.414 20 10 DGCDMO COc1cc2c(c(OC)c1)N(CCCn1cc[nH+]c1C)CCC2 ZINC000839654801 621704458 /nfs/dbraw/zinc/70/44/58/621704458.db2.gz AKJZDXOHPAFGAF-UHFFFAOYSA-N 1 1 315.417 3.052 20 10 DGCDMO COC(=O)c1ccc(CNc2ccc3c(c2)[nH+]cn3C)c(F)c1 ZINC000864016000 621727386 /nfs/dbraw/zinc/72/73/86/621727386.db2.gz HVKHTJTXZPQZGS-UHFFFAOYSA-N 1 1 313.332 3.111 20 10 DGCDMO CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000757675067 621732913 /nfs/dbraw/zinc/73/29/13/621732913.db2.gz ZORGPCDFOIIVGR-CYBMUJFWSA-N 1 1 314.857 3.055 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C[C@@H]1n1ccnc1 ZINC000759156655 621829835 /nfs/dbraw/zinc/82/98/35/621829835.db2.gz HJDKUIGLUGDTQF-KDOFPFPSSA-N 1 1 322.412 3.220 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)N[C@@H](C)C(C)C)cc1 ZINC000759643066 621878533 /nfs/dbraw/zinc/87/85/33/621878533.db2.gz KRJIBCSJUICIML-INIZCTEOSA-N 1 1 319.493 3.125 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)N[C@@H](C)C(C)C)cc1 ZINC000759643066 621878535 /nfs/dbraw/zinc/87/85/35/621878535.db2.gz KRJIBCSJUICIML-INIZCTEOSA-N 1 1 319.493 3.125 20 10 DGCDMO C[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)CC1(C)OCCO1 ZINC000865674802 621976227 /nfs/dbraw/zinc/97/62/27/621976227.db2.gz ZPMCKFCXTBDOOV-JTQLQIEISA-N 1 1 317.788 3.064 20 10 DGCDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000789587532 625529612 /nfs/dbraw/zinc/52/96/12/625529612.db2.gz YOYKHIJIIGMRQA-BRWVUGGUSA-N 1 1 302.462 3.390 20 10 DGCDMO CC[N@@H+](CCC1CC1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000761227049 621995839 /nfs/dbraw/zinc/99/58/39/621995839.db2.gz ZLKGNQNRBCCBDS-UHFFFAOYSA-N 1 1 306.425 3.284 20 10 DGCDMO CC[C@H]([NH2+]C[C@H](C)CC1(C)OCCO1)c1ccc(F)cc1O ZINC000866427303 622116663 /nfs/dbraw/zinc/11/66/63/622116663.db2.gz KAQTZHVDIZMTEK-DOMZBBRYSA-N 1 1 311.397 3.361 20 10 DGCDMO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Cl)c(Cl)cc1O ZINC000866442678 622119214 /nfs/dbraw/zinc/11/92/14/622119214.db2.gz 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O=[N+]([O-])c1cc(C[NH+]2CCSCC2)ccc1N1CCCCC1 ZINC000768237376 622447272 /nfs/dbraw/zinc/44/72/72/622447272.db2.gz QCLFEKPOCFCTFY-UHFFFAOYSA-N 1 1 321.446 3.134 20 10 DGCDMO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000768336053 622450430 /nfs/dbraw/zinc/45/04/30/622450430.db2.gz GQRNKEIARCIHSD-UHFFFAOYSA-N 1 1 317.364 3.432 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000768336053 622450431 /nfs/dbraw/zinc/45/04/31/622450431.db2.gz GQRNKEIARCIHSD-UHFFFAOYSA-N 1 1 317.364 3.432 20 10 DGCDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439049 622455621 /nfs/dbraw/zinc/45/56/21/622455621.db2.gz YVTPZGPBKCAVSP-INIZCTEOSA-N 1 1 319.788 3.103 20 10 DGCDMO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000768426179 622455671 /nfs/dbraw/zinc/45/56/71/622455671.db2.gz PPAIWUJRXFNWEK-GOSISDBHSA-N 1 1 317.360 3.113 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000768426179 622455672 /nfs/dbraw/zinc/45/56/72/622455672.db2.gz PPAIWUJRXFNWEK-GOSISDBHSA-N 1 1 317.360 3.113 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+](C1CC1)C1CCCCC1)[C@@H](O)CO2 ZINC000768439229 622456069 /nfs/dbraw/zinc/45/60/69/622456069.db2.gz JBLKKOHSCPDWGZ-KRWDZBQOSA-N 1 1 303.402 3.115 20 10 DGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(OC)c(C)cc2O)C1(C)C ZINC000768445646 622457153 /nfs/dbraw/zinc/45/71/53/622457153.db2.gz HXFALVAPFCUJGB-IRXDYDNUSA-N 1 1 307.434 3.345 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1CN1CCCC1)CCCC2 ZINC000768447287 622457158 /nfs/dbraw/zinc/45/71/58/622457158.db2.gz OBVMPQUPNCNAOJ-IBGZPJMESA-N 1 1 314.473 3.331 20 10 DGCDMO Oc1cc2c(cc1CN1CCC[C@H]1C[NH+]1CCCC1)CCCC2 ZINC000768447287 622457160 /nfs/dbraw/zinc/45/71/60/622457160.db2.gz OBVMPQUPNCNAOJ-IBGZPJMESA-N 1 1 314.473 3.331 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)CCc2ccccc2F)cc1OC ZINC000768453605 622457571 /nfs/dbraw/zinc/45/75/71/622457571.db2.gz ZLRKVGOTEMKHRP-UHFFFAOYSA-N 1 1 319.376 3.223 20 10 DGCDMO COc1cc(O)c(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)cc1OC ZINC000768465284 622458316 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COc1cccc(CN2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1O ZINC000768913684 622484811 /nfs/dbraw/zinc/48/48/11/622484811.db2.gz PGUJOTPLZKHFEI-HLLBOEOZSA-N 1 1 318.461 3.238 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c(O)c1 ZINC000769146523 622502418 /nfs/dbraw/zinc/50/24/18/622502418.db2.gz IIRIGYFPKQBCNO-MRXNPFEDSA-N 1 1 319.426 3.426 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c(O)c1 ZINC000769146523 622502420 /nfs/dbraw/zinc/50/24/20/622502420.db2.gz IIRIGYFPKQBCNO-MRXNPFEDSA-N 1 1 319.426 3.426 20 10 DGCDMO CC(C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769403793 622525101 /nfs/dbraw/zinc/52/51/01/622525101.db2.gz WRLRICOHYXRHPI-SFHVURJKSA-N 1 1 302.462 3.391 20 10 DGCDMO CC1(C)C[N@@H+](Cc2cc(Br)ccc2O)CCS1 ZINC000769449086 622528631 /nfs/dbraw/zinc/52/86/31/622528631.db2.gz XGZFNSFNAIRMEA-UHFFFAOYSA-N 1 1 316.264 3.482 20 10 DGCDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769469633 622530531 /nfs/dbraw/zinc/53/05/31/622530531.db2.gz BWQKSDHFBSWOHL-HOCLYGCPSA-N 1 1 307.457 3.196 20 10 DGCDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769469633 622530536 /nfs/dbraw/zinc/53/05/36/622530536.db2.gz BWQKSDHFBSWOHL-HOCLYGCPSA-N 1 1 307.457 3.196 20 10 DGCDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769469633 622530537 /nfs/dbraw/zinc/53/05/37/622530537.db2.gz BWQKSDHFBSWOHL-HOCLYGCPSA-N 1 1 307.457 3.196 20 10 DGCDMO CCOc1cccc(C[N@H+](C)[C@@H]2C[C@H](OCC)C2(C)C)c1O ZINC000769472904 622531343 /nfs/dbraw/zinc/53/13/43/622531343.db2.gz KRVJSMPDFOSTOR-CVEARBPZSA-N 1 1 307.434 3.426 20 10 DGCDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1c(O)cccc1OC ZINC000769498067 622533985 /nfs/dbraw/zinc/53/39/85/622533985.db2.gz LGUHOFSHYWOMBH-MRXNPFEDSA-N 1 1 315.413 3.174 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)c1 ZINC000769499896 622534492 /nfs/dbraw/zinc/53/44/92/622534492.db2.gz SJSZLOGKUAZNEI-LJQANCHMSA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1ccc(O)c(CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000769499896 622534493 /nfs/dbraw/zinc/53/44/93/622534493.db2.gz SJSZLOGKUAZNEI-LJQANCHMSA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1ccc(O)c(CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000769499896 622534496 /nfs/dbraw/zinc/53/44/96/622534496.db2.gz SJSZLOGKUAZNEI-LJQANCHMSA-N 1 1 310.441 3.407 20 10 DGCDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc(C)c(C)cc1O ZINC000769499187 622534567 /nfs/dbraw/zinc/53/45/67/622534567.db2.gz YJOVVNAERUKSDY-MSOLQXFVSA-N 1 1 318.461 3.230 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000769500350 622534643 /nfs/dbraw/zinc/53/46/43/622534643.db2.gz XNEMTEWYTHSQPI-MRXNPFEDSA-N 1 1 304.434 3.059 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000769500350 622534645 /nfs/dbraw/zinc/53/46/45/622534645.db2.gz XNEMTEWYTHSQPI-MRXNPFEDSA-N 1 1 304.434 3.059 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000769548145 622539551 /nfs/dbraw/zinc/53/95/51/622539551.db2.gz FZGUDFPRWFUSQI-QAPCUYQASA-N 1 1 307.434 3.426 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c(O)c1 ZINC000770319685 622621310 /nfs/dbraw/zinc/62/13/10/622621310.db2.gz AMDIVHWPQDWJTC-YOEHRIQHSA-N 1 1 315.417 3.071 20 10 DGCDMO CN(C)c1cc[nH+]c(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000770455705 622635994 /nfs/dbraw/zinc/63/59/94/622635994.db2.gz QZPMHDBTFJURAD-UHFFFAOYSA-N 1 1 311.433 3.145 20 10 DGCDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000770510860 622641083 /nfs/dbraw/zinc/64/10/83/622641083.db2.gz SMZAGWLNYOBQQI-AWEZNQCLSA-N 1 1 320.433 3.129 20 10 DGCDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000770510861 622641466 /nfs/dbraw/zinc/64/14/66/622641466.db2.gz SMZAGWLNYOBQQI-CQSZACIVSA-N 1 1 320.433 3.129 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C3(C)CCCCC3)cc2)CC1 ZINC000771827674 622800649 /nfs/dbraw/zinc/80/06/49/622800649.db2.gz NRMLROPAWNSVHA-UHFFFAOYSA-N 1 1 301.478 3.251 20 10 DGCDMO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1c1ccco1 ZINC000872633532 622945768 /nfs/dbraw/zinc/94/57/68/622945768.db2.gz KLJRAAYYSONYKX-INIZCTEOSA-N 1 1 301.342 3.297 20 10 DGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]1c1ccco1 ZINC000872633532 622945773 /nfs/dbraw/zinc/94/57/73/622945773.db2.gz KLJRAAYYSONYKX-INIZCTEOSA-N 1 1 301.342 3.297 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)c(O)cc1C ZINC000872804618 622982201 /nfs/dbraw/zinc/98/22/01/622982201.db2.gz MGRASVFXGUQERK-AWEZNQCLSA-N 1 1 303.324 3.484 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c(O)cc1C ZINC000872804620 622982482 /nfs/dbraw/zinc/98/24/82/622982482.db2.gz MGRASVFXGUQERK-CQSZACIVSA-N 1 1 303.324 3.484 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000773745322 623066525 /nfs/dbraw/zinc/06/65/25/623066525.db2.gz AOCUEZRNGDBPNN-KRWDZBQOSA-N 1 1 310.445 3.312 20 10 DGCDMO CCN(C)c1ccc(CN(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000773754642 623068534 /nfs/dbraw/zinc/06/85/34/623068534.db2.gz RGIPRRRYHYQFJJ-GOSISDBHSA-N 1 1 303.494 3.449 20 10 DGCDMO CCN(C)c1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000773754642 623068539 /nfs/dbraw/zinc/06/85/39/623068539.db2.gz RGIPRRRYHYQFJJ-GOSISDBHSA-N 1 1 303.494 3.449 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000773811173 623074532 /nfs/dbraw/zinc/07/45/32/623074532.db2.gz WWOGFCBDMXVSPC-ZWKOTPCHSA-N 1 1 302.462 3.391 20 10 DGCDMO [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232169 623084465 /nfs/dbraw/zinc/08/44/65/623084465.db2.gz AYWJZTZZWRIQQR-INIZCTEOSA-N 1 1 308.853 3.448 20 10 DGCDMO CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000873249319 623090972 /nfs/dbraw/zinc/09/09/72/623090972.db2.gz KWGSCKACCPAQTI-NDMJEZRESA-N 1 1 302.340 3.189 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(Cl)c(Cl)cc1O ZINC000774137138 623111473 /nfs/dbraw/zinc/11/14/73/623111473.db2.gz VUIONIRYMVFXOT-NXEZZACHSA-N 1 1 303.233 3.444 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000774822026 623196246 /nfs/dbraw/zinc/19/62/46/623196246.db2.gz XNIOXJNNQBJQLC-UHFFFAOYSA-N 1 1 308.359 3.003 20 10 DGCDMO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000775023791 623217559 /nfs/dbraw/zinc/21/75/59/623217559.db2.gz MDIXZIKHQBMSCJ-AAEUAGOBSA-N 1 1 308.378 3.367 20 10 DGCDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000775202279 623240791 /nfs/dbraw/zinc/24/07/91/623240791.db2.gz UJVLDVGTEKRYEQ-LJQANCHMSA-N 1 1 318.461 3.164 20 10 DGCDMO CC[N@H+](Cc1ccccc1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775638927 623300564 /nfs/dbraw/zinc/30/05/64/623300564.db2.gz QGRXJWJAFBEADY-UHFFFAOYSA-N 1 1 323.484 3.461 20 10 DGCDMO CC[N@@H+](Cc1ccccc1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775638927 623300570 /nfs/dbraw/zinc/30/05/70/623300570.db2.gz QGRXJWJAFBEADY-UHFFFAOYSA-N 1 1 323.484 3.461 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccc(OC)c(F)c2)c1 ZINC000775644314 623302170 /nfs/dbraw/zinc/30/21/70/623302170.db2.gz GWCXDCDTYFYSMI-UHFFFAOYSA-N 1 1 305.349 3.181 20 10 DGCDMO COc1ccc(O)c(C[N@@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000775728445 623321373 /nfs/dbraw/zinc/32/13/73/623321373.db2.gz URHFYHAEQVEQIW-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000775728445 623321377 /nfs/dbraw/zinc/32/13/77/623321377.db2.gz URHFYHAEQVEQIW-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO C[C@H]([NH2+]Cc1nc(-c2ccccn2)no1)c1ccc(N(C)C)cc1 ZINC000775830049 623338673 /nfs/dbraw/zinc/33/86/73/623338673.db2.gz CAIWOYSABHPTDR-ZDUSSCGKSA-N 1 1 323.400 3.048 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H](C)CN1C ZINC000775987749 623361229 /nfs/dbraw/zinc/36/12/29/623361229.db2.gz WFESPXFEXNVRAX-SJORKVTESA-N 1 1 301.478 3.201 20 10 DGCDMO C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C[N@@H+]1C ZINC000775987749 623361235 /nfs/dbraw/zinc/36/12/35/623361235.db2.gz WFESPXFEXNVRAX-SJORKVTESA-N 1 1 301.478 3.201 20 10 DGCDMO C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C[N@H+]1C ZINC000775987749 623361244 /nfs/dbraw/zinc/36/12/44/623361244.db2.gz WFESPXFEXNVRAX-SJORKVTESA-N 1 1 301.478 3.201 20 10 DGCDMO c1cc(C[NH2+]Cc2nc3c(s2)CCCC3)cc2c1OCC2 ZINC000776342666 623414001 /nfs/dbraw/zinc/41/40/01/623414001.db2.gz KLQJOLUWTYKSGO-UHFFFAOYSA-N 1 1 300.427 3.247 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1O ZINC000777553538 623540572 /nfs/dbraw/zinc/54/05/72/623540572.db2.gz FEIJWUSTADMWPI-MRXNPFEDSA-N 1 1 305.418 3.100 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000876524889 623633587 /nfs/dbraw/zinc/63/35/87/623633587.db2.gz ZZBHFRSCOHQQJJ-UHFFFAOYSA-N 1 1 302.462 3.412 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1CCSCC1 ZINC000876551438 623641685 /nfs/dbraw/zinc/64/16/85/623641685.db2.gz RXPQCSXRDIUBRR-UHFFFAOYSA-N 1 1 320.502 3.098 20 10 DGCDMO Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c(O)c1 ZINC000876681876 623681410 /nfs/dbraw/zinc/68/14/10/623681410.db2.gz AVHKOHIZTVDWGX-SFHVURJKSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c(O)c1 ZINC000876681876 623681412 /nfs/dbraw/zinc/68/14/12/623681412.db2.gz AVHKOHIZTVDWGX-SFHVURJKSA-N 1 1 301.361 3.413 20 10 DGCDMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(C)cc3O)CCO2)c1 ZINC000876689378 623683245 /nfs/dbraw/zinc/68/32/45/623683245.db2.gz WZYGQIXGNSCUNP-IBGZPJMESA-N 1 1 313.397 3.283 20 10 DGCDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876732987 623692395 /nfs/dbraw/zinc/69/23/95/623692395.db2.gz LHCUIKNWLCOSHG-MRXNPFEDSA-N 1 1 302.462 3.412 20 10 DGCDMO Cc1cccc(O)c1C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000876813316 623714262 /nfs/dbraw/zinc/71/42/62/623714262.db2.gz BCCTXJSTLXOBKL-UHFFFAOYSA-N 1 1 313.323 3.085 20 10 DGCDMO COCC[N@@H+](CCc1ccccc1)Cc1cc(F)ccc1O ZINC000778995730 623718219 /nfs/dbraw/zinc/71/82/19/623718219.db2.gz CODPXDANDBMCTJ-UHFFFAOYSA-N 1 1 303.377 3.222 20 10 DGCDMO CCN1C[C@@H](C[N@@H+](C)Cc2ccccc2O)Oc2ccccc21 ZINC000778995552 623718676 /nfs/dbraw/zinc/71/86/76/623718676.db2.gz ZFUYRGKVLIHEAG-MRXNPFEDSA-N 1 1 312.413 3.112 20 10 DGCDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000779022906 623721244 /nfs/dbraw/zinc/72/12/44/623721244.db2.gz KXNLGJACEULDON-SFHVURJKSA-N 1 1 314.404 3.238 20 10 DGCDMO CN(Cc1ccccc1)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000779022906 623721250 /nfs/dbraw/zinc/72/12/50/623721250.db2.gz KXNLGJACEULDON-SFHVURJKSA-N 1 1 314.404 3.238 20 10 DGCDMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779022906 623721253 /nfs/dbraw/zinc/72/12/53/623721253.db2.gz KXNLGJACEULDON-SFHVURJKSA-N 1 1 314.404 3.238 20 10 DGCDMO OCC[N@@H+](CCc1ccccc1)Cc1c(O)cccc1Cl ZINC000126197718 623722684 /nfs/dbraw/zinc/72/26/84/623722684.db2.gz DLVSHTBMNMIHPI-UHFFFAOYSA-N 1 1 305.805 3.083 20 10 DGCDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779029614 623722919 /nfs/dbraw/zinc/72/29/19/623722919.db2.gz QNZFEGQRTDAALU-ZDUSSCGKSA-N 1 1 323.408 3.475 20 10 DGCDMO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cocn2)c1O ZINC000779039194 623723493 /nfs/dbraw/zinc/72/34/93/623723493.db2.gz AQZUJGYDBIVVJP-SECBINFHSA-N 1 1 311.179 3.302 20 10 DGCDMO Cc1ccc(CNc2ccc(C[NH+]3CCOCC3)cc2)c(O)c1 ZINC000876838105 623725437 /nfs/dbraw/zinc/72/54/37/623725437.db2.gz IFVSCCNGMHWQLG-UHFFFAOYSA-N 1 1 312.413 3.145 20 10 DGCDMO C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1O ZINC000779082176 623728273 /nfs/dbraw/zinc/72/82/73/623728273.db2.gz JVHABXLOSNWMBE-LBPRGKRZSA-N 1 1 314.360 3.353 20 10 DGCDMO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1O ZINC000779105769 623730099 /nfs/dbraw/zinc/73/00/99/623730099.db2.gz FJWCSVNYZVPOAW-KGLIPLIRSA-N 1 1 320.433 3.222 20 10 DGCDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877173972 623816951 /nfs/dbraw/zinc/81/69/51/623816951.db2.gz NCFKMYYAZWTAAZ-OAHLLOKOSA-N 1 1 305.418 3.112 20 10 DGCDMO Cc1ccc(C[NH2+][C@H](C)c2ncc(Br)cn2)c(O)c1 ZINC000877549943 623937272 /nfs/dbraw/zinc/93/72/72/623937272.db2.gz SIMVQJMXQCNMEE-SNVBAGLBSA-N 1 1 322.206 3.104 20 10 DGCDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877594567 623956089 /nfs/dbraw/zinc/95/60/89/623956089.db2.gz VGRHNYYHXOMJJL-OWCLPIDISA-N 1 1 302.462 3.124 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@H](CCF)C3)cc2)CC1 ZINC000877631937 623970591 /nfs/dbraw/zinc/97/05/91/623970591.db2.gz WSKXZAMPBDRXPX-MRXNPFEDSA-N 1 1 320.452 3.219 20 10 DGCDMO [O-]c1c(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)ccc(F)c1F ZINC000877653427 623978625 /nfs/dbraw/zinc/97/86/25/623978625.db2.gz KDYSHOYFOMDTQQ-GOSISDBHSA-N 1 1 319.351 3.154 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCCC4(CC4)CC3)cc2)CC1 ZINC000877661340 623981821 /nfs/dbraw/zinc/98/18/21/623981821.db2.gz ZWEAHEMOVOUVLO-UHFFFAOYSA-N 1 1 314.473 3.414 20 10 DGCDMO COc1c(O)c(C[NH2+][C@H](C)[C@]23C[C@H]2CCCC3)ccc1[N+](=O)[O-] ZINC000877685774 623991789 /nfs/dbraw/zinc/99/17/89/623991789.db2.gz GSVABFAMYVYAEA-NDGTYSDOSA-N 1 1 320.389 3.367 20 10 DGCDMO CCC1([NH+](C)C)CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000877690993 623993361 /nfs/dbraw/zinc/99/33/61/623993361.db2.gz XRCAXYGYJHUXKO-UHFFFAOYSA-N 1 1 314.832 3.491 20 10 DGCDMO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cccc(C)c1O)CC2 ZINC000877816492 624047765 /nfs/dbraw/zinc/04/77/65/624047765.db2.gz FWDKCOISERTJGQ-UHFFFAOYSA-N 1 1 310.397 3.217 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)c1O ZINC000877814238 624047872 /nfs/dbraw/zinc/04/78/72/624047872.db2.gz WJRDCPDUYXUKDW-CYBMUJFWSA-N 1 1 304.415 3.155 20 10 DGCDMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000877835853 624063640 /nfs/dbraw/zinc/06/36/40/624063640.db2.gz YJKLZVABRBPZBC-QGZVFWFLSA-N 1 1 302.462 3.270 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc3c2CCOC3)cc1 ZINC000877939286 624101872 /nfs/dbraw/zinc/10/18/72/624101872.db2.gz MEXQPAMYMKFXTC-UHFFFAOYSA-N 1 1 310.441 3.457 20 10 DGCDMO CO[C@H](C[NH2+]Cc1cc(C)cc(Br)c1O)C(C)C ZINC000781632118 624110175 /nfs/dbraw/zinc/11/01/75/624110175.db2.gz HCUPSBXBHBRAGW-CYBMUJFWSA-N 1 1 316.239 3.224 20 10 DGCDMO CC[C@@](C)(CCO)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000781635448 624110333 /nfs/dbraw/zinc/11/03/33/624110333.db2.gz NMHHXOBFCKTVAD-AWEZNQCLSA-N 1 1 316.239 3.104 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]C2(C)CCOCC2)c1 ZINC000781637930 624111831 /nfs/dbraw/zinc/11/18/31/624111831.db2.gz ZHLPGNAIRVIBBQ-UHFFFAOYSA-N 1 1 314.223 3.122 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000781897217 624166740 /nfs/dbraw/zinc/16/67/40/624166740.db2.gz PXSYHRAXGCVRRM-LLVKDONJSA-N 1 1 316.264 3.400 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000781897217 624166742 /nfs/dbraw/zinc/16/67/42/624166742.db2.gz PXSYHRAXGCVRRM-LLVKDONJSA-N 1 1 316.264 3.400 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1O ZINC000782291927 624234756 /nfs/dbraw/zinc/23/47/56/624234756.db2.gz SEZSFQUVVYOLSQ-INIZCTEOSA-N 1 1 312.413 3.169 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@H](C)[C@H](C)O1 ZINC000783539844 624363117 /nfs/dbraw/zinc/36/31/17/624363117.db2.gz DCEOFHVRXLQKBS-UPJWGTAASA-N 1 1 307.434 3.393 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000790930509 625717869 /nfs/dbraw/zinc/71/78/69/625717869.db2.gz DEMZBFYJMZODTP-CQSZACIVSA-N 1 1 313.825 3.301 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000790930509 625717873 /nfs/dbraw/zinc/71/78/73/625717873.db2.gz DEMZBFYJMZODTP-CQSZACIVSA-N 1 1 313.825 3.301 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1 ZINC000880053998 624769341 /nfs/dbraw/zinc/76/93/41/624769341.db2.gz VXRNZLMTWRYLAL-OAHLLOKOSA-N 1 1 316.367 3.296 20 10 DGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@H](CF)C3)cc2)CC1 ZINC000880299126 624902645 /nfs/dbraw/zinc/90/26/45/624902645.db2.gz CZKOHJRADJDECD-MRXNPFEDSA-N 1 1 306.425 3.093 20 10 DGCDMO CCN1CCC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1=O ZINC000787232899 624990912 /nfs/dbraw/zinc/99/09/12/624990912.db2.gz HZJSRFUSTUYJPD-UHFFFAOYSA-N 1 1 318.461 3.052 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1O ZINC000788607655 625226884 /nfs/dbraw/zinc/22/68/84/625226884.db2.gz LYFYOKCYXBNCON-BIMULSAOSA-N 1 1 303.324 3.365 20 10 DGCDMO COCCOC[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788666750 625238916 /nfs/dbraw/zinc/23/89/16/625238916.db2.gz SKVZDPZAYFFOOF-MNOVXSKESA-N 1 1 321.339 3.113 20 10 DGCDMO Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c(O)c1 ZINC000788783714 625265086 /nfs/dbraw/zinc/26/50/86/625265086.db2.gz NSFRFCACQFUTFO-IAGOWNOFSA-N 1 1 320.477 3.161 20 10 DGCDMO C[C@H]([NH2+]CCc1cnccn1)c1cccc(C(F)(F)F)c1O ZINC000788797281 625268762 /nfs/dbraw/zinc/26/87/62/625268762.db2.gz KRBNLORSWSEQMC-JTQLQIEISA-N 1 1 311.307 3.094 20 10 DGCDMO C[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)N1CCC[C@H](C)C1 ZINC000790948016 625720296 /nfs/dbraw/zinc/72/02/96/625720296.db2.gz CXXROVPITFBOCN-RYUDHWBXSA-N 1 1 314.832 3.395 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000790947583 625720373 /nfs/dbraw/zinc/72/03/73/625720373.db2.gz SYWBWOJZDKUKRL-JTQLQIEISA-N 1 1 323.751 3.114 20 10 DGCDMO OC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1CCCCC1 ZINC000790970504 625725805 /nfs/dbraw/zinc/72/58/05/625725805.db2.gz JXKSUFFABZWKOA-ZDUSSCGKSA-N 1 1 301.789 3.216 20 10 DGCDMO CO[C@H](CC[NH2+]Cc1c(O)ccc(Cl)c1F)C(F)(F)F ZINC000790990944 625732497 /nfs/dbraw/zinc/73/24/97/625732497.db2.gz IIIRWAFRLVNEAC-SNVBAGLBSA-N 1 1 315.694 3.242 20 10 DGCDMO CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1ccsc1 ZINC000882882561 625844848 /nfs/dbraw/zinc/84/48/48/625844848.db2.gz QJNNONVMQRRIDW-AWEZNQCLSA-N 1 1 312.385 3.124 20 10 DGCDMO CC(C)Oc1ncccc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000882894830 625849054 /nfs/dbraw/zinc/84/90/54/625849054.db2.gz ZAARUEGMMAIYBY-UHFFFAOYSA-N 1 1 308.328 3.142 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H](O)c1cccc(F)c1 ZINC000883027693 625901963 /nfs/dbraw/zinc/90/19/63/625901963.db2.gz KQPRPHDSKWXKNP-RFAUZJTJSA-N 1 1 311.303 3.021 20 10 DGCDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1O ZINC000792174127 625919785 /nfs/dbraw/zinc/91/97/85/625919785.db2.gz LRHISUKEEXDZRQ-RISCZKNCSA-N 1 1 315.816 3.414 20 10 DGCDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1O ZINC000792174127 625919788 /nfs/dbraw/zinc/91/97/88/625919788.db2.gz LRHISUKEEXDZRQ-RISCZKNCSA-N 1 1 315.816 3.414 20 10 DGCDMO CCc1ccc([C@@H](O)C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000883116843 625931638 /nfs/dbraw/zinc/93/16/38/625931638.db2.gz HTAJBYUIZPEMBT-INIZCTEOSA-N 1 1 307.340 3.056 20 10 DGCDMO CCn1ccc(C[N@@H+](C)Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC000792313011 625935695 /nfs/dbraw/zinc/93/56/95/625935695.db2.gz IGGAVENDFWMVDG-UHFFFAOYSA-N 1 1 304.365 3.187 20 10 DGCDMO COCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CC[C@@H](C)C1 ZINC000792465207 625947338 /nfs/dbraw/zinc/94/73/38/625947338.db2.gz LXSICOGRLVIKLE-WBMJQRKESA-N 1 1 323.408 3.371 20 10 DGCDMO COc1ccc([C@H]([NH2+]Cc2cc(F)cc(F)c2O)C2CC2)cn1 ZINC000883192102 625964039 /nfs/dbraw/zinc/96/40/39/625964039.db2.gz QUAHFTRSAZZISG-MRXNPFEDSA-N 1 1 320.339 3.315 20 10 DGCDMO CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1O ZINC000796735948 626078046 /nfs/dbraw/zinc/07/80/46/626078046.db2.gz BCHONCGTRYXNIP-WCQYABFASA-N 1 1 320.330 3.209 20 10 DGCDMO OC[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)CC1CCCC1 ZINC000798503686 626222175 /nfs/dbraw/zinc/22/21/75/626222175.db2.gz LMOMZLIRVOOKEV-GFCCVEGCSA-N 1 1 315.816 3.463 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](C)CCCOCc1ccccc1 ZINC000798964874 626263983 /nfs/dbraw/zinc/26/39/83/626263983.db2.gz QLEDZLOOMLGKKY-UHFFFAOYSA-N 1 1 315.413 3.440 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1O ZINC000799192229 626279863 /nfs/dbraw/zinc/27/98/63/626279863.db2.gz CZCAOKIASPNAPL-CYBMUJFWSA-N 1 1 314.360 3.118 20 10 DGCDMO C[C@H]1C[C@@H]([NH2+]Cc2ncnn2C(C)(C)C)c2c1c(F)ccc2O ZINC000800500070 626365000 /nfs/dbraw/zinc/36/50/00/626365000.db2.gz PPHKPLPTQWVXOE-CMPLNLGQSA-N 1 1 318.396 3.216 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@](F)(CO)C2)cc1 ZINC000802660493 626565838 /nfs/dbraw/zinc/56/58/38/626565838.db2.gz NDDRWJHWZXBAJB-GOSISDBHSA-N 1 1 308.441 3.219 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000802660494 626565916 /nfs/dbraw/zinc/56/59/16/626565916.db2.gz NDDRWJHWZXBAJB-SFHVURJKSA-N 1 1 308.441 3.219 20 10 DGCDMO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000883272091 626631428 /nfs/dbraw/zinc/63/14/28/626631428.db2.gz DBIZOTGPKFOGEA-GMTAPVOTSA-N 1 1 303.324 3.487 20 10 DGCDMO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccncc1 ZINC000883290979 626638103 /nfs/dbraw/zinc/63/81/03/626638103.db2.gz OPKFPNCSYMRLOZ-FQEVSTJZSA-N 1 1 324.472 3.074 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000840097466 626759405 /nfs/dbraw/zinc/75/94/05/626759405.db2.gz ZNKOCQVNSKPIAO-MRXNPFEDSA-N 1 1 312.413 3.331 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H]1C ZINC000840122428 626774428 /nfs/dbraw/zinc/77/44/28/626774428.db2.gz DBUFXZRWMOELNA-MLGOLLRUSA-N 1 1 307.434 3.252 20 10 DGCDMO C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000808194780 626805658 /nfs/dbraw/zinc/80/56/58/626805658.db2.gz ZWXHNSVGTQFUBT-BEFAXECRSA-N 1 1 314.473 3.330 20 10 DGCDMO C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000808194780 626805660 /nfs/dbraw/zinc/80/56/60/626805660.db2.gz ZWXHNSVGTQFUBT-BEFAXECRSA-N 1 1 314.473 3.330 20 10 DGCDMO CCOC1CC([N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000808214090 626806328 /nfs/dbraw/zinc/80/63/28/626806328.db2.gz XWJLIKVNVCLNEY-UHFFFAOYSA-N 1 1 307.434 3.395 20 10 DGCDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H](O)c1ccccc1 ZINC000808444722 626825209 /nfs/dbraw/zinc/82/52/09/626825209.db2.gz JUOSUVGWJJIVJB-HWPZZCPQSA-N 1 1 309.768 3.396 20 10 DGCDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2c(O)ccc3ccncc32)C12CCC2 ZINC000840138062 626825959 /nfs/dbraw/zinc/82/59/59/626825959.db2.gz CKOSAQLZHKUSFY-QZTJIDSGSA-N 1 1 312.413 3.330 20 10 DGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2nnc3n2CCCC3)c1O ZINC000808713711 626853087 /nfs/dbraw/zinc/85/30/87/626853087.db2.gz JRKFVHDZTLXOGG-NSHDSACASA-N 1 1 320.824 3.133 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000840144261 626859309 /nfs/dbraw/zinc/85/93/09/626859309.db2.gz ZOANRVONCCBQSQ-LJQANCHMSA-N 1 1 319.445 3.398 20 10 DGCDMO COc1cc(C[N@H+](Cc2cnn(C)c2)CC(C)C)c(O)cc1C ZINC000840157263 626879879 /nfs/dbraw/zinc/87/98/79/626879879.db2.gz UTMKCDXNJIENFS-UHFFFAOYSA-N 1 1 317.433 3.101 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c1 ZINC000134820923 626888603 /nfs/dbraw/zinc/88/86/03/626888603.db2.gz SCOHCOOEKUDALI-CYBMUJFWSA-N 1 1 316.367 3.077 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000840177114 626913578 /nfs/dbraw/zinc/91/35/78/626913578.db2.gz VCCOGCZQASZCNW-KRWDZBQOSA-N 1 1 319.445 3.396 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000840177114 626913580 /nfs/dbraw/zinc/91/35/80/626913580.db2.gz VCCOGCZQASZCNW-KRWDZBQOSA-N 1 1 319.445 3.396 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000809689146 626936482 /nfs/dbraw/zinc/93/64/82/626936482.db2.gz VTXYASSKHYWLHU-UHFFFAOYSA-N 1 1 300.358 3.283 20 10 DGCDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000809692151 626937270 /nfs/dbraw/zinc/93/72/70/626937270.db2.gz XZBUVUCSEATNQR-INIZCTEOSA-N 1 1 320.433 3.110 20 10 DGCDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc(Cl)cc(C)c4O)[C@H]1[C@H]3C2 ZINC000809698526 626938248 /nfs/dbraw/zinc/93/82/48/626938248.db2.gz ZLHXRWJOPZGNSC-AQYSPBEXSA-N 1 1 307.821 3.209 20 10 DGCDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809718725 626941319 /nfs/dbraw/zinc/94/13/19/626941319.db2.gz XMFGMLXXRRNRLY-LLVKDONJSA-N 1 1 304.356 3.238 20 10 DGCDMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(C)c1O ZINC000809722553 626942073 /nfs/dbraw/zinc/94/20/73/626942073.db2.gz BQCWKCHJPGHARQ-MRXNPFEDSA-N 1 1 320.433 3.143 20 10 DGCDMO c1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000809728552 626942399 /nfs/dbraw/zinc/94/23/99/626942399.db2.gz BCAMSVWGQIIQTM-FQEVSTJZSA-N 1 1 323.440 3.255 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)C(F)(F)F)cc1F ZINC000809750552 626946703 /nfs/dbraw/zinc/94/67/03/626946703.db2.gz AAEMGZQFFNHYGV-AWEZNQCLSA-N 1 1 322.346 3.027 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](O)C(F)(F)F)cc1F ZINC000809750552 626946706 /nfs/dbraw/zinc/94/67/06/626946706.db2.gz AAEMGZQFFNHYGV-AWEZNQCLSA-N 1 1 322.346 3.027 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(O)c1 ZINC000809758690 626947968 /nfs/dbraw/zinc/94/79/68/626947968.db2.gz TXVYTQMQRBFDGZ-HOTGVXAUSA-N 1 1 319.445 3.430 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758538 626948055 /nfs/dbraw/zinc/94/80/55/626948055.db2.gz PJIYNRGKYJAHJC-LSDHHAIUSA-N 1 1 305.418 3.039 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C[C@@H]2C[C@]23CCOC3)C2CC2)cc1 ZINC000885960773 627070884 /nfs/dbraw/zinc/07/08/84/627070884.db2.gz PHBWCFSUJZJTAL-LPHOPBHVSA-N 1 1 300.446 3.144 20 10 DGCDMO COc1ccccc1OCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886491896 627152284 /nfs/dbraw/zinc/15/22/84/627152284.db2.gz VUZVEZLEMXXEIY-LBPRGKRZSA-N 1 1 305.349 3.270 20 10 DGCDMO CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886516743 627155377 /nfs/dbraw/zinc/15/53/77/627155377.db2.gz WZYPUSDYXMVYLO-CYBMUJFWSA-N 1 1 322.424 3.219 20 10 DGCDMO C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1c(O)cccc1F ZINC000886522758 627156712 /nfs/dbraw/zinc/15/67/12/627156712.db2.gz QIWYIJOLDYAFDG-LLVKDONJSA-N 1 1 312.385 3.097 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1c(O)cccc1F ZINC000886530518 627157710 /nfs/dbraw/zinc/15/77/10/627157710.db2.gz LWLCOXQIUXBYTG-DZGCQCFKSA-N 1 1 303.377 3.348 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)[C@@H](O)c1cccc(F)c1 ZINC000886550157 627161482 /nfs/dbraw/zinc/16/14/82/627161482.db2.gz TUBJWYYJKLYKPK-WVQJBOLRSA-N 1 1 307.340 3.443 20 10 DGCDMO C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1c(O)cccc1F ZINC000886555236 627162278 /nfs/dbraw/zinc/16/22/78/627162278.db2.gz NYEDAIMXKTXIBH-KZULUSFZSA-N 1 1 301.361 3.016 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1c(O)cccc1F ZINC000886556727 627162384 /nfs/dbraw/zinc/16/23/84/627162384.db2.gz JAMMURQHAOBKMI-WBMJQRKESA-N 1 1 300.377 3.369 20 10 DGCDMO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886557124 627162909 /nfs/dbraw/zinc/16/29/09/627162909.db2.gz TUOAJIJRGFXKIJ-NSHDSACASA-N 1 1 305.397 3.240 20 10 DGCDMO COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886587934 627168473 /nfs/dbraw/zinc/16/84/73/627168473.db2.gz IMETYTWDLLCPTI-CHWSQXEVSA-N 1 1 307.365 3.423 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1c(O)cccc1F ZINC000886601604 627171343 /nfs/dbraw/zinc/17/13/43/627171343.db2.gz XNZMRRNJLJKNKL-WDEREUQCSA-N 1 1 312.385 3.095 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)c1c(O)cccc1F ZINC000886631712 627177257 /nfs/dbraw/zinc/17/72/57/627177257.db2.gz UTYMPLHYOQSJHI-ZJNRKIDTSA-N 1 1 303.377 3.478 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1c(O)cccc1F ZINC000886641984 627178524 /nfs/dbraw/zinc/17/85/24/627178524.db2.gz WXYGMMAJRXSHRQ-WFASDCNBSA-N 1 1 301.361 3.323 20 10 DGCDMO C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1c(O)cccc1F ZINC000886649474 627180678 /nfs/dbraw/zinc/18/06/78/627180678.db2.gz BRADTHWUDGQRJW-SSDOTTSWSA-N 1 1 317.229 3.354 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1)c1c(O)cccc1F ZINC000886769544 627202790 /nfs/dbraw/zinc/20/27/90/627202790.db2.gz WUKFAFRYIWBRRQ-REZKGXPESA-N 1 1 323.408 3.155 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811512616 627285278 /nfs/dbraw/zinc/28/52/78/627285278.db2.gz HEYJKAJGRRSXCB-INIZCTEOSA-N 1 1 324.424 3.038 20 10 DGCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C1CC1 ZINC000811513843 627286549 /nfs/dbraw/zinc/28/65/49/627286549.db2.gz SGICBWBTWREUBM-SFHVURJKSA-N 1 1 318.436 3.283 20 10 DGCDMO COc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(O)cc1C ZINC000811792390 627322597 /nfs/dbraw/zinc/32/25/97/627322597.db2.gz OHTLQGPXFNAZAP-SJLPKXTDSA-N 1 1 317.429 3.243 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](n3cc(Cl)cn3)C1)CCC2 ZINC000811802363 627322731 /nfs/dbraw/zinc/32/27/31/627322731.db2.gz XGDVQJYHICFYIF-INIZCTEOSA-N 1 1 317.820 3.178 20 10 DGCDMO Cc1ccc(O)c(C[NH2+][C@H](C)c2ncc(Br)cn2)c1 ZINC000814301683 627557902 /nfs/dbraw/zinc/55/79/02/627557902.db2.gz BHGPXEMTEMWXNZ-SNVBAGLBSA-N 1 1 322.206 3.104 20 10 DGCDMO Cc1cc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)ccc1N(C)C ZINC000815052824 627619651 /nfs/dbraw/zinc/61/96/51/627619651.db2.gz CFQQJZYMMLPDJG-QGZVFWFLSA-N 1 1 312.457 3.444 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)ccc1N(C)C ZINC000815083901 627624721 /nfs/dbraw/zinc/62/47/21/627624721.db2.gz IIGPWNXWMAFHNR-FUHWJXTLSA-N 1 1 304.478 3.290 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)cc1 ZINC000815232209 627648144 /nfs/dbraw/zinc/64/81/44/627648144.db2.gz TXNQZNSPNCJMPZ-IBGZPJMESA-N 1 1 304.478 3.373 20 10 DGCDMO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC000924647980 627662217 /nfs/dbraw/zinc/66/22/17/627662217.db2.gz KCHCOHMQEGVFSP-AWEZNQCLSA-N 1 1 313.449 3.057 20 10 DGCDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)on1 ZINC000924646323 627662281 /nfs/dbraw/zinc/66/22/81/627662281.db2.gz AJGJGZWEXXTEFF-CYBMUJFWSA-N 1 1 301.390 3.134 20 10 DGCDMO C[C@@H]([NH2+]CCc1ccn(C)n1)c1cccc(C(F)(F)F)c1O ZINC000815616297 627691264 /nfs/dbraw/zinc/69/12/64/627691264.db2.gz KWEVFMKHQGGTJM-SNVBAGLBSA-N 1 1 313.323 3.038 20 10 DGCDMO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1cccc(C(F)(F)F)c1O ZINC000815620211 627691628 /nfs/dbraw/zinc/69/16/28/627691628.db2.gz KKVCTNYBXVFGKK-JGVFFNPUSA-N 1 1 313.266 3.078 20 10 DGCDMO Cc1nnsc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815629216 627693015 /nfs/dbraw/zinc/69/30/15/627693015.db2.gz XMBHFZBXDOHOIU-SSDOTTSWSA-N 1 1 317.336 3.422 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000925784224 627794810 /nfs/dbraw/zinc/79/48/10/627794810.db2.gz IFRALTFEQQYBRU-UHIISALHSA-N 1 1 316.367 3.307 20 10 DGCDMO Oc1c(C[N@H+]2CCCC[C@H]2C2OCCO2)ccc2ccccc21 ZINC000816501226 627797720 /nfs/dbraw/zinc/79/77/20/627797720.db2.gz BBNMLBQZODVXPQ-KRWDZBQOSA-N 1 1 313.397 3.273 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000816527981 627802729 /nfs/dbraw/zinc/80/27/29/627802729.db2.gz HORLPRAEAPKXED-UHFFFAOYSA-N 1 1 323.751 3.246 20 10 DGCDMO C[C@H](CN1CCC[C@H](C)C1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816538217 627803894 /nfs/dbraw/zinc/80/38/94/627803894.db2.gz JJCPUWWQDWKWGT-NWDGAFQWSA-N 1 1 314.832 3.395 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000816545493 627805245 /nfs/dbraw/zinc/80/52/45/627805245.db2.gz SGGPBQUEGDJXES-UHFFFAOYSA-N 1 1 307.752 3.409 20 10 DGCDMO C[C@@](CO)([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816550075 627806205 /nfs/dbraw/zinc/80/62/05/627806205.db2.gz HTIVMHFHGJKBFE-INIZCTEOSA-N 1 1 309.768 3.182 20 10 DGCDMO CC1(C)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@@H]2CCCO[C@H]21 ZINC000816555143 627806766 /nfs/dbraw/zinc/80/67/66/627806766.db2.gz VJZZNZPZNUWYFT-COLVAYQJSA-N 1 1 313.800 3.478 20 10 DGCDMO Cc1cccc([C@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816556609 627807435 /nfs/dbraw/zinc/80/74/35/627807435.db2.gz OMRNXLOWWZUPHS-MRXNPFEDSA-N 1 1 309.768 3.316 20 10 DGCDMO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(Cl)c(F)cc1O ZINC000816608641 627814490 /nfs/dbraw/zinc/81/44/90/627814490.db2.gz FPDHZYCWPNUNEN-YPMHNXCESA-N 1 1 312.816 3.243 20 10 DGCDMO CCOc1cccc(CN2CC[N@@H+](C)Cc3ccccc32)c1O ZINC000816617886 627815182 /nfs/dbraw/zinc/81/51/82/627815182.db2.gz KNWKZAYXWXNNTR-UHFFFAOYSA-N 1 1 312.413 3.243 20 10 DGCDMO CCCCN(C)C[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816615098 627815704 /nfs/dbraw/zinc/81/57/04/627815704.db2.gz MWSMQZUHBNSBKC-LLVKDONJSA-N 1 1 302.821 3.395 20 10 DGCDMO C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)Cc1ccccc1 ZINC000816624586 627816154 /nfs/dbraw/zinc/81/61/54/627816154.db2.gz AFJRTBLENVQVHG-INIZCTEOSA-N 1 1 305.805 3.081 20 10 DGCDMO COc1c(O)c(C[NH2+]C2CC(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000816641653 627818002 /nfs/dbraw/zinc/81/80/02/627818002.db2.gz AWXIZFKYCQDJEL-UHFFFAOYSA-N 1 1 308.378 3.223 20 10 DGCDMO CC(C)[C@]1(CO)CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816662580 627821835 /nfs/dbraw/zinc/82/18/35/627821835.db2.gz SBRIQYCSUSYCKH-MRXNPFEDSA-N 1 1 315.816 3.415 20 10 DGCDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816662580 627821837 /nfs/dbraw/zinc/82/18/37/627821837.db2.gz SBRIQYCSUSYCKH-MRXNPFEDSA-N 1 1 315.816 3.415 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCOC[C@H]2CC2CCC2)c(O)c1 ZINC000816667906 627823683 /nfs/dbraw/zinc/82/36/83/627823683.db2.gz ZIQCXVOLHMUEIO-MRXNPFEDSA-N 1 1 305.418 3.182 20 10 DGCDMO C[C@@H](NCc1ccc(N(C)C2CCCCC2)cc1)C1C[NH2+]C1 ZINC000817897183 627955572 /nfs/dbraw/zinc/95/55/72/627955572.db2.gz GQBLSVRHXYNYIH-OAHLLOKOSA-N 1 1 301.478 3.153 20 10 DGCDMO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817898592 627956354 /nfs/dbraw/zinc/95/63/54/627956354.db2.gz JNDGDXOZNSQFKH-UTKZUKDTSA-N 1 1 323.484 3.335 20 10 DGCDMO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000817898592 627956356 /nfs/dbraw/zinc/95/63/56/627956356.db2.gz JNDGDXOZNSQFKH-UTKZUKDTSA-N 1 1 323.484 3.335 20 10 DGCDMO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC000817938254 627966354 /nfs/dbraw/zinc/96/63/54/627966354.db2.gz HMQFERYQQXLXLG-SGTLLEGYSA-N 1 1 319.399 3.381 20 10 DGCDMO CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817937636 627966420 /nfs/dbraw/zinc/96/64/20/627966420.db2.gz YQWXOYPCORJSPA-CYBMUJFWSA-N 1 1 302.340 3.204 20 10 DGCDMO Cc1cccc2c1CC[C@H]2NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938383 627966431 /nfs/dbraw/zinc/96/64/31/627966431.db2.gz JQZDRKURRBBHRH-VQTJNVASSA-N 1 1 309.457 3.338 20 10 DGCDMO Cc1cc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(C)o1 ZINC000817939214 627967383 /nfs/dbraw/zinc/96/73/83/627967383.db2.gz AMMIEAOHFFGXKI-FZKQIMNGSA-N 1 1 301.434 3.313 20 10 DGCDMO CCc1cccnc1[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817942460 627969986 /nfs/dbraw/zinc/96/99/86/627969986.db2.gz OYBROFNUUJBTON-KSSFIOAISA-N 1 1 312.461 3.061 20 10 DGCDMO C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Br)ccc1[O-] ZINC000817947149 627970502 /nfs/dbraw/zinc/97/05/02/627970502.db2.gz LJEKGONJSRFTDL-OIKLOGQESA-N 1 1 313.239 3.075 20 10 DGCDMO N[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)C1CC1 ZINC000817965335 627977823 /nfs/dbraw/zinc/97/78/23/627977823.db2.gz OQWWYBPTDNICTF-OALUTQOASA-N 1 1 310.441 3.393 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(F)cc1O ZINC000817975866 627980740 /nfs/dbraw/zinc/98/07/40/627980740.db2.gz YZGWWVNJTBGFNT-SJKOYZFVSA-N 1 1 300.377 3.069 20 10 DGCDMO C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000817976241 627980811 /nfs/dbraw/zinc/98/08/11/627980811.db2.gz IRWSESSRMOUQMG-MNOVXSKESA-N 1 1 315.255 3.323 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(F)cc1O ZINC000817975865 627981028 /nfs/dbraw/zinc/98/10/28/627981028.db2.gz YZGWWVNJTBGFNT-SJCJKPOMSA-N 1 1 300.377 3.069 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccc(F)cc1O ZINC000926922757 627982091 /nfs/dbraw/zinc/98/20/91/627982091.db2.gz RRRRPMUGMGXQEN-ZYHUDNBSSA-N 1 1 320.330 3.209 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)ccc1[O-] ZINC000817985295 627983042 /nfs/dbraw/zinc/98/30/42/627983042.db2.gz BYIGQUJTXMWZDJ-FIRUKDTASA-N 1 1 308.853 3.474 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccc(F)cc1O ZINC000926929665 627984200 /nfs/dbraw/zinc/98/42/00/627984200.db2.gz YYNUBNCXTPMQKZ-QMMMGPOBSA-N 1 1 317.286 3.134 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(F)cc1O ZINC000927015940 627998385 /nfs/dbraw/zinc/99/83/85/627998385.db2.gz RTKVIWWDSMNCFA-GDBMZVCRSA-N 1 1 323.408 3.300 20 10 DGCDMO CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C)c3ccc(F)cc3O)C2)n1 ZINC000927054129 628003153 /nfs/dbraw/zinc/00/31/53/628003153.db2.gz USHVZNAZUFWTHT-LOWVWBTDSA-N 1 1 319.380 3.464 20 10 DGCDMO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc(C)c(C)cc2O)s1 ZINC000818231505 628007139 /nfs/dbraw/zinc/00/71/39/628007139.db2.gz LKMGULMARNBNEG-LLVKDONJSA-N 1 1 320.414 3.103 20 10 DGCDMO CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1cnn(C)c1 ZINC000927069169 628007459 /nfs/dbraw/zinc/00/74/59/628007459.db2.gz LKKLJLGBNNQOSW-BONVTDFDSA-N 1 1 309.360 3.452 20 10 DGCDMO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)s1 ZINC000818357039 628017901 /nfs/dbraw/zinc/01/79/01/628017901.db2.gz UUWCWMHQCBWRPC-QWRGUYRKSA-N 1 1 320.414 3.356 20 10 DGCDMO C[C@@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccc(N(C)C)cc1 ZINC000927117856 628019597 /nfs/dbraw/zinc/01/95/97/628019597.db2.gz QUAUNGCZBSGKIK-GFCCVEGCSA-N 1 1 317.458 3.133 20 10 DGCDMO Cc1cc([O-])c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000818431812 628022557 /nfs/dbraw/zinc/02/25/57/628022557.db2.gz UDGXJCXKDIPMBO-ZDUSSCGKSA-N 1 1 308.853 3.318 20 10 DGCDMO Cc1cc([O-])c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000818431812 628022560 /nfs/dbraw/zinc/02/25/60/628022560.db2.gz UDGXJCXKDIPMBO-ZDUSSCGKSA-N 1 1 308.853 3.318 20 10 DGCDMO C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1cc(F)cc(F)c1O ZINC000927139249 628024615 /nfs/dbraw/zinc/02/46/15/628024615.db2.gz JYBYVRCGTINYCZ-LWNYNHHKSA-N 1 1 319.351 3.369 20 10 DGCDMO C[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1c(O)cccc1F ZINC000927155882 628028193 /nfs/dbraw/zinc/02/81/93/628028193.db2.gz LYIHXCICMMVEMW-ZUEVXXBESA-N 1 1 315.388 3.275 20 10 DGCDMO COc1ccc(N2CC[NH+](Cc3cc(C)cc(C)n3)CC2)cc1 ZINC000929152949 628217424 /nfs/dbraw/zinc/21/74/24/628217424.db2.gz KEQYWSJXHHWDHQ-UHFFFAOYSA-N 1 1 311.429 3.029 20 10 DGCDMO CC[C@@](C)(C(=O)OC)[N@H+](Cc1cc(C)ccc1O)CC1CC1 ZINC000822503542 628458309 /nfs/dbraw/zinc/45/83/09/628458309.db2.gz IHWYNCNYAVTNSX-SFHVURJKSA-N 1 1 305.418 3.254 20 10 DGCDMO Oc1ccccc1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000822504554 628458720 /nfs/dbraw/zinc/45/87/20/628458720.db2.gz VENXCHKLVGLCRJ-PKOBYXMFSA-N 1 1 308.425 3.099 20 10 DGCDMO Oc1ccccc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000822504554 628458722 /nfs/dbraw/zinc/45/87/22/628458722.db2.gz VENXCHKLVGLCRJ-PKOBYXMFSA-N 1 1 308.425 3.099 20 10 DGCDMO Oc1ccccc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000822504554 628458724 /nfs/dbraw/zinc/45/87/24/628458724.db2.gz VENXCHKLVGLCRJ-PKOBYXMFSA-N 1 1 308.425 3.099 20 10 DGCDMO C[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1ccccc1O ZINC000824593157 628675381 /nfs/dbraw/zinc/67/53/81/628675381.db2.gz LSJWYOSLUGQTPX-GOSISDBHSA-N 1 1 313.397 3.192 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1Cl ZINC000824600986 628675703 /nfs/dbraw/zinc/67/57/03/628675703.db2.gz FKGNPOCGLHAGAB-CYBMUJFWSA-N 1 1 319.836 3.467 20 10 DGCDMO Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000824636837 628679374 /nfs/dbraw/zinc/67/93/74/628679374.db2.gz UHQMZMYDOUEEAK-IEBWSBKVSA-N 1 1 315.388 3.001 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1Cl ZINC000824690091 628684078 /nfs/dbraw/zinc/68/40/78/628684078.db2.gz YTAZESVNPUPRRM-AWEZNQCLSA-N 1 1 305.809 3.388 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000824696330 628684418 /nfs/dbraw/zinc/68/44/18/628684418.db2.gz LJXXNAKDVQSPEJ-OTWHNJEPSA-N 1 1 302.462 3.268 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1Cl ZINC000824769685 628691245 /nfs/dbraw/zinc/69/12/45/628691245.db2.gz XXRCXJJOJYCTHE-AAEUAGOBSA-N 1 1 323.742 3.242 20 10 DGCDMO Oc1ccccc1C[N@@H+](Cc1cnc2n1CCC2)C1CCCC1 ZINC000824778256 628692733 /nfs/dbraw/zinc/69/27/33/628692733.db2.gz RDNGEGKBOBZLMQ-UHFFFAOYSA-N 1 1 311.429 3.480 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C(C)(C)C3CCC3)cc2)CC1 ZINC000824886608 628702933 /nfs/dbraw/zinc/70/29/33/628702933.db2.gz FXFFWSXKGTVEEW-UHFFFAOYSA-N 1 1 301.478 3.107 20 10 DGCDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1O ZINC000824889511 628703130 /nfs/dbraw/zinc/70/31/30/628703130.db2.gz QMUNJTBQISVGPW-LBPRGKRZSA-N 1 1 316.264 3.482 20 10 DGCDMO COc1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)C)cc1)CCO2 ZINC000824909011 628704787 /nfs/dbraw/zinc/70/47/87/628704787.db2.gz HNAGWKPRSDHCRO-UHFFFAOYSA-N 1 1 312.413 3.156 20 10 DGCDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)cc1)CCO2 ZINC000824909011 628704790 /nfs/dbraw/zinc/70/47/90/628704790.db2.gz HNAGWKPRSDHCRO-UHFFFAOYSA-N 1 1 312.413 3.156 20 10 DGCDMO COc1cc(O)c(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1OC ZINC000824941588 628709413 /nfs/dbraw/zinc/70/94/13/628709413.db2.gz PVIOLQCYPLBGTG-KBXCAEBGSA-N 1 1 303.402 3.030 20 10 DGCDMO CCn1cc([C@@H](C)[NH2+]Cc2cccc(Br)c2O)cn1 ZINC000825129716 628731366 /nfs/dbraw/zinc/73/13/66/628731366.db2.gz BKTTZBCXQMUJEZ-SNVBAGLBSA-N 1 1 324.222 3.222 20 10 DGCDMO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000825284229 628746873 /nfs/dbraw/zinc/74/68/73/628746873.db2.gz ICEYJYSBZAVNON-CHWSQXEVSA-N 1 1 314.223 3.202 20 10 DGCDMO CC1(C)CCCN1CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000825331451 628750687 /nfs/dbraw/zinc/75/06/87/628750687.db2.gz GKWUONFEVXUEFA-UHFFFAOYSA-N 1 1 300.805 3.149 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](CCCO)C2)cc1F ZINC000825337698 628751600 /nfs/dbraw/zinc/75/16/00/628751600.db2.gz IJFWDWOLJKCRPZ-OAHLLOKOSA-N 1 1 308.441 3.266 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](C)CCCNC(=O)C2CCC2)cc1Cl ZINC000825699620 628786817 /nfs/dbraw/zinc/78/68/17/628786817.db2.gz WFCMSHXVNCTNPF-UHFFFAOYSA-N 1 1 324.852 3.092 20 10 DGCDMO CCCC[N@@H+](CCCO)Cc1ccc(Br)cc1O ZINC000825927870 628811033 /nfs/dbraw/zinc/81/10/33/628811033.db2.gz ISOAGGXIMYQOPU-UHFFFAOYSA-N 1 1 316.239 3.139 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H](CO)CC2)c(O)c(C(C)(C)C)c1 ZINC000826017534 628820415 /nfs/dbraw/zinc/82/04/15/628820415.db2.gz SFEPLLXURZBJSQ-AWEZNQCLSA-N 1 1 321.461 3.293 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000826810802 628889733 /nfs/dbraw/zinc/88/97/33/628889733.db2.gz ZMMRBKRKMDCLPZ-UHFFFAOYSA-N 1 1 322.449 3.436 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000827151695 628928807 /nfs/dbraw/zinc/92/88/07/628928807.db2.gz IGLJGNMTAUVSHJ-JUGMSXHOSA-N 1 1 300.446 3.003 20 10 DGCDMO CN(CCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000827179045 628932861 /nfs/dbraw/zinc/93/28/61/628932861.db2.gz OZWIRGDGKGPIMI-LJQANCHMSA-N 1 1 310.441 3.141 20 10 DGCDMO C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2ccccc2O)C1 ZINC000827179045 628932863 /nfs/dbraw/zinc/93/28/63/628932863.db2.gz OZWIRGDGKGPIMI-LJQANCHMSA-N 1 1 310.441 3.141 20 10 DGCDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(Cc2ccccc2O)C1 ZINC000827179045 628932864 /nfs/dbraw/zinc/93/28/64/628932864.db2.gz OZWIRGDGKGPIMI-LJQANCHMSA-N 1 1 310.441 3.141 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2=CCCOC2)cc1F ZINC000827185264 628933916 /nfs/dbraw/zinc/93/39/16/628933916.db2.gz QABLGZCHWFRRMO-UHFFFAOYSA-N 1 1 306.425 3.450 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC(F)(F)C1 ZINC000827336767 628950837 /nfs/dbraw/zinc/95/08/37/628950837.db2.gz MHTKKSFDSMTQRG-INIZCTEOSA-N 1 1 324.415 3.390 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000827377064 628953854 /nfs/dbraw/zinc/95/38/54/628953854.db2.gz OOTWAYUAZDXYFA-PBHICJAKSA-N 1 1 305.418 3.182 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1O ZINC000827377356 628954547 /nfs/dbraw/zinc/95/45/47/628954547.db2.gz WOOLTCXEBWLCGW-GDBMZVCRSA-N 1 1 305.418 3.182 20 10 DGCDMO CC(C)[C@H](O)[C@H]([NH2+]Cc1cccc(F)c1O)c1ccccc1 ZINC000827526506 628968016 /nfs/dbraw/zinc/96/80/16/628968016.db2.gz MKTDYLXUPWSHIM-SJORKVTESA-N 1 1 303.377 3.379 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)cc1F ZINC000827698653 628983982 /nfs/dbraw/zinc/98/39/82/628983982.db2.gz AEJABOGYEVTOMX-KSSFIOAISA-N 1 1 308.441 3.122 20 10 DGCDMO Oc1cccc(Cl)c1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000827850712 628997285 /nfs/dbraw/zinc/99/72/85/628997285.db2.gz QBPHQJJGSBHBSF-CALCHBBNSA-N 1 1 307.821 3.438 20 10 DGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000827944415 629006536 /nfs/dbraw/zinc/00/65/36/629006536.db2.gz FBLYELIGLHERBK-LBPRGKRZSA-N 1 1 315.392 3.295 20 10 DGCDMO CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)c(O)c1 ZINC000827962067 629008752 /nfs/dbraw/zinc/00/87/52/629008752.db2.gz FKKHQPLMAKTEEG-BDJLRTHQSA-N 1 1 315.360 3.035 20 10 DGCDMO CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)c(O)c1 ZINC000827962067 629008754 /nfs/dbraw/zinc/00/87/54/629008754.db2.gz FKKHQPLMAKTEEG-BDJLRTHQSA-N 1 1 315.360 3.035 20 10 DGCDMO C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1O ZINC000827973156 629009671 /nfs/dbraw/zinc/00/96/71/629009671.db2.gz JDTVPRLFKHPCNR-LSDHHAIUSA-N 1 1 316.445 3.224 20 10 DGCDMO CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000827978666 629011085 /nfs/dbraw/zinc/01/10/85/629011085.db2.gz ZUJHDTIMXDPTEE-KSSFIOAISA-N 1 1 312.413 3.262 20 10 DGCDMO CCOc1cccc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c1O ZINC000828013603 629014021 /nfs/dbraw/zinc/01/40/21/629014021.db2.gz FIUGIVFKJNWDLU-UHFFFAOYSA-N 1 1 315.417 3.099 20 10 DGCDMO CCCC[N@H+](Cc1cn(CC2CC2)nn1)Cc1ccccc1O ZINC000829515944 629165429 /nfs/dbraw/zinc/16/54/29/629165429.db2.gz KGXPZYUKBARQHR-UHFFFAOYSA-N 1 1 314.433 3.196 20 10 DGCDMO CCCC[N@@H+](Cc1cn(CC2CC2)nn1)Cc1ccccc1O ZINC000829515944 629165432 /nfs/dbraw/zinc/16/54/32/629165432.db2.gz KGXPZYUKBARQHR-UHFFFAOYSA-N 1 1 314.433 3.196 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCC2(F)F)c1 ZINC000834885417 629797682 /nfs/dbraw/zinc/79/76/82/629797682.db2.gz KNQJSNDTLOTUDY-PWSUYJOCSA-N 1 1 313.344 3.265 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc(F)cc1O ZINC000834903102 629803788 /nfs/dbraw/zinc/80/37/88/629803788.db2.gz IGRUHGSZENKZNQ-WPKBUWHJSA-N 1 1 316.376 3.497 20 10 DGCDMO CN(C)c1ccc(/C=C/CNCC2([NH+](C)C)CCCC2)cc1 ZINC000835033353 629829645 /nfs/dbraw/zinc/82/96/45/629829645.db2.gz FRIUTFPXVQAKIE-BQYQJAHWSA-N 1 1 301.478 3.230 20 10 DGCDMO CC[N@@H+]1CCC[C@@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835035247 629830264 /nfs/dbraw/zinc/83/02/64/629830264.db2.gz FADIEOGVTHEURB-YEODSOHDSA-N 1 1 301.478 3.087 20 10 DGCDMO CC[N@H+]1CCC[C@@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835035247 629830265 /nfs/dbraw/zinc/83/02/65/629830265.db2.gz FADIEOGVTHEURB-YEODSOHDSA-N 1 1 301.478 3.087 20 10 DGCDMO COC(=O)[C@@H](C)C[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835043941 629834126 /nfs/dbraw/zinc/83/41/26/629834126.db2.gz CRCRDRPNWNFZCW-YVACAVLKSA-N 1 1 316.445 3.039 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000835049013 629835913 /nfs/dbraw/zinc/83/59/13/629835913.db2.gz DLKVQZJVBHRLIL-MEDHRJKHSA-N 1 1 300.446 3.268 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000835047333 629835919 /nfs/dbraw/zinc/83/59/19/629835919.db2.gz GGUQYTFPXLRSFX-IMMZDGJCSA-N 1 1 310.388 3.469 20 10 DGCDMO CC(C)[N@@H+]1CC[C@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835052291 629837003 /nfs/dbraw/zinc/83/70/03/629837003.db2.gz BZSDSOCFRKMSGC-OOFWQKGWSA-N 1 1 301.478 3.086 20 10 DGCDMO CC(C)[N@H+]1CC[C@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835052291 629837006 /nfs/dbraw/zinc/83/70/06/629837006.db2.gz BZSDSOCFRKMSGC-OOFWQKGWSA-N 1 1 301.478 3.086 20 10 DGCDMO C[C@H](O)C[C@H]1CCCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835051813 629837221 /nfs/dbraw/zinc/83/72/21/629837221.db2.gz JYSGVXIFFVVARW-NTWLCTACSA-N 1 1 302.462 3.391 20 10 DGCDMO Cc1cnn([C@@H]2CC[N@H+](C/C=C/c3ccc(N(C)C)cc3)C2)c1 ZINC000835052673 629837835 /nfs/dbraw/zinc/83/78/35/629837835.db2.gz ILNPBORSSVVLGW-VZSQWMKGSA-N 1 1 310.445 3.218 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@](C)(OC)C2CC2)c1 ZINC000840860507 630368543 /nfs/dbraw/zinc/36/85/43/630368543.db2.gz NYYNPTMJLDNRMS-IUUKEHGRSA-N 1 1 321.417 3.033 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000840878954 630370660 /nfs/dbraw/zinc/37/06/60/630370660.db2.gz AHRPAUOPAYETQO-DGCLKSJQSA-N 1 1 307.340 3.097 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCOc2cc(O)ccc2C1 ZINC000840947368 630382593 /nfs/dbraw/zinc/38/25/93/630382593.db2.gz PUQQADOEYOFJDP-UHFFFAOYSA-N 1 1 312.413 3.161 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000840948255 630382610 /nfs/dbraw/zinc/38/26/10/630382610.db2.gz SEVNFSZYLPQLDU-KRWDZBQOSA-N 1 1 318.852 3.358 20 10 DGCDMO COCC[N@@H+](Cc1ccccn1)Cc1ccc(N(C)C)cc1C ZINC000840946758 630382643 /nfs/dbraw/zinc/38/26/43/630382643.db2.gz TUVSUYSUHILWOL-UHFFFAOYSA-N 1 1 313.445 3.105 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](N2CCCC2)C[C@H]1C ZINC000840948678 630382858 /nfs/dbraw/zinc/38/28/58/630382858.db2.gz XWFMUCCXFUUPIK-APWZRJJASA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](N2CCCC2)C[C@H]1C ZINC000840948678 630382862 /nfs/dbraw/zinc/38/28/62/630382862.db2.gz XWFMUCCXFUUPIK-APWZRJJASA-N 1 1 301.478 3.120 20 10 DGCDMO CCC([NH3+])(CC)CNCc1cc(Br)cc(C)c1O ZINC000841031446 630397936 /nfs/dbraw/zinc/39/79/36/630397936.db2.gz UJEAWXSEYKQVKR-UHFFFAOYSA-N 1 1 315.255 3.070 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CNC/C=C/c2ccc(F)cc2)cc1 ZINC000841046055 630401749 /nfs/dbraw/zinc/40/17/49/630401749.db2.gz VJYDAJFRUILBEW-RTLBZRNLSA-N 1 1 313.420 3.195 20 10 DGCDMO CN(C)c1ccc(C[NH2+][C@@H](CN)C(C)(C)C)c(C(F)(F)F)c1 ZINC000841087153 630406175 /nfs/dbraw/zinc/40/61/75/630406175.db2.gz JQJUSKYJSLRCET-AWEZNQCLSA-N 1 1 317.399 3.234 20 10 DGCDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841299451 630425059 /nfs/dbraw/zinc/42/50/59/630425059.db2.gz DNZJDSOALLBMBI-INIZCTEOSA-N 1 1 304.438 3.045 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Cl)cc1O ZINC000841748237 630461569 /nfs/dbraw/zinc/46/15/69/630461569.db2.gz IKTZZAMBOPRSOD-GHJWDPDVSA-N 1 1 311.809 3.034 20 10 DGCDMO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(Cl)cc1O ZINC000841757974 630462791 /nfs/dbraw/zinc/46/27/91/630462791.db2.gz QMGGDYOOSKJHMX-MRVPVSSYSA-N 1 1 300.189 3.283 20 10 DGCDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000841889347 630473462 /nfs/dbraw/zinc/47/34/62/630473462.db2.gz BZEUDNMZZFGTIV-KFWWJZLASA-N 1 1 306.425 3.139 20 10 DGCDMO CCCC[C@@](C)(CO)[NH2+]Cc1cccc(Br)c1O ZINC000842745747 630570451 /nfs/dbraw/zinc/57/04/51/630570451.db2.gz FUTYHBWHQREBHA-AWEZNQCLSA-N 1 1 316.239 3.186 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2CCC(F)CC2)c1 ZINC000842927313 630594451 /nfs/dbraw/zinc/59/44/51/630594451.db2.gz FHXZADAEUMZADR-LKSINWNRSA-N 1 1 309.381 3.358 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(Br)c(F)cc1O ZINC000842928293 630594589 /nfs/dbraw/zinc/59/45/89/630594589.db2.gz JAIDBDXORDAAFM-VGMNWLOBSA-N 1 1 318.186 3.122 20 10 DGCDMO Cc1cccc2nc(CC[NH2+][C@H](C)c3ccc(F)cc3O)cn21 ZINC000842932953 630594919 /nfs/dbraw/zinc/59/49/19/630594919.db2.gz LXRLPALOHOHZFF-CYBMUJFWSA-N 1 1 313.376 3.381 20 10 DGCDMO CCCN(CCC)c1ccc(CN2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000843052555 630608991 /nfs/dbraw/zinc/60/89/91/630608991.db2.gz NSKWXGWNTAHFHB-SFHVURJKSA-N 1 1 303.494 3.354 20 10 DGCDMO CCOc1ccc(O)c(CN(CCC[NH3+])Cc2ccccc2)c1 ZINC000843107203 630614542 /nfs/dbraw/zinc/61/45/42/630614542.db2.gz CILTXTAZBWSHJJ-UHFFFAOYSA-N 1 1 314.429 3.142 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1[O-] ZINC000843354402 630648668 /nfs/dbraw/zinc/64/86/68/630648668.db2.gz DUDUXYOKUIIOAE-OAHLLOKOSA-N 1 1 312.841 3.053 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1[O-] ZINC000843354402 630648670 /nfs/dbraw/zinc/64/86/70/630648670.db2.gz DUDUXYOKUIIOAE-OAHLLOKOSA-N 1 1 312.841 3.053 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)C[C@H]1C(=O)OC(C)(C)C ZINC000843414537 630653655 /nfs/dbraw/zinc/65/36/55/630653655.db2.gz HXFCHFJBMMHOAT-UKRRQHHQSA-N 1 1 305.418 3.192 20 10 DGCDMO COc1cc(Br)cc(C[N@@H+](C)C(C)(C)C)c1O ZINC000843431098 630657760 /nfs/dbraw/zinc/65/77/60/630657760.db2.gz MCQRMWLHHNSIPW-UHFFFAOYSA-N 1 1 302.212 3.394 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)CCc2scnc2C)cc1 ZINC000844400933 630724945 /nfs/dbraw/zinc/72/49/45/630724945.db2.gz INCQWZRXZRJBPE-UHFFFAOYSA-N 1 1 319.474 3.071 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(F)ccc(O)c2F)c1 ZINC000845971001 631204102 /nfs/dbraw/zinc/20/41/02/631204102.db2.gz GNNOILGHJFHOMJ-SECBINFHSA-N 1 1 309.312 3.235 20 10 DGCDMO CCc1cccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000846100500 631209461 /nfs/dbraw/zinc/20/94/61/631209461.db2.gz NWSBZDVGGOYBDI-UHFFFAOYSA-N 1 1 323.484 3.291 20 10 DGCDMO COCCc1cc[nH+]c(N[C@@H](C)c2cccc(OC)c2O)c1 ZINC000846173576 631213608 /nfs/dbraw/zinc/21/36/08/631213608.db2.gz TULXIUGPQGGQCE-LBPRGKRZSA-N 1 1 302.374 3.158 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1ccc(F)cc1O ZINC000846186134 631214056 /nfs/dbraw/zinc/21/40/56/631214056.db2.gz DSIJUMRTTBUIIL-LXIYXOSZSA-N 1 1 303.377 3.478 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](OC3CCC3)C1)CCC2 ZINC000848497768 631670384 /nfs/dbraw/zinc/67/03/84/631670384.db2.gz QEBURJRKEUJZRC-SFHVURJKSA-N 1 1 301.430 3.414 20 10 DGCDMO COC[C@@H](CC(C)(C)C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000848564235 631694774 /nfs/dbraw/zinc/69/47/74/631694774.db2.gz KDQHBDXJNSMONL-TZMCWYRMSA-N 1 1 323.433 3.281 20 10 DGCDMO CCc1cccc(C[N@@H+]2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)c1O ZINC000848887872 631772940 /nfs/dbraw/zinc/77/29/40/631772940.db2.gz GXJQCMCYTUKYBP-QZTJIDSGSA-N 1 1 318.461 3.176 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1O ZINC000848904016 631780410 /nfs/dbraw/zinc/78/04/10/631780410.db2.gz ITQFWZPTDZSIMJ-HXUWFJFHSA-N 1 1 322.408 3.050 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c1O ZINC000848904015 631780864 /nfs/dbraw/zinc/78/08/64/631780864.db2.gz ITQFWZPTDZSIMJ-FQEVSTJZSA-N 1 1 322.408 3.050 20 10 DGCDMO Cn1c[nH+]c2cc(NCc3ccc(O[C@@H]4CCOC4)cc3)ccc21 ZINC000850217673 632083459 /nfs/dbraw/zinc/08/34/59/632083459.db2.gz INEKQEPFJYLDSH-QGZVFWFLSA-N 1 1 323.396 3.353 20 10 DGCDMO 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1181587759 /nfs/dbraw/zinc/58/77/59/1181587759.db2.gz AZWRKVPBWVEQLO-UHFFFAOYSA-N 1 1 316.264 3.482 20 10 DGCDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001459531736 1182592363 /nfs/dbraw/zinc/59/23/63/1182592363.db2.gz MDUTVUNROMXPQN-QGZVFWFLSA-N 1 1 317.477 3.023 20 10 DGCDMO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)[C@H]1C ZINC001461002474 1182753121 /nfs/dbraw/zinc/75/31/21/1182753121.db2.gz WPPMLXIYQUWLKZ-FUHIMQAGSA-N 1 1 315.505 3.353 20 10 DGCDMO C[C@@H](CNCc1ccc2c(c1)CCCO2)[N@@H+]1CCCC[C@@H]1C ZINC001461048764 1182761283 /nfs/dbraw/zinc/76/12/83/1182761283.db2.gz RTSOMCNFTJTJCJ-HOTGVXAUSA-N 1 1 302.462 3.364 20 10 DGCDMO C[C@@H](CNCc1ccc2c(c1)CCCO2)[N@H+]1CCCC[C@@H]1C ZINC001461048764 1182761290 /nfs/dbraw/zinc/76/12/90/1182761290.db2.gz RTSOMCNFTJTJCJ-HOTGVXAUSA-N 1 1 302.462 3.364 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH+]1CC(Cc2ccc(F)cc2)C1 ZINC001462320192 1182938800 /nfs/dbraw/zinc/93/88/00/1182938800.db2.gz IDLMLRDLMJEZIR-UHFFFAOYSA-N 1 1 307.315 3.484 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001462438592 1182952694 /nfs/dbraw/zinc/95/26/94/1182952694.db2.gz DPLMXBYIYOJWFN-GOSISDBHSA-N 1 1 319.351 3.154 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001462438592 1182952698 /nfs/dbraw/zinc/95/26/98/1182952698.db2.gz DPLMXBYIYOJWFN-GOSISDBHSA-N 1 1 319.351 3.154 20 10 DGCDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001462483177 1182959827 /nfs/dbraw/zinc/95/98/27/1182959827.db2.gz RELXVTTXCCTBMO-QGZVFWFLSA-N 1 1 300.377 3.242 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001462567449 1182970256 /nfs/dbraw/zinc/97/02/56/1182970256.db2.gz ZZIYTFBHAINJIL-HNNXBMFYSA-N 1 1 323.314 3.463 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001462567449 1182970258 /nfs/dbraw/zinc/97/02/58/1182970258.db2.gz ZZIYTFBHAINJIL-HNNXBMFYSA-N 1 1 323.314 3.463 20 10 DGCDMO OC[C@@H](CCc1ccccc1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001462590706 1182972860 /nfs/dbraw/zinc/97/28/60/1182972860.db2.gz NDRPUYZWUXFKKT-CQSZACIVSA-N 1 1 323.795 3.268 20 10 DGCDMO C[C@H]([NH2+]Cc1nnc(-c2cccc(F)c2)o1)c1ccccc1O ZINC001473722312 1183793456 /nfs/dbraw/zinc/79/34/56/1183793456.db2.gz HMWJJWMUNRPNKA-NSHDSACASA-N 1 1 313.332 3.432 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]CC3(C)CCCCC3)cc2)CC1 ZINC001474165940 1183875954 /nfs/dbraw/zinc/87/59/54/1183875954.db2.gz MKNNEGJZYDQSPC-UHFFFAOYSA-N 1 1 315.505 3.498 20 10 DGCDMO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001474342504 1183907459 /nfs/dbraw/zinc/90/74/59/1183907459.db2.gz AJTDWDVKIRCQPS-OAHLLOKOSA-N 1 1 321.367 3.444 20 10 DGCDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001474342504 1183907460 /nfs/dbraw/zinc/90/74/60/1183907460.db2.gz AJTDWDVKIRCQPS-OAHLLOKOSA-N 1 1 321.367 3.444 20 10 DGCDMO CCOC(=O)CC[N@@H+](Cc1c(O)cc(C)cc1Cl)C1CC1 ZINC001474379227 1183912492 /nfs/dbraw/zinc/91/24/92/1183912492.db2.gz RNOUHWYCLGMSRG-UHFFFAOYSA-N 1 1 311.809 3.272 20 10 DGCDMO Cc1ccc(C[N@@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001474511700 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CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001560685807 1189360718 /nfs/dbraw/zinc/36/07/18/1189360718.db2.gz ICVVGIKQQSPDSL-CYBMUJFWSA-N 1 1 324.852 3.174 20 10 DGCDMO C[C@@H]([NH2+]Cc1cccc(F)c1[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001560749248 1189373894 /nfs/dbraw/zinc/37/38/94/1189373894.db2.gz DHFXHZRXYPNANJ-HIFRSBDPSA-N 1 1 306.425 3.274 20 10 DGCDMO COc1cc(Cl)cc(C[NH2+]Cc2nc3ccccc3o2)c1O ZINC001561015403 1189420275 /nfs/dbraw/zinc/42/02/75/1189420275.db2.gz UZWYFCDQXZVVAD-UHFFFAOYSA-N 1 1 318.760 3.485 20 10 DGCDMO CC(C)C[C@@H](C[NH+](C)C)NCc1cc(F)c(N(C)C)cc1F ZINC001621097165 1193801137 /nfs/dbraw/zinc/80/11/37/1193801137.db2.gz SKRDEPYHYBNZNM-AWEZNQCLSA-N 1 1 313.436 3.097 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc(-c3ccccn3)n[nH]2)cc1 ZINC001621112503 1193805075 /nfs/dbraw/zinc/80/50/75/1193805075.db2.gz UNYNKNZXDQOHHQ-UHFFFAOYSA-N 1 1 321.428 3.170 20 10 DGCDMO CC[C@H]1CC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC001621135150 1193807156 /nfs/dbraw/zinc/80/71/56/1193807156.db2.gz GJUGWQAGYRUXEO-LBPRGKRZSA-N 1 1 318.392 3.336 20 10 DGCDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC001621395442 1193837916 /nfs/dbraw/zinc/83/79/16/1193837916.db2.gz BDUXNHCOTUHANW-INIZCTEOSA-N 1 1 311.809 3.129 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC001621405275 1193838743 /nfs/dbraw/zinc/83/87/43/1193838743.db2.gz NYXZCOJNIKBZKX-NRFANRHFSA-N 1 1 324.468 3.327 20 10 DGCDMO CCc1cccc(C[N@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)c1O ZINC001621521768 1193853795 /nfs/dbraw/zinc/85/37/95/1193853795.db2.gz JQPFFYXTWFVBHG-PZJWPPBQSA-N 1 1 323.436 3.355 20 10 DGCDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC001633315057 1194431135 /nfs/dbraw/zinc/43/11/35/1194431135.db2.gz CXUDOHRQHCJUML-WBVHZDCISA-N 1 1 317.477 3.052 20 10 DGCDMO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001651443285 1195463308 /nfs/dbraw/zinc/46/33/08/1195463308.db2.gz YCTCUJYUFZNPEN-OAHLLOKOSA-N 1 1 320.795 3.461 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](C[C@]3(C)CCCCO3)CC2)cc1 ZINC001651794438 1195509652 /nfs/dbraw/zinc/50/96/52/1195509652.db2.gz ORLSHEIENZHIJG-IBGZPJMESA-N 1 1 318.461 3.167 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC001651799530 1195511272 /nfs/dbraw/zinc/51/12/72/1195511272.db2.gz ACULMRQAQHTPAF-NVXWUHKLSA-N 1 1 307.459 3.222 20 10 DGCDMO CC[C@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)CCS1 ZINC001651932021 1195525362 /nfs/dbraw/zinc/52/53/62/1195525362.db2.gz IRTVCOPESYKFRE-LBPRGKRZSA-N 1 1 300.418 3.358 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CCS1 ZINC001651932021 1195525365 /nfs/dbraw/zinc/52/53/65/1195525365.db2.gz IRTVCOPESYKFRE-LBPRGKRZSA-N 1 1 300.418 3.358 20 10 DGCDMO CCOC(=O)N1CCC[N@@H+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001651929655 1195525628 /nfs/dbraw/zinc/52/56/28/1195525628.db2.gz RBHVVVDHHLDRGR-UHFFFAOYSA-N 1 1 320.433 3.180 20 10 DGCDMO COc1cc(C)c(C[N@@H+]2CCC=C(Br)C2)c(O)c1 ZINC001652297615 1195576574 /nfs/dbraw/zinc/57/65/74/1195576574.db2.gz BAFAILHKKYOEOW-UHFFFAOYSA-N 1 1 312.207 3.194 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCC=C(Br)C2)c(O)c1 ZINC001652297615 1195576577 /nfs/dbraw/zinc/57/65/77/1195576577.db2.gz BAFAILHKKYOEOW-UHFFFAOYSA-N 1 1 312.207 3.194 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCOCC23CCCCC3)c1O ZINC001652471445 1195602556 /nfs/dbraw/zinc/60/25/56/1195602556.db2.gz FQOCCSPYJNVKPA-UHFFFAOYSA-N 1 1 305.418 3.244 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc1 ZINC001655206085 1195890264 /nfs/dbraw/zinc/89/02/64/1195890264.db2.gz OTBJHNHMKYTQBE-UHFFFAOYSA-N 1 1 312.461 3.450 20 10 DGCDMO C[C@H](C[NH+]1CCCCC1)NC/C=C\c1ccc(N(C)C)cc1 ZINC001655259510 1195896557 /nfs/dbraw/zinc/89/65/57/1195896557.db2.gz LNOMCKMSVFUHOJ-ZPUOCTKUSA-N 1 1 301.478 3.230 20 10 DGCDMO Cc1ccc(CC[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001655625669 1195942737 /nfs/dbraw/zinc/94/27/37/1195942737.db2.gz KBTZQSVKPSHCJJ-UHFFFAOYSA-N 1 1 323.484 3.079 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2C(=O)NC(C)(C)C)cc1 ZINC001655658428 1195946159 /nfs/dbraw/zinc/94/61/59/1195946159.db2.gz CNAZMVMSDPQFTN-KRWDZBQOSA-N 1 1 317.477 3.022 20 10 DGCDMO COc1ccc(CNc2ccc3c(c2)[nH+]cn3C)cc1[N+](=O)[O-] ZINC001656764257 1196069738 /nfs/dbraw/zinc/06/97/38/1196069738.db2.gz HBUSFUVQDJLTRB-UHFFFAOYSA-N 1 1 312.329 3.102 20 10 DGCDMO Cc1ccnc(C[NH2+]Cc2cc(C)cc(Br)c2O)c1 ZINC001656868630 1196076735 /nfs/dbraw/zinc/07/67/35/1196076735.db2.gz OASUBTDIPUFVHL-UHFFFAOYSA-N 1 1 321.218 3.456 20 10 DGCDMO Cc1ccc([C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)N(C)C)cc1 ZINC001657004054 1196092451 /nfs/dbraw/zinc/09/24/51/1196092451.db2.gz VLKVNJFINTWZCG-QGZVFWFLSA-N 1 1 320.383 3.371 20 10 DGCDMO Cc1ccc([C@H](C[NH2+]Cc2cc(F)cc(F)c2O)N(C)C)cc1 ZINC001657004053 1196092527 /nfs/dbraw/zinc/09/25/27/1196092527.db2.gz VLKVNJFINTWZCG-KRWDZBQOSA-N 1 1 320.383 3.371 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)CCC(=O)OC(C)(C)C)cc1 ZINC001657220904 1196119575 /nfs/dbraw/zinc/11/95/75/1196119575.db2.gz PQTILBDWPDFYBM-FPLPWBNLSA-N 1 1 318.461 3.429 20 10 DGCDMO COc1cc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)sn1 ZINC001658035504 1196205517 /nfs/dbraw/zinc/20/55/17/1196205517.db2.gz GJSHSCBGYLTJHM-UHFFFAOYSA-N 1 1 317.458 3.384 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)sn1 ZINC001658035504 1196205523 /nfs/dbraw/zinc/20/55/23/1196205523.db2.gz GJSHSCBGYLTJHM-UHFFFAOYSA-N 1 1 317.458 3.384 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]CC3CCC=CCC3)cc2)CC1 ZINC001658655095 1196285513 /nfs/dbraw/zinc/28/55/13/1196285513.db2.gz GUASGYPBZUGLGK-UHFFFAOYSA-N 1 1 313.489 3.274 20 10 DGCDMO C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])[C@H]2C1 ZINC001658777797 1196299349 /nfs/dbraw/zinc/29/93/49/1196299349.db2.gz IZBMUWBGERSACK-WFBYXXMGSA-N 1 1 315.244 3.129 20 10 DGCDMO Cn1ccc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001658929043 1196321593 /nfs/dbraw/zinc/32/15/93/1196321593.db2.gz DQFDSBGCWDKYJY-GFCCVEGCSA-N 1 1 305.809 3.159 20 10 DGCDMO COc1cc(C[N@H+](C)C/C=C\c2ccc(N(C)C)cc2)sn1 ZINC001658969505 1196325987 /nfs/dbraw/zinc/32/59/87/1196325987.db2.gz KJCRGDAEWXBALH-WAYWQWQTSA-N 1 1 317.458 3.363 20 10 DGCDMO COc1cc(C[N@@H+](C)C/C=C\c2ccc(N(C)C)cc2)sn1 ZINC001658969505 1196325991 /nfs/dbraw/zinc/32/59/91/1196325991.db2.gz KJCRGDAEWXBALH-WAYWQWQTSA-N 1 1 317.458 3.363 20 10 DGCDMO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1O ZINC001658973695 1196326592 /nfs/dbraw/zinc/32/65/92/1196326592.db2.gz CCFQMIDPLZDCDV-MRXNPFEDSA-N 1 1 321.367 3.444 20 10 DGCDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1O ZINC001658973695 1196326602 /nfs/dbraw/zinc/32/66/02/1196326602.db2.gz CCFQMIDPLZDCDV-MRXNPFEDSA-N 1 1 321.367 3.444 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC001659414460 1196381218 /nfs/dbraw/zinc/38/12/18/1196381218.db2.gz KDGUMPVKRCFGGG-HNNXBMFYSA-N 1 1 320.477 3.471 20 10 DGCDMO CC(C)([NH2+]Cc1cc(F)c(F)cc1O)[C@H](O)c1ccccc1 ZINC001659902019 1196426644 /nfs/dbraw/zinc/42/66/44/1196426644.db2.gz KKDKAUYQTFBPFE-MRXNPFEDSA-N 1 1 307.340 3.272 20 10 DGCDMO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(F)c(F)cc3O)C2)n1 ZINC001660801094 1196526747 /nfs/dbraw/zinc/52/67/47/1196526747.db2.gz ZUCNHUQSHDXQKY-KOLCDFICSA-N 1 1 323.343 3.042 20 10 DGCDMO C[C@H]1CCc2nc(C[NH2+]Cc3ccc4c(c3)CCO4)sc2C1 ZINC001661224314 1196585031 /nfs/dbraw/zinc/58/50/31/1196585031.db2.gz MEPMTKDZODQWSO-LBPRGKRZSA-N 1 1 314.454 3.493 20 10 DGCDMO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)Oc1ccccc1F ZINC001661571707 1196620852 /nfs/dbraw/zinc/62/08/52/1196620852.db2.gz AVYJYKFHMAXVBR-SNVBAGLBSA-N 1 1 311.303 3.367 20 10 DGCDMO COCC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCCC1 ZINC001662668024 1196738365 /nfs/dbraw/zinc/73/83/65/1196738365.db2.gz XIRLMWNHVRPDHM-UHFFFAOYSA-N 1 1 301.789 3.481 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@]2(C)CCCCO2)cc1 ZINC001665163801 1197103818 /nfs/dbraw/zinc/10/38/18/1197103818.db2.gz DOKBYSXUOKEJMB-GOSISDBHSA-N 1 1 306.450 3.022 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@]2(C)CCCS2)cc1 ZINC001665163847 1197104141 /nfs/dbraw/zinc/10/41/41/1197104141.db2.gz GAAWRQRTHFKSDI-QGZVFWFLSA-N 1 1 308.491 3.349 20 10 DGCDMO CC1(C)CC[C@H](CO)[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001665533799 1197148659 /nfs/dbraw/zinc/14/86/59/1197148659.db2.gz SLWYIEQKNNILGL-LLVKDONJSA-N 1 1 301.789 3.168 20 10 DGCDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001665533799 1197148660 /nfs/dbraw/zinc/14/86/60/1197148660.db2.gz SLWYIEQKNNILGL-LLVKDONJSA-N 1 1 301.789 3.168 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc2nonc2c1 ZINC001665857904 1197208241 /nfs/dbraw/zinc/20/82/41/1197208241.db2.gz JLEFWFFJYXWWDB-UHFFFAOYSA-N 1 1 307.712 3.011 20 10 DGCDMO Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CCCOC2)c1O ZINC000401590407 1091528820 /nfs/dbraw/zinc/52/88/20/1091528820.db2.gz WKZLWYSNJCYXLC-CYBMUJFWSA-N 1 1 314.223 3.074 20 10 DGCDMO CCN(CC)C(=O)C[C@@H](C)[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001169487777 1081580907 /nfs/dbraw/zinc/58/09/07/1081580907.db2.gz VNCYXGPFRVRONY-MRXNPFEDSA-N 1 1 319.493 3.222 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCCC2(C1)OCCO2 ZINC001169961233 1081685061 /nfs/dbraw/zinc/68/50/61/1081685061.db2.gz IXNBYHNHDPGKAU-SFHVURJKSA-N 1 1 318.461 3.260 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1F ZINC001137678331 1081728733 /nfs/dbraw/zinc/72/87/33/1081728733.db2.gz IXQNNTIRDCNGCO-UHFFFAOYSA-N 1 1 301.361 3.494 20 10 DGCDMO Cc1cccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1F ZINC001137678331 1081728740 /nfs/dbraw/zinc/72/87/40/1081728740.db2.gz IXQNNTIRDCNGCO-UHFFFAOYSA-N 1 1 301.361 3.494 20 10 DGCDMO CC1(C)CC([N@H+]2CCc3cccc(O)c3C2)CC(C)(C)N1O ZINC001170004739 1081841241 /nfs/dbraw/zinc/84/12/41/1081841241.db2.gz LKSNBLREEGLCRA-UHFFFAOYSA-N 1 1 304.434 3.161 20 10 DGCDMO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ccc2c(c1)CCCO2 ZINC001648913702 1082319567 /nfs/dbraw/zinc/31/95/67/1082319567.db2.gz DXJNRWSOUCOLJI-JKSUJKDBSA-N 1 1 302.462 3.222 20 10 DGCDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NCc1ccc2c(c1)CCCO2 ZINC001648913702 1082319574 /nfs/dbraw/zinc/31/95/74/1082319574.db2.gz DXJNRWSOUCOLJI-JKSUJKDBSA-N 1 1 302.462 3.222 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c(O)c1 ZINC001181089984 1083401528 /nfs/dbraw/zinc/40/15/28/1083401528.db2.gz WSTGTLXILSALDG-OAHLLOKOSA-N 1 1 305.418 3.100 20 10 DGCDMO CC[C@H](CO)[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001182098024 1083626520 /nfs/dbraw/zinc/62/65/20/1083626520.db2.gz CTXOSCASEFBFQX-HXUWFJFHSA-N 1 1 324.468 3.452 20 10 DGCDMO FC1(F)CO[C@]2(CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001204328127 1083659967 /nfs/dbraw/zinc/65/99/67/1083659967.db2.gz CIQIPISZJNOGAL-QGZVFWFLSA-N 1 1 322.399 3.287 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@H](F)C[C@H]2C)c(O)cc1Br ZINC001250120621 1083993945 /nfs/dbraw/zinc/99/39/45/1083993945.db2.gz KRXCIQLWGYPWQV-MWLCHTKSSA-N 1 1 302.187 3.395 20 10 DGCDMO Cc1cc(C[N@@H+]2C[C@H](F)C[C@H]2C)c(O)cc1Br ZINC001250120621 1083993948 /nfs/dbraw/zinc/99/39/48/1083993948.db2.gz KRXCIQLWGYPWQV-MWLCHTKSSA-N 1 1 302.187 3.395 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c1O ZINC001203602377 1084290870 /nfs/dbraw/zinc/29/08/70/1084290870.db2.gz RNLONMVXEVXVKH-LSDHHAIUSA-N 1 1 303.402 3.125 20 10 DGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H](F)CC1 ZINC001203635967 1084630754 /nfs/dbraw/zinc/63/07/54/1084630754.db2.gz LIBCEFHRULRLNV-LBPRGKRZSA-N 1 1 302.187 3.479 20 10 DGCDMO O=C1c2ccccc2[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3O)C[C@H]12 ZINC001142509162 1087274828 /nfs/dbraw/zinc/27/48/28/1087274828.db2.gz ZBZFZVMESRIEHE-KBPBESRZSA-N 1 1 315.319 3.082 20 10 DGCDMO O=C1c2ccccc2[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3O)C[C@H]12 ZINC001142509162 1087274833 /nfs/dbraw/zinc/27/48/33/1087274833.db2.gz ZBZFZVMESRIEHE-KBPBESRZSA-N 1 1 315.319 3.082 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246205641 1089835214 /nfs/dbraw/zinc/83/52/14/1089835214.db2.gz BJYYYHBNPXDUSD-SUMWQHHRSA-N 1 1 319.445 3.396 20 10 DGCDMO CCCc1noc([C@H]2CCC[N@@H+](Cc3ccccc3O)C2)n1 ZINC001203558660 1090616171 /nfs/dbraw/zinc/61/61/71/1090616171.db2.gz SXDIBKJYAFKFGT-AWEZNQCLSA-N 1 1 301.390 3.107 20 10 DGCDMO Cc1ccc(CN2C[C@@H]3C[NH+](Cc4ccccc4O)C[C@H]3C2)cc1 ZINC001203552011 1090753862 /nfs/dbraw/zinc/75/38/62/1090753862.db2.gz WUSJAUKOCFKKES-WOJBJXKFSA-N 1 1 322.452 3.264 20 10 DGCDMO Oc1ccccc1C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001203556598 1090755391 /nfs/dbraw/zinc/75/53/91/1090755391.db2.gz VENXCHKLVGLCRJ-HKUYNNGSSA-N 1 1 308.425 3.099 20 10 DGCDMO Oc1ccccc1CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001203556598 1090755396 /nfs/dbraw/zinc/75/53/96/1090755396.db2.gz VENXCHKLVGLCRJ-HKUYNNGSSA-N 1 1 308.425 3.099 20 10 DGCDMO Oc1ccccc1CN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001203556598 1090755402 /nfs/dbraw/zinc/75/54/02/1090755402.db2.gz VENXCHKLVGLCRJ-HKUYNNGSSA-N 1 1 308.425 3.099 20 10 DGCDMO COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1ccccc1O ZINC001203558714 1090755552 /nfs/dbraw/zinc/75/55/52/1090755552.db2.gz XNCKIOHUVODQFB-OAHLLOKOSA-N 1 1 315.413 3.438 20 10 DGCDMO Oc1ccccc1C[N@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001203558306 1090755573 /nfs/dbraw/zinc/75/55/73/1090755573.db2.gz CNPKKYWGIGAWDE-GASCZTMLSA-N 1 1 317.392 3.422 20 10 DGCDMO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccccc1O ZINC001203561719 1090756930 /nfs/dbraw/zinc/75/69/30/1090756930.db2.gz YJHKDAJWZBXCOC-HIFRSBDPSA-N 1 1 320.433 3.270 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)c1O ZINC001203600238 1090765456 /nfs/dbraw/zinc/76/54/56/1090765456.db2.gz YNOUDSLPVGUWGH-UHFFFAOYSA-N 1 1 323.396 3.219 20 10 DGCDMO COc1ccc(C[N@H+]2CCOC[C@@H]2C2CCCCC2)c(O)c1 ZINC001203634532 1090770217 /nfs/dbraw/zinc/77/02/17/1090770217.db2.gz KOSSUPUWHMYWKA-QGZVFWFLSA-N 1 1 305.418 3.182 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@@]1(O)C(F)(F)F ZINC001203651201 1090773715 /nfs/dbraw/zinc/77/37/15/1090773715.db2.gz KHBHTNAKFFFPOJ-RNCFNFMXSA-N 1 1 323.742 3.181 20 10 DGCDMO CCOC(=O)[C@H]1CCCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203664282 1090775441 /nfs/dbraw/zinc/77/54/41/1090775441.db2.gz VTAJSHXCVRVNIX-LBPRGKRZSA-N 1 1 311.809 3.211 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc(N(C)C)cc1 ZINC001203934302 1090842608 /nfs/dbraw/zinc/84/26/08/1090842608.db2.gz PIRQPFRFPQKXJJ-SFHVURJKSA-N 1 1 323.484 3.459 20 10 DGCDMO C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001203934302 1090842616 /nfs/dbraw/zinc/84/26/16/1090842616.db2.gz PIRQPFRFPQKXJJ-SFHVURJKSA-N 1 1 323.484 3.459 20 10 DGCDMO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001203934302 1090842620 /nfs/dbraw/zinc/84/26/20/1090842620.db2.gz PIRQPFRFPQKXJJ-SFHVURJKSA-N 1 1 323.484 3.459 20 10 DGCDMO Cc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203935438 1090842881 /nfs/dbraw/zinc/84/28/81/1090842881.db2.gz HJXRHXMDAKSIQZ-SFHVURJKSA-N 1 1 311.429 3.109 20 10 DGCDMO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203935434 1090843035 /nfs/dbraw/zinc/84/30/35/1090843035.db2.gz HJXRHXMDAKSIQZ-GOSISDBHSA-N 1 1 311.429 3.109 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](CC)C2CCN(C)CC2)cc1 ZINC001203938741 1090843904 /nfs/dbraw/zinc/84/39/04/1090843904.db2.gz DAJQRFPONYZVLU-UHFFFAOYSA-N 1 1 303.494 3.449 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)cc1 ZINC001203942441 1090845529 /nfs/dbraw/zinc/84/55/29/1090845529.db2.gz QPGZREWXUCDAAD-IYBDPMFKSA-N 1 1 324.415 3.246 20 10 DGCDMO CCN(CC)c1ccc(CN2CCC[C@@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC001203942813 1090845953 /nfs/dbraw/zinc/84/59/53/1090845953.db2.gz SBFBZBNHIZORFA-IEBWSBKVSA-N 1 1 301.478 3.059 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]3CN(C)C[C@H]32)cc1 ZINC001203942813 1090845965 /nfs/dbraw/zinc/84/59/65/1090845965.db2.gz SBFBZBNHIZORFA-IEBWSBKVSA-N 1 1 301.478 3.059 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]3CN(C)C[C@H]32)cc1 ZINC001203942813 1090845972 /nfs/dbraw/zinc/84/59/72/1090845972.db2.gz SBFBZBNHIZORFA-IEBWSBKVSA-N 1 1 301.478 3.059 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)cc1 ZINC001203946855 1090848025 /nfs/dbraw/zinc/84/80/25/1090848025.db2.gz YHACHVVVABBPJI-PKOBYXMFSA-N 1 1 301.478 3.059 20 10 DGCDMO CCN(CC)c1ccc(CN2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001203946855 1090848034 /nfs/dbraw/zinc/84/80/34/1090848034.db2.gz YHACHVVVABBPJI-PKOBYXMFSA-N 1 1 301.478 3.059 20 10 DGCDMO CCN(CC)c1ccc(CN2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001203946855 1090848037 /nfs/dbraw/zinc/84/80/37/1090848037.db2.gz YHACHVVVABBPJI-PKOBYXMFSA-N 1 1 301.478 3.059 20 10 DGCDMO COc1ccc(N2CC[NH+](Cc3cccs3)CC2)c(OC)c1 ZINC001204016391 1090869957 /nfs/dbraw/zinc/86/99/57/1090869957.db2.gz DLTWYDVSAWKUJU-UHFFFAOYSA-N 1 1 318.442 3.088 20 10 DGCDMO COCC[N@H+](Cc1cc(Br)cc(F)c1O)C(C)C ZINC000715725440 1090900805 /nfs/dbraw/zinc/90/08/05/1090900805.db2.gz OHMXWDDWAGRXCM-UHFFFAOYSA-N 1 1 320.202 3.151 20 10 DGCDMO COCC[N@@H+](Cc1cc(Br)cc(F)c1O)C(C)C ZINC000715725440 1090900809 /nfs/dbraw/zinc/90/08/09/1090900809.db2.gz OHMXWDDWAGRXCM-UHFFFAOYSA-N 1 1 320.202 3.151 20 10 DGCDMO CCN1CCC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204232693 1090930700 /nfs/dbraw/zinc/93/07/00/1090930700.db2.gz IQPWLGMRQURLNS-UHFFFAOYSA-N 1 1 311.473 3.433 20 10 DGCDMO CC[N@@H+]1CCCN(Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204232693 1090930702 /nfs/dbraw/zinc/93/07/02/1090930702.db2.gz IQPWLGMRQURLNS-UHFFFAOYSA-N 1 1 311.473 3.433 20 10 DGCDMO CC[N@H+]1CCCN(Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204232693 1090930706 /nfs/dbraw/zinc/93/07/06/1090930706.db2.gz IQPWLGMRQURLNS-UHFFFAOYSA-N 1 1 311.473 3.433 20 10 DGCDMO CCN1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@H]1C ZINC001204240920 1090933086 /nfs/dbraw/zinc/93/30/86/1090933086.db2.gz LEHLQQMNYWIEJI-MRXNPFEDSA-N 1 1 311.473 3.432 20 10 DGCDMO CC[N@@H+]1CCN(Cc2ccc(N(C)C)c3ccccc23)C[C@H]1C ZINC001204240920 1090933089 /nfs/dbraw/zinc/93/30/89/1090933089.db2.gz LEHLQQMNYWIEJI-MRXNPFEDSA-N 1 1 311.473 3.432 20 10 DGCDMO CC[N@H+]1CCN(Cc2ccc(N(C)C)c3ccccc23)C[C@H]1C ZINC001204240920 1090933093 /nfs/dbraw/zinc/93/30/93/1090933093.db2.gz LEHLQQMNYWIEJI-MRXNPFEDSA-N 1 1 311.473 3.432 20 10 DGCDMO COc1cccc([C@H]2CCC[N@@H+](Cc3ccc(O)cc3O)C2)c1 ZINC001204277630 1090938279 /nfs/dbraw/zinc/93/82/79/1090938279.db2.gz HIPWGBXKEZSMQM-HNNXBMFYSA-N 1 1 313.397 3.486 20 10 DGCDMO Oc1ccc(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)c(O)c1 ZINC001204279004 1090939370 /nfs/dbraw/zinc/93/93/70/1090939370.db2.gz NQVRLDDATCZGEW-SFHVURJKSA-N 1 1 313.397 3.279 20 10 DGCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)[C@H]1C ZINC001204322532 1090949301 /nfs/dbraw/zinc/94/93/01/1090949301.db2.gz RGIUHNUDSGUDGI-YJBOKZPZSA-N 1 1 316.445 3.060 20 10 DGCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)[C@@H]1C ZINC001204322531 1090949465 /nfs/dbraw/zinc/94/94/65/1090949465.db2.gz RGIUHNUDSGUDGI-QAPCUYQASA-N 1 1 316.445 3.060 20 10 DGCDMO COc1cc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)cc(O)c1O ZINC001204349466 1090953817 /nfs/dbraw/zinc/95/38/17/1090953817.db2.gz TWWMVQOGZDYGLA-OKILXGFUSA-N 1 1 311.381 3.193 20 10 DGCDMO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)C2 ZINC001204960460 1091073059 /nfs/dbraw/zinc/07/30/59/1091073059.db2.gz AQXHLCUILLYPMU-CQSZACIVSA-N 1 1 319.351 3.326 20 10 DGCDMO Oc1c(C[N@@H+]2Cc3ccncc3C2)cc2c3c1CCCN3CCC2 ZINC001138336492 1091145729 /nfs/dbraw/zinc/14/57/29/1091145729.db2.gz BERKUBXRAOXNDX-UHFFFAOYSA-N 1 1 321.424 3.002 20 10 DGCDMO Oc1c(C[N@H+]2Cc3ccncc3C2)cc2c3c1CCCN3CCC2 ZINC001138336492 1091145733 /nfs/dbraw/zinc/14/57/33/1091145733.db2.gz BERKUBXRAOXNDX-UHFFFAOYSA-N 1 1 321.424 3.002 20 10 DGCDMO C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138338346 1091147080 /nfs/dbraw/zinc/14/70/80/1091147080.db2.gz OXCPNINUAJOJAR-DOMZBBRYSA-N 1 1 304.409 3.023 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CC[C@H](Oc4ccncc4)C3)ccc21 ZINC001138356120 1091150764 /nfs/dbraw/zinc/15/07/64/1091150764.db2.gz IEDBXVXOYDLBLT-IBGZPJMESA-N 1 1 323.440 3.117 20 10 DGCDMO CN1CCCc2cc(C[N@@H+]3CC[C@@H](N4CCCCC4)C3)ccc21 ZINC001138357144 1091151626 /nfs/dbraw/zinc/15/16/26/1091151626.db2.gz DLPAWUMEDXUSIU-LJQANCHMSA-N 1 1 313.489 3.129 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CC[C@@H](N4CCCCC4)C3)ccc21 ZINC001138357144 1091151631 /nfs/dbraw/zinc/15/16/31/1091151631.db2.gz DLPAWUMEDXUSIU-LJQANCHMSA-N 1 1 313.489 3.129 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2COC)c(OC)c1 ZINC001138386000 1091161342 /nfs/dbraw/zinc/16/13/42/1091161342.db2.gz DNVSRLWOBCBTPB-KRWDZBQOSA-N 1 1 306.450 3.152 20 10 DGCDMO CCN(CC)c1ccc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(OC)c1 ZINC001138390324 1091164886 /nfs/dbraw/zinc/16/48/86/1091164886.db2.gz RIALGOIWAJURNT-IYBDPMFKSA-N 1 1 319.493 3.066 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c(OC)c1 ZINC001138390324 1091164893 /nfs/dbraw/zinc/16/48/93/1091164893.db2.gz RIALGOIWAJURNT-IYBDPMFKSA-N 1 1 319.493 3.066 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c(OC)c1 ZINC001138390324 1091164897 /nfs/dbraw/zinc/16/48/97/1091164897.db2.gz RIALGOIWAJURNT-IYBDPMFKSA-N 1 1 319.493 3.066 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)c(OC)c1 ZINC001138391907 1091165660 /nfs/dbraw/zinc/16/56/60/1091165660.db2.gz IOQFTGGEMBGFPL-SFHVURJKSA-N 1 1 318.461 3.152 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@H]2C2CC2)c(OC)c1 ZINC001138391907 1091165667 /nfs/dbraw/zinc/16/56/67/1091165667.db2.gz IOQFTGGEMBGFPL-SFHVURJKSA-N 1 1 318.461 3.152 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c(OC)c1 ZINC001138391906 1091166375 /nfs/dbraw/zinc/16/63/75/1091166375.db2.gz IOQFTGGEMBGFPL-GOSISDBHSA-N 1 1 318.461 3.152 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)c(OC)c1 ZINC001138391906 1091166381 /nfs/dbraw/zinc/16/63/81/1091166381.db2.gz IOQFTGGEMBGFPL-GOSISDBHSA-N 1 1 318.461 3.152 20 10 DGCDMO C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001205289393 1091167874 /nfs/dbraw/zinc/16/78/74/1091167874.db2.gz XOMKIRDRVNXIHN-CQSZACIVSA-N 1 1 302.340 3.114 20 10 DGCDMO [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001205570980 1091259136 /nfs/dbraw/zinc/25/91/36/1091259136.db2.gz RCQBVUIHCQXXIX-GOSISDBHSA-N 1 1 302.393 3.198 20 10 DGCDMO [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001205570980 1091259142 /nfs/dbraw/zinc/25/91/42/1091259142.db2.gz RCQBVUIHCQXXIX-GOSISDBHSA-N 1 1 302.393 3.198 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(O)c1 ZINC001205699811 1091317152 /nfs/dbraw/zinc/31/71/52/1091317152.db2.gz KZXZIJXJODJVQH-HZPDHXFCSA-N 1 1 319.445 3.348 20 10 DGCDMO Cc1cc(NC(=O)N[C@H](C)c2ccccc2O)cn2cc[nH+]c12 ZINC001205708892 1091317784 /nfs/dbraw/zinc/31/77/84/1091317784.db2.gz YUKBBTWWJLWMAP-GFCCVEGCSA-N 1 1 310.357 3.231 20 10 DGCDMO C[N@H+](Cc1cc2n(n1)CCCC2)Cc1ccc(N2CCCC2)cc1 ZINC001205708509 1091318756 /nfs/dbraw/zinc/31/87/56/1091318756.db2.gz BNKMGWZPHNZQBR-UHFFFAOYSA-N 1 1 324.472 3.452 20 10 DGCDMO C[N@@H+](Cc1cc2n(n1)CCCC2)Cc1ccc(N2CCCC2)cc1 ZINC001205708509 1091318767 /nfs/dbraw/zinc/31/87/67/1091318767.db2.gz BNKMGWZPHNZQBR-UHFFFAOYSA-N 1 1 324.472 3.452 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccc(C(N)=O)cc2)cc1Cl ZINC001205710903 1091319626 /nfs/dbraw/zinc/31/96/26/1091319626.db2.gz QZGYTESHXGWPST-UHFFFAOYSA-N 1 1 318.804 3.085 20 10 DGCDMO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001139124533 1091457083 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3.355 20 10 DGCDMO C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001139408989 1091552327 /nfs/dbraw/zinc/55/23/27/1091552327.db2.gz RQRYOECKTSJOIX-RBUKOAKNSA-N 1 1 313.489 3.060 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001139408989 1091552331 /nfs/dbraw/zinc/55/23/31/1091552331.db2.gz RQRYOECKTSJOIX-RBUKOAKNSA-N 1 1 313.489 3.060 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001139408989 1091552335 /nfs/dbraw/zinc/55/23/35/1091552335.db2.gz RQRYOECKTSJOIX-RBUKOAKNSA-N 1 1 313.489 3.060 20 10 DGCDMO C[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C ZINC001139408073 1091552481 /nfs/dbraw/zinc/55/24/81/1091552481.db2.gz JHDGNYRVFGIJKE-ZWKOTPCHSA-N 1 1 315.505 3.306 20 10 DGCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C ZINC001139408073 1091552486 /nfs/dbraw/zinc/55/24/86/1091552486.db2.gz JHDGNYRVFGIJKE-ZWKOTPCHSA-N 1 1 315.505 3.306 20 10 DGCDMO CCCC[N@@H+](CCC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139409325 1091552539 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CCOC(=O)[C@H]1CCCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674409 1091640053 /nfs/dbraw/zinc/64/00/53/1091640053.db2.gz YPEBWHKTOLNQIR-KRWDZBQOSA-N 1 1 318.461 3.226 20 10 DGCDMO CC[N@@H+](Cc1c[nH]c2ncnc(Cl)c12)Cc1ccccc1O ZINC001139937754 1091719005 /nfs/dbraw/zinc/71/90/05/1091719005.db2.gz AATYJSMQUNIXBJ-UHFFFAOYSA-N 1 1 316.792 3.291 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)Cc1ccccc1-c1cncnc1 ZINC001140021240 1091740753 /nfs/dbraw/zinc/74/07/53/1091740753.db2.gz MVISUAFGPFZXOY-UHFFFAOYSA-N 1 1 305.381 3.481 20 10 DGCDMO CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccccc1O ZINC001203001028 1091765424 /nfs/dbraw/zinc/76/54/24/1091765424.db2.gz QPYWIPHMYHKJFK-UHFFFAOYSA-N 1 1 308.422 3.081 20 10 DGCDMO COc1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)ccc1C ZINC001140162563 1091787758 /nfs/dbraw/zinc/78/77/58/1091787758.db2.gz ZSIZSTUESDJEMT-UHFFFAOYSA-N 1 1 313.397 3.363 20 10 DGCDMO CC[C@H]1[N@@H+](Cc2c(C)ccc(C)c2O)CCC[C@]12CCC(=O)N2 ZINC001140181385 1091793508 /nfs/dbraw/zinc/79/35/08/1091793508.db2.gz UBSOWTLBYMITRL-APWZRJJASA-N 1 1 316.445 3.032 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)c1O ZINC001140180003 1091793873 /nfs/dbraw/zinc/79/38/73/1091793873.db2.gz AYRPXEXJBNGYEK-UHFFFAOYSA-N 1 1 323.440 3.277 20 10 DGCDMO Cc1ccc(C)c(C[N@@H+](C)CCCNC(=O)OC(C)(C)C)c1O ZINC001140181263 1091794166 /nfs/dbraw/zinc/79/41/66/1091794166.db2.gz RZGFNXTVZLRGHK-UHFFFAOYSA-N 1 1 322.449 3.356 20 10 DGCDMO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3c(C)ccc(C)c3O)C2)n1 ZINC001140184999 1091795425 /nfs/dbraw/zinc/79/54/25/1091795425.db2.gz NTXISECWOABXJZ-MRXNPFEDSA-N 1 1 312.413 3.366 20 10 DGCDMO OC1CCN(c2ccc(C[N@@H+](CC3CC3)C3CC3)cc2)CC1 ZINC001140287215 1091817511 /nfs/dbraw/zinc/81/75/11/1091817511.db2.gz JPFLRLBUQOUXSG-UHFFFAOYSA-N 1 1 300.446 3.022 20 10 DGCDMO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342448 1091836199 /nfs/dbraw/zinc/83/61/99/1091836199.db2.gz JIPWHCUKHHSBLN-GFCCVEGCSA-N 1 1 311.809 3.211 20 10 DGCDMO COc1ccc(N2CC[NH+](Cc3cncc(C)c3)CC2)c(C)c1 ZINC001207162269 1091872189 /nfs/dbraw/zinc/87/21/89/1091872189.db2.gz WEOGNNNODIHPOU-UHFFFAOYSA-N 1 1 311.429 3.029 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CC[C@@]1(O)C(F)(F)F ZINC001140462856 1091876070 /nfs/dbraw/zinc/87/60/70/1091876070.db2.gz MSJHPVUHTVJIGX-RNCFNFMXSA-N 1 1 323.742 3.181 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC001207196122 1091882718 /nfs/dbraw/zinc/88/27/18/1091882718.db2.gz GXPCPSTXVTYGCT-OAHLLOKOSA-N 1 1 323.440 3.404 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC001207196122 1091882725 /nfs/dbraw/zinc/88/27/25/1091882725.db2.gz GXPCPSTXVTYGCT-OAHLLOKOSA-N 1 1 323.440 3.404 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c1 ZINC001140617454 1091932847 /nfs/dbraw/zinc/93/28/47/1091932847.db2.gz OVCRWOCRZAGGBL-CQSZACIVSA-N 1 1 307.390 3.227 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](CCNC(=O)OC(C)(C)C)C(C)C)c1 ZINC001140622733 1091933986 /nfs/dbraw/zinc/93/39/86/1091933986.db2.gz DREKZDFLOLPCOD-UHFFFAOYSA-N 1 1 322.449 3.436 20 10 DGCDMO Fc1cc(N2CCOCC2)ccc1C[N@H+]1CCCC2(CCC2)C1 ZINC001140667127 1091951715 /nfs/dbraw/zinc/95/17/15/1091951715.db2.gz IJIYDZUNRAFHPX-UHFFFAOYSA-N 1 1 318.436 3.428 20 10 DGCDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140664134 1091952334 /nfs/dbraw/zinc/95/23/34/1091952334.db2.gz ZSTJAGGQPKQPSJ-GASCZTMLSA-N 1 1 306.425 3.140 20 10 DGCDMO Cc1c(O)ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c1O ZINC001140749656 1091985208 /nfs/dbraw/zinc/98/52/08/1091985208.db2.gz IFMKRGVZKVPOPN-SUMWQHHRSA-N 1 1 313.397 3.368 20 10 DGCDMO CCCCN1CCC([N@H+](C)Cc2ccc(O)c(C)c2O)CC1 ZINC001140749743 1091985644 /nfs/dbraw/zinc/98/56/44/1091985644.db2.gz LJYOPEMJKNSXNE-UHFFFAOYSA-N 1 1 306.450 3.103 20 10 DGCDMO CCCCN1CCC([N@@H+](C)Cc2ccc(O)c(C)c2O)CC1 ZINC001140749743 1091985652 /nfs/dbraw/zinc/98/56/52/1091985652.db2.gz LJYOPEMJKNSXNE-UHFFFAOYSA-N 1 1 306.450 3.103 20 10 DGCDMO CCCC[NH+]1CCC(N(C)Cc2ccc(O)c(C)c2O)CC1 ZINC001140749743 1091985658 /nfs/dbraw/zinc/98/56/58/1091985658.db2.gz LJYOPEMJKNSXNE-UHFFFAOYSA-N 1 1 306.450 3.103 20 10 DGCDMO COc1ccc(CC[N@@H+](C)Cc2ccc(O)c(C)c2O)cc1 ZINC001140747431 1091985725 /nfs/dbraw/zinc/98/57/25/1091985725.db2.gz CREWBMZTUOZIRG-UHFFFAOYSA-N 1 1 301.386 3.089 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(O)c1 ZINC001140851065 1092028636 /nfs/dbraw/zinc/02/86/36/1092028636.db2.gz ZRDJFBWZINMCHW-QFBILLFUSA-N 1 1 318.461 3.239 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2CCOCC2)c(O)c1 ZINC001140850685 1092029938 /nfs/dbraw/zinc/02/99/38/1092029938.db2.gz QSGTVEAWKSJGCZ-UHFFFAOYSA-N 1 1 306.450 3.097 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](CC)CCCN(C)C)c(O)c1 ZINC001140857635 1092033305 /nfs/dbraw/zinc/03/33/05/1092033305.db2.gz UXRDUWYGZOWGMR-UHFFFAOYSA-N 1 1 307.482 3.012 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](CC)CCCN(C)C)c(O)c1 ZINC001140857635 1092033314 /nfs/dbraw/zinc/03/33/14/1092033314.db2.gz UXRDUWYGZOWGMR-UHFFFAOYSA-N 1 1 307.482 3.012 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)CC[C@]1(C)O ZINC001140921274 1092062954 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CC(C)(C)OC(=O)CCCC[NH2+]Cc1cc(F)c(F)cc1O ZINC001308899788 1111490613 /nfs/dbraw/zinc/49/06/13/1111490613.db2.gz BVYHNYKDXOMSCX-UHFFFAOYSA-N 1 1 315.360 3.272 20 10 DGCDMO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c1O ZINC000092729054 185336413 /nfs/dbraw/zinc/33/64/13/185336413.db2.gz MCBWGNWFDCXFMX-CQSZACIVSA-N 1 1 301.390 3.241 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c1O ZINC000092729054 185336414 /nfs/dbraw/zinc/33/64/14/185336414.db2.gz MCBWGNWFDCXFMX-CQSZACIVSA-N 1 1 301.390 3.241 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000106856774 432022978 /nfs/dbraw/zinc/02/29/78/432022978.db2.gz PQZMJKQPOACTBB-HNNXBMFYSA-N 1 1 320.433 3.108 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C3OCCO3)C2)cc1 ZINC000179374497 432055494 /nfs/dbraw/zinc/05/54/94/432055494.db2.gz SGQWENLXLXHHPV-KRWDZBQOSA-N 1 1 318.461 3.118 20 10 DGCDMO CC(C)[N@@H+](Cc1cn2cccnc2n1)Cc1ccc(N(C)C)cc1 ZINC000268549478 432102746 /nfs/dbraw/zinc/10/27/46/432102746.db2.gz ARHAAFIMGDKDRB-UHFFFAOYSA-N 1 1 323.444 3.206 20 10 DGCDMO CCCN1CCC([N@H+](C)Cc2cc(OCC)ccc2O)CC1 ZINC000092165825 193169437 /nfs/dbraw/zinc/16/94/37/193169437.db2.gz KODYODJUFMBINU-UHFFFAOYSA-N 1 1 306.450 3.097 20 10 DGCDMO CCCN1CCC([N@@H+](C)Cc2cc(OCC)ccc2O)CC1 ZINC000092165825 193169439 /nfs/dbraw/zinc/16/94/39/193169439.db2.gz KODYODJUFMBINU-UHFFFAOYSA-N 1 1 306.450 3.097 20 10 DGCDMO CCC[NH+]1CCC(N(C)Cc2cc(OCC)ccc2O)CC1 ZINC000092165825 193169440 /nfs/dbraw/zinc/16/94/40/193169440.db2.gz KODYODJUFMBINU-UHFFFAOYSA-N 1 1 306.450 3.097 20 10 DGCDMO CN(C)c1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563586 193268724 /nfs/dbraw/zinc/26/87/24/193268724.db2.gz OVXSOFGSFCSXOO-IBGZPJMESA-N 1 1 301.478 3.203 20 10 DGCDMO C[C@@H]([NH2+]Cc1nccn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268953394 432147990 /nfs/dbraw/zinc/14/79/90/432147990.db2.gz YEXFULPHUMXESH-CQSZACIVSA-N 1 1 316.424 3.400 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272742553 130059728 /nfs/dbraw/zinc/05/97/28/130059728.db2.gz BFSUCUKWTQXJHO-AEFFLSMTSA-N 1 1 315.505 3.495 20 10 DGCDMO C[C@@H](NCc1ccc(N(C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272742553 130059730 /nfs/dbraw/zinc/05/97/30/130059730.db2.gz BFSUCUKWTQXJHO-AEFFLSMTSA-N 1 1 315.505 3.495 20 10 DGCDMO C[C@@H](NCc1ccc(N(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272742553 130059732 /nfs/dbraw/zinc/05/97/32/130059732.db2.gz BFSUCUKWTQXJHO-AEFFLSMTSA-N 1 1 315.505 3.495 20 10 DGCDMO CC[C@@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)c1ccncc1 ZINC000273587982 130141095 /nfs/dbraw/zinc/14/10/95/130141095.db2.gz OJKGYCIYYHIGNX-MLGOLLRUSA-N 1 1 314.385 3.376 20 10 DGCDMO COCc1nc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000274798552 130262645 /nfs/dbraw/zinc/26/26/45/130262645.db2.gz OBAMAXFAUWIRCI-GFCCVEGCSA-N 1 1 305.447 3.206 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(F)cc1O ZINC000285820584 131204578 /nfs/dbraw/zinc/20/45/78/131204578.db2.gz WKEOGOQYZCQVBN-HUUCEWRRSA-N 1 1 306.381 3.468 20 10 DGCDMO CN(C)c1ccc(C[NH2+]Cc2cc(F)cnc2Cl)cc1F ZINC000294675411 131851869 /nfs/dbraw/zinc/85/18/69/131851869.db2.gz AVOBTCNFBNNPFF-UHFFFAOYSA-N 1 1 311.763 3.369 20 10 DGCDMO COC1(CC[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCC1 ZINC000292909719 292106897 /nfs/dbraw/zinc/10/68/97/292106897.db2.gz WWSFWZIWKYRVLK-KRWDZBQOSA-N 1 1 319.445 3.332 20 10 DGCDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)cn1 ZINC000083113896 401110563 /nfs/dbraw/zinc/11/05/63/401110563.db2.gz KFFYJXOBQJWASQ-OAHLLOKOSA-N 1 1 321.424 3.344 20 10 DGCDMO O=C(NCc1ccccc1O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000269138810 432153706 /nfs/dbraw/zinc/15/37/06/432153706.db2.gz LBLQKAUKVXKJDT-GOSISDBHSA-N 1 1 324.424 3.063 20 10 DGCDMO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000355127138 229304013 /nfs/dbraw/zinc/30/40/13/229304013.db2.gz SIPKSNKTPYLPNT-UHFFFAOYSA-N 1 1 311.433 3.123 20 10 DGCDMO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000111236475 431201219 /nfs/dbraw/zinc/20/12/19/431201219.db2.gz LQJMEKKHOCLYFE-HNNXBMFYSA-N 1 1 312.413 3.266 20 10 DGCDMO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000109769627 431180456 /nfs/dbraw/zinc/18/04/56/431180456.db2.gz ZOSYNQQDCSYJQQ-ZDUSSCGKSA-N 1 1 316.376 3.299 20 10 DGCDMO C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccccc1O ZINC000111235289 431199128 /nfs/dbraw/zinc/19/91/28/431199128.db2.gz VNJBQOYCMVUHFC-FQEVSTJZSA-N 1 1 324.424 3.092 20 10 DGCDMO COc1ccc(N2CCC[N@H+](Cc3nc(C)cs3)CC2)cc1 ZINC000088579226 431858628 /nfs/dbraw/zinc/85/86/28/431858628.db2.gz MVIXNSPQVWOWKT-UHFFFAOYSA-N 1 1 317.458 3.172 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3nc(C)cs3)CC2)cc1 ZINC000088579226 431858630 /nfs/dbraw/zinc/85/86/30/431858630.db2.gz MVIXNSPQVWOWKT-UHFFFAOYSA-N 1 1 317.458 3.172 20 10 DGCDMO CCOc1cccc(C[N@H+](C)Cc2ncc(CC)s2)c1O ZINC000093807574 431917584 /nfs/dbraw/zinc/91/75/84/431917584.db2.gz AOIXMOUHQFGBHF-UHFFFAOYSA-N 1 1 306.431 3.442 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)Cc2ncc(CC)s2)c1O ZINC000093807574 431917586 /nfs/dbraw/zinc/91/75/86/431917586.db2.gz AOIXMOUHQFGBHF-UHFFFAOYSA-N 1 1 306.431 3.442 20 10 DGCDMO CCOC[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000093838580 431917656 /nfs/dbraw/zinc/91/76/56/431917656.db2.gz RTMICBHYVJAWLB-LLVKDONJSA-N 1 1 314.223 3.013 20 10 DGCDMO c1ccc2[nH+]c(NCc3ccc(N4CCOCC4)cc3)[nH]c2c1 ZINC000270588806 432261365 /nfs/dbraw/zinc/26/13/65/432261365.db2.gz SCOVGUWAYJMNDI-UHFFFAOYSA-N 1 1 308.385 3.012 20 10 DGCDMO Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H](C)c1ccccc1O ZINC000183705442 432317547 /nfs/dbraw/zinc/31/75/47/432317547.db2.gz QIOLUIANDCONHU-ZDUSSCGKSA-N 1 1 313.401 3.105 20 10 DGCDMO CCN(CC)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192696832 432402395 /nfs/dbraw/zinc/40/23/95/432402395.db2.gz XJNWSTVQXMXQTI-JLYLLQBASA-N 1 1 301.478 3.248 20 10 DGCDMO CCN(CC)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192696832 432402402 /nfs/dbraw/zinc/40/24/02/432402402.db2.gz XJNWSTVQXMXQTI-JLYLLQBASA-N 1 1 301.478 3.248 20 10 DGCDMO CN(C)c1ccc(C[N@H+](C)Cc2nc3ccccc3n2C)cc1 ZINC000152871051 432364130 /nfs/dbraw/zinc/36/41/30/432364130.db2.gz JRCHJGDUJMHQOI-UHFFFAOYSA-N 1 1 308.429 3.271 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2nc3ccccc3n2C)cc1 ZINC000152871051 432364133 /nfs/dbraw/zinc/36/41/33/432364133.db2.gz JRCHJGDUJMHQOI-UHFFFAOYSA-N 1 1 308.429 3.271 20 10 DGCDMO c1ccc(C[N@H+]2CC[C@@H](CNCc3ccc4c(c3)CCO4)C2)cc1 ZINC000192932262 432431435 /nfs/dbraw/zinc/43/14/35/432431435.db2.gz FCPIPKLZFHMWEW-IBGZPJMESA-N 1 1 322.452 3.233 20 10 DGCDMO c1ccc(C[N@@H+]2CC[C@@H](CNCc3ccc4c(c3)CCO4)C2)cc1 ZINC000192932262 432431440 /nfs/dbraw/zinc/43/14/40/432431440.db2.gz FCPIPKLZFHMWEW-IBGZPJMESA-N 1 1 322.452 3.233 20 10 DGCDMO c1ccc(CN2CC[C@@H](C[NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000192932262 432431442 /nfs/dbraw/zinc/43/14/42/432431442.db2.gz FCPIPKLZFHMWEW-IBGZPJMESA-N 1 1 322.452 3.233 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCSC3(CCOCC3)C2)cc1C ZINC000184830766 432438760 /nfs/dbraw/zinc/43/87/60/432438760.db2.gz RTBMONZEMKFKMJ-UHFFFAOYSA-N 1 1 307.459 3.107 20 10 DGCDMO C[C@@H]([NH2+]CC1(C)OCCO1)c1cc(Cl)c(Cl)cc1O ZINC000193065723 432444961 /nfs/dbraw/zinc/44/49/61/432444961.db2.gz OTZZUBXQOZAYAH-MRVPVSSYSA-N 1 1 306.189 3.113 20 10 DGCDMO CCCCN1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000192844589 432420898 /nfs/dbraw/zinc/42/08/98/432420898.db2.gz QYDXLUMOFNZFCD-CQSZACIVSA-N 1 1 306.450 3.316 20 10 DGCDMO Cc1nc2sccn2c1C[N@H+](C)Cc1cccc(C)c1O ZINC000271714552 432421764 /nfs/dbraw/zinc/42/17/64/432421764.db2.gz ICRYCJWDLGSNNE-UHFFFAOYSA-N 1 1 301.415 3.350 20 10 DGCDMO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000186176864 432565579 /nfs/dbraw/zinc/56/55/79/432565579.db2.gz OXOOPFGQTXKHQG-LLVKDONJSA-N 1 1 305.397 3.240 20 10 DGCDMO CCOc1ccc(O)c(CNCC(C)(C)C[NH+]2CCCC2)c1 ZINC000276608253 432822181 /nfs/dbraw/zinc/82/21/81/432822181.db2.gz DVCHEUWJWBVTSX-UHFFFAOYSA-N 1 1 306.450 3.003 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC3(C2)CCOCC3)c1O ZINC000267343263 432833927 /nfs/dbraw/zinc/83/39/27/432833927.db2.gz CUVYDLANIQVYGH-UHFFFAOYSA-N 1 1 323.820 3.251 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC3(C2)CCOCC3)c1O ZINC000267343263 432833929 /nfs/dbraw/zinc/83/39/29/432833929.db2.gz CUVYDLANIQVYGH-UHFFFAOYSA-N 1 1 323.820 3.251 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)[C@@H](C)c2ccco2)ccc1[N+](=O)[O-] ZINC000278192200 432889674 /nfs/dbraw/zinc/88/96/74/432889674.db2.gz HZURNKLZLHKBKC-JTQLQIEISA-N 1 1 306.318 3.095 20 10 DGCDMO COc1cccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c1O ZINC000245551533 432843370 /nfs/dbraw/zinc/84/33/70/432843370.db2.gz BMAMFFRUWVKJKP-KDOFPFPSSA-N 1 1 313.397 3.363 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(SC)CCC2)c1 ZINC000279027855 432927122 /nfs/dbraw/zinc/92/71/22/432927122.db2.gz IECXRJOAHFRSJE-NSHDSACASA-N 1 1 309.431 3.115 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000289987133 432980126 /nfs/dbraw/zinc/98/01/26/432980126.db2.gz SDJJLNSTMPGWJP-INIZCTEOSA-N 1 1 304.825 3.050 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2c2cn(C)nc2C)c1 ZINC000373175195 433113303 /nfs/dbraw/zinc/11/33/03/433113303.db2.gz FQEIHOYAMHGNKU-KRWDZBQOSA-N 1 1 315.417 3.170 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000373824235 433165999 /nfs/dbraw/zinc/16/59/99/433165999.db2.gz JIZYJVSKJMFLMV-GFCCVEGCSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000373824235 433166008 /nfs/dbraw/zinc/16/60/08/433166008.db2.gz JIZYJVSKJMFLMV-GFCCVEGCSA-N 1 1 313.800 3.433 20 10 DGCDMO CO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000374681368 433256694 /nfs/dbraw/zinc/25/66/94/433256694.db2.gz VCFJCIAQQJXFRB-AWEZNQCLSA-N 1 1 311.809 3.249 20 10 DGCDMO CO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000374681368 433256701 /nfs/dbraw/zinc/25/67/01/433256701.db2.gz VCFJCIAQQJXFRB-AWEZNQCLSA-N 1 1 311.809 3.249 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2snnc2C)cc1F ZINC000291663483 433306371 /nfs/dbraw/zinc/30/63/71/433306371.db2.gz FIMHPGPUEBUFRC-UHFFFAOYSA-N 1 1 308.426 3.122 20 10 DGCDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC000374996536 433329842 /nfs/dbraw/zinc/32/98/42/433329842.db2.gz UEHLCUHTAVQWFH-CVEARBPZSA-N 1 1 313.376 3.085 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC000375301377 433415590 /nfs/dbraw/zinc/41/55/90/433415590.db2.gz GHFHITNXWRFDKY-INIZCTEOSA-N 1 1 311.809 3.057 20 10 DGCDMO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000292796225 433594613 /nfs/dbraw/zinc/59/46/13/433594613.db2.gz MZYKIQVCPIWSRG-FQEVSTJZSA-N 1 1 313.489 3.205 20 10 DGCDMO C[N@H+]1CC[C@]2(CCN(Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000292796225 433594617 /nfs/dbraw/zinc/59/46/17/433594617.db2.gz MZYKIQVCPIWSRG-FQEVSTJZSA-N 1 1 313.489 3.205 20 10 DGCDMO CN1CC[C@]2(CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000292796225 433594619 /nfs/dbraw/zinc/59/46/19/433594619.db2.gz MZYKIQVCPIWSRG-FQEVSTJZSA-N 1 1 313.489 3.205 20 10 DGCDMO CN1CC[C@]2(CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000292796225 433594621 /nfs/dbraw/zinc/59/46/21/433594621.db2.gz MZYKIQVCPIWSRG-FQEVSTJZSA-N 1 1 313.489 3.205 20 10 DGCDMO CCCC[N@@H+](Cc1cn2cccnc2n1)Cc1ccccc1O ZINC000282476192 433612558 /nfs/dbraw/zinc/61/25/58/433612558.db2.gz OGZCFBJNFPBUEW-UHFFFAOYSA-N 1 1 310.401 3.237 20 10 DGCDMO CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293506764 433761224 /nfs/dbraw/zinc/76/12/24/433761224.db2.gz AHEAZXFAQQILFP-NSHDSACASA-N 1 1 300.805 3.006 20 10 DGCDMO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000293678562 433823342 /nfs/dbraw/zinc/82/33/42/433823342.db2.gz KDNMVFHGVVAMKB-DOMZBBRYSA-N 1 1 310.413 3.124 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1F ZINC000293678941 433823841 /nfs/dbraw/zinc/82/38/41/433823841.db2.gz POSUEFVKKAETSJ-SFHVURJKSA-N 1 1 318.436 3.283 20 10 DGCDMO CCC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCOCC1 ZINC000293722508 433841713 /nfs/dbraw/zinc/84/17/13/433841713.db2.gz VREJMBVYVSRROY-UHFFFAOYSA-N 1 1 301.789 3.481 20 10 DGCDMO CO[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000377243662 433850345 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ZINC000893998786 618691660 /nfs/dbraw/zinc/69/16/60/618691660.db2.gz AEXJROOFRSSOLS-UKRRQHHQSA-N 1 1 323.433 3.046 20 10 DGCDMO CCN1CC[C@H]([N@H+](C)Cc2cc(C)cc(OC)c2O)C[C@H]1C ZINC000894044005 618698730 /nfs/dbraw/zinc/69/87/30/618698730.db2.gz HPYDSVDCAQGCFT-ZBFHGGJFSA-N 1 1 306.450 3.014 20 10 DGCDMO CCN1CC[C@H]([N@@H+](C)Cc2cc(C)cc(OC)c2O)C[C@H]1C ZINC000894044005 618698732 /nfs/dbraw/zinc/69/87/32/618698732.db2.gz HPYDSVDCAQGCFT-ZBFHGGJFSA-N 1 1 306.450 3.014 20 10 DGCDMO COC1(OC)CC2(C[N@@H+](Cc3cc(C)ccc3O)[C@@H]2C(C)C)C1 ZINC000895988160 618857933 /nfs/dbraw/zinc/85/79/33/618857933.db2.gz AHLMZERDDIYNMC-QGZVFWFLSA-N 1 1 319.445 3.310 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896227019 618888411 /nfs/dbraw/zinc/88/84/11/618888411.db2.gz JYOFNLYMNNIZNU-CYBMUJFWSA-N 1 1 319.298 3.267 20 10 DGCDMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc4ccccc4c3O)C2)no1 ZINC000896232246 618889715 /nfs/dbraw/zinc/88/97/15/618889715.db2.gz JMQCZMBJTWAJOW-HNNXBMFYSA-N 1 1 309.369 3.226 20 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/nfs/dbraw/zinc/04/03/26/619040326.db2.gz XABJCURTOYLGPG-MRXNPFEDSA-N 1 1 319.445 3.348 20 10 DGCDMO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1[N+](=O)[O-] ZINC000897459598 619130192 /nfs/dbraw/zinc/13/01/92/619130192.db2.gz MRBVCNFCQRTUEK-SNVBAGLBSA-N 1 1 322.311 3.472 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(Cl)cc1O ZINC000841758431 619163979 /nfs/dbraw/zinc/16/39/79/619163979.db2.gz MBQQTQOOSGNIBJ-OCCSQVGLSA-N 1 1 305.805 3.472 20 10 DGCDMO COc1cccc(O)c1CNC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000841037447 619207615 /nfs/dbraw/zinc/20/76/15/619207615.db2.gz QHMAFEVHMBVEES-QGZVFWFLSA-N 1 1 314.429 3.314 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898064966 619210340 /nfs/dbraw/zinc/21/03/40/619210340.db2.gz PBSGQMXGTFYCOJ-XHDPSFHLSA-N 1 1 311.784 3.234 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1O ZINC000898067883 619211285 /nfs/dbraw/zinc/21/12/85/619211285.db2.gz IOUCMYJKUOUHOB-ZDUSSCGKSA-N 1 1 302.443 3.476 20 10 DGCDMO COc1ccc(C[N@@H+](CCCO)Cc2ccc(C)cc2O)cc1 ZINC000898173070 619220567 /nfs/dbraw/zinc/22/05/67/619220567.db2.gz ICKGMMPAIYYBBH-UHFFFAOYSA-N 1 1 315.413 3.094 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(C(F)F)cc2)cc1 ZINC000841040922 619242057 /nfs/dbraw/zinc/24/20/57/619242057.db2.gz CQBRJWMFUJOVFT-QGZVFWFLSA-N 1 1 319.399 3.480 20 10 DGCDMO Cc1nnc(CC[N@H+](C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000929185678 619244574 /nfs/dbraw/zinc/24/45/74/619244574.db2.gz XREAGJSLFHABJK-UHFFFAOYSA-N 1 1 314.433 3.043 20 10 DGCDMO C[C@H]([NH2+]CCc1nc2c(s1)CCC2)c1c(O)cccc1F ZINC000926928358 619250208 /nfs/dbraw/zinc/25/02/08/619250208.db2.gz DMWGYBXJEKAQSZ-JTQLQIEISA-N 1 1 306.406 3.370 20 10 DGCDMO CC[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1ccc(F)cc1O ZINC000926963147 619253208 /nfs/dbraw/zinc/25/32/08/619253208.db2.gz MNXFMVFQRRQRKP-TZMCWYRMSA-N 1 1 322.346 3.455 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1c(O)cccc1F ZINC000927002616 619256183 /nfs/dbraw/zinc/25/61/83/619256183.db2.gz WJWRTZXLQJEWAB-NWDGAFQWSA-N 1 1 324.396 3.191 20 10 DGCDMO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccn1 ZINC000898449660 619276100 /nfs/dbraw/zinc/27/61/00/619276100.db2.gz IQJNPURZZTXIRE-DNVCBOLYSA-N 1 1 312.461 3.101 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1O ZINC000898512328 619281921 /nfs/dbraw/zinc/28/19/21/619281921.db2.gz ISXZHINRIPZZMZ-HOTGVXAUSA-N 1 1 319.445 3.348 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000898516053 619282995 /nfs/dbraw/zinc/28/29/95/619282995.db2.gz KRQPILBXSQNBIR-CVEARBPZSA-N 1 1 319.445 3.430 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000898516412 619283451 /nfs/dbraw/zinc/28/34/51/619283451.db2.gz RPCUQWVTDLNKOH-GJZGRUSLSA-N 1 1 305.418 3.039 20 10 DGCDMO C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(Cl)c(Cl)c1[O-] ZINC000902470394 619642329 /nfs/dbraw/zinc/64/23/29/619642329.db2.gz WMMMXWPBOXYUQX-LDDIKCJXSA-N 1 1 301.217 3.243 20 10 DGCDMO CCO[C@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000902527131 619649326 /nfs/dbraw/zinc/64/93/26/619649326.db2.gz AKCVDQSFCNFCGD-HNNXBMFYSA-N 1 1 301.386 3.165 20 10 DGCDMO C[C@@H]([NH2+][C@H](CO)CCc1ccccc1)c1c(O)cccc1F ZINC000903288123 619754435 /nfs/dbraw/zinc/75/44/35/619754435.db2.gz KCSZSICFMCAQDJ-HIFRSBDPSA-N 1 1 303.377 3.176 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cscn1 ZINC000903447833 619778303 /nfs/dbraw/zinc/77/83/03/619778303.db2.gz CWYJLXUHWLVXBY-DYVFJYSZSA-N 1 1 318.490 3.163 20 10 DGCDMO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cscn1 ZINC000903447835 619778335 /nfs/dbraw/zinc/77/83/35/619778335.db2.gz CWYJLXUHWLVXBY-SUMWQHHRSA-N 1 1 318.490 3.163 20 10 DGCDMO COc1ccc(N2CC[C@H](NC[C@H]([NH3+])CCC(C)(C)C)C2)cc1 ZINC000904376542 619918260 /nfs/dbraw/zinc/91/82/60/619918260.db2.gz BCXOGKRXTIEEDJ-CVEARBPZSA-N 1 1 319.493 3.017 20 10 DGCDMO Cc1cc(Cl)cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841086264 620225008 /nfs/dbraw/zinc/22/50/08/620225008.db2.gz GWMRLOOMHJDTEW-CJNGLKHVSA-N 1 1 308.853 3.318 20 10 DGCDMO COC(=O)CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C(C)C ZINC000112959529 620864356 /nfs/dbraw/zinc/86/43/56/620864356.db2.gz JWVVQZAOYNLLIU-UHFFFAOYSA-N 1 1 323.433 3.169 20 10 DGCDMO CC(C)OCC[C@@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000788069342 620888432 /nfs/dbraw/zinc/88/84/32/620888432.db2.gz ZZVHTJZAZIBCME-LJQANCHMSA-N 1 1 322.493 3.139 20 10 DGCDMO Cc1cc(Br)cc([C@@H](C)NC[C@@H]([NH3+])C(C)C)c1O ZINC000817958769 620894937 /nfs/dbraw/zinc/89/49/37/620894937.db2.gz MHATWOARCQPWCF-ZWNOBZJWSA-N 1 1 315.255 3.097 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCCO[C@@H]1CCCCO1 ZINC000922234525 621010909 /nfs/dbraw/zinc/01/09/09/621010909.db2.gz YKALLIJUJSWYDJ-CQSZACIVSA-N 1 1 317.788 3.208 20 10 DGCDMO CCOc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c(O)c1 ZINC000922524516 621050659 /nfs/dbraw/zinc/05/06/59/621050659.db2.gz DPKMYQFECDRNKW-YJBOKZPZSA-N 1 1 317.360 3.352 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1F ZINC000857061896 621053107 /nfs/dbraw/zinc/05/31/07/621053107.db2.gz WIQPMBMSOPGPBK-GDBMZVCRSA-N 1 1 308.441 3.122 20 10 DGCDMO Cc1cc(CO)cc(C)c1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000922562246 621055874 /nfs/dbraw/zinc/05/58/74/621055874.db2.gz IZSSCSNBQDGQEB-UHFFFAOYSA-N 1 1 307.340 3.069 20 10 DGCDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858136986 621157002 /nfs/dbraw/zinc/15/70/02/621157002.db2.gz BXZDJFJKAXADMP-VIFPVBQESA-N 1 1 309.360 3.486 20 10 DGCDMO CN(C)c1cc(F)c(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC000858185927 621162558 /nfs/dbraw/zinc/16/25/58/621162558.db2.gz KGQFVGNTADDWDV-DLBZAZTESA-N 1 1 323.431 3.137 20 10 DGCDMO CN(C)c1cc(F)c(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC000858185927 621162560 /nfs/dbraw/zinc/16/25/60/621162560.db2.gz KGQFVGNTADDWDV-DLBZAZTESA-N 1 1 323.431 3.137 20 10 DGCDMO CN(C)c1ccc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000858221333 621166039 /nfs/dbraw/zinc/16/60/39/621166039.db2.gz GHDZAPBYEPRBKV-LJQANCHMSA-N 1 1 301.478 3.249 20 10 DGCDMO CN(C)c1ccc(CNC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000858221333 621166040 /nfs/dbraw/zinc/16/60/40/621166040.db2.gz GHDZAPBYEPRBKV-LJQANCHMSA-N 1 1 301.478 3.249 20 10 DGCDMO CN(C)c1ccc(/C=C/CNC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858286211 621171918 /nfs/dbraw/zinc/17/19/18/621171918.db2.gz UUQCXUXSFUZVJB-XJDXJNMNSA-N 1 1 313.489 3.372 20 10 DGCDMO CN(C)c1ccc(/C=C/CNC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000858286211 621171920 /nfs/dbraw/zinc/17/19/20/621171920.db2.gz UUQCXUXSFUZVJB-XJDXJNMNSA-N 1 1 313.489 3.372 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc(Cl)cc1O ZINC000858480389 621196633 /nfs/dbraw/zinc/19/66/33/621196633.db2.gz SPHDAAJQPBNKGL-JQWIXIFHSA-N 1 1 318.795 3.426 20 10 DGCDMO CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000858495785 621197993 /nfs/dbraw/zinc/19/79/93/621197993.db2.gz KEOBONIMZYMZCF-GFCCVEGCSA-N 1 1 316.376 3.365 20 10 DGCDMO Cc1cc(C[N@H+](C)CC2(C)COC2)ccc1N1CCCCC1 ZINC000859571192 621293024 /nfs/dbraw/zinc/29/30/24/621293024.db2.gz HAMBOQHMRNUQPG-UHFFFAOYSA-N 1 1 302.462 3.454 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC000839192027 621347072 /nfs/dbraw/zinc/34/70/72/621347072.db2.gz GEVGYHZQQCUVQR-ZDUSSCGKSA-N 1 1 323.433 3.201 20 10 DGCDMO CCOc1ccc(C[NH2+][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)c(O)c1 ZINC000752923785 621416071 /nfs/dbraw/zinc/41/60/71/621416071.db2.gz GSQOIAUURAILSG-RYUDHWBXSA-N 1 1 318.421 3.273 20 10 DGCDMO CCOc1ccc(C[NH2+][C@H](C)c2nnc([C@@H](C)CC)[nH]2)c(O)c1 ZINC000752923784 621416221 /nfs/dbraw/zinc/41/62/21/621416221.db2.gz GSQOIAUURAILSG-NWDGAFQWSA-N 1 1 318.421 3.273 20 10 DGCDMO COc1cc(C)cc(CN2CCC[N@H+](C(C)(C)C)CC2)c1O ZINC000754720771 621527629 /nfs/dbraw/zinc/52/76/29/621527629.db2.gz PLWALRRMGUQVKC-UHFFFAOYSA-N 1 1 306.450 3.015 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CCCN(C(C)(C)C)CC2)c1O ZINC000754720771 621527631 /nfs/dbraw/zinc/52/76/31/621527631.db2.gz PLWALRRMGUQVKC-UHFFFAOYSA-N 1 1 306.450 3.015 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCN(C(C)(C)C)CC2)c1O ZINC000754720771 621527632 /nfs/dbraw/zinc/52/76/32/621527632.db2.gz PLWALRRMGUQVKC-UHFFFAOYSA-N 1 1 306.450 3.015 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1F ZINC000862228929 621564398 /nfs/dbraw/zinc/56/43/98/621564398.db2.gz KXDAVNXOCSEEQP-GFCCVEGCSA-N 1 1 320.387 3.134 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CCS1 ZINC000862346853 621576177 /nfs/dbraw/zinc/57/61/77/621576177.db2.gz ZVTXBWZWMGCEMF-NSHDSACASA-N 1 1 300.418 3.358 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CCS1 ZINC000862346852 621576434 /nfs/dbraw/zinc/57/64/34/621576434.db2.gz ZVTXBWZWMGCEMF-LLVKDONJSA-N 1 1 300.418 3.358 20 10 DGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862351970 621577093 /nfs/dbraw/zinc/57/70/93/621577093.db2.gz XJSIEBZFUUVNLU-KRWDZBQOSA-N 1 1 312.404 3.422 20 10 DGCDMO COCC1(C2CCC2)C[NH+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862412007 621586699 /nfs/dbraw/zinc/58/66/99/621586699.db2.gz ISHJKFVAASROPO-UHFFFAOYSA-N 1 1 324.415 3.279 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)c(O)c1 ZINC000862540492 621598831 /nfs/dbraw/zinc/59/88/31/621598831.db2.gz GRPTYRXHMFWXPW-OAHLLOKOSA-N 1 1 313.397 3.486 20 10 DGCDMO C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000862551697 621600888 /nfs/dbraw/zinc/60/08/88/621600888.db2.gz XSTYHYYSCNQXEP-DHCBQETCSA-N 1 1 320.389 3.487 20 10 DGCDMO C/C=C\C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000862551697 621600889 /nfs/dbraw/zinc/60/08/89/621600889.db2.gz XSTYHYYSCNQXEP-DHCBQETCSA-N 1 1 320.389 3.487 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](c3ccc(F)cc3)C1)OCO2 ZINC000755928544 621604419 /nfs/dbraw/zinc/60/44/19/621604419.db2.gz YGXHUAAJYSITJD-ZDUSSCGKSA-N 1 1 315.344 3.250 20 10 DGCDMO COCC(C)(C)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000756077726 621614017 /nfs/dbraw/zinc/61/40/17/621614017.db2.gz SOJNUSJMWMXHKP-MRXNPFEDSA-N 1 1 307.434 3.046 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2cccc(F)c2)c1 ZINC000756360355 621631096 /nfs/dbraw/zinc/63/10/96/621631096.db2.gz RXVGHSGHOJDTDU-GFCCVEGCSA-N 1 1 317.360 3.211 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)CCc2ccco2)c1 ZINC000756357806 621631117 /nfs/dbraw/zinc/63/11/17/621631117.db2.gz PSFBNMXPKQVUFJ-STQMWFEESA-N 1 1 317.385 3.444 20 10 DGCDMO CC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756534667 621646114 /nfs/dbraw/zinc/64/61/14/621646114.db2.gz MFWRXWQTFWGWIN-DOMZBBRYSA-N 1 1 306.425 3.401 20 10 DGCDMO CCC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756578005 621650805 /nfs/dbraw/zinc/65/08/05/621650805.db2.gz UQHLDGIBLCRITA-RKDXNWHRSA-N 1 1 320.202 3.105 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1O ZINC000756686944 621658221 /nfs/dbraw/zinc/65/82/21/621658221.db2.gz UHBSMWOUNRKLIB-VIFPVBQESA-N 1 1 308.284 3.429 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863294574 621661548 /nfs/dbraw/zinc/66/15/48/621661548.db2.gz JITDFTBKMFFCEU-KGLIPLIRSA-N 1 1 300.427 3.410 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CCOc3cc(F)ccc3C2)c1O ZINC000863340737 621664707 /nfs/dbraw/zinc/66/47/07/621664707.db2.gz QFJBDOPKHDIKEJ-UHFFFAOYSA-N 1 1 317.360 3.243 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCOc3cc(F)ccc3C2)c1O ZINC000863340737 621664708 /nfs/dbraw/zinc/66/47/08/621664708.db2.gz QFJBDOPKHDIKEJ-UHFFFAOYSA-N 1 1 317.360 3.243 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)C(C)(C)O ZINC000756820569 621666732 /nfs/dbraw/zinc/66/67/32/621666732.db2.gz YHHUJONALKALBM-JGVFFNPUSA-N 1 1 320.202 3.104 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000756887132 621670560 /nfs/dbraw/zinc/67/05/60/621670560.db2.gz MWMNGURSNYHQMX-CZUORRHYSA-N 1 1 319.445 3.396 20 10 DGCDMO CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000839621347 621701488 /nfs/dbraw/zinc/70/14/88/621701488.db2.gz IWLDWEHLIMJKGV-OWCLPIDISA-N 1 1 318.461 3.392 20 10 DGCDMO C[NH+](C)Cc1ccc(NCc2ccc(F)c(F)c2O)cc1F ZINC000864031251 621729275 /nfs/dbraw/zinc/72/92/75/621729275.db2.gz YPBFFPDNSLQRKQ-UHFFFAOYSA-N 1 1 310.319 3.483 20 10 DGCDMO C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000757640479 621730767 /nfs/dbraw/zinc/73/07/67/621730767.db2.gz XEZKOFIBLNMOGC-GXTWGEPZSA-N 1 1 306.425 3.401 20 10 DGCDMO COc1cccc(O)c1CN(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000757903017 621745800 /nfs/dbraw/zinc/74/58/00/621745800.db2.gz LYDHAWXUFFCVEL-UHFFFAOYSA-N 1 1 316.401 3.053 20 10 DGCDMO COc1cc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c(O)cc1C ZINC000758291775 621773275 /nfs/dbraw/zinc/77/32/75/621773275.db2.gz QEHXEBGBCXDUOI-LJQANCHMSA-N 1 1 319.445 3.490 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000758975081 621815896 /nfs/dbraw/zinc/81/58/96/621815896.db2.gz YZISOOUSJYVLGX-UHFFFAOYSA-N 1 1 319.445 3.398 20 10 DGCDMO COc1ccc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1C ZINC000760469953 621942828 /nfs/dbraw/zinc/94/28/28/621942828.db2.gz JJDWBBBBGUCKRB-HNNXBMFYSA-N 1 1 322.412 3.435 20 10 DGCDMO CCN(CC)c1ccc(CN(C)CCC[NH+]2CCCC2)cc1 ZINC000760808387 621966712 /nfs/dbraw/zinc/96/67/12/621966712.db2.gz JZRPIZNRBNHXHC-UHFFFAOYSA-N 1 1 303.494 3.451 20 10 DGCDMO CC[N@H+](CCC1CC1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000761225389 621995826 /nfs/dbraw/zinc/99/58/26/621995826.db2.gz GOEUPQBSAUWNJF-UHFFFAOYSA-N 1 1 301.478 3.060 20 10 DGCDMO CC[N@@H+](CCC1CC1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000761225389 621995827 /nfs/dbraw/zinc/99/58/27/621995827.db2.gz GOEUPQBSAUWNJF-UHFFFAOYSA-N 1 1 301.478 3.060 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)c2ccnn2C)c1 ZINC000865839431 622005063 /nfs/dbraw/zinc/00/50/63/622005063.db2.gz VZSXZPLKUJUKOT-JTQLQIEISA-N 1 1 324.222 3.047 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cnc(C)s2)c1 ZINC000866454860 622121293 /nfs/dbraw/zinc/12/12/93/622121293.db2.gz HKQYJBIYJXJUQC-NXEZZACHSA-N 1 1 320.414 3.356 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cnc(C)s2)c1 ZINC000866454863 622121569 /nfs/dbraw/zinc/12/15/69/622121569.db2.gz HKQYJBIYJXJUQC-UWVGGRQHSA-N 1 1 320.414 3.356 20 10 DGCDMO C[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1ccc(F)cc1O ZINC000866572532 622140878 /nfs/dbraw/zinc/14/08/78/622140878.db2.gz BXJGLYXXVVAOOO-GFCCVEGCSA-N 1 1 313.376 3.311 20 10 DGCDMO COc1ccc(C[N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000122709442 622389206 /nfs/dbraw/zinc/38/92/06/622389206.db2.gz FFXVDCNHARXUMP-UHFFFAOYSA-N 1 1 317.360 3.375 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC000122709442 622389209 /nfs/dbraw/zinc/38/92/09/622389209.db2.gz FFXVDCNHARXUMP-UHFFFAOYSA-N 1 1 317.360 3.375 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1c(O)cccc1OC ZINC000768134752 622440962 /nfs/dbraw/zinc/44/09/62/622440962.db2.gz UFXLHOZVYTUYQZ-UHFFFAOYSA-N 1 1 314.429 3.489 20 10 DGCDMO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1c(O)cccc1Cl ZINC000768185505 622444092 /nfs/dbraw/zinc/44/40/92/622444092.db2.gz YRKKQXJAMRRWLE-UHFFFAOYSA-N 1 1 319.788 3.449 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)CCOc2ccccc2F)c1 ZINC000768212570 622445375 /nfs/dbraw/zinc/44/53/75/622445375.db2.gz LQEFOIFRBYVXKV-UHFFFAOYSA-N 1 1 319.376 3.441 20 10 DGCDMO CC[N@@H+](CCOC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768252592 622447471 /nfs/dbraw/zinc/44/74/71/622447471.db2.gz UVLFXIXHJOAYOZ-UHFFFAOYSA-N 1 1 321.421 3.053 20 10 DGCDMO CCc1ccc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768437966 622455734 /nfs/dbraw/zinc/45/57/34/622455734.db2.gz LOHDTICFSOIXGA-SFHVURJKSA-N 1 1 313.397 3.012 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cccs1)[C@@H](O)CO2 ZINC000768442096 622455952 /nfs/dbraw/zinc/45/59/52/622455952.db2.gz OUXNDXDYGKQGSR-HIFRSBDPSA-N 1 1 317.410 3.217 20 10 DGCDMO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)c(O)cc1C ZINC000768441371 622456310 /nfs/dbraw/zinc/45/63/10/622456310.db2.gz KFLXVAGMHVFHRO-OAHLLOKOSA-N 1 1 302.374 3.343 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)c(O)cc1C ZINC000768441371 622456311 /nfs/dbraw/zinc/45/63/11/622456311.db2.gz KFLXVAGMHVFHRO-OAHLLOKOSA-N 1 1 302.374 3.343 20 10 DGCDMO C[C@H](C[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O)c1ccccc1 ZINC000768449042 622456943 /nfs/dbraw/zinc/45/69/43/622456943.db2.gz DARQYBBEQLIJHF-FZKQIMNGSA-N 1 1 313.397 3.054 20 10 DGCDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462481 622457921 /nfs/dbraw/zinc/45/79/21/622457921.db2.gz LXBGOYKFDNJPAH-PBHICJAKSA-N 1 1 305.418 3.219 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1c1ccccc1 ZINC000768465607 622458115 /nfs/dbraw/zinc/45/81/15/622458115.db2.gz IVPKJZBORJKJBV-LLSQANQASA-N 1 1 311.381 3.011 20 10 DGCDMO CCN(CC)CC[N@@H+](Cc1c(O)cccc1OC)CC(C)C ZINC000768741394 622473604 /nfs/dbraw/zinc/47/36/04/622473604.db2.gz FGCQBNYSXMFHHP-UHFFFAOYSA-N 1 1 308.466 3.201 20 10 DGCDMO CCN(CC)CC[N@H+](Cc1c(O)cccc1OC)CC(C)C ZINC000768741394 622473606 /nfs/dbraw/zinc/47/36/06/622473606.db2.gz FGCQBNYSXMFHHP-UHFFFAOYSA-N 1 1 308.466 3.201 20 10 DGCDMO C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000768950548 622487591 /nfs/dbraw/zinc/48/75/91/622487591.db2.gz AAUGBAAMSVSQTM-MRXNPFEDSA-N 1 1 301.478 3.107 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000769107126 622499285 /nfs/dbraw/zinc/49/92/85/622499285.db2.gz UDNLVSKWOBVIRU-KUHUBIRLSA-N 1 1 313.397 3.363 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)Cc1ccccc1-n1cncn1 ZINC000769200946 622507319 /nfs/dbraw/zinc/50/73/19/622507319.db2.gz JWYRDJQEUJSXRC-UHFFFAOYSA-N 1 1 322.412 3.385 20 10 DGCDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1c(O)cccc1OC ZINC000769326909 622518288 /nfs/dbraw/zinc/51/82/88/622518288.db2.gz QTNFMZMHVPFYKC-AWEZNQCLSA-N 1 1 315.413 3.472 20 10 DGCDMO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000769326397 622518315 /nfs/dbraw/zinc/51/83/15/622518315.db2.gz LJDKOGMGHNNAFR-IBGZPJMESA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCN(C3CC3)C2)cc1 ZINC000769326397 622518317 /nfs/dbraw/zinc/51/83/17/622518317.db2.gz LJDKOGMGHNNAFR-IBGZPJMESA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCN(C3CC3)C2)cc1 ZINC000769326397 622518320 /nfs/dbraw/zinc/51/83/20/622518320.db2.gz LJDKOGMGHNNAFR-IBGZPJMESA-N 1 1 301.478 3.201 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCc3c(F)cccc3C2)c(O)c1 ZINC000769387008 622523353 /nfs/dbraw/zinc/52/33/53/622523353.db2.gz HACZPWJBVOHMIR-UHFFFAOYSA-N 1 1 301.361 3.488 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000769390162 622523901 /nfs/dbraw/zinc/52/39/01/622523901.db2.gz RBBATBHRJUIQIG-CYBMUJFWSA-N 1 1 301.386 3.169 20 10 DGCDMO Cc1ccc(C[C@H](C)[N@@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000769464415 622530022 /nfs/dbraw/zinc/53/00/22/622530022.db2.gz WNLPJKGZUPCTQP-AWEZNQCLSA-N 1 1 313.397 3.492 20 10 DGCDMO CCOc1cccc(C[N@H+](C)[C@@H]2C[C@@H](OCC)C2(C)C)c1O ZINC000769472910 622531369 /nfs/dbraw/zinc/53/13/69/622531369.db2.gz KRVJSMPDFOSTOR-HZPDHXFCSA-N 1 1 307.434 3.426 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2CC(=O)OC)cc1F ZINC000769485187 622532942 /nfs/dbraw/zinc/53/29/42/622532942.db2.gz ZGJRCSGHQRRRAY-HNNXBMFYSA-N 1 1 322.424 3.199 20 10 DGCDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769484605 622532967 /nfs/dbraw/zinc/53/29/67/622532967.db2.gz XMWYCEYSRIVUCQ-QGZVFWFLSA-N 1 1 322.452 3.470 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)[C@H](CC)CN1C(C)=O ZINC000769499189 622534433 /nfs/dbraw/zinc/53/44/33/622534433.db2.gz YJOVVNAERUKSDY-QZTJIDSGSA-N 1 1 318.461 3.230 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000769504215 622535034 /nfs/dbraw/zinc/53/50/34/622535034.db2.gz QCSXFGGWJJUGSV-INIZCTEOSA-N 1 1 312.413 3.477 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c(O)c1 ZINC000769519594 622537082 /nfs/dbraw/zinc/53/70/82/622537082.db2.gz TVFQIQODXAGOLX-OAHLLOKOSA-N 1 1 305.418 3.039 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000769528289 622537895 /nfs/dbraw/zinc/53/78/95/622537895.db2.gz UGYCSZYBEPHQFN-HNNXBMFYSA-N 1 1 305.418 3.397 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](C)CCOCc1ccccc1 ZINC000770307481 622619686 /nfs/dbraw/zinc/61/96/86/622619686.db2.gz YFOFJQXOSPUTMP-UHFFFAOYSA-N 1 1 301.386 3.049 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)c(O)c1 ZINC000770305956 622619815 /nfs/dbraw/zinc/61/98/15/622619815.db2.gz WYFOHUIIQPRBJT-QGZVFWFLSA-N 1 1 315.417 3.170 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c(O)c1 ZINC000770319680 622621441 /nfs/dbraw/zinc/62/14/41/622621441.db2.gz AMDIVHWPQDWJTC-RHSMWYFYSA-N 1 1 315.417 3.071 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000770510157 622640557 /nfs/dbraw/zinc/64/05/57/622640557.db2.gz ZPFZQIWZHNSDJD-LJQANCHMSA-N 1 1 310.441 3.489 20 10 DGCDMO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000770614074 622652483 /nfs/dbraw/zinc/65/24/83/622652483.db2.gz CQQDUFFUKMEVPE-CABCVRRESA-N 1 1 315.417 3.231 20 10 DGCDMO COc1ccc(N2CCC[N@@H+]([C@H](C)c3ncc(C)o3)CC2)cc1 ZINC000771441789 622759600 /nfs/dbraw/zinc/75/96/00/622759600.db2.gz FSAHBPQTDSQBCR-OAHLLOKOSA-N 1 1 315.417 3.265 20 10 DGCDMO COc1ccc(N2CCC[N@H+]([C@H](C)c3ncc(C)o3)CC2)cc1 ZINC000771441789 622759606 /nfs/dbraw/zinc/75/96/06/622759606.db2.gz FSAHBPQTDSQBCR-OAHLLOKOSA-N 1 1 315.417 3.265 20 10 DGCDMO Cc1cnc([C@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000771445569 622760798 /nfs/dbraw/zinc/76/07/98/622760798.db2.gz WVZRXSISIJVBIX-HNNXBMFYSA-N 1 1 315.417 3.013 20 10 DGCDMO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000771445569 622760802 /nfs/dbraw/zinc/76/08/02/622760802.db2.gz WVZRXSISIJVBIX-HNNXBMFYSA-N 1 1 315.417 3.013 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2nn(C)c3ccccc23)cc1 ZINC000771934843 622820359 /nfs/dbraw/zinc/82/03/59/622820359.db2.gz BUJUXGTYHGHTCK-UHFFFAOYSA-N 1 1 308.429 3.271 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](C(F)F)CC2)c(Cl)c1 ZINC000872253561 622868324 /nfs/dbraw/zinc/86/83/24/622868324.db2.gz CNSJZYIMHKURFU-ZDUSSCGKSA-N 1 1 305.752 3.210 20 10 DGCDMO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230019 623082904 /nfs/dbraw/zinc/08/29/04/623082904.db2.gz KYCIINJMOQGRQS-JSGCOSHPSA-N 1 1 301.217 3.073 20 10 DGCDMO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230018 623083265 /nfs/dbraw/zinc/08/32/65/623083265.db2.gz KYCIINJMOQGRQS-GXTWGEPZSA-N 1 1 301.217 3.073 20 10 DGCDMO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c2c1c(F)ccc2[O-] ZINC000873244523 623089259 /nfs/dbraw/zinc/08/92/59/623089259.db2.gz MITFFRGYQYYDCV-MBNYWOFBSA-N 1 1 306.425 3.447 20 10 DGCDMO C[C@H]([NH2+]CCc1cnccn1)c1cc(Cl)c(Cl)cc1O ZINC000774271366 623127283 /nfs/dbraw/zinc/12/72/83/623127283.db2.gz IZOFBMJBOQIQCC-VIFPVBQESA-N 1 1 312.200 3.382 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775111666 623232016 /nfs/dbraw/zinc/23/20/16/623232016.db2.gz OAJYHSDIPFSPFN-UTUOFQBUSA-N 1 1 308.378 3.175 20 10 DGCDMO COc1c(O)c(C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775111666 623232018 /nfs/dbraw/zinc/23/20/18/623232018.db2.gz OAJYHSDIPFSPFN-UTUOFQBUSA-N 1 1 308.378 3.175 20 10 DGCDMO COC[C@@H](CC(C)C)[NH2+]Cc1cccc(Br)c1O ZINC000775145041 623234911 /nfs/dbraw/zinc/23/49/11/623234911.db2.gz HNSURLBRGLSSTC-GFCCVEGCSA-N 1 1 316.239 3.305 20 10 DGCDMO C[C@@H]([NH2+]C/C(Cl)=C/Cl)c1ccc(N2CCOCC2)cc1 ZINC000775255053 623246612 /nfs/dbraw/zinc/24/66/12/623246612.db2.gz NTGJQJOIHITBJK-XTCQQWIJSA-N 1 1 315.244 3.493 20 10 DGCDMO CCOC(C[N@H+](Cc1ccco1)Cc1ccccc1O)OCC ZINC000124942706 623258776 /nfs/dbraw/zinc/25/87/76/623258776.db2.gz WBAWRQLGZHTZPB-UHFFFAOYSA-N 1 1 319.401 3.387 20 10 DGCDMO CCOC(C[N@@H+](Cc1ccco1)Cc1ccccc1O)OCC ZINC000124942706 623258778 /nfs/dbraw/zinc/25/87/78/623258778.db2.gz WBAWRQLGZHTZPB-UHFFFAOYSA-N 1 1 319.401 3.387 20 10 DGCDMO CC(C)[C@@H](C)[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000775637300 623300712 /nfs/dbraw/zinc/30/07/12/623300712.db2.gz ONUJEFQJIOMOFM-QGZVFWFLSA-N 1 1 315.505 3.447 20 10 DGCDMO CC(C)[C@@H](C)[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000775637300 623300716 /nfs/dbraw/zinc/30/07/16/623300716.db2.gz ONUJEFQJIOMOFM-QGZVFWFLSA-N 1 1 315.505 3.447 20 10 DGCDMO CC[N@H+](Cc1cccc(C)c1O)C[C@H]1COc2ccccc2O1 ZINC000775642594 623301146 /nfs/dbraw/zinc/30/11/46/623301146.db2.gz MJPLFNJPYNMJCS-INIZCTEOSA-N 1 1 313.397 3.363 20 10 DGCDMO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(C)c1O ZINC000775643188 623301943 /nfs/dbraw/zinc/30/19/43/623301943.db2.gz OCBVHVBLSPTCPW-UHFFFAOYSA-N 1 1 312.413 3.334 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C(C)(C)C)cc2)CC1 ZINC000775678993 623311949 /nfs/dbraw/zinc/31/19/49/623311949.db2.gz KVZAZOADAFUTBL-IBGZPJMESA-N 1 1 315.505 3.449 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H]3C(C)(C)C)cc2)CC1 ZINC000775678993 623311950 /nfs/dbraw/zinc/31/19/50/623311950.db2.gz KVZAZOADAFUTBL-IBGZPJMESA-N 1 1 315.505 3.449 20 10 DGCDMO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775708877 623317378 /nfs/dbraw/zinc/31/73/78/623317378.db2.gz PIJJXCCBOLAPTF-SJLPKXTDSA-N 1 1 301.478 3.059 20 10 DGCDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775708877 623317380 /nfs/dbraw/zinc/31/73/80/623317380.db2.gz PIJJXCCBOLAPTF-SJLPKXTDSA-N 1 1 301.478 3.059 20 10 DGCDMO CC[N@@H+]1C[C@H](C)N(Cc2cc(Cl)cc(F)c2O)C[C@H]1C ZINC000775711987 623317449 /nfs/dbraw/zinc/31/74/49/623317449.db2.gz LQQBZMCJWZGNBZ-MNOVXSKESA-N 1 1 300.805 3.099 20 10 DGCDMO CC[N@H+]1C[C@H](C)N(Cc2cc(Cl)cc(F)c2O)C[C@H]1C ZINC000775711987 623317450 /nfs/dbraw/zinc/31/74/50/623317450.db2.gz LQQBZMCJWZGNBZ-MNOVXSKESA-N 1 1 300.805 3.099 20 10 DGCDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)C1 ZINC000775717913 623317926 /nfs/dbraw/zinc/31/79/26/623317926.db2.gz VFJASADHGZFLGW-NHYWBVRUSA-N 1 1 314.832 3.347 20 10 DGCDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)C1 ZINC000775717913 623317930 /nfs/dbraw/zinc/31/79/30/623317930.db2.gz VFJASADHGZFLGW-NHYWBVRUSA-N 1 1 314.832 3.347 20 10 DGCDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)C1 ZINC000775717913 623317933 /nfs/dbraw/zinc/31/79/33/623317933.db2.gz VFJASADHGZFLGW-NHYWBVRUSA-N 1 1 314.832 3.347 20 10 DGCDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)C1 ZINC000775717914 623318263 /nfs/dbraw/zinc/31/82/63/623318263.db2.gz VFJASADHGZFLGW-XHDPSFHLSA-N 1 1 314.832 3.347 20 10 DGCDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)C1 ZINC000775717914 623318267 /nfs/dbraw/zinc/31/82/67/623318267.db2.gz VFJASADHGZFLGW-XHDPSFHLSA-N 1 1 314.832 3.347 20 10 DGCDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)C1 ZINC000775717914 623318271 /nfs/dbraw/zinc/31/82/71/623318271.db2.gz VFJASADHGZFLGW-XHDPSFHLSA-N 1 1 314.832 3.347 20 10 DGCDMO COc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)nc1 ZINC000775943294 623355508 /nfs/dbraw/zinc/35/55/08/623355508.db2.gz XDUOOYUPPWVIBO-UHFFFAOYSA-N 1 1 311.429 3.321 20 10 DGCDMO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775998174 623362311 /nfs/dbraw/zinc/36/23/11/623362311.db2.gz DSLQLOWRMGPSCY-APWZRJJASA-N 1 1 301.478 3.059 20 10 DGCDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775998174 623362316 /nfs/dbraw/zinc/36/23/16/623362316.db2.gz DSLQLOWRMGPSCY-APWZRJJASA-N 1 1 301.478 3.059 20 10 DGCDMO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775998177 623362765 /nfs/dbraw/zinc/36/27/65/623362765.db2.gz DSLQLOWRMGPSCY-LPHOPBHVSA-N 1 1 301.478 3.059 20 10 DGCDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775998177 623362771 /nfs/dbraw/zinc/36/27/71/623362771.db2.gz DSLQLOWRMGPSCY-LPHOPBHVSA-N 1 1 301.478 3.059 20 10 DGCDMO Cc1c(C[N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)cnn1C ZINC000790419930 625652166 /nfs/dbraw/zinc/65/21/66/625652166.db2.gz DVUDOGFAVNPQPW-UHFFFAOYSA-N 1 1 317.433 3.069 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H](n3cncn3)C2)c(O)c(C(C)(C)C)c1 ZINC000776774377 623462666 /nfs/dbraw/zinc/46/26/66/623462666.db2.gz BSZMLUCPUYXUPA-OAHLLOKOSA-N 1 1 314.433 3.037 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1F ZINC000777223544 623506959 /nfs/dbraw/zinc/50/69/59/623506959.db2.gz ZEZVAZVDEJAHRZ-GOSISDBHSA-N 1 1 306.425 3.283 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cc1F ZINC000777223544 623506962 /nfs/dbraw/zinc/50/69/62/623506962.db2.gz ZEZVAZVDEJAHRZ-GOSISDBHSA-N 1 1 306.425 3.283 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777438915 623525006 /nfs/dbraw/zinc/52/50/06/623525006.db2.gz SLQFWAAJXYNHMC-QGZVFWFLSA-N 1 1 321.779 3.278 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1O ZINC000777440478 623526204 /nfs/dbraw/zinc/52/62/04/623526204.db2.gz XKURIJNLYJGKSB-MRXNPFEDSA-N 1 1 305.418 3.182 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000777557892 623541589 /nfs/dbraw/zinc/54/15/89/623541589.db2.gz OHPQRLIQLJRMMF-HXUWFJFHSA-N 1 1 322.408 3.105 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3nccnc3c2)cc1 ZINC000876511229 623631167 /nfs/dbraw/zinc/63/11/67/623631167.db2.gz BIBQFMSHTCNEFH-UHFFFAOYSA-N 1 1 306.413 3.328 20 10 DGCDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876613865 623660003 /nfs/dbraw/zinc/66/00/03/623660003.db2.gz WVXDHTAEJFZELN-MRXNPFEDSA-N 1 1 302.462 3.270 20 10 DGCDMO Cc1cccc(O)c1C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000876728631 623690895 /nfs/dbraw/zinc/69/08/95/623690895.db2.gz QZVPNBYDDUNLSZ-CYBMUJFWSA-N 1 1 308.422 3.046 20 10 DGCDMO [O-]c1c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc(F)c1F ZINC000876753863 623698215 /nfs/dbraw/zinc/69/82/15/623698215.db2.gz BDGQMBYTNPCKJO-AWEZNQCLSA-N 1 1 310.388 3.121 20 10 DGCDMO [O-]c1c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc(F)c1F ZINC000876753863 623698218 /nfs/dbraw/zinc/69/82/18/623698218.db2.gz BDGQMBYTNPCKJO-AWEZNQCLSA-N 1 1 310.388 3.121 20 10 DGCDMO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cc(F)ccc1O ZINC000778995395 623718149 /nfs/dbraw/zinc/71/81/49/623718149.db2.gz RJPAVVFIQPLNFL-UHFFFAOYSA-N 1 1 316.376 3.164 20 10 DGCDMO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(F)ccc1O ZINC000778995395 623718153 /nfs/dbraw/zinc/71/81/53/623718153.db2.gz RJPAVVFIQPLNFL-UHFFFAOYSA-N 1 1 316.376 3.164 20 10 DGCDMO CC1(C)C[N@@H+](Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000779015374 623720199 /nfs/dbraw/zinc/72/01/99/623720199.db2.gz UGNAVFVYLDXWMU-UHFFFAOYSA-N 1 1 310.441 3.489 20 10 DGCDMO CCOC[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000779075289 623727595 /nfs/dbraw/zinc/72/75/95/623727595.db2.gz XPYHOLQMOVCGAA-IUCAKERBSA-N 1 1 320.202 3.369 20 10 DGCDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000779605717 623781222 /nfs/dbraw/zinc/78/12/22/623781222.db2.gz XSHUEDMCSBQUAR-HNNXBMFYSA-N 1 1 305.418 3.112 20 10 DGCDMO Cc1ccc(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)c(O)c1 ZINC000877149568 623808827 /nfs/dbraw/zinc/80/88/27/623808827.db2.gz CQQFANPUEGDUQB-OAHLLOKOSA-N 1 1 301.390 3.448 20 10 DGCDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877175044 623818482 /nfs/dbraw/zinc/81/84/82/623818482.db2.gz XFOIXEQUCBVPJL-CQSZACIVSA-N 1 1 305.418 3.112 20 10 DGCDMO Cc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000877486949 623908235 /nfs/dbraw/zinc/90/82/35/623908235.db2.gz ONGMDDVJJDMDHH-SFHVURJKSA-N 1 1 310.441 3.312 20 10 DGCDMO OC1CCN(c2ccc(C[N@@H+](CC3CC3)C3CCC3)cc2)CC1 ZINC000877493151 623910323 /nfs/dbraw/zinc/91/03/23/623910323.db2.gz HGCQGKDZBFHJAW-UHFFFAOYSA-N 1 1 314.473 3.412 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000877567265 623944973 /nfs/dbraw/zinc/94/49/73/623944973.db2.gz HZGJJHKPAUTRNM-SJORKVTESA-N 1 1 301.430 3.482 20 10 DGCDMO Cc1ccc(C[N@@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c(O)c1 ZINC000877572916 623948090 /nfs/dbraw/zinc/94/80/90/623948090.db2.gz UEJGXMQFVXRDDL-ZDUSSCGKSA-N 1 1 316.367 3.017 20 10 DGCDMO C[C@H]1[C@@H](C)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000877594565 623955677 /nfs/dbraw/zinc/95/56/77/623955677.db2.gz VGRHNYYHXOMJJL-BZUAXINKSA-N 1 1 302.462 3.124 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877645244 623976753 /nfs/dbraw/zinc/97/67/53/623976753.db2.gz FRZGYXDBXWMHPX-INIZCTEOSA-N 1 1 318.804 3.232 20 10 DGCDMO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877672647 623986774 /nfs/dbraw/zinc/98/67/74/623986774.db2.gz JOWUOEWHJZDJLD-SJORKVTESA-N 1 1 301.361 3.229 20 10 DGCDMO CCC1([NH+](C)C)CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000877689275 623992690 /nfs/dbraw/zinc/99/26/90/623992690.db2.gz DBABNROWGJGBEE-UHFFFAOYSA-N 1 1 314.832 3.491 20 10 DGCDMO Oc1c(Br)cccc1C[N@@H+]1CCCSCC1 ZINC000780893518 623995663 /nfs/dbraw/zinc/99/56/63/623995663.db2.gz QITMQKSBRGVEIC-UHFFFAOYSA-N 1 1 302.237 3.094 20 10 DGCDMO Oc1c(Br)cccc1C[N@H+]1CCCSCC1 ZINC000780893518 623995666 /nfs/dbraw/zinc/99/56/66/623995666.db2.gz QITMQKSBRGVEIC-UHFFFAOYSA-N 1 1 302.237 3.094 20 10 DGCDMO COc1c(O)c(C[NH2+]CCC[C@@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000877807546 624040249 /nfs/dbraw/zinc/04/02/49/624040249.db2.gz WZBJTASZKGKFQW-GFCCVEGCSA-N 1 1 306.362 3.145 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@H](C(F)(F)F)O1 ZINC000877824302 624056044 /nfs/dbraw/zinc/05/60/44/624056044.db2.gz QZMCXEYPRADATI-TVQRCGJNSA-N 1 1 307.287 3.073 20 10 DGCDMO Cc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1O ZINC000877825417 624057403 /nfs/dbraw/zinc/05/74/03/624057403.db2.gz ZYEVIMBVCSHARO-DGCLKSJQSA-N 1 1 303.324 3.242 20 10 DGCDMO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000781526425 624087790 /nfs/dbraw/zinc/08/77/90/624087790.db2.gz DCLWQXGDYVFANZ-CQSZACIVSA-N 1 1 311.809 3.272 20 10 DGCDMO COC(=O)[C@H]1CCCCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000781526425 624087793 /nfs/dbraw/zinc/08/77/93/624087793.db2.gz DCLWQXGDYVFANZ-CQSZACIVSA-N 1 1 311.809 3.272 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](C[C@H]3CC(C)(C)CO3)CC2)cc1 ZINC000877983123 624124271 /nfs/dbraw/zinc/12/42/71/624124271.db2.gz GPNPKVVISJUUGF-GOSISDBHSA-N 1 1 318.461 3.022 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)[C@H](CCO)c2ccccc2)cc1F ZINC000126885651 624162878 /nfs/dbraw/zinc/16/28/78/624162878.db2.gz GIWALDPTQJMAKO-GOSISDBHSA-N 1 1 316.420 3.447 20 10 DGCDMO CO[C@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781895768 624166640 /nfs/dbraw/zinc/16/66/40/624166640.db2.gz DKTQBGXVEPJNJR-LBPRGKRZSA-N 1 1 314.223 3.074 20 10 DGCDMO CO[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781895768 624166642 /nfs/dbraw/zinc/16/66/42/624166642.db2.gz DKTQBGXVEPJNJR-LBPRGKRZSA-N 1 1 314.223 3.074 20 10 DGCDMO Cc1cc(Br)c([O-])c(CN(C)Cc2ccon2)c1 ZINC000781913994 624170357 /nfs/dbraw/zinc/17/03/57/624170357.db2.gz VMQBLMDGWGIWTO-UHFFFAOYSA-N 1 1 311.179 3.083 20 10 DGCDMO Cc1ccc(C[N@H+](CCO)Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000783602769 624373493 /nfs/dbraw/zinc/37/34/93/624373493.db2.gz LVOQTPWYWVUAQQ-UHFFFAOYSA-N 1 1 316.420 3.195 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000129643529 625716078 /nfs/dbraw/zinc/71/60/78/625716078.db2.gz KJKBDOSXPGHEJF-UHFFFAOYSA-N 1 1 305.418 3.150 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCOC3(CCC3)C2)c1 ZINC000129643529 625716085 /nfs/dbraw/zinc/71/60/85/625716085.db2.gz KJKBDOSXPGHEJF-UHFFFAOYSA-N 1 1 305.418 3.150 20 10 DGCDMO Cc1cc(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)ccc1N(C)C ZINC000880051002 624767913 /nfs/dbraw/zinc/76/79/13/624767913.db2.gz QDONGGUGYSQPLJ-HNNXBMFYSA-N 1 1 316.367 3.214 20 10 DGCDMO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000786574834 624922325 /nfs/dbraw/zinc/92/23/25/624922325.db2.gz GQQRLOJFGBESKX-DJLDLDEBSA-N 1 1 320.202 3.368 20 10 DGCDMO Oc1ccccc1C[N@H+](C[C@@H](O)CC(F)(F)F)C1CCCC1 ZINC000787245669 624991528 /nfs/dbraw/zinc/99/15/28/624991528.db2.gz KNPKDDIBLPCYLZ-AWEZNQCLSA-N 1 1 317.351 3.450 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCN1Cc2ccccc2C1 ZINC000790959049 625723854 /nfs/dbraw/zinc/72/38/54/625723854.db2.gz VXBZRSCQFSLAST-UHFFFAOYSA-N 1 1 320.795 3.290 20 10 DGCDMO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790966410 625724346 /nfs/dbraw/zinc/72/43/46/625724346.db2.gz OJGXXLPPQSDWMW-IAQYHMDHSA-N 1 1 323.795 3.439 20 10 DGCDMO C[C@@](CO)([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000790966658 625724909 /nfs/dbraw/zinc/72/49/09/625724909.db2.gz YHKVDQREQANTDP-INIZCTEOSA-N 1 1 309.768 3.182 20 10 DGCDMO C[NH+](C)[C@H]1CCOc2c(NC(=O)C3=CC(=O)CS3)cccc21 ZINC000791039752 625743674 /nfs/dbraw/zinc/74/36/74/625743674.db2.gz XTBMXACUGVOELL-ZDUSSCGKSA-N 1 1 318.398 3.091 20 10 DGCDMO C[C@H](c1ccccc1F)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000129734871 625756285 /nfs/dbraw/zinc/75/62/85/625756285.db2.gz SUCSYARLRAZPIR-LLVKDONJSA-N 1 1 303.333 3.453 20 10 DGCDMO C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882892248 625848865 /nfs/dbraw/zinc/84/88/65/625848865.db2.gz RKNJSRVAOGVIMD-CYBMUJFWSA-N 1 1 312.404 3.415 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1Cc1ccccc1)OCO2 ZINC000026232861 625862320 /nfs/dbraw/zinc/86/23/20/625862320.db2.gz FGIYHVZYALZBST-INIZCTEOSA-N 1 1 311.381 3.328 20 10 DGCDMO CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000882981728 625882160 /nfs/dbraw/zinc/88/21/60/625882160.db2.gz RXMRHDBUCDLXNX-UHFFFAOYSA-N 1 1 320.383 3.412 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCCSc1nccs1 ZINC000883012477 625896779 /nfs/dbraw/zinc/89/67/79/625896779.db2.gz HXVDLWMUFVASJB-UHFFFAOYSA-N 1 1 316.398 3.399 20 10 DGCDMO C[C@@H](O)C[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000883041397 625908036 /nfs/dbraw/zinc/90/80/36/625908036.db2.gz LDUYVTKOAIICJY-TZMCWYRMSA-N 1 1 321.367 3.315 20 10 DGCDMO Oc1ccc(Cl)c(F)c1CN1CC[NH+](C2CCCC2)CC1 ZINC000792162058 625917184 /nfs/dbraw/zinc/91/71/84/625917184.db2.gz ADLQCUNCEHRYSG-UHFFFAOYSA-N 1 1 312.816 3.245 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000883076300 625917482 /nfs/dbraw/zinc/91/74/82/625917482.db2.gz ZJFLPMLJBJPHRV-MAZHCROVSA-N 1 1 309.356 3.108 20 10 DGCDMO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883132060 625938112 /nfs/dbraw/zinc/93/81/12/625938112.db2.gz DVQPXTDHOONHKY-JTQLQIEISA-N 1 1 313.266 3.118 20 10 DGCDMO COC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1cccc(OC)c1 ZINC000883167158 625950717 /nfs/dbraw/zinc/95/07/17/625950717.db2.gz REFNJCSWXKEFBW-MRXNPFEDSA-N 1 1 323.339 3.156 20 10 DGCDMO CC[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000796680470 626072856 /nfs/dbraw/zinc/07/28/56/626072856.db2.gz SPLLMPZQGQFJHB-JKIFEVAISA-N 1 1 324.440 3.071 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000796772262 626081168 /nfs/dbraw/zinc/08/11/68/626081168.db2.gz PQWIAKNWJBEUHB-GUDVDZBRSA-N 1 1 301.478 3.023 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(F)cc1O ZINC000796795958 626084449 /nfs/dbraw/zinc/08/44/49/626084449.db2.gz FSOPGZFDZZFOCR-BLLLJJGKSA-N 1 1 307.365 3.016 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1O ZINC000796837324 626088373 /nfs/dbraw/zinc/08/83/73/626088373.db2.gz WOFGEKQBNWATDA-ZBFHGGJFSA-N 1 1 323.408 3.300 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(F)cc1O ZINC000797131398 626116731 /nfs/dbraw/zinc/11/67/31/626116731.db2.gz GBRRZZIMBCFZDQ-IPQOISQHSA-N 1 1 321.417 3.261 20 10 DGCDMO COc1cccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c1O ZINC000797468631 626145251 /nfs/dbraw/zinc/14/52/51/626145251.db2.gz OQOOIIANLJMTRR-UHFFFAOYSA-N 1 1 315.266 3.247 20 10 DGCDMO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000798184620 626200920 /nfs/dbraw/zinc/20/09/20/626200920.db2.gz ZKJSHMNAELDDAY-DCAQKATOSA-N 1 1 305.340 3.469 20 10 DGCDMO COc1cc(C[N@@H+]2CCOc3cccc(F)c3C2)c(O)cc1C ZINC000800855817 626379814 /nfs/dbraw/zinc/37/98/14/626379814.db2.gz OJQVKCKDKLEIQQ-UHFFFAOYSA-N 1 1 317.360 3.243 20 10 DGCDMO COc1cc(C[N@H+]2CCOc3cccc(F)c3C2)c(O)cc1C ZINC000800855817 626379817 /nfs/dbraw/zinc/37/98/17/626379817.db2.gz OJQVKCKDKLEIQQ-UHFFFAOYSA-N 1 1 317.360 3.243 20 10 DGCDMO CCCC[N@@H+](CC(=O)N1CCC[C@H](C)C1)Cc1ccccc1O ZINC000801596076 626411468 /nfs/dbraw/zinc/41/14/68/626411468.db2.gz NYRSEXYPWAUDLU-INIZCTEOSA-N 1 1 318.461 3.253 20 10 DGCDMO CCCC[N@@H+](CCOC[C@@H]1CCCO1)Cc1ccccc1O ZINC000801597161 626411650 /nfs/dbraw/zinc/41/16/50/626411650.db2.gz CPXQGINCDJHJMJ-KRWDZBQOSA-N 1 1 307.434 3.190 20 10 DGCDMO CCCCNC(=O)[C@H](C)[N@@H+](CCCC)Cc1ccccc1O ZINC000801598514 626411929 /nfs/dbraw/zinc/41/19/29/626411929.db2.gz BGHBDEWWZKBWGI-HNNXBMFYSA-N 1 1 306.450 3.299 20 10 DGCDMO Cn1cc(-c2ccc(C[N@@H+](C)Cc3ccccc3O)s2)cn1 ZINC000802637611 626564045 /nfs/dbraw/zinc/56/40/45/626564045.db2.gz FTXPJLFWRFFMCX-UHFFFAOYSA-N 1 1 313.426 3.486 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCOc3cccc(F)c3C2)c(O)c1 ZINC000802656741 626565434 /nfs/dbraw/zinc/56/54/34/626565434.db2.gz TVUGTPKVKXCTEI-UHFFFAOYSA-N 1 1 317.360 3.325 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCOc3cccc(F)c3C2)c(O)c1 ZINC000802656741 626565436 /nfs/dbraw/zinc/56/54/36/626565436.db2.gz TVUGTPKVKXCTEI-UHFFFAOYSA-N 1 1 317.360 3.325 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000802658109 626565863 /nfs/dbraw/zinc/56/58/63/626565863.db2.gz KBJBCJVLEFOLNY-UHFFFAOYSA-N 1 1 300.358 3.283 20 10 DGCDMO CCc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)[nH+]c1 ZINC000883383927 626668256 /nfs/dbraw/zinc/66/82/56/626668256.db2.gz IXPZHGGPHWFRAF-UHFFFAOYSA-N 1 1 311.429 3.217 20 10 DGCDMO COC[C@@H]1CC[N@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000840083693 626745807 /nfs/dbraw/zinc/74/58/07/626745807.db2.gz QBOWSXXJFIDULY-LBPRGKRZSA-N 1 1 301.386 3.238 20 10 DGCDMO CN1CCC[C@@]2(CC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)C1 ZINC000840085984 626751704 /nfs/dbraw/zinc/75/17/04/626751704.db2.gz JIDGCIIPMLNDKU-HXUWFJFHSA-N 1 1 314.473 3.189 20 10 DGCDMO CN1CCC[C@@]2(CC[N@@H+](Cc3cc4c(cc3O)CCCC4)C2)C1 ZINC000840085984 626751707 /nfs/dbraw/zinc/75/17/07/626751707.db2.gz JIDGCIIPMLNDKU-HXUWFJFHSA-N 1 1 314.473 3.189 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)CCC2 ZINC000840118728 626770350 /nfs/dbraw/zinc/77/03/50/626770350.db2.gz ZSHYCFPTTYLNJP-GUDVDZBRSA-N 1 1 315.457 3.396 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000884482806 626887420 /nfs/dbraw/zinc/88/74/20/626887420.db2.gz ICQCLRLLALRBJH-GUYCJALGSA-N 1 1 319.445 3.396 20 10 DGCDMO Oc1ccc2oc3c(c2c1C[N@@H+]1CCO[C@H](CF)C1)CCCC3 ZINC000840172186 626907675 /nfs/dbraw/zinc/90/76/75/626907675.db2.gz NEBCRIKAAPXWST-GFCCVEGCSA-N 1 1 319.376 3.188 20 10 DGCDMO Oc1ccc2oc3c(c2c1C[N@H+]1CCO[C@H](CF)C1)CCCC3 ZINC000840172186 626907676 /nfs/dbraw/zinc/90/76/76/626907676.db2.gz NEBCRIKAAPXWST-GFCCVEGCSA-N 1 1 319.376 3.188 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCSC3(CCC3)CC2)cc1OC ZINC000840173354 626910150 /nfs/dbraw/zinc/91/01/50/626910150.db2.gz AJYKFHFLKWIAGT-UHFFFAOYSA-N 1 1 323.458 3.271 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCOc3ccc(C)cc3C2)c1 ZINC000809702960 626938767 /nfs/dbraw/zinc/93/87/67/626938767.db2.gz BGFSWDSQYYKNBL-UHFFFAOYSA-N 1 1 313.397 3.494 20 10 DGCDMO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000809711369 626939730 /nfs/dbraw/zinc/93/97/30/626939730.db2.gz VOZSLGKPDUQUGK-INIZCTEOSA-N 1 1 313.397 3.444 20 10 DGCDMO COc1cccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1O ZINC000809739758 626943917 /nfs/dbraw/zinc/94/39/17/626943917.db2.gz DHMNLUDBEYEGRB-UHFFFAOYSA-N 1 1 311.740 3.189 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000809747721 626946005 /nfs/dbraw/zinc/94/60/05/626946005.db2.gz VAXGWSSALNZINC-AWEZNQCLSA-N 1 1 309.768 3.398 20 10 DGCDMO CC[C@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O)OC ZINC000810260728 626994943 /nfs/dbraw/zinc/99/49/43/626994943.db2.gz NMKOYKWIVSMHFN-DTWKUNHWSA-N 1 1 320.202 3.369 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1c(O)cccc1F ZINC000886489496 627152079 /nfs/dbraw/zinc/15/20/79/627152079.db2.gz KHYUXJLOAMIQGH-NEPJUHHUSA-N 1 1 303.333 3.022 20 10 DGCDMO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2c(O)cccc2F)cc1 ZINC000886522432 627156945 /nfs/dbraw/zinc/15/69/45/627156945.db2.gz JCTWCCISTTXHSY-GFCCVEGCSA-N 1 1 316.376 3.383 20 10 DGCDMO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886532918 627158166 /nfs/dbraw/zinc/15/81/66/627158166.db2.gz RAHGSIYKDTXRPN-JQWIXIFHSA-N 1 1 305.397 3.163 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1c(O)cccc1F ZINC000886548183 627160920 /nfs/dbraw/zinc/16/09/20/627160920.db2.gz YMKGHYKICXWYNQ-PXAZEXFGSA-N 1 1 301.361 3.496 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1c(O)cccc1F ZINC000886553894 627162596 /nfs/dbraw/zinc/16/25/96/627162596.db2.gz XRDBRDPSOHHGOL-HWWQOWPSSA-N 1 1 311.422 3.237 20 10 DGCDMO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886561976 627163837 /nfs/dbraw/zinc/16/38/37/627163837.db2.gz NWQFBCXOPVQHCV-LBPRGKRZSA-N 1 1 305.397 3.165 20 10 DGCDMO C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1c(O)cccc1F ZINC000886594150 627169472 /nfs/dbraw/zinc/16/94/72/627169472.db2.gz GUPIRHGTPDOSEK-LBPRGKRZSA-N 1 1 314.360 3.353 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1c(O)cccc1F ZINC000886603113 627170931 /nfs/dbraw/zinc/17/09/31/627170931.db2.gz HKHZKOXYYANVLT-WDEREUQCSA-N 1 1 312.385 3.095 20 10 DGCDMO CNC(=O)C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccccc1 ZINC000886605044 627171569 /nfs/dbraw/zinc/17/15/69/627171569.db2.gz IMSYXFMRRGDFEJ-SWLSCSKDSA-N 1 1 316.376 3.059 20 10 DGCDMO C[C@@H]([NH2+][C@@H](CCO)c1ccccc1F)c1c(O)cccc1F ZINC000886630307 627176804 /nfs/dbraw/zinc/17/68/04/627176804.db2.gz ZNLQOIUMQPZPQV-ABAIWWIYSA-N 1 1 307.340 3.445 20 10 DGCDMO CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886634529 627177062 /nfs/dbraw/zinc/17/70/62/627177062.db2.gz GPJVTGSWHGCBTN-LBPRGKRZSA-N 1 1 316.376 3.018 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1F)c1ccc(F)cc1O ZINC000886674511 627187105 /nfs/dbraw/zinc/18/71/05/627187105.db2.gz MVCHDPFMDOFUMG-WMLDXEAASA-N 1 1 321.367 3.315 20 10 DGCDMO CC[C@H]([NH2+]Cc1nonc1C)c1ccc(C(F)(F)F)cc1O ZINC000811506775 627283314 /nfs/dbraw/zinc/28/33/14/627283314.db2.gz FGQQHCGXZFEMHW-NSHDSACASA-N 1 1 315.295 3.343 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000811781147 627321972 /nfs/dbraw/zinc/32/19/72/627321972.db2.gz YYTZGTAXFNGBIV-YOEHRIQHSA-N 1 1 305.418 3.099 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](n4cccn4)C3)c2c1 ZINC000812294420 627367876 /nfs/dbraw/zinc/36/78/76/627367876.db2.gz MNOHEMDDPLBSGN-OAHLLOKOSA-N 1 1 323.396 3.198 20 10 DGCDMO COCC[C@@H]1COCC[N@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000812297429 627368546 /nfs/dbraw/zinc/36/85/46/627368546.db2.gz HRCAKKKGUNWOOL-MRXNPFEDSA-N 1 1 307.434 3.061 20 10 DGCDMO CC(C)[N@H+](Cc1cccc(Br)c1O)[C@@H]1CCOC1 ZINC000812776762 627419004 /nfs/dbraw/zinc/41/90/04/627419004.db2.gz ONXXSQLHWUBWIG-GFCCVEGCSA-N 1 1 314.223 3.154 20 10 DGCDMO CC(C)[N@@H+](Cc1cccc(Br)c1O)[C@@H]1CCOC1 ZINC000812776762 627419006 /nfs/dbraw/zinc/41/90/06/627419006.db2.gz ONXXSQLHWUBWIG-GFCCVEGCSA-N 1 1 314.223 3.154 20 10 DGCDMO COc1ccc(CNc2[nH+]c3ccc(F)cc3n2C)c(O)c1 ZINC000814260130 627555468 /nfs/dbraw/zinc/55/54/68/627555468.db2.gz HNHLKSPZCCYAIV-UHFFFAOYSA-N 1 1 301.321 3.039 20 10 DGCDMO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)o1 ZINC000815030637 627617775 /nfs/dbraw/zinc/61/77/75/627617775.db2.gz PZUOADQXCCXRSP-MRXNPFEDSA-N 1 1 314.433 3.132 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)Cc1ccc(F)cc1 ZINC000815055381 627619909 /nfs/dbraw/zinc/61/99/09/627619909.db2.gz YTBFCAOFMLZIBF-GOSISDBHSA-N 1 1 317.404 3.347 20 10 DGCDMO Cc1ccc(C[N@H+](CCO)Cc2ccc(N(C)C)c(C)c2)cc1 ZINC000815090234 627625056 /nfs/dbraw/zinc/62/50/56/627625056.db2.gz IBMAPNJUJKKHMT-UHFFFAOYSA-N 1 1 312.457 3.364 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C)no2)cc1 ZINC000815117737 627629051 /nfs/dbraw/zinc/62/90/51/627629051.db2.gz UIXUJYVWIMNSDV-MRXNPFEDSA-N 1 1 300.406 3.171 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2nc(C)no2)cc1 ZINC000815117737 627629054 /nfs/dbraw/zinc/62/90/54/627629054.db2.gz UIXUJYVWIMNSDV-MRXNPFEDSA-N 1 1 300.406 3.171 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2CCC(=O)NC)cc1 ZINC000815117308 627629377 /nfs/dbraw/zinc/62/93/77/627629377.db2.gz NRPGKDHFZAKNAW-SFHVURJKSA-N 1 1 317.477 3.023 20 10 DGCDMO OC[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)C1CCCCC1 ZINC000815150749 627638247 /nfs/dbraw/zinc/63/82/47/627638247.db2.gz NCIABQYDYLJPNE-GFCCVEGCSA-N 1 1 315.816 3.463 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1cccc(C(F)(F)F)c1O ZINC000815563997 627685701 /nfs/dbraw/zinc/68/57/01/627685701.db2.gz UPOZNXXKNZXANP-QWRGUYRKSA-N 1 1 302.340 3.156 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc(C(F)(F)F)c1O ZINC000815598154 627690005 /nfs/dbraw/zinc/69/00/05/627690005.db2.gz NVIGGBIPJRHITN-GMTAPVOTSA-N 1 1 303.324 3.365 20 10 DGCDMO COCC[C@H](COC)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815628381 627692906 /nfs/dbraw/zinc/69/29/06/627692906.db2.gz YTFNWZYARAJNES-GHMZBOCLSA-N 1 1 321.339 3.113 20 10 DGCDMO CCOC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CCCC1 ZINC000815644826 627694295 /nfs/dbraw/zinc/69/42/95/627694295.db2.gz NBFQFPFNBGDIST-ZDUSSCGKSA-N 1 1 321.417 3.179 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000925080673 627706632 /nfs/dbraw/zinc/70/66/32/627706632.db2.gz NZKCECMXZOFSFN-AWEZNQCLSA-N 1 1 301.438 3.084 20 10 DGCDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816506394 627798348 /nfs/dbraw/zinc/79/83/48/627798348.db2.gz ATXFZGNXKLJGCB-KRWDZBQOSA-N 1 1 324.424 3.132 20 10 DGCDMO CC(C)CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816520148 627801192 /nfs/dbraw/zinc/80/11/92/627801192.db2.gz HNFNSTGRROKXOR-LBPRGKRZSA-N 1 1 301.789 3.432 20 10 DGCDMO CC(C)CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816520148 627801197 /nfs/dbraw/zinc/80/11/97/627801197.db2.gz HNFNSTGRROKXOR-LBPRGKRZSA-N 1 1 301.789 3.432 20 10 DGCDMO C[C@H]1CCCCN1CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816535346 627802952 /nfs/dbraw/zinc/80/29/52/627802952.db2.gz MLODQSGOXZPNKL-NSHDSACASA-N 1 1 300.805 3.149 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCN1Cc2ccccc2C1 ZINC000816533468 627803170 /nfs/dbraw/zinc/80/31/70/627803170.db2.gz XNVRAVZXSPNSQN-UHFFFAOYSA-N 1 1 320.795 3.290 20 10 DGCDMO C[C@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCCC[C@H]1O ZINC000816555869 627806870 /nfs/dbraw/zinc/80/68/70/627806870.db2.gz SCPRMSNQFSFDJC-HUUCEWRRSA-N 1 1 301.789 3.216 20 10 DGCDMO Cc1cccc([C@@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816556608 627807383 /nfs/dbraw/zinc/80/73/83/627807383.db2.gz OMRNXLOWWZUPHS-INIZCTEOSA-N 1 1 309.768 3.316 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H]1CCCC[C@H]1O ZINC000816564438 627808620 /nfs/dbraw/zinc/80/86/20/627808620.db2.gz GFKFHRYIXDOZEO-IINYFYTJSA-N 1 1 301.789 3.168 20 10 DGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H]1CCCC[C@H]1O ZINC000816564438 627808624 /nfs/dbraw/zinc/80/86/24/627808624.db2.gz GFKFHRYIXDOZEO-IINYFYTJSA-N 1 1 301.789 3.168 20 10 DGCDMO C[C@@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCO[C@H]1C1CC1 ZINC000816570773 627809941 /nfs/dbraw/zinc/80/99/41/627809941.db2.gz HDYWWVKFYIQLJU-HOTGVXAUSA-N 1 1 313.800 3.480 20 10 DGCDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816594942 627812202 /nfs/dbraw/zinc/81/22/02/627812202.db2.gz UDHVTCIPOQMTHF-CMPLNLGQSA-N 1 1 301.789 3.310 20 10 DGCDMO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816594942 627812203 /nfs/dbraw/zinc/81/22/03/627812203.db2.gz UDHVTCIPOQMTHF-CMPLNLGQSA-N 1 1 301.789 3.310 20 10 DGCDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816594942 627812205 /nfs/dbraw/zinc/81/22/05/627812205.db2.gz UDHVTCIPOQMTHF-CMPLNLGQSA-N 1 1 301.789 3.310 20 10 DGCDMO Cn1nc2c(c1C[NH2+]Cc1cc(Cl)c(F)cc1O)CCCC2 ZINC000816616412 627815494 /nfs/dbraw/zinc/81/54/94/627815494.db2.gz VZJLEUNICQUEQL-UHFFFAOYSA-N 1 1 323.799 3.087 20 10 DGCDMO CCCCN(C)C[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816614095 627815674 /nfs/dbraw/zinc/81/56/74/627815674.db2.gz MWSMQZUHBNSBKC-NSHDSACASA-N 1 1 302.821 3.395 20 10 DGCDMO CC(C)[C@H]1[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000816624616 627816533 /nfs/dbraw/zinc/81/65/33/627816533.db2.gz AXIZAYILAOOKJO-GOSISDBHSA-N 1 1 302.462 3.390 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](O)CC23CCC3)c1O ZINC000817289799 627878947 /nfs/dbraw/zinc/87/89/47/627878947.db2.gz DIHAGEOMMOEOJM-CQSZACIVSA-N 1 1 323.820 3.128 20 10 DGCDMO CC[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@H](CC)O1 ZINC000817366197 627890077 /nfs/dbraw/zinc/89/00/77/627890077.db2.gz PZYUDUOTMGBCHZ-GASCZTMLSA-N 1 1 300.402 3.330 20 10 DGCDMO c1csc(SCc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000817582306 627925226 /nfs/dbraw/zinc/92/52/26/627925226.db2.gz XNCAEKFFXGZFLF-UHFFFAOYSA-N 1 1 306.456 3.268 20 10 DGCDMO Cc1nc(C)c([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817938655 627967325 /nfs/dbraw/zinc/96/73/25/627967325.db2.gz OYUOHGYPLIACFH-BDJLRTHQSA-N 1 1 318.490 3.177 20 10 DGCDMO Cc1ccc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817939118 627967665 /nfs/dbraw/zinc/96/76/65/627967665.db2.gz ZEZGXRIWUUKZNH-CZUORRHYSA-N 1 1 303.475 3.473 20 10 DGCDMO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000817938791 627967900 /nfs/dbraw/zinc/96/79/00/627967900.db2.gz SLMGXSZXBPVSCA-ACJLOTCBSA-N 1 1 301.409 3.242 20 10 DGCDMO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)cn1 ZINC000817942624 627969981 /nfs/dbraw/zinc/96/99/81/627969981.db2.gz QBMQQAVLEGNQBM-LRDDRELGSA-N 1 1 318.852 3.152 20 10 DGCDMO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817945613 627970407 /nfs/dbraw/zinc/97/04/07/627970407.db2.gz HVFSSQNUBLUIQB-CVEARBPZSA-N 1 1 319.468 3.466 20 10 DGCDMO C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Br)ccc1[O-] ZINC000817947148 627970811 /nfs/dbraw/zinc/97/08/11/627970811.db2.gz LJEKGONJSRFTDL-GCVQQVDUSA-N 1 1 313.239 3.075 20 10 DGCDMO CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000817954275 627973310 /nfs/dbraw/zinc/97/33/10/627973310.db2.gz WYXAGUGGOUGTHZ-LLVKDONJSA-N 1 1 315.255 3.193 20 10 DGCDMO CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817961229 627976309 /nfs/dbraw/zinc/97/63/09/627976309.db2.gz VOKZYOFCBJWJSA-VXGBXAGGSA-N 1 1 303.233 3.477 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(F)cc1O ZINC000817975042 627981171 /nfs/dbraw/zinc/98/11/71/627981171.db2.gz QELIMCMMCJZYIW-ROUUACIJSA-N 1 1 314.404 3.459 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817976853 627981826 /nfs/dbraw/zinc/98/18/26/627981826.db2.gz VNDSFDMWXKXKAH-BPUTZDHNSA-N 1 1 323.431 3.167 20 10 DGCDMO C[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccc(F)cc1O ZINC000926931709 627983933 /nfs/dbraw/zinc/98/39/33/627983933.db2.gz QZTOZDRXEUFCJR-SNVBAGLBSA-N 1 1 306.406 3.370 20 10 DGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1[O-] ZINC000817985692 627984453 /nfs/dbraw/zinc/98/44/53/627984453.db2.gz GYHNMPYSLSBXPV-RMRHIDDWSA-N 1 1 308.853 3.393 20 10 DGCDMO CCN(C)c1ccc([C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000817987408 627984483 /nfs/dbraw/zinc/98/44/83/627984483.db2.gz YTVRVDFYVKRYJK-DOTOQJQBSA-N 1 1 301.478 3.468 20 10 DGCDMO CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)c3ccc(F)cc3O)C2)n1 ZINC000927054131 628002915 /nfs/dbraw/zinc/00/29/15/628002915.db2.gz USHVZNAZUFWTHT-WZRBSPASSA-N 1 1 319.380 3.464 20 10 DGCDMO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](C)c3ccc(F)cc3O)C2)n1 ZINC000927054128 628003035 /nfs/dbraw/zinc/00/30/35/628003035.db2.gz USHVZNAZUFWTHT-DMDPSCGWSA-N 1 1 319.380 3.464 20 10 DGCDMO C[C@@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1c(O)cccc1F ZINC000927139269 628024531 /nfs/dbraw/zinc/02/45/31/628024531.db2.gz KGAYTMKXIXHUBP-ONUMYQOESA-N 1 1 301.361 3.230 20 10 DGCDMO COc1ccc(N2CC[C@@H](CNc3cc(C)[nH+]c(C)n3)C2)cc1 ZINC000819934947 628201373 /nfs/dbraw/zinc/20/13/73/628201373.db2.gz IYLRYUOPFMKEDP-HNNXBMFYSA-N 1 1 312.417 3.040 20 10 DGCDMO Oc1c(F)cccc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000822525356 628461408 /nfs/dbraw/zinc/46/14/08/628461408.db2.gz FGLPKDFABOJFCR-HZPDHXFCSA-N 1 1 321.779 3.493 20 10 DGCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000822525356 628461410 /nfs/dbraw/zinc/46/14/10/628461410.db2.gz FGLPKDFABOJFCR-HZPDHXFCSA-N 1 1 321.779 3.493 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822530183 628461711 /nfs/dbraw/zinc/46/17/11/628461711.db2.gz SSZNFAREGFQJOB-SFHVURJKSA-N 1 1 317.429 3.182 20 10 DGCDMO CCOC(=O)C[N@H+](CCc1cccs1)Cc1ccccc1O ZINC000823581511 628576569 /nfs/dbraw/zinc/57/65/69/628576569.db2.gz LGUWKBBCWPQDDK-UHFFFAOYSA-N 1 1 319.426 3.062 20 10 DGCDMO CCOC(=O)C[N@@H+](CCc1cccs1)Cc1ccccc1O ZINC000823581511 628576572 /nfs/dbraw/zinc/57/65/72/628576572.db2.gz LGUWKBBCWPQDDK-UHFFFAOYSA-N 1 1 319.426 3.062 20 10 DGCDMO COc1cc(C[N@@H+](CCO)C2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000824484253 628664974 /nfs/dbraw/zinc/66/49/74/628664974.db2.gz AAXYPBWKAJIHIO-UHFFFAOYSA-N 1 1 321.461 3.435 20 10 DGCDMO CC[N@H+](Cc1ccc(Br)cc1O)C[C@@H]1CCOC1 ZINC000824575656 628672302 /nfs/dbraw/zinc/67/23/02/628672302.db2.gz LRWRAFDIDVHMQD-NSHDSACASA-N 1 1 314.223 3.013 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)cc1Cl ZINC000824602043 628675731 /nfs/dbraw/zinc/67/57/31/628675731.db2.gz QCIVFMHBYQLHKU-UHFFFAOYSA-N 1 1 324.852 3.044 20 10 DGCDMO COc1cc(C[N@H+](C)Cc2cnccn2)c(O)c(C(C)(C)C)c1 ZINC000824632623 628678690 /nfs/dbraw/zinc/67/86/90/628678690.db2.gz NRHDYTYWSSPZOU-UHFFFAOYSA-N 1 1 315.417 3.120 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2cnccn2)c(O)c(C(C)(C)C)c1 ZINC000824632623 628678694 /nfs/dbraw/zinc/67/86/94/628678694.db2.gz NRHDYTYWSSPZOU-UHFFFAOYSA-N 1 1 315.417 3.120 20 10 DGCDMO Cn1cccc1C[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824851048 628699818 /nfs/dbraw/zinc/69/98/18/628699818.db2.gz RTQNFRBIYIGFKE-UHFFFAOYSA-N 1 1 309.207 3.125 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1Cl ZINC000824913668 628705531 /nfs/dbraw/zinc/70/55/31/628705531.db2.gz WJNMTBBIVIGFEZ-CYBMUJFWSA-N 1 1 319.836 3.152 20 10 DGCDMO 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KWWUUGSBQGVONA-UHFFFAOYSA-N 1 1 302.462 3.452 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](N2CCCC2)C[C@H]1C ZINC000840948684 630382741 /nfs/dbraw/zinc/38/27/41/630382741.db2.gz XWFMUCCXFUUPIK-VQIMIIECSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](N2CCCC2)C[C@H]1C ZINC000840948684 630382742 /nfs/dbraw/zinc/38/27/42/630382742.db2.gz XWFMUCCXFUUPIK-VQIMIIECSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c(Cl)c1 ZINC000840949356 630383524 /nfs/dbraw/zinc/38/35/24/630383524.db2.gz STXHBRCPMWUZLO-KRWDZBQOSA-N 1 1 308.853 3.272 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000840950415 630383578 /nfs/dbraw/zinc/38/35/78/630383578.db2.gz IBGSEJSNTPSKLN-IPMKNSEASA-N 1 1 302.462 3.186 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000840954823 630384490 /nfs/dbraw/zinc/38/44/90/630384490.db2.gz OQQTYWXDTGRUEQ-OCCSQVGLSA-N 1 1 320.389 3.225 20 10 DGCDMO Cn1ncc2c1CCC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC000840954098 630384517 /nfs/dbraw/zinc/38/45/17/630384517.db2.gz DEVOFCPQPCMNAR-UHFFFAOYSA-N 1 1 307.397 3.227 20 10 DGCDMO CC[N@@H+](Cc1occc1C)Cc1ccc(N2CCOCC2)cc1 ZINC000840969308 630388195 /nfs/dbraw/zinc/38/81/95/630388195.db2.gz BPSQVHJDMQCOLG-UHFFFAOYSA-N 1 1 314.429 3.447 20 10 DGCDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000840970198 630388651 /nfs/dbraw/zinc/38/86/51/630388651.db2.gz RDBBYBONZIRLIM-CQSZACIVSA-N 1 1 306.425 3.283 20 10 DGCDMO CCc1cccc(F)c1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841042044 630400354 /nfs/dbraw/zinc/40/03/54/630400354.db2.gz JNOMCABHWXCSBL-LJQANCHMSA-N 1 1 315.436 3.244 20 10 DGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(F)c(Cl)c2)cc1 ZINC000841045586 630401938 /nfs/dbraw/zinc/40/19/38/630401938.db2.gz NJCWJURJJQBZGG-KRWDZBQOSA-N 1 1 321.827 3.335 20 10 DGCDMO CN(C)c1ccc(/C=C/CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000841087457 630405953 /nfs/dbraw/zinc/40/59/53/630405953.db2.gz NWNXDBPYONRKDA-RJOJHWARSA-N 1 1 313.489 3.230 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841087479 630406052 /nfs/dbraw/zinc/40/60/52/630406052.db2.gz OGGTZBSZPCRDKU-IAQYHMDHSA-N 1 1 312.816 3.149 20 10 DGCDMO CN(C)c1ccc(C[NH2+][C@H](CN)C(C)(C)C)c(C(F)(F)F)c1 ZINC000841087159 630406138 /nfs/dbraw/zinc/40/61/38/630406138.db2.gz JQJUSKYJSLRCET-CQSZACIVSA-N 1 1 317.399 3.234 20 10 DGCDMO c1cc(N2CCCCC2)ccc1CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000841088736 630406631 /nfs/dbraw/zinc/40/66/31/630406631.db2.gz AUHKVHQUVGBFBJ-GOSISDBHSA-N 1 1 313.489 3.441 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](c3ccccc3F)[C@H](N)C2)cc1C ZINC000841103020 630408719 /nfs/dbraw/zinc/40/87/19/630408719.db2.gz DAILMGHTEQEUMW-FUHWJXTLSA-N 1 1 314.404 3.075 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](N)C2)cc1C ZINC000841103020 630408722 /nfs/dbraw/zinc/40/87/22/630408722.db2.gz DAILMGHTEQEUMW-FUHWJXTLSA-N 1 1 314.404 3.075 20 10 DGCDMO Nc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000841297218 630424539 /nfs/dbraw/zinc/42/45/39/630424539.db2.gz NMLJABDFXANWSI-QGZVFWFLSA-N 1 1 316.449 3.187 20 10 DGCDMO C[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(Cl)cc1O ZINC000841745349 630461083 /nfs/dbraw/zinc/46/10/83/630461083.db2.gz YFOBSPMWRZPJGV-GXTWGEPZSA-N 1 1 313.825 3.282 20 10 DGCDMO C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(Cl)cc1O ZINC000841745351 630461885 /nfs/dbraw/zinc/46/18/85/630461885.db2.gz YFOBSPMWRZPJGV-OCCSQVGLSA-N 1 1 313.825 3.282 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)CCOc2ccccc2F)c1O ZINC000121519274 630462299 /nfs/dbraw/zinc/46/22/99/630462299.db2.gz MXMZPTYQYUNTDE-UHFFFAOYSA-N 1 1 319.376 3.441 20 10 DGCDMO Cc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n(C)n1 ZINC000841830113 630470167 /nfs/dbraw/zinc/47/01/67/630470167.db2.gz FGKZVYCBUAGNSE-UHFFFAOYSA-N 1 1 300.450 3.205 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H]1CC1(C)C ZINC000841890750 630473435 /nfs/dbraw/zinc/47/34/35/630473435.db2.gz KAZUZURKVHMNSG-VXGBXAGGSA-N 1 1 308.378 3.223 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)CCC2 ZINC000842612833 630553545 /nfs/dbraw/zinc/55/35/45/630553545.db2.gz OVULVKMNZXYWKX-SJLPKXTDSA-N 1 1 301.430 3.272 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c(O)cc1C ZINC000842613588 630553748 /nfs/dbraw/zinc/55/37/48/630553748.db2.gz CXLUGZLLEHOIGS-GOEBONIOSA-N 1 1 305.418 3.100 20 10 DGCDMO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cccc(Br)c1O ZINC000842755367 630571749 /nfs/dbraw/zinc/57/17/49/630571749.db2.gz XYCGRGUXAPGZRF-JQWIXIFHSA-N 1 1 316.239 3.041 20 10 DGCDMO C[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CC2(CCC2)O1 ZINC000843431704 630658067 /nfs/dbraw/zinc/65/80/67/630658067.db2.gz BUBJQFCCUMSJIB-MQDFFIGUSA-N 1 1 300.446 3.409 20 10 DGCDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000844724978 630807843 /nfs/dbraw/zinc/80/78/43/630807843.db2.gz GFUOBCNYTUXLTL-CABCVRRESA-N 1 1 300.402 3.330 20 10 DGCDMO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cccc(Br)c1O ZINC000846017134 631206230 /nfs/dbraw/zinc/20/62/30/631206230.db2.gz LJVPFQDTPUQZSJ-GWCFXTLKSA-N 1 1 316.239 3.041 20 10 DGCDMO CCc1cnc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)s1 ZINC000846052355 631208358 /nfs/dbraw/zinc/20/83/58/631208358.db2.gz PNNBEPMYNJPCSZ-UHFFFAOYSA-N 1 1 319.474 3.282 20 10 DGCDMO CCc1cnc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)s1 ZINC000846052355 631208360 /nfs/dbraw/zinc/20/83/60/631208360.db2.gz PNNBEPMYNJPCSZ-UHFFFAOYSA-N 1 1 319.474 3.282 20 10 DGCDMO CCc1ncc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)s1 ZINC000846052410 631208432 /nfs/dbraw/zinc/20/84/32/631208432.db2.gz QFDBLBISMZRXMI-UHFFFAOYSA-N 1 1 319.474 3.282 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(C(F)(F)F)c1 ZINC000846114385 631210318 /nfs/dbraw/zinc/21/03/18/631210318.db2.gz UZTMSUFSRSACAO-BETUJISGSA-N 1 1 320.305 3.468 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(C(F)(F)F)c1 ZINC000846114385 631210319 /nfs/dbraw/zinc/21/03/19/631210319.db2.gz UZTMSUFSRSACAO-BETUJISGSA-N 1 1 320.305 3.468 20 10 DGCDMO COc1cccc([C@@H](C)NC[C@@H](C(C)C)[NH+]2CCCC2)c1O ZINC000846138628 631211446 /nfs/dbraw/zinc/21/14/46/631211446.db2.gz LSQXLWMMBXQIPX-ZBFHGGJFSA-N 1 1 306.450 3.172 20 10 DGCDMO COc1cccc([C@@H](C)NCC[N@H+](C)C2CCCCC2)c1O ZINC000846142122 631211578 /nfs/dbraw/zinc/21/15/78/631211578.db2.gz BZNWETJOQCDBIF-CQSZACIVSA-N 1 1 306.450 3.316 20 10 DGCDMO COc1cccc([C@@H](C)NCC[N@@H+](C)C2CCCCC2)c1O ZINC000846142122 631211579 /nfs/dbraw/zinc/21/15/79/631211579.db2.gz BZNWETJOQCDBIF-CQSZACIVSA-N 1 1 306.450 3.316 20 10 DGCDMO COc1cccc([C@H](C)[NH2+]CCc2ccc3cn[nH]c3c2)c1O ZINC000846167397 631213189 /nfs/dbraw/zinc/21/31/89/631213189.db2.gz JHYVZIBLZRDYIX-LBPRGKRZSA-N 1 1 311.385 3.170 20 10 DGCDMO CCc1cccc(C[N@@H+](C)CC(=O)N(C)C2CCCCC2)c1O ZINC000848881544 631769584 /nfs/dbraw/zinc/76/95/84/631769584.db2.gz QCFQMVHDHSUSOV-UHFFFAOYSA-N 1 1 318.461 3.178 20 10 DGCDMO CCc1cccc(C[N@@H+](C)Cc2ccc(C(=O)OC)cc2)c1O ZINC000848882682 631769770 /nfs/dbraw/zinc/76/97/70/631769770.db2.gz YBBJBSIXAPZPAE-UHFFFAOYSA-N 1 1 313.397 3.373 20 10 DGCDMO CCc1cccc(CN2CCC[N@H+](C3CCCC3)CC2)c1O ZINC000848886673 631772174 /nfs/dbraw/zinc/77/21/74/631772174.db2.gz YZZDLENDTCYXAR-UHFFFAOYSA-N 1 1 302.462 3.405 20 10 DGCDMO CCc1cccc(C[N@@H+]2CCCN(C3CCCC3)CC2)c1O ZINC000848886673 631772178 /nfs/dbraw/zinc/77/21/78/631772178.db2.gz YZZDLENDTCYXAR-UHFFFAOYSA-N 1 1 302.462 3.405 20 10 DGCDMO CCc1cccc(C[N@H+]2CCCN(C3CCCC3)CC2)c1O ZINC000848886673 631772181 /nfs/dbraw/zinc/77/21/81/631772181.db2.gz YZZDLENDTCYXAR-UHFFFAOYSA-N 1 1 302.462 3.405 20 10 DGCDMO CCc1cccc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c1O ZINC000848891266 631774013 /nfs/dbraw/zinc/77/40/13/631774013.db2.gz YBHWSLZXTXGNED-QFIPXVFZSA-N 1 1 317.454 3.324 20 10 DGCDMO CCc1cccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)c1O ZINC000848902077 631779260 /nfs/dbraw/zinc/77/92/60/631779260.db2.gz JPNQAMZADXQKSB-CQSZACIVSA-N 1 1 305.324 3.456 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1O ZINC000848900913 631780116 /nfs/dbraw/zinc/78/01/16/631780116.db2.gz QUDAEGAXVHTCJF-IBGZPJMESA-N 1 1 315.388 3.187 20 10 DGCDMO CC[C@@](C)([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000850383270 632134009 /nfs/dbraw/zinc/13/40/09/632134009.db2.gz DEDYLWKKKUBGGO-LJQANCHMSA-N 1 1 301.478 3.107 20 10 DGCDMO C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccc(F)cc1O ZINC000850486009 632167975 /nfs/dbraw/zinc/16/79/75/632167975.db2.gz QIFYIUQCUGINCJ-MRVPVSSYSA-N 1 1 315.270 3.191 20 10 DGCDMO CC[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1ccc(F)cc1O ZINC000850532964 632183362 /nfs/dbraw/zinc/18/33/62/632183362.db2.gz QEOJNQNNPLEEIZ-YUELXQCFSA-N 1 1 315.335 3.386 20 10 DGCDMO C[C@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1cc(F)cc(F)c1O ZINC000850538096 632186098 /nfs/dbraw/zinc/18/60/98/632186098.db2.gz VQNYVEBQBHKXGI-ZANVPECISA-N 1 1 323.314 3.464 20 10 DGCDMO C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc(F)cc1O ZINC000850548853 632188951 /nfs/dbraw/zinc/18/89/51/632188951.db2.gz APCOVSJBEYXRPW-NSHDSACASA-N 1 1 303.381 3.383 20 10 DGCDMO CNC(=O)CC1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CCCCC1 ZINC000850556601 632192161 /nfs/dbraw/zinc/19/21/61/632192161.db2.gz ROMICEKUPDMGOQ-ZDUSSCGKSA-N 1 1 322.424 3.269 20 10 DGCDMO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccccc1 ZINC000850583621 632202335 /nfs/dbraw/zinc/20/23/35/632202335.db2.gz MSGLHRLTGUIBDV-LYOVBCGYSA-N 1 1 307.340 3.443 20 10 DGCDMO CC[N@@H+](CCOC(F)F)Cc1cc(Br)ccc1O ZINC000851793110 632495829 /nfs/dbraw/zinc/49/58/29/632495829.db2.gz TVWIBHQLJBSJDM-UHFFFAOYSA-N 1 1 324.165 3.216 20 10 DGCDMO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1O ZINC000851792477 632496452 /nfs/dbraw/zinc/49/64/52/632496452.db2.gz OYOMIBOZAMUDOW-UHFFFAOYSA-N 1 1 305.334 3.009 20 10 DGCDMO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1O ZINC000851792477 632496454 /nfs/dbraw/zinc/49/64/54/632496454.db2.gz OYOMIBOZAMUDOW-UHFFFAOYSA-N 1 1 305.334 3.009 20 10 DGCDMO C[C@]1(c2ccccc2)C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000180141078 659953664 /nfs/dbraw/zinc/95/36/64/659953664.db2.gz KZSXVLFVVMBIIR-GOSISDBHSA-N 1 1 301.361 3.279 20 10 DGCDMO CC[C@H]([NH2+]Cc1ncccn1)c1cc(Br)ccc1O ZINC000702331303 660721806 /nfs/dbraw/zinc/72/18/06/660721806.db2.gz SYLHOXOPTBWGLW-LBPRGKRZSA-N 1 1 322.206 3.186 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)[C@H](C)C1 ZINC000707145875 660888165 /nfs/dbraw/zinc/88/81/65/660888165.db2.gz JXXXQSSRYVBIEZ-GHMZBOCLSA-N 1 1 314.223 3.154 20 10 DGCDMO COC[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792824628 660987112 /nfs/dbraw/zinc/98/71/12/660987112.db2.gz OEPAQNBSMWMCJF-LBPRGKRZSA-N 1 1 316.367 3.240 20 10 DGCDMO CCn1ncnc1C[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000793344757 661025813 /nfs/dbraw/zinc/02/58/13/661025813.db2.gz WBTYBNRABLVKSE-UHFFFAOYSA-N 1 1 323.444 3.304 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)cc1 ZINC000793388691 661029182 /nfs/dbraw/zinc/02/91/82/661029182.db2.gz FFTTUTFCRKVXLX-LJQANCHMSA-N 1 1 317.477 3.010 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCOC[C@@H](C3CCC3)C1)CCC2 ZINC000793747235 661055488 /nfs/dbraw/zinc/05/54/88/661055488.db2.gz VYSWYXFQJHNLGN-SFHVURJKSA-N 1 1 301.430 3.129 20 10 DGCDMO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000160315354 655606055 /nfs/dbraw/zinc/60/60/55/655606055.db2.gz KNCFPCYIZHAARW-INIZCTEOSA-N 1 1 316.489 3.435 20 10 DGCDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000160315354 655606057 /nfs/dbraw/zinc/60/60/57/655606057.db2.gz KNCFPCYIZHAARW-INIZCTEOSA-N 1 1 316.489 3.435 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)c(O)cc1C ZINC000160373683 655626170 /nfs/dbraw/zinc/62/61/70/655626170.db2.gz TWGXPFBGQGJLLQ-MRXNPFEDSA-N 1 1 307.434 3.346 20 10 DGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCOC[C@H]1CC(F)F ZINC000795729791 661170388 /nfs/dbraw/zinc/17/03/88/661170388.db2.gz KNRASJPAKLJSSA-CYBMUJFWSA-N 1 1 307.340 3.401 20 10 DGCDMO CNC(=O)C[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccccc1 ZINC000795848854 661175990 /nfs/dbraw/zinc/17/59/90/661175990.db2.gz AQFXRANGZNOEEZ-WBMJQRKESA-N 1 1 316.376 3.059 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)C[C@@H]3CCOC3)c2c1 ZINC000176101727 655739901 /nfs/dbraw/zinc/73/99/01/655739901.db2.gz ZODTXXWNRKVKJX-ZDUSSCGKSA-N 1 1 301.386 3.022 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC000934334418 655768732 /nfs/dbraw/zinc/76/87/32/655768732.db2.gz UWAOEACHLAVYEV-OAHLLOKOSA-N 1 1 301.459 3.274 20 10 DGCDMO CCN1CCN(c2ccc(C[NH2+]CC(C)(C)C)cc2F)CC1 ZINC000236896102 656964250 /nfs/dbraw/zinc/96/42/50/656964250.db2.gz WJZCVJLDRULISZ-UHFFFAOYSA-N 1 1 307.457 3.103 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@@H](O)Cc1ccccc1 ZINC000248488791 657029227 /nfs/dbraw/zinc/02/92/27/657029227.db2.gz HAHLJPCXWLSRIU-AHIWAGSCSA-N 1 1 303.377 3.174 20 10 DGCDMO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(C)cc(C)c2O)cc1 ZINC000178853366 657088158 /nfs/dbraw/zinc/08/81/58/657088158.db2.gz IJDWWTQREPWSMM-UHFFFAOYSA-N 1 1 313.397 3.428 20 10 DGCDMO COc1cccc(CNC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1O ZINC000237210366 657381744 /nfs/dbraw/zinc/38/17/44/657381744.db2.gz SAKNMWJWPDWXBE-KBXCAEBGSA-N 1 1 306.450 3.001 20 10 DGCDMO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cccc(Br)c1O ZINC000304033564 657589715 /nfs/dbraw/zinc/58/97/15/657589715.db2.gz GYJYEMAGRXSAEJ-IINYFYTJSA-N 1 1 316.239 3.041 20 10 DGCDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000305251152 657698002 /nfs/dbraw/zinc/69/80/02/657698002.db2.gz KEMMOOLRUYONFP-IUODEOHRSA-N 1 1 307.434 3.131 20 10 DGCDMO CCC(CC)(C[NH2+]Cc1cccc(Br)c1O)OC ZINC000311044091 658697285 /nfs/dbraw/zinc/69/72/85/658697285.db2.gz PLHCQTYVPIYAKA-UHFFFAOYSA-N 1 1 316.239 3.450 20 10 DGCDMO CCc1cnc(C[N@H+](C)Cc2cc(C)cc(OC)c2O)s1 ZINC000164447318 658935046 /nfs/dbraw/zinc/93/50/46/658935046.db2.gz DDEKGZSYVBVDFO-UHFFFAOYSA-N 1 1 306.431 3.360 20 10 DGCDMO CCc1cnc(C[N@@H+](C)Cc2cc(C)cc(OC)c2O)s1 ZINC000164447318 658935050 /nfs/dbraw/zinc/93/50/50/658935050.db2.gz DDEKGZSYVBVDFO-UHFFFAOYSA-N 1 1 306.431 3.360 20 10 DGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C)cc(OC)c2O)C12CCC2 ZINC000164512559 658936854 /nfs/dbraw/zinc/93/68/54/658936854.db2.gz CQSSEINRYDDPJN-SJORKVTESA-N 1 1 319.445 3.489 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(F)cc1O ZINC000170789487 659237418 /nfs/dbraw/zinc/23/74/18/659237418.db2.gz ROZCOMNOGGVIFA-WDEREUQCSA-N 1 1 317.364 3.434 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1ccc(F)cc1O ZINC000170788842 659238333 /nfs/dbraw/zinc/23/83/33/659238333.db2.gz SINXJPJXXJMTQT-GUYCJALGSA-N 1 1 302.393 3.485 20 10 DGCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)CC1(c2ccccc2)CC1 ZINC000188826444 659492033 /nfs/dbraw/zinc/49/20/33/659492033.db2.gz IZJYQIKRWFCSSV-UHFFFAOYSA-N 1 1 311.381 3.285 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000179574448 659933267 /nfs/dbraw/zinc/93/32/67/659933267.db2.gz KILPYDIEGXBXFU-KRWDZBQOSA-N 1 1 310.397 3.020 20 10 DGCDMO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000179556027 659933290 /nfs/dbraw/zinc/93/32/90/659933290.db2.gz AZRGOTDYLCYPEO-KRWDZBQOSA-N 1 1 311.381 3.100 20 10 DGCDMO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179556027 659933291 /nfs/dbraw/zinc/93/32/91/659933291.db2.gz AZRGOTDYLCYPEO-KRWDZBQOSA-N 1 1 311.381 3.100 20 10 DGCDMO C[C@H]1CCC[C@@](CNCc2ccc3c(c2)CCO3)([NH+](C)C)C1 ZINC000237691404 659936658 /nfs/dbraw/zinc/93/66/58/659936658.db2.gz MZGNJJGDOXKLQM-HNAYVOBHSA-N 1 1 302.462 3.222 20 10 DGCDMO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)[C@H](c2ccccc2)CO1 ZINC000180198941 659955353 /nfs/dbraw/zinc/95/53/53/659955353.db2.gz XSUDRRDKMNUFOU-GUYCJALGSA-N 1 1 301.361 3.493 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)[C@H](c2ccccc2)CO1 ZINC000180198941 659955355 /nfs/dbraw/zinc/95/53/55/659955355.db2.gz XSUDRRDKMNUFOU-GUYCJALGSA-N 1 1 301.361 3.493 20 10 DGCDMO [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000070169474 660039949 /nfs/dbraw/zinc/03/99/49/660039949.db2.gz JJCVAQVYUPNASK-SNVBAGLBSA-N 1 1 303.233 3.260 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(CC)CC ZINC000076074117 660086950 /nfs/dbraw/zinc/08/69/50/660086950.db2.gz CVJDXSTVTCSARS-AWEZNQCLSA-N 1 1 306.450 3.298 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@H](C)c2nccn2C)cc1F ZINC000182918789 660090907 /nfs/dbraw/zinc/09/09/07/660090907.db2.gz KGVZPBBRMUZPGS-CYBMUJFWSA-N 1 1 304.413 3.256 20 10 DGCDMO COC(=O)/C=C(/C)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000929969833 661354726 /nfs/dbraw/zinc/35/47/26/661354726.db2.gz PEZBASKBRLBQJA-UVTDQMKNSA-N 1 1 315.369 3.107 20 10 DGCDMO COC(=O)/C=C(/C)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000929969833 661354728 /nfs/dbraw/zinc/35/47/28/661354728.db2.gz PEZBASKBRLBQJA-UVTDQMKNSA-N 1 1 315.369 3.107 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCSC[C@@H](C)C2)c1O ZINC000190426722 662032280 /nfs/dbraw/zinc/03/22/80/662032280.db2.gz YQGGURCPEMMYRD-JTQLQIEISA-N 1 1 313.850 3.433 20 10 DGCDMO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000191593588 662073638 /nfs/dbraw/zinc/07/36/38/662073638.db2.gz DRFZDYJUZUYPES-XJKSGUPXSA-N 1 1 303.377 3.094 20 10 DGCDMO COCCO[C@@H]1CCC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000193415465 662133570 /nfs/dbraw/zinc/13/35/70/662133570.db2.gz GEYGUCONURCPMN-QGZVFWFLSA-N 1 1 321.461 3.451 20 10 DGCDMO COCCO[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000193417216 662133641 /nfs/dbraw/zinc/13/36/41/662133641.db2.gz XOKBOKYKCROIOH-INIZCTEOSA-N 1 1 315.413 3.173 20 10 DGCDMO Cc1cc(C[N@@H+]2CCO[C@@H](C(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000193450383 662134538 /nfs/dbraw/zinc/13/45/38/662134538.db2.gz XOXIORDIWXLAES-CQSZACIVSA-N 1 1 313.388 3.464 20 10 DGCDMO Cc1cc(C[N@H+]2CCO[C@@H](C(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000193450383 662134539 /nfs/dbraw/zinc/13/45/39/662134539.db2.gz XOXIORDIWXLAES-CQSZACIVSA-N 1 1 313.388 3.464 20 10 DGCDMO COc1cc2c(c(C[N@@H+](C)Cc3ccccc3O)c1)O[C@@H](C)C2 ZINC000091956490 662325214 /nfs/dbraw/zinc/32/52/14/662325214.db2.gz BYWVNSAPUAFCMB-ZDUSSCGKSA-N 1 1 313.397 3.356 20 10 DGCDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000092093940 662327393 /nfs/dbraw/zinc/32/73/93/662327393.db2.gz MZNCVYJXOVAPLB-HNNXBMFYSA-N 1 1 305.418 3.256 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000093102611 662344113 /nfs/dbraw/zinc/34/41/13/662344113.db2.gz SNFJEUDHFHWAEW-HNNXBMFYSA-N 1 1 321.417 3.097 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000093102611 662344115 /nfs/dbraw/zinc/34/41/15/662344115.db2.gz SNFJEUDHFHWAEW-HNNXBMFYSA-N 1 1 321.417 3.097 20 10 DGCDMO CC[C@@H]1C[N@H+](Cc2cccc(Br)c2O)CCS1 ZINC000093502251 662355870 /nfs/dbraw/zinc/35/58/70/662355870.db2.gz YRWPDMZLNQJYFD-LLVKDONJSA-N 1 1 316.264 3.482 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)CCS1 ZINC000093502251 662355872 /nfs/dbraw/zinc/35/58/72/662355872.db2.gz YRWPDMZLNQJYFD-LLVKDONJSA-N 1 1 316.264 3.482 20 10 DGCDMO CCC[C@H](C[NH2+]Cc1cccc(Br)c1O)OC ZINC000378689562 685144495 /nfs/dbraw/zinc/14/44/95/685144495.db2.gz HLNVKGUGQQOCHB-LLVKDONJSA-N 1 1 302.212 3.059 20 10 DGCDMO Cc1cccc(C[N@H+](C)[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC001592230124 1192603226 /nfs/dbraw/zinc/60/32/26/1192603226.db2.gz LYVZEULRRYLRGJ-ZDUSSCGKSA-N 1 1 323.400 3.074 20 10 DGCDMO Nc1ccc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC001335287832 1178886591 /nfs/dbraw/zinc/88/65/91/1178886591.db2.gz BXRIYVYYEMEQRS-AWEZNQCLSA-N 1 1 324.350 3.321 20 10 DGCDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001341568767 1179030688 /nfs/dbraw/zinc/03/06/88/1179030688.db2.gz DZWSEOIGNRARKO-ZWKOTPCHSA-N 1 1 320.502 3.239 20 10 DGCDMO CC(C)C[N@H+](C)CCCNCc1ccc(N2CCCC2)cc1 ZINC001346193864 1179667737 /nfs/dbraw/zinc/66/77/37/1179667737.db2.gz AQWOTUQFQRJQRU-UHFFFAOYSA-N 1 1 303.494 3.354 20 10 DGCDMO CC(C)C[N@@H+](C)CCCNCc1ccc(N2CCCC2)cc1 ZINC001346193864 1179667743 /nfs/dbraw/zinc/66/77/43/1179667743.db2.gz AQWOTUQFQRJQRU-UHFFFAOYSA-N 1 1 303.494 3.354 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]CCCOC(C)C)c1 ZINC001648693548 1195323200 /nfs/dbraw/zinc/32/32/00/1195323200.db2.gz HZJFXIMYODBXKJ-UHFFFAOYSA-N 1 1 316.239 3.368 20 10 DGCDMO C[C@H](CNCc1ccc2c(c1)CCCO2)[N@@H+]1CCCC[C@H]1C ZINC001461048767 1182760963 /nfs/dbraw/zinc/76/09/63/1182760963.db2.gz RTSOMCNFTJTJCJ-HZPDHXFCSA-N 1 1 302.462 3.364 20 10 DGCDMO C[C@H](CNCc1ccc2c(c1)CCCO2)[N@H+]1CCCC[C@H]1C ZINC001461048767 1182760968 /nfs/dbraw/zinc/76/09/68/1182760968.db2.gz RTSOMCNFTJTJCJ-HZPDHXFCSA-N 1 1 302.462 3.364 20 10 DGCDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(Br)cc1O ZINC001461965105 1182887548 /nfs/dbraw/zinc/88/75/48/1182887548.db2.gz ZBEJUZBBDFDRIP-ZJUUUORDSA-N 1 1 316.264 3.481 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc(Cl)cc1O)C1CC1 ZINC001462119053 1182910521 /nfs/dbraw/zinc/91/05/21/1182910521.db2.gz GIUKOTIJJCMXRD-CQSZACIVSA-N 1 1 311.809 3.352 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc(Cl)cc1O)C1CC1 ZINC001462119053 1182910525 /nfs/dbraw/zinc/91/05/25/1182910525.db2.gz GIUKOTIJJCMXRD-CQSZACIVSA-N 1 1 311.809 3.352 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@]3(CCO[C@H]3C)C2)c1 ZINC001462179269 1182919099 /nfs/dbraw/zinc/91/90/99/1182919099.db2.gz NACHXLOEFQMLTE-VCBZYWHSSA-N 1 1 319.445 3.284 20 10 DGCDMO CC(C)[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C1(CO)CCCC1 ZINC001462317730 1182938859 /nfs/dbraw/zinc/93/88/59/1182938859.db2.gz XJKHXFMLSBPFDG-INIZCTEOSA-N 1 1 313.388 3.337 20 10 DGCDMO CCOC(=O)CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC001462386209 1182945223 /nfs/dbraw/zinc/94/52/23/1182945223.db2.gz GVRYNBYOKKKUJE-FPLPWBNLSA-N 1 1 318.461 3.429 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@]2(C)C(=O)OC(C)(C)C)c1 ZINC001462479807 1182959108 /nfs/dbraw/zinc/95/91/08/1182959108.db2.gz KORZADQKPCNHQV-SFHVURJKSA-N 1 1 321.417 3.097 20 10 DGCDMO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001462542847 1182966098 /nfs/dbraw/zinc/96/60/98/1182966098.db2.gz PSPVIZMIXGFDEW-QGZVFWFLSA-N 1 1 303.494 3.210 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC001462580639 1182971700 /nfs/dbraw/zinc/97/17/00/1182971700.db2.gz UEWXKDSVZSWZSD-UHFFFAOYSA-N 1 1 313.800 3.360 20 10 DGCDMO Cc1noc([C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C(C)C)n1 ZINC001474306309 1183902357 /nfs/dbraw/zinc/90/23/57/1183902357.db2.gz ARLXKYCGOBTZEJ-DKRLNXSXSA-N 1 1 314.433 3.444 20 10 DGCDMO Cc1noc([C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C(C)C)n1 ZINC001474306310 1183902435 /nfs/dbraw/zinc/90/24/35/1183902435.db2.gz ARLXKYCGOBTZEJ-JTGQJZMRSA-N 1 1 314.433 3.444 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)ccc1N1CCCCC1 ZINC001616825182 1193548395 /nfs/dbraw/zinc/54/83/95/1193548395.db2.gz XTHRXWPZDQKUFX-DNVCBOLYSA-N 1 1 302.462 3.188 20 10 DGCDMO CC[NH+](CC)CCCN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001657023751 1196093785 /nfs/dbraw/zinc/09/37/85/1196093785.db2.gz OZGNZQJGMPZNCV-UHFFFAOYSA-N 1 1 303.494 3.449 20 10 DGCDMO CN(C)c1ccc(CNCC(C)(C)[NH+]2CCCCC2)cc1F ZINC001560247817 1189299097 /nfs/dbraw/zinc/29/90/97/1189299097.db2.gz BSTNFJGZECUSCU-UHFFFAOYSA-N 1 1 307.457 3.246 20 10 DGCDMO CCC(CC)[C@H](CNCc1ccc2c(c1)CCCO2)[NH+](C)C ZINC001560260572 1189301110 /nfs/dbraw/zinc/30/11/10/1189301110.db2.gz MAABPFJNNKPEFY-SFHVURJKSA-N 1 1 304.478 3.468 20 10 DGCDMO C[C@@H](CNCc1ccc(N(C)C)c(F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC001560265709 1189302797 /nfs/dbraw/zinc/30/27/97/1189302797.db2.gz BDNWLVFDYKMIML-GJZGRUSLSA-N 1 1 307.457 3.102 20 10 DGCDMO C[C@@H](CNCc1ccc(N(C)C)c(F)c1)[N@H+]1CCC[C@H](C)C1 ZINC001560265709 1189302800 /nfs/dbraw/zinc/30/28/00/1189302800.db2.gz BDNWLVFDYKMIML-GJZGRUSLSA-N 1 1 307.457 3.102 20 10 DGCDMO CCOc1ccccc1CC[NH2+]Cc1cc(F)cc(F)c1O ZINC001560323108 1189311230 /nfs/dbraw/zinc/31/12/30/1189311230.db2.gz GHBWFTXEIOXJQH-UHFFFAOYSA-N 1 1 307.340 3.401 20 10 DGCDMO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1(C)C ZINC001560414940 1189325265 /nfs/dbraw/zinc/32/52/65/1189325265.db2.gz RIHJLHISCXWCMT-ULCPSODYSA-N 1 1 301.789 3.334 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC001560671117 1189358663 /nfs/dbraw/zinc/35/86/63/1189358663.db2.gz SNIUBYAPODOCQA-MLGOLLRUSA-N 1 1 323.339 3.352 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC001560671117 1189358666 /nfs/dbraw/zinc/35/86/66/1189358666.db2.gz SNIUBYAPODOCQA-MLGOLLRUSA-N 1 1 323.339 3.352 20 10 DGCDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2O)C1 ZINC001560679237 1189359825 /nfs/dbraw/zinc/35/98/25/1189359825.db2.gz GYLQPKSCKBTJSQ-RDJZCZTQSA-N 1 1 318.461 3.217 20 10 DGCDMO CC[C@H](C)[NH+]1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC001560834139 1189390768 /nfs/dbraw/zinc/39/07/68/1189390768.db2.gz FNPFFRDKRLOFOD-NSHDSACASA-N 1 1 300.805 3.101 20 10 DGCDMO COC(=O)C[C@](C)([NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC001560976417 1189413779 /nfs/dbraw/zinc/41/37/79/1189413779.db2.gz SXQXVAVGSAGMII-HNNXBMFYSA-N 1 1 315.772 3.006 20 10 DGCDMO COc1c(O)c(C[N@H+](C)C[C@@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001560999483 1189418136 /nfs/dbraw/zinc/41/81/36/1189418136.db2.gz WLEFMPMNUVADJO-LLVKDONJSA-N 1 1 310.394 3.423 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)C[C@@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001560999483 1189418138 /nfs/dbraw/zinc/41/81/38/1189418138.db2.gz WLEFMPMNUVADJO-LLVKDONJSA-N 1 1 310.394 3.423 20 10 DGCDMO CCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)[C@H]1CCN(C)C1 ZINC001621407239 1193838692 /nfs/dbraw/zinc/83/86/92/1193838692.db2.gz RYSLBWVCRWDLSL-GHOSXJJBSA-N 1 1 301.478 3.182 20 10 DGCDMO CCCN(C/C=C/c1ccc(N(C)C)cc1)[C@H]1CC[N@H+](C)C1 ZINC001621407239 1193838696 /nfs/dbraw/zinc/83/86/96/1193838696.db2.gz RYSLBWVCRWDLSL-GHOSXJJBSA-N 1 1 301.478 3.182 20 10 DGCDMO CCCN(C/C=C/c1ccc(N(C)C)cc1)[C@H]1CC[N@@H+](C)C1 ZINC001621407239 1193838701 /nfs/dbraw/zinc/83/87/01/1193838701.db2.gz RYSLBWVCRWDLSL-GHOSXJJBSA-N 1 1 301.478 3.182 20 10 DGCDMO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2cc(F)c(F)cc2O)cc1 ZINC001621411040 1193839661 /nfs/dbraw/zinc/83/96/61/1193839661.db2.gz PGVXTAMNYJHCCO-DIFFPNOSSA-N 1 1 307.340 3.191 20 10 DGCDMO CCOC(=O)/C=C\C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC001641730963 1194868866 /nfs/dbraw/zinc/86/88/66/1194868866.db2.gz BPPGTDUOBARNMP-GHXNOFRVSA-N 1 1 303.402 3.256 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC001643685495 1195045636 /nfs/dbraw/zinc/04/56/36/1195045636.db2.gz ZSYXFJYSHRDSTP-ZACQAIPSSA-N 1 1 302.462 3.499 20 10 DGCDMO CCCOc1ccc(CN[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1C ZINC001650757732 1195379545 /nfs/dbraw/zinc/37/95/45/1195379545.db2.gz ABKWKCHXJODNOY-WBVHZDCISA-N 1 1 302.462 3.499 20 10 DGCDMO CCCOc1ccc(CN[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1C ZINC001650757732 1195379546 /nfs/dbraw/zinc/37/95/46/1195379546.db2.gz ABKWKCHXJODNOY-WBVHZDCISA-N 1 1 302.462 3.499 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC001651799533 1195511127 /nfs/dbraw/zinc/51/11/27/1195511127.db2.gz ACULMRQAQHTPAF-WBVHZDCISA-N 1 1 307.459 3.222 20 10 DGCDMO Oc1ccccc1N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001651894079 1195521237 /nfs/dbraw/zinc/52/12/37/1195521237.db2.gz FBVTWJSROADYMI-UHFFFAOYSA-N 1 1 318.804 3.073 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@H+](Cc1cccc(CC)c1O)C1CC1 ZINC001652238314 1195567193 /nfs/dbraw/zinc/56/71/93/1195567193.db2.gz ITZJZISECJAKJZ-MRXNPFEDSA-N 1 1 305.418 3.261 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@@H+](Cc1cccc(CC)c1O)C1CC1 ZINC001652238314 1195567196 /nfs/dbraw/zinc/56/71/96/1195567196.db2.gz ITZJZISECJAKJZ-MRXNPFEDSA-N 1 1 305.418 3.261 20 10 DGCDMO COc1cccc([C@@H](C[NH2+]Cc2cc(F)c(F)cc2O)OC)c1 ZINC001652865451 1195663614 /nfs/dbraw/zinc/66/36/14/1195663614.db2.gz HAXIGRCTCAVALB-QGZVFWFLSA-N 1 1 323.339 3.156 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)C[C@@](O)(CC)C(F)(F)F ZINC001653476045 1195726539 /nfs/dbraw/zinc/72/65/39/1195726539.db2.gz NNHMNQAFZUQPQZ-AWEZNQCLSA-N 1 1 305.340 3.308 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCCCCCNC(=O)CC2)cc1 ZINC001655283855 1195899175 /nfs/dbraw/zinc/89/91/75/1195899175.db2.gz DOMRFKDVFZRGOB-UHFFFAOYSA-N 1 1 317.477 3.025 20 10 DGCDMO C[C@H](CNCc1ccc(N(C)C)c(F)c1)[NH+]1CCC(C)CC1 ZINC001655454678 1195920180 /nfs/dbraw/zinc/92/01/80/1195920180.db2.gz QPALVRWSNKVXJD-OAHLLOKOSA-N 1 1 307.457 3.102 20 10 DGCDMO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC001657087525 1196103505 /nfs/dbraw/zinc/10/35/05/1196103505.db2.gz GQCIEXFFFNLBRR-CQSZACIVSA-N 1 1 313.449 3.208 20 10 DGCDMO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001657156659 1196111961 /nfs/dbraw/zinc/11/19/61/1196111961.db2.gz FIZGAIBLPOCEFV-IRXDYDNUSA-N 1 1 315.505 3.353 20 10 DGCDMO Cc1cc(N(C)C)ccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC001657173000 1196114587 /nfs/dbraw/zinc/11/45/87/1196114587.db2.gz GVOMXOHJGBBFAY-UHFFFAOYSA-N 1 1 323.484 3.379 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@@H+](CCO)CCc2ccccc2)cc1 ZINC001657471201 1196146172 /nfs/dbraw/zinc/14/61/72/1196146172.db2.gz XUKCPVGNLHTTEA-TWGQIWQCSA-N 1 1 324.468 3.303 20 10 DGCDMO CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC001657789065 1196178125 /nfs/dbraw/zinc/17/81/25/1196178125.db2.gz YLJCCYSKLZWLDG-DGCLKSJQSA-N 1 1 301.789 3.214 20 10 DGCDMO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cc(N(C)C)ccn1 ZINC001658003510 1196200883 /nfs/dbraw/zinc/20/08/83/1196200883.db2.gz PMBOOQXNGDXHFI-UHFFFAOYSA-N 1 1 308.429 3.238 20 10 DGCDMO CC[C@@H]1C[N@H+](CC)CCN1Cc1cc(Cl)cc(F)c1O ZINC001658102533 1196211891 /nfs/dbraw/zinc/21/18/91/1196211891.db2.gz PYLSEPXRIUNEJS-CYBMUJFWSA-N 1 1 300.805 3.101 20 10 DGCDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1cc(Cl)cc(F)c1O ZINC001658102533 1196211894 /nfs/dbraw/zinc/21/18/94/1196211894.db2.gz PYLSEPXRIUNEJS-CYBMUJFWSA-N 1 1 300.805 3.101 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC001658475243 1196262054 /nfs/dbraw/zinc/26/20/54/1196262054.db2.gz HYYWNLNHYKUABF-KRWDZBQOSA-N 1 1 318.461 3.367 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC001658475243 1196262056 /nfs/dbraw/zinc/26/20/56/1196262056.db2.gz HYYWNLNHYKUABF-KRWDZBQOSA-N 1 1 318.461 3.367 20 10 DGCDMO CC1CCC([NH+]2CCN(Cc3cc(F)cc(F)c3O)CC2)CC1 ZINC001658514389 1196268777 /nfs/dbraw/zinc/26/87/77/1196268777.db2.gz XTBUIKNUOFQKCG-UHFFFAOYSA-N 1 1 324.415 3.367 20 10 DGCDMO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001658802189 1196302101 /nfs/dbraw/zinc/30/21/01/1196302101.db2.gz MZIVXSSHNJROLL-WOJBJXKFSA-N 1 1 315.505 3.497 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCc3cccc(F)c3C2)c(O)c1 ZINC001658896063 1196316100 /nfs/dbraw/zinc/31/61/00/1196316100.db2.gz YUNKWWWUBGDXDW-UHFFFAOYSA-N 1 1 301.361 3.407 20 10 DGCDMO C[C@H](c1ccccc1)[N@H+](CCO)Cc1cc(F)c(F)cc1O ZINC001659092377 1196343086 /nfs/dbraw/zinc/34/30/86/1196343086.db2.gz UFXVITJCZPLHLK-GFCCVEGCSA-N 1 1 307.340 3.226 20 10 DGCDMO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1cc(F)c(F)cc1O ZINC001659092377 1196343089 /nfs/dbraw/zinc/34/30/89/1196343089.db2.gz UFXVITJCZPLHLK-GFCCVEGCSA-N 1 1 307.340 3.226 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCc2ccnc(N(C)C)c2C1 ZINC001659110668 1196346574 /nfs/dbraw/zinc/34/65/74/1196346574.db2.gz DVZYYMMXRYIJFO-UHFFFAOYSA-N 1 1 324.472 3.080 20 10 DGCDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1c([O-])ccc(Cl)c1F ZINC001659209869 1196358847 /nfs/dbraw/zinc/35/88/47/1196358847.db2.gz HAJCXRVZCQSUBR-LLVKDONJSA-N 1 1 300.805 3.101 20 10 DGCDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1c(O)ccc(Cl)c1F ZINC001659209869 1196358857 /nfs/dbraw/zinc/35/88/57/1196358857.db2.gz HAJCXRVZCQSUBR-LLVKDONJSA-N 1 1 300.805 3.101 20 10 DGCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc(C(C)C)ccc1O ZINC001659752527 1196411160 /nfs/dbraw/zinc/41/11/60/1196411160.db2.gz QMQTUTZHAYIMBK-LVGQOLGVSA-N 1 1 301.430 3.371 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001659847634 1196421204 /nfs/dbraw/zinc/42/12/04/1196421204.db2.gz KVLUWCAQOIIXBU-OAHLLOKOSA-N 1 1 323.314 3.463 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001659847634 1196421206 /nfs/dbraw/zinc/42/12/06/1196421206.db2.gz KVLUWCAQOIIXBU-OAHLLOKOSA-N 1 1 323.314 3.463 20 10 DGCDMO Oc1cccc2c1C[N@H+](Cc1c(O)cccc1Br)C2 ZINC001659884673 1196425472 /nfs/dbraw/zinc/42/54/72/1196425472.db2.gz NHCYRQYRTCXHDW-UHFFFAOYSA-N 1 1 320.186 3.376 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1c(O)cccc1Br)C2 ZINC001659884673 1196425474 /nfs/dbraw/zinc/42/54/74/1196425474.db2.gz NHCYRQYRTCXHDW-UHFFFAOYSA-N 1 1 320.186 3.376 20 10 DGCDMO CCc1cccc(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)c1O ZINC001660479713 1196488884 /nfs/dbraw/zinc/48/88/84/1196488884.db2.gz YZFCYJQZKGIKKM-UHFFFAOYSA-N 1 1 322.452 3.272 20 10 DGCDMO Oc1cccc2c1C[N@H+](Cc1cnn(Cc3ccc(F)cc3)c1)C2 ZINC001660549545 1196496040 /nfs/dbraw/zinc/49/60/40/1196496040.db2.gz BKBGZIZNYRIRGG-UHFFFAOYSA-N 1 1 323.371 3.292 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1cnn(Cc3ccc(F)cc3)c1)C2 ZINC001660549545 1196496043 /nfs/dbraw/zinc/49/60/43/1196496043.db2.gz BKBGZIZNYRIRGG-UHFFFAOYSA-N 1 1 323.371 3.292 20 10 DGCDMO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(F)c(F)cc3O)C2)n1 ZINC001660801096 1196526885 /nfs/dbraw/zinc/52/68/85/1196526885.db2.gz ZUCNHUQSHDXQKY-ONGXEEELSA-N 1 1 323.343 3.042 20 10 DGCDMO C[C@@H](CNCc1ccc(N(C)C)c(F)c1)C[NH+]1CCCCC1 ZINC001661054800 1196559487 /nfs/dbraw/zinc/55/94/87/1196559487.db2.gz SNPBRSLYYXJVTN-HNNXBMFYSA-N 1 1 307.457 3.103 20 10 DGCDMO CN(C)c1nc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cs1 ZINC001661626114 1196625439 /nfs/dbraw/zinc/62/54/39/1196625439.db2.gz YVWZDULYUNQGGC-UHFFFAOYSA-N 1 1 316.474 3.099 20 10 DGCDMO Cc1cccc2c1OC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C2 ZINC001662571498 1196730861 /nfs/dbraw/zinc/73/08/61/1196730861.db2.gz IAPLQAWZDMWLAD-CQSZACIVSA-N 1 1 305.324 3.072 20 10 DGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c(C)cc(OC)cc2O)C12CCC2 ZINC001663821120 1196948287 /nfs/dbraw/zinc/94/82/87/1196948287.db2.gz CVSBZEUZMLHIKM-MSOLQXFVSA-N 1 1 319.445 3.489 20 10 DGCDMO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001663949872 1196960123 /nfs/dbraw/zinc/96/01/23/1196960123.db2.gz OSKIEGIXSIYGLM-LLVKDONJSA-N 1 1 307.340 3.439 20 10 DGCDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001663949872 1196960126 /nfs/dbraw/zinc/96/01/26/1196960126.db2.gz OSKIEGIXSIYGLM-LLVKDONJSA-N 1 1 307.340 3.439 20 10 DGCDMO Oc1c(F)cccc1C[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001665916518 1197216515 /nfs/dbraw/zinc/21/65/15/1197216515.db2.gz ZKNJDAJZOFVELY-QGZVFWFLSA-N 1 1 301.361 3.495 20 10 DGCDMO Oc1c(F)cccc1C[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001665916518 1197216518 /nfs/dbraw/zinc/21/65/18/1197216518.db2.gz ZKNJDAJZOFVELY-QGZVFWFLSA-N 1 1 301.361 3.495 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@@]1(C)O ZINC001237078398 1099958336 /nfs/dbraw/zinc/95/83/36/1099958336.db2.gz RRQOBTWZLSVETL-YMTOWFKASA-N 1 1 304.217 3.292 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C[C@@]1(C)O ZINC001237078398 1099958346 /nfs/dbraw/zinc/95/83/46/1099958346.db2.gz RRQOBTWZLSVETL-YMTOWFKASA-N 1 1 304.217 3.292 20 10 DGCDMO COC[C@H](C[N@H+]1CCCN(c2ccc(OC)cc2)CC1)C(C)C ZINC001167107620 1081705279 /nfs/dbraw/zinc/70/52/79/1081705279.db2.gz FKIRRCALEZYLLT-KRWDZBQOSA-N 1 1 320.477 3.126 20 10 DGCDMO Cc1nc([C@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)no1 ZINC001140337777 1082143201 /nfs/dbraw/zinc/14/32/01/1082143201.db2.gz DQBOZIDKEJZKMC-NSHDSACASA-N 1 1 307.781 3.117 20 10 DGCDMO CCCO[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707142182 1082213682 /nfs/dbraw/zinc/21/36/82/1082213682.db2.gz IFUNFVDOOGOCBE-LLVKDONJSA-N 1 1 314.223 3.156 20 10 DGCDMO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(Cl)cc1O ZINC001204581669 1082458603 /nfs/dbraw/zinc/45/86/03/1082458603.db2.gz VHFZSMIHGDCGBS-OAQYLSRUSA-N 1 1 323.845 3.415 20 10 DGCDMO CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2ccc(C)cc2O)C1 ZINC001140958332 1083226628 /nfs/dbraw/zinc/22/66/28/1083226628.db2.gz YDUJJOPDCKHHFL-UHFFFAOYSA-N 1 1 320.433 3.190 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(O)c1 ZINC001182128266 1083625125 /nfs/dbraw/zinc/62/51/25/1083625125.db2.gz SQSJAYAVJSQCPU-MSOLQXFVSA-N 1 1 317.429 3.243 20 10 DGCDMO Cc1cc(C[N@H+]2CCCO[C@@H](C)C2)c(O)cc1Br ZINC001250120653 1083993838 /nfs/dbraw/zinc/99/38/38/1083993838.db2.gz LPQBESIHNMIZGQ-NSHDSACASA-N 1 1 314.223 3.074 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@H]1O ZINC001183991400 1084084510 /nfs/dbraw/zinc/08/45/10/1084084510.db2.gz HJAUSXJRJOGGFB-IIBYNOLFSA-N 1 1 322.452 3.062 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)c1O ZINC001203585541 1084156009 /nfs/dbraw/zinc/15/60/09/1084156009.db2.gz OWHYYUYVLBZVGY-ZDUSSCGKSA-N 1 1 307.287 3.125 20 10 DGCDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(OC)cc3O)C2)cc1 ZINC000092783652 1084727525 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CN1CCOc2cc(C[N@@H+](C)CCc3cccc(F)c3)ccc21 ZINC001141144511 1092149995 /nfs/dbraw/zinc/14/99/95/1092149995.db2.gz FYRPYUPOLNUKKV-UHFFFAOYSA-N 1 1 314.404 3.329 20 10 DGCDMO C[N@H+](Cc1cc(O)ccc1O)Cc1ncccc1C(F)(F)F ZINC001141156023 1092155562 /nfs/dbraw/zinc/15/55/62/1092155562.db2.gz CYKZYGHTHBPXOI-UHFFFAOYSA-N 1 1 312.291 3.144 20 10 DGCDMO C[N@@H+](Cc1cc(O)ccc1O)Cc1ncccc1C(F)(F)F ZINC001141156023 1092155569 /nfs/dbraw/zinc/15/55/69/1092155569.db2.gz CYKZYGHTHBPXOI-UHFFFAOYSA-N 1 1 312.291 3.144 20 10 DGCDMO COC(=O)[C@H]1CC[C@H](C[N@@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001208631861 1092436445 /nfs/dbraw/zinc/43/64/45/1092436445.db2.gz DWLALEKIFRRTBG-JCNLHEQBSA-N 1 1 318.461 3.164 20 10 DGCDMO COc1ccccc1CC[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001142524983 1092493467 /nfs/dbraw/zinc/49/34/67/1092493467.db2.gz RQHPEXGXAPCYET-UHFFFAOYSA-N 1 1 307.340 3.354 20 10 DGCDMO COc1ccccc1CC[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001142524983 1092493473 /nfs/dbraw/zinc/49/34/73/1092493473.db2.gz RQHPEXGXAPCYET-UHFFFAOYSA-N 1 1 307.340 3.354 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001142524950 1092494797 /nfs/dbraw/zinc/49/47/97/1092494797.db2.gz QVNLAXFJIGMVOT-CQSZACIVSA-N 1 1 320.339 3.109 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001142524950 1092494800 /nfs/dbraw/zinc/49/48/00/1092494800.db2.gz QVNLAXFJIGMVOT-CQSZACIVSA-N 1 1 320.339 3.109 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023291 1092504890 /nfs/dbraw/zinc/50/48/90/1092504890.db2.gz FDUDXTISOYVDTC-FUHWJXTLSA-N 1 1 317.433 3.164 20 10 DGCDMO C[C@@H](C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC001208893130 1092570742 /nfs/dbraw/zinc/57/07/42/1092570742.db2.gz FVMXAKRTWAWANP-ZDUSSCGKSA-N 1 1 316.367 3.153 20 10 DGCDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC001143103811 1092614900 /nfs/dbraw/zinc/61/49/00/1092614900.db2.gz KRESNQRHKNATIN-HNNXBMFYSA-N 1 1 317.351 3.189 20 10 DGCDMO Oc1cc2c(cc1O)C[N@@H+](CCc1cc(F)cc(F)c1)CCC2 ZINC001209134084 1092667907 /nfs/dbraw/zinc/66/79/07/1092667907.db2.gz YVTSQUNUZPAETI-UHFFFAOYSA-N 1 1 319.351 3.367 20 10 DGCDMO CCCN(Cc1ccccc1O)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001149880367 1092739624 /nfs/dbraw/zinc/73/96/24/1092739624.db2.gz IQTDGPTWFVHJDR-UHFFFAOYSA-N 1 1 306.450 3.109 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)cc1 ZINC001209516888 1092806239 /nfs/dbraw/zinc/80/62/39/1092806239.db2.gz RWRLHDZWKBEAJS-OALUTQOASA-N 1 1 316.420 3.389 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCN3CCC2CC3)cc1 ZINC001209520290 1092807698 /nfs/dbraw/zinc/80/76/98/1092807698.db2.gz URTJUIFPUUGCNQ-UHFFFAOYSA-N 1 1 309.457 3.374 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(CN2CC[NH+]3CCC2CC3)cc1 ZINC001209520290 1092807707 /nfs/dbraw/zinc/80/77/07/1092807707.db2.gz URTJUIFPUUGCNQ-UHFFFAOYSA-N 1 1 309.457 3.374 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)ccn1 ZINC001209642619 1092861408 /nfs/dbraw/zinc/86/14/08/1092861408.db2.gz WXEMQONQLYGHGC-UHFFFAOYSA-N 1 1 311.429 3.322 20 10 DGCDMO Cc1cccn2cc(C[N@@H+](C)Cc3ccc(N(C)C)cc3)nc12 ZINC001209741441 1092900006 /nfs/dbraw/zinc/90/00/06/1092900006.db2.gz SSEIUWOQLRGJFR-UHFFFAOYSA-N 1 1 308.429 3.341 20 10 DGCDMO Cc1cccn2cc(C[N@H+](C)Cc3ccc(N(C)C)cc3)nc12 ZINC001209741441 1092900013 /nfs/dbraw/zinc/90/00/13/1092900013.db2.gz SSEIUWOQLRGJFR-UHFFFAOYSA-N 1 1 308.429 3.341 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(O)c1 ZINC000183212119 1093995309 /nfs/dbraw/zinc/99/53/09/1093995309.db2.gz DKDIGJVHTCPONS-QGZVFWFLSA-N 1 1 317.360 3.193 20 10 DGCDMO COc1cc(Cl)cc(CN2CCC[C@H](C)[C@H]2CC[NH3+])c1O ZINC000404315970 1094254282 /nfs/dbraw/zinc/25/42/82/1094254282.db2.gz OEYNQWIIOGITND-SMDDNHRTSA-N 1 1 312.841 3.004 20 10 DGCDMO Cc1cc(C[NH2+]Cc2cccc(Br)c2O)sn1 ZINC000404397362 1094256444 /nfs/dbraw/zinc/25/64/44/1094256444.db2.gz SWXJPTHJPXFURL-UHFFFAOYSA-N 1 1 313.220 3.209 20 10 DGCDMO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000691425761 1094941623 /nfs/dbraw/zinc/94/16/23/1094941623.db2.gz DZNFAUOLVJHJCT-LLVKDONJSA-N 1 1 306.150 3.432 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCC[C@]3(CCCN(C)C3)C2)c(O)c1 ZINC001276814241 1095110090 /nfs/dbraw/zinc/11/00/90/1095110090.db2.gz FOZOZQONDAWVGO-IBGZPJMESA-N 1 1 318.461 3.099 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@]3(CCCN(C)C3)C2)c(O)c1 ZINC001276814241 1095110098 /nfs/dbraw/zinc/11/00/98/1095110098.db2.gz FOZOZQONDAWVGO-IBGZPJMESA-N 1 1 318.461 3.099 20 10 DGCDMO Cc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(C)[nH+]1 ZINC001338319703 1095263175 /nfs/dbraw/zinc/26/31/75/1095263175.db2.gz KTPKOPVMUFPTCQ-AWEZNQCLSA-N 1 1 312.417 3.069 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(OC)c(C)c1 ZINC001137009338 1095283716 /nfs/dbraw/zinc/28/37/16/1095283716.db2.gz BRTLWZGOFDIYAL-UHFFFAOYSA-N 1 1 313.445 3.487 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001137036431 1095300271 /nfs/dbraw/zinc/30/02/71/1095300271.db2.gz MJGNIPGTRNTOET-UHFFFAOYSA-N 1 1 311.429 3.322 20 10 DGCDMO [O-]c1cc(F)cc(F)c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222166646 1095471498 /nfs/dbraw/zinc/47/14/98/1095471498.db2.gz ATZYPKIETVJQDZ-GOSISDBHSA-N 1 1 324.415 3.416 20 10 DGCDMO c1[nH]c(C[NH2+]Cc2ccc3c(c2)CCO3)nc1-c1ccccc1 ZINC001116825104 1095670994 /nfs/dbraw/zinc/67/09/94/1095670994.db2.gz KCDLUKCWHVHOKD-UHFFFAOYSA-N 1 1 305.381 3.301 20 10 DGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c(O)c1 ZINC001144520596 1095696876 /nfs/dbraw/zinc/69/68/76/1095696876.db2.gz VWOMTHNQUFYHAB-AWEZNQCLSA-N 1 1 317.360 3.150 20 10 DGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@H]2c2ccccc2F)c(O)c1 ZINC001144509288 1095697973 /nfs/dbraw/zinc/69/79/73/1095697973.db2.gz RVSWBHZUOJQYHE-HNNXBMFYSA-N 1 1 303.333 3.280 20 10 DGCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c(O)c1 ZINC001144514452 1095698136 /nfs/dbraw/zinc/69/81/36/1095698136.db2.gz FCUJIXQPDCLGRH-GFCCVEGCSA-N 1 1 319.788 3.446 20 10 DGCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c(O)c1 ZINC001144514478 1095701213 /nfs/dbraw/zinc/70/12/13/1095701213.db2.gz HJIXEMBFOASMKL-GFCCVEGCSA-N 1 1 319.788 3.446 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1cccc(-c3cncnc3)c1)CC2 ZINC001137771339 1095738290 /nfs/dbraw/zinc/73/82/90/1095738290.db2.gz APNPPSUHFUYSNL-UHFFFAOYSA-N 1 1 317.392 3.408 20 10 DGCDMO Oc1cccc(F)c1C[N@H+](Cc1cccnc1)C1CCOCC1 ZINC001137837833 1095758888 /nfs/dbraw/zinc/75/88/88/1095758888.db2.gz WITAEPMLOZSQFB-UHFFFAOYSA-N 1 1 316.376 3.108 20 10 DGCDMO Oc1cccc(F)c1C[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001137837833 1095758893 /nfs/dbraw/zinc/75/88/93/1095758893.db2.gz WITAEPMLOZSQFB-UHFFFAOYSA-N 1 1 316.376 3.108 20 10 DGCDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1c(O)cccc1F ZINC001137841853 1095763469 /nfs/dbraw/zinc/76/34/69/1095763469.db2.gz XPBFOHCHQNFDTH-NEPJUHHUSA-N 1 1 324.396 3.019 20 10 DGCDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1c(O)cccc1F ZINC001137841853 1095763486 /nfs/dbraw/zinc/76/34/86/1095763486.db2.gz XPBFOHCHQNFDTH-NEPJUHHUSA-N 1 1 324.396 3.019 20 10 DGCDMO Cc1cc(C[N@H+](C)CCC(=O)N(C)C)c(C)n1-c1ccccc1 ZINC001137859191 1095769022 /nfs/dbraw/zinc/76/90/22/1095769022.db2.gz NGXOKGALHHOTKZ-UHFFFAOYSA-N 1 1 313.445 3.004 20 10 DGCDMO Oc1c(F)cccc1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001138127965 1095899009 /nfs/dbraw/zinc/89/90/09/1095899009.db2.gz ZZQOKHIAEKBNHJ-UHFFFAOYSA-N 1 1 319.351 3.154 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172228508 1097082386 /nfs/dbraw/zinc/08/23/86/1097082386.db2.gz GBBMGANEDDNMFT-YQQQUEKLSA-N 1 1 300.446 3.429 20 10 DGCDMO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C ZINC001172358229 1097124138 /nfs/dbraw/zinc/12/41/38/1097124138.db2.gz GNUFUVNKJVLXPI-ZHALLVOQSA-N 1 1 315.505 3.353 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)[C@H]1COc2cccc(OC)c2C1 ZINC001173165951 1097342248 /nfs/dbraw/zinc/34/22/48/1097342248.db2.gz QABWYOZJDDASCF-OAHLLOKOSA-N 1 1 313.397 3.226 20 10 DGCDMO Cc1cc(F)cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1O ZINC001277518947 1097750272 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Cc1cccc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1O ZINC001231593428 1097786834 /nfs/dbraw/zinc/78/68/34/1097786834.db2.gz XSMCQEHETYQVRR-KRWDZBQOSA-N 1 1 301.361 3.493 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)c1O ZINC001231590646 1097786970 /nfs/dbraw/zinc/78/69/70/1097786970.db2.gz CSNJECPIXMXEJO-SWLSCSKDSA-N 1 1 317.351 3.226 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c1O ZINC001231590647 1097787621 /nfs/dbraw/zinc/78/76/21/1097787621.db2.gz CSNJECPIXMXEJO-WFASDCNBSA-N 1 1 317.351 3.226 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3C)C2)c1O ZINC001231595179 1097788248 /nfs/dbraw/zinc/78/82/48/1097788248.db2.gz PQUSFDBSPOGVMI-QGZVFWFLSA-N 1 1 312.413 3.447 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c(O)cc1O ZINC001231635737 1097797401 /nfs/dbraw/zinc/79/74/01/1097797401.db2.gz JCVLEPOCYYIYTN-HNNXBMFYSA-N 1 1 313.397 3.171 20 10 DGCDMO COc1cc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c(O)cc1O ZINC001231639171 1097798905 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COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(N(C)C)cc1OC)C2 ZINC001231851729 1097865873 /nfs/dbraw/zinc/86/58/73/1097865873.db2.gz AYFMDCGEIDDXJL-APWZRJJASA-N 1 1 318.461 3.010 20 10 DGCDMO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231869988 1097869355 /nfs/dbraw/zinc/86/93/55/1097869355.db2.gz DRXPUWAUODTCRD-SCRDCRAPSA-N 1 1 323.820 3.128 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@](O)(CF)CC2)cc1Cl ZINC001231868653 1097869639 /nfs/dbraw/zinc/86/96/39/1097869639.db2.gz VUEORGLBAWATQU-OAHLLOKOSA-N 1 1 301.789 3.041 20 10 DGCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231871607 1097871606 /nfs/dbraw/zinc/87/16/06/1097871606.db2.gz OCRHXHUTVNOJGJ-LBPRGKRZSA-N 1 1 311.809 3.129 20 10 DGCDMO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001231871155 1097871928 /nfs/dbraw/zinc/87/19/28/1097871928.db2.gz ZXDBZCUYVGWCET-OAHLLOKOSA-N 1 1 324.852 3.235 20 10 DGCDMO CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001231871155 1097871934 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CCC[N@H+](Cc1cc(Cl)c(OC)cc1O)C1CCOCC1 ZINC001232267989 1097989075 /nfs/dbraw/zinc/98/90/75/1097989075.db2.gz LABYMYOHSVEZPY-UHFFFAOYSA-N 1 1 313.825 3.445 20 10 DGCDMO CCC[N@@H+](Cc1cc(Cl)c(OC)cc1O)C1CCOCC1 ZINC001232267989 1097989078 /nfs/dbraw/zinc/98/90/78/1097989078.db2.gz LABYMYOHSVEZPY-UHFFFAOYSA-N 1 1 313.825 3.445 20 10 DGCDMO COC(=O)c1c(C[N@@H+]2CCC[C@@](C)(F)C2)c2ccccc2n1C ZINC001232401778 1098028542 /nfs/dbraw/zinc/02/85/42/1098028542.db2.gz DFUDJECQXFQZMX-GOSISDBHSA-N 1 1 318.392 3.289 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CCC[C@@](C)(F)C2)c2ccccc2n1C ZINC001232401778 1098028547 /nfs/dbraw/zinc/02/85/47/1098028547.db2.gz DFUDJECQXFQZMX-GOSISDBHSA-N 1 1 318.392 3.289 20 10 DGCDMO C[N@H+](Cc1[nH]nc2c1CCC2)Cc1ccc(N2CCCC2)cc1 ZINC001232425675 1098035467 /nfs/dbraw/zinc/03/54/67/1098035467.db2.gz CQWGQBVEVNRWOB-UHFFFAOYSA-N 1 1 310.445 3.131 20 10 DGCDMO C[N@@H+](Cc1[nH]nc2c1CCC2)Cc1ccc(N2CCCC2)cc1 ZINC001232425675 1098035469 /nfs/dbraw/zinc/03/54/69/1098035469.db2.gz 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DGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCc3c(cc[nH]c3=O)C2)c1 ZINC001233286876 1098276917 /nfs/dbraw/zinc/27/69/17/1098276917.db2.gz MIZQAAFVXNCQRO-UHFFFAOYSA-N 1 1 312.413 3.349 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2ccc(C)nc2)c1O ZINC001233290601 1098278277 /nfs/dbraw/zinc/27/82/77/1098278277.db2.gz MSTBQEWWUFKYOY-UHFFFAOYSA-N 1 1 306.793 3.390 20 10 DGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001233334467 1098292733 /nfs/dbraw/zinc/29/27/33/1098292733.db2.gz IECBVHPMSYCXMF-ZDUSSCGKSA-N 1 1 305.324 3.324 20 10 DGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001233334467 1098292739 /nfs/dbraw/zinc/29/27/39/1098292739.db2.gz IECBVHPMSYCXMF-ZDUSSCGKSA-N 1 1 305.324 3.324 20 10 DGCDMO Oc1c(C[N@@H+]2CCCC3(COC3)C2)cccc1C(F)(F)F ZINC001233416879 1098321848 /nfs/dbraw/zinc/32/18/48/1098321848.db2.gz ZWRYAUQTMPDMCX-UHFFFAOYSA-N 1 1 301.308 3.023 20 10 DGCDMO Oc1c(C[N@H+]2CCCC3(COC3)C2)cccc1C(F)(F)F ZINC001233416879 1098321854 /nfs/dbraw/zinc/32/18/54/1098321854.db2.gz 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ZINC001233419401 1098325244 /nfs/dbraw/zinc/32/52/44/1098325244.db2.gz WSEUJAUNCILSRZ-CQSZACIVSA-N 1 1 301.308 3.166 20 10 DGCDMO C[N@@H+](C1CC1)[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455252 1098339697 /nfs/dbraw/zinc/33/96/97/1098339697.db2.gz CIOGFTBQCGSPBA-AWEZNQCLSA-N 1 1 314.351 3.080 20 10 DGCDMO CN(C1CC1)[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455252 1098339703 /nfs/dbraw/zinc/33/97/03/1098339703.db2.gz CIOGFTBQCGSPBA-AWEZNQCLSA-N 1 1 314.351 3.080 20 10 DGCDMO CN(C1CC1)[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455252 1098339710 /nfs/dbraw/zinc/33/97/10/1098339710.db2.gz CIOGFTBQCGSPBA-AWEZNQCLSA-N 1 1 314.351 3.080 20 10 DGCDMO CCCO[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233453950 1098340562 /nfs/dbraw/zinc/34/05/62/1098340562.db2.gz ABDAWTCZKGBLEK-CYBMUJFWSA-N 1 1 303.324 3.412 20 10 DGCDMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455669 1098340818 /nfs/dbraw/zinc/34/08/18/1098340818.db2.gz UADKVALQSGGRFU-CQSZACIVSA-N 1 1 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CCOC(=O)C[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC(C)C ZINC001308559103 1111443698 /nfs/dbraw/zinc/44/36/98/1111443698.db2.gz CIGFMVVKKOAGCI-BQYQJAHWSA-N 1 1 318.461 3.287 20 10 DGCDMO CCOC(=O)C[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC(C)C ZINC001308559103 1111443703 /nfs/dbraw/zinc/44/37/03/1111443703.db2.gz CIGFMVVKKOAGCI-BQYQJAHWSA-N 1 1 318.461 3.287 20 10 DGCDMO CCc1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1O ZINC001308559663 1111444890 /nfs/dbraw/zinc/44/48/90/1111444890.db2.gz GHRCHZGCDPPYFE-UHFFFAOYSA-N 1 1 310.441 3.272 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)CCCNC(=O)C2CCC2)c1 ZINC001308686970 1111460351 /nfs/dbraw/zinc/46/03/51/1111460351.db2.gz PSCBUBCWTBUZJV-UHFFFAOYSA-N 1 1 318.461 3.254 20 10 DGCDMO COC(=O)[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)CC(C)C ZINC001308795186 1111476552 /nfs/dbraw/zinc/47/65/52/1111476552.db2.gz PZZXZFQWWZRXFA-LLVKDONJSA-N 1 1 317.788 3.110 20 10 DGCDMO CCOC(=O)C[N@H+](Cc1ccccc1O)CC1CCCCC1 ZINC001308829126 1111480821 /nfs/dbraw/zinc/48/08/21/1111480821.db2.gz CSQJZWPARFVKCQ-UHFFFAOYSA-N 1 1 305.418 3.338 20 10 DGCDMO CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001308920127 1111493777 /nfs/dbraw/zinc/49/37/77/1111493777.db2.gz ZWKMLGMQTHXQRB-UXHICEINSA-N 1 1 315.505 3.353 20 10 DGCDMO COc1cc(C)c(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c(O)c1 ZINC001308938650 1111496241 /nfs/dbraw/zinc/49/62/41/1111496241.db2.gz OVNZYFIUFHDECJ-UZLBHIALSA-N 1 1 309.409 3.483 20 10 DGCDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2O)C1)CC(F)(F)F ZINC000179582394 432064214 /nfs/dbraw/zinc/06/42/14/432064214.db2.gz YXKPLTPXCBBZHD-ZDUSSCGKSA-N 1 1 316.367 3.098 20 10 DGCDMO COc1ccc(O)c(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000179838517 432071873 /nfs/dbraw/zinc/07/18/73/432071873.db2.gz KGFQFXMTKHAMDX-KRWDZBQOSA-N 1 1 317.385 3.175 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(F)cc1O ZINC000170788861 432081370 /nfs/dbraw/zinc/08/13/70/432081370.db2.gz KITUQPOQTODPKT-LLVKDONJSA-N 1 1 303.333 3.153 20 10 DGCDMO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1O ZINC000170789687 432081862 /nfs/dbraw/zinc/08/18/62/432081862.db2.gz GXHBPSDXWDHUSX-NSHDSACASA-N 1 1 304.321 3.333 20 10 DGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000180282078 432082492 /nfs/dbraw/zinc/08/24/92/432082492.db2.gz IDBPAJHFPWKNTH-INIZCTEOSA-N 1 1 303.789 3.137 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000092975343 193191914 /nfs/dbraw/zinc/19/19/14/193191914.db2.gz BRIVGPMNJKKZMW-GOSISDBHSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000092975343 193191915 /nfs/dbraw/zinc/19/19/15/193191915.db2.gz BRIVGPMNJKKZMW-GOSISDBHSA-N 1 1 301.361 3.413 20 10 DGCDMO Oc1c(Br)cccc1C[NH2+]CCOc1ccccc1 ZINC000042894657 183317335 /nfs/dbraw/zinc/31/73/35/183317335.db2.gz SNKVKIAJJKWTEK-UHFFFAOYSA-N 1 1 322.202 3.323 20 10 DGCDMO Oc1ccccc1C[N@@H+](CC1CC(F)(F)C1)C[C@H]1CCCO1 ZINC000294877864 285397563 /nfs/dbraw/zinc/39/75/63/285397563.db2.gz FRJVIPPAVDFANL-OAHLLOKOSA-N 1 1 311.372 3.419 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273343753 130110067 /nfs/dbraw/zinc/11/00/67/130110067.db2.gz AFIGOOHEDGDIKT-QWRGUYRKSA-N 1 1 304.394 3.054 20 10 DGCDMO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1O ZINC000273424977 130120589 /nfs/dbraw/zinc/12/05/89/130120589.db2.gz TVDWYWMRXKNXBM-LBPRGKRZSA-N 1 1 316.376 3.084 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)c1 ZINC000273540897 130133260 /nfs/dbraw/zinc/13/32/60/130133260.db2.gz YFYZTQXERCCUQI-ZUZCIYMTSA-N 1 1 323.339 3.063 20 10 DGCDMO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)c(O)c1 ZINC000273537016 130134290 /nfs/dbraw/zinc/13/42/90/130134290.db2.gz XPYYPFUAFJEDBV-NHYWBVRUSA-N 1 1 307.340 3.363 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1O ZINC000273750126 130162018 /nfs/dbraw/zinc/16/20/18/130162018.db2.gz NJTUJRAGBHBAFT-NSHDSACASA-N 1 1 321.808 3.157 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(F)cc1O ZINC000285890134 131208350 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COc1ccc(N2CCC[N@@H+](CCC(F)(F)F)CC2)cc1 ZINC000077268238 400702579 /nfs/dbraw/zinc/70/25/79/400702579.db2.gz FGFNJIUCHPXIGY-UHFFFAOYSA-N 1 1 302.340 3.160 20 10 DGCDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(OC)ccc2O)o1 ZINC000137072874 432169194 /nfs/dbraw/zinc/16/91/94/432169194.db2.gz STWWLMMIXFCRSA-MRXNPFEDSA-N 1 1 317.385 3.477 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)c1 ZINC000180203316 274114566 /nfs/dbraw/zinc/11/45/66/274114566.db2.gz OWILCCGNZBSDKA-IBGZPJMESA-N 1 1 313.397 3.148 20 10 DGCDMO COc1ccc2c(c1)CC[N@H+](Cc1cccc(OC)c1O)CC2 ZINC000375533928 274123456 /nfs/dbraw/zinc/12/34/56/274123456.db2.gz MFUVDDJCEMXMIA-UHFFFAOYSA-N 1 1 313.397 3.010 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCc1ccncc1)C[C@H]1CCCO1 ZINC000112600312 275061617 /nfs/dbraw/zinc/06/16/17/275061617.db2.gz MOGKVKPDJPIMBF-GOSISDBHSA-N 1 1 312.413 3.011 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1O ZINC000292796028 276379580 /nfs/dbraw/zinc/37/95/80/276379580.db2.gz MWHHQNLLOJRYOT-INIZCTEOSA-N 1 1 305.418 3.039 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1O ZINC000271047571 276379801 /nfs/dbraw/zinc/37/98/01/276379801.db2.gz SGUUGZYUMDVVDZ-GOSISDBHSA-N 1 1 313.397 3.364 20 10 DGCDMO CC(C)(C)OCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000109761543 431177811 /nfs/dbraw/zinc/17/78/11/431177811.db2.gz RVQGVUDWUPTTJP-INIZCTEOSA-N 1 1 307.434 3.188 20 10 DGCDMO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2O)c(C)s1 ZINC000089126320 431860609 /nfs/dbraw/zinc/86/06/09/431860609.db2.gz WTSOHBIMMSXGAY-UHFFFAOYSA-N 1 1 305.399 3.181 20 10 DGCDMO COc1cccc(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)c1O ZINC000093478485 431915331 /nfs/dbraw/zinc/91/53/31/431915331.db2.gz OPGHFHXBRVQXMX-GOSISDBHSA-N 1 1 313.397 3.283 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c1 ZINC000093864282 431918933 /nfs/dbraw/zinc/91/89/33/431918933.db2.gz NWHXSLRPZAOTEY-INIZCTEOSA-N 1 1 315.417 3.034 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000091856780 431906720 /nfs/dbraw/zinc/90/67/20/431906720.db2.gz KLOPYCHTQYNVQC-ROUUACIJSA-N 1 1 320.502 3.239 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCCN(CC(F)(F)F)CC2)cc1C ZINC000151783909 432275238 /nfs/dbraw/zinc/27/52/38/432275238.db2.gz NQHWHHLQLIYUIO-UHFFFAOYSA-N 1 1 316.367 3.079 20 10 DGCDMO CCNC(=O)C[N@@H+](CC)Cc1cc(-c2ccccc2)ccc1O ZINC000271047345 432321504 /nfs/dbraw/zinc/32/15/04/432321504.db2.gz SDDIVCFDHORWST-UHFFFAOYSA-N 1 1 312.413 3.017 20 10 DGCDMO CN(C)C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000271177724 432346325 /nfs/dbraw/zinc/34/63/25/432346325.db2.gz KSSSFMUQZYDWEB-MRXNPFEDSA-N 1 1 310.441 3.443 20 10 DGCDMO CN(C)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000271177724 432346329 /nfs/dbraw/zinc/34/63/29/432346329.db2.gz KSSSFMUQZYDWEB-MRXNPFEDSA-N 1 1 310.441 3.443 20 10 DGCDMO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000174479280 432350874 /nfs/dbraw/zinc/35/08/74/432350874.db2.gz SUJXVYSHKLPBIK-KRWDZBQOSA-N 1 1 302.418 3.385 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CCO)C(C)(C)C)c1O ZINC000183673094 432314112 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C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc(Cl)ccc1O ZINC000184877603 432441451 /nfs/dbraw/zinc/44/14/51/432441451.db2.gz XZVZJPXSDJLOFQ-LLVKDONJSA-N 1 1 320.824 3.214 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c1O ZINC000184711883 432424845 /nfs/dbraw/zinc/42/48/45/432424845.db2.gz CUXQQIHPRKUCMR-RISCZKNCSA-N 1 1 313.825 3.037 20 10 DGCDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000185582774 432513994 /nfs/dbraw/zinc/51/39/94/432513994.db2.gz UPKYNXXVGJZPMS-CYBMUJFWSA-N 1 1 309.381 3.085 20 10 DGCDMO COc1cccc(C[NH2+]Cc2csc(C(C)(C)C)n2)c1O ZINC000263735259 432571537 /nfs/dbraw/zinc/57/15/37/432571537.db2.gz ZANIKXIRDKOZMV-UHFFFAOYSA-N 1 1 306.431 3.445 20 10 DGCDMO CCOC1CC(CC[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000276709339 432824333 /nfs/dbraw/zinc/82/43/33/432824333.db2.gz WMVJFIYLNWQFJH-DNOWBOINSA-N 1 1 321.417 3.035 20 10 DGCDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000276277839 432790865 /nfs/dbraw/zinc/79/08/65/432790865.db2.gz 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COc1cccc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)c1O ZINC000280544926 433079509 /nfs/dbraw/zinc/07/95/09/433079509.db2.gz DGHGLILZMAXPCV-KRWDZBQOSA-N 1 1 318.461 3.288 20 10 DGCDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000373228798 433138015 /nfs/dbraw/zinc/13/80/15/433138015.db2.gz NDMJGQZWMGCKMN-NSHDSACASA-N 1 1 323.799 3.298 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000291542614 433265576 /nfs/dbraw/zinc/26/55/76/433265576.db2.gz LKLVJNYKPSCJCE-DLBZAZTESA-N 1 1 305.418 3.180 20 10 DGCDMO COC[C@H]1CCCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000375096242 433361174 /nfs/dbraw/zinc/36/11/74/433361174.db2.gz DKJGWQIOAHIKLD-LBPRGKRZSA-N 1 1 313.825 3.303 20 10 DGCDMO COc1ccc(N2CCC(Nc3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000301178226 433444039 /nfs/dbraw/zinc/44/40/39/433444039.db2.gz MDSLALQGLYLXGA-UHFFFAOYSA-N 1 1 312.417 3.183 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc(C)n(C)n2)cc1 ZINC000282062853 433482049 /nfs/dbraw/zinc/48/20/49/433482049.db2.gz 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434619126 /nfs/dbraw/zinc/61/91/26/434619126.db2.gz QKNRSEOBZYGNBZ-OAHLLOKOSA-N 1 1 305.418 3.039 20 10 DGCDMO CC[C@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1O ZINC000527997624 435019045 /nfs/dbraw/zinc/01/90/45/435019045.db2.gz JBWYABWKRBQIJK-HOCLYGCPSA-N 1 1 314.360 3.135 20 10 DGCDMO C[C@@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccsc1 ZINC000293591028 335109861 /nfs/dbraw/zinc/10/98/61/335109861.db2.gz KKYPYGRQDWFISM-CQSZACIVSA-N 1 1 315.797 3.244 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cnccn2)cc1F ZINC000158706441 520910156 /nfs/dbraw/zinc/91/01/56/520910156.db2.gz TYCAEQFKDMCOLA-CYBMUJFWSA-N 1 1 302.397 3.313 20 10 DGCDMO CCOc1ccc(O)c(C[NH2+]Cc2csc([C@@H](C)OC)n2)c1 ZINC000267672949 521153773 /nfs/dbraw/zinc/15/37/73/521153773.db2.gz ZQKKMDOBGAXQAA-LLVKDONJSA-N 1 1 322.430 3.245 20 10 DGCDMO CCOc1cccc(C[NH2+]Cc2csc([C@H](C)OC)n2)c1O ZINC000267617847 521368399 /nfs/dbraw/zinc/36/83/99/521368399.db2.gz JYFTZXRFOYZXAR-NSHDSACASA-N 1 1 322.430 3.245 20 10 DGCDMO CN(C)c1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683333 522181984 /nfs/dbraw/zinc/18/19/84/522181984.db2.gz ZUBSSYLRSLPKBH-SFHVURJKSA-N 1 1 301.478 3.060 20 10 DGCDMO Cc1cccc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000180217973 524379861 /nfs/dbraw/zinc/37/98/61/524379861.db2.gz RMXIQKBXIQUVQQ-CYBMUJFWSA-N 1 1 308.422 3.046 20 10 DGCDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1O ZINC000156041257 524500919 /nfs/dbraw/zinc/50/09/19/524500919.db2.gz LWHWVBQDHMIGEF-CQSZACIVSA-N 1 1 315.413 3.472 20 10 DGCDMO CCC(CC)(CCO)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273586239 534917673 /nfs/dbraw/zinc/91/76/73/534917673.db2.gz NXUGWBHMOQKFGG-ZDUSSCGKSA-N 1 1 323.433 3.018 20 10 DGCDMO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cc(C)ccc1O)C2 ZINC000179531802 527085849 /nfs/dbraw/zinc/08/58/49/527085849.db2.gz VJRCWEUFBWRHOP-UHFFFAOYSA-N 1 1 310.397 3.217 20 10 DGCDMO CC[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(F)cc1O ZINC000286136386 535802845 /nfs/dbraw/zinc/80/28/45/535802845.db2.gz OSJHWHUFNLNCAK-OAHLLOKOSA-N 1 1 322.424 3.221 20 10 DGCDMO CC[C@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1ccc(F)cc1O ZINC000286272595 535917928 /nfs/dbraw/zinc/91/79/28/535917928.db2.gz VKDNANPSKDEJNG-INIZCTEOSA-N 1 1 316.376 3.132 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001658908710 1196317994 /nfs/dbraw/zinc/31/79/94/1196317994.db2.gz LZVMUTZGHZEYMP-CYBMUJFWSA-N 1 1 321.364 3.189 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000730807119 574536498 /nfs/dbraw/zinc/53/64/98/574536498.db2.gz NJLQLOSPNIQXIK-INIZCTEOSA-N 1 1 311.429 3.001 20 10 DGCDMO Oc1ccc2ccncc2c1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000730807119 574536500 /nfs/dbraw/zinc/53/65/00/574536500.db2.gz NJLQLOSPNIQXIK-INIZCTEOSA-N 1 1 311.429 3.001 20 10 DGCDMO CCOCc1cc(CN[C@H](C)C[NH+]2CCCCC2)ccc1OC ZINC000731449109 574549617 /nfs/dbraw/zinc/54/96/17/574549617.db2.gz PCYWJAQZOISCGX-MRXNPFEDSA-N 1 1 320.477 3.196 20 10 DGCDMO C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000731843867 574560332 /nfs/dbraw/zinc/56/03/32/574560332.db2.gz ZTEULFMVCHYVQR-HNNXBMFYSA-N 1 1 324.424 3.192 20 10 DGCDMO Oc1ccccc1C[N@@H+](Cc1cn2cccnc2n1)C1CCCC1 ZINC000732204986 574568008 /nfs/dbraw/zinc/56/80/08/574568008.db2.gz WTWXVWFTAACZQQ-UHFFFAOYSA-N 1 1 322.412 3.380 20 10 DGCDMO c1cc(N2CCCC2)nc(NCc2ccc(N3CCCC3)cc2)[nH+]1 ZINC000733187266 574605785 /nfs/dbraw/zinc/60/57/85/574605785.db2.gz OMVFLKHYZPQPBX-UHFFFAOYSA-N 1 1 323.444 3.289 20 10 DGCDMO CN(C)c1ccc(CNC[C@@H](C2CCCCC2)[NH+](C)C)cc1F ZINC000733324676 574615812 /nfs/dbraw/zinc/61/58/12/574615812.db2.gz SAECTCGZLGGWMY-IBGZPJMESA-N 1 1 321.484 3.492 20 10 DGCDMO Cc1ccc2nc(C[NH2+]Cc3c(O)cccc3Cl)cn2c1 ZINC000733326954 574616372 /nfs/dbraw/zinc/61/63/72/574616372.db2.gz IWEZDKSJEAXRNJ-UHFFFAOYSA-N 1 1 301.777 3.292 20 10 DGCDMO CCN(CC)C[C@H](C)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000740004541 574917852 /nfs/dbraw/zinc/91/78/52/574917852.db2.gz PIQFJUAICHJFBN-HNNXBMFYSA-N 1 1 309.473 3.492 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCOC[C@@H]1CCCO1)C1CCCC1 ZINC000741248692 574954169 /nfs/dbraw/zinc/95/41/69/574954169.db2.gz BDSRIBQNZFBXAM-SFHVURJKSA-N 1 1 319.445 3.332 20 10 DGCDMO CCC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC(C)C ZINC000746650631 575466107 /nfs/dbraw/zinc/46/61/07/575466107.db2.gz DGZIOJBLMYZQMN-UHFFFAOYSA-N 1 1 319.493 3.079 20 10 DGCDMO COC(=O)/C(C)=C\C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000748818730 575609533 /nfs/dbraw/zinc/60/95/33/575609533.db2.gz XNZGUUOPXBSLIK-ZROIWOOFSA-N 1 1 315.369 3.107 20 10 DGCDMO COC(=O)/C(C)=C\C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000748818730 575609534 /nfs/dbraw/zinc/60/95/34/575609534.db2.gz XNZGUUOPXBSLIK-ZROIWOOFSA-N 1 1 315.369 3.107 20 10 DGCDMO COC(=O)/C(C)=C/C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000749115919 575628369 /nfs/dbraw/zinc/62/83/69/575628369.db2.gz MAOOXNDIEXIBSU-RVDMUPIBSA-N 1 1 304.434 3.082 20 10 DGCDMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3ccccn3)CC2)cc1 ZINC000750039558 575699272 /nfs/dbraw/zinc/69/92/72/575699272.db2.gz PVXCKMZECQMUSW-INIZCTEOSA-N 1 1 311.429 3.364 20 10 DGCDMO CCC[N@@H+](Cc1occc1C(=O)OC)Cc1ccccc1O ZINC000750874711 575757097 /nfs/dbraw/zinc/75/70/97/575757097.db2.gz INIYNHBHFMPCHS-UHFFFAOYSA-N 1 1 303.358 3.184 20 10 DGCDMO CCC[N@@H+](CC(=O)N(C)c1ccccc1)Cc1ccccc1O ZINC000750874694 575757111 /nfs/dbraw/zinc/75/71/11/575757111.db2.gz HBGIVDKQJLVIKM-UHFFFAOYSA-N 1 1 312.413 3.267 20 10 DGCDMO COc1cccc(O)c1C[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000726797391 576042331 /nfs/dbraw/zinc/04/23/31/576042331.db2.gz ALPLGMZYBUZNJD-UHFFFAOYSA-N 1 1 310.353 3.346 20 10 DGCDMO CC(C)[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)N1CCC(C)CC1 ZINC000917394709 620667041 /nfs/dbraw/zinc/66/70/41/620667041.db2.gz PGOCVPSQBAGRLA-IBGZPJMESA-N 1 1 316.489 3.468 20 10 DGCDMO C[N@@H+](Cc1cn2cc(Cl)ccc2n1)Cc1ccccc1O ZINC000111236088 620685289 /nfs/dbraw/zinc/68/52/89/620685289.db2.gz XQGCJZMIUDOFSJ-UHFFFAOYSA-N 1 1 301.777 3.325 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853586035 620713067 /nfs/dbraw/zinc/71/30/67/620713067.db2.gz LRHYDHAUIPULFS-ZBFHGGJFSA-N 1 1 303.446 3.466 20 10 DGCDMO COc1cc(C[N@@H+](C)CC2=CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000853561738 620709477 /nfs/dbraw/zinc/70/94/77/620709477.db2.gz PJSLHTSZRRHVPA-UHFFFAOYSA-N 1 1 319.445 3.477 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853585924 620712924 /nfs/dbraw/zinc/71/29/24/620712924.db2.gz LJTKOXVMFMVIIE-HIFRSBDPSA-N 1 1 319.445 3.167 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1O ZINC000853624041 620717214 /nfs/dbraw/zinc/71/72/14/620717214.db2.gz LLAUNIJWPPRICQ-KDURUIRLSA-N 1 1 317.429 3.102 20 10 DGCDMO CC[N@@H+](Cc1cccs1)Cc1ccc(OC)c(OC)c1O ZINC000891511356 617820721 /nfs/dbraw/zinc/82/07/21/617820721.db2.gz URBXRWPISAPPJS-UHFFFAOYSA-N 1 1 307.415 3.493 20 10 DGCDMO COc1ccc(C[N@H+]2CCc3c(F)cccc3C2)c(O)c1OC ZINC000892003512 617943186 /nfs/dbraw/zinc/94/31/86/617943186.db2.gz BYTDTZHOEKOVCA-UHFFFAOYSA-N 1 1 317.360 3.107 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)cc1 ZINC000854058189 620765704 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318.367 3.296 20 10 DGCDMO CCC[N@@H+](CC(=O)c1cc(C)n(C)c1C)Cc1ccccc1O ZINC000754642654 621522015 /nfs/dbraw/zinc/52/20/15/621522015.db2.gz XOVNVONVPJVULO-UHFFFAOYSA-N 1 1 314.429 3.442 20 10 DGCDMO COC1CCC([N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862245253 621566717 /nfs/dbraw/zinc/56/67/17/621566717.db2.gz LKGQPBMDZDUKTJ-UHFFFAOYSA-N 1 1 312.404 3.420 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+]2CCOCC3(CCC3)C2)cc1F ZINC000862326229 621574290 /nfs/dbraw/zinc/57/42/90/621574290.db2.gz LDXOJORHGWAKOF-UHFFFAOYSA-N 1 1 310.388 3.033 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCOCC3(CCC3)C2)cc1F ZINC000862326229 621574293 /nfs/dbraw/zinc/57/42/93/621574293.db2.gz LDXOJORHGWAKOF-UHFFFAOYSA-N 1 1 310.388 3.033 20 10 DGCDMO COC[C@@H]1CCCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862333943 621575011 /nfs/dbraw/zinc/57/50/11/621575011.db2.gz PZQUTIURTXVINH-CYBMUJFWSA-N 1 1 312.404 3.279 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1F ZINC000862360259 621578290 /nfs/dbraw/zinc/57/82/90/621578290.db2.gz YWSWAUDSBQZJKU-RDJZCZTQSA-N 1 1 310.388 3.174 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1F ZINC000862360260 621578387 /nfs/dbraw/zinc/57/83/87/621578387.db2.gz YWSWAUDSBQZJKU-WBVHZDCISA-N 1 1 310.388 3.174 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1F ZINC000862384250 621582522 /nfs/dbraw/zinc/58/25/22/621582522.db2.gz SLNUBBDOWQUKMZ-XCRHUMRWSA-N 1 1 324.415 3.156 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C[C@H]1C ZINC000862386627 621582806 /nfs/dbraw/zinc/58/28/06/621582806.db2.gz WGROTKIENJMQOO-YGRLFVJLSA-N 1 1 314.223 3.012 20 10 DGCDMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@]1(C)CCCS1 ZINC000862397953 621584410 /nfs/dbraw/zinc/58/44/10/621584410.db2.gz RLTOYKOFQZGSCA-KRWDZBQOSA-N 1 1 323.458 3.043 20 10 DGCDMO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@]1(C)CCCS1 ZINC000862397953 621584411 /nfs/dbraw/zinc/58/44/11/621584411.db2.gz RLTOYKOFQZGSCA-KRWDZBQOSA-N 1 1 323.458 3.043 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cnc(C3CC3)o2)cc1 ZINC000862403915 621585757 /nfs/dbraw/zinc/58/57/57/621585757.db2.gz XRZXIGCDDIZYMF-UHFFFAOYSA-N 1 1 315.417 3.129 20 10 DGCDMO Oc1cccc(Br)c1Cn1c[nH+]c2c1CCCC2 ZINC000862431204 621588671 /nfs/dbraw/zinc/58/86/71/621588671.db2.gz FYNQECBIPIXZFY-UHFFFAOYSA-N 1 1 307.191 3.278 20 10 DGCDMO C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000862483042 621594219 /nfs/dbraw/zinc/59/42/19/621594219.db2.gz NWPRVKASDNXRRB-NSHDSACASA-N 1 1 300.805 3.006 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@H]1C(=O)OC(C)(C)C ZINC000862485140 621594964 /nfs/dbraw/zinc/59/49/64/621594964.db2.gz HSBDAWPSZCKOBZ-SWLSCSKDSA-N 1 1 323.408 3.331 20 10 DGCDMO FCC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000862529379 621596967 /nfs/dbraw/zinc/59/69/67/621596967.db2.gz CQJYQUPXBADMHD-SFHVURJKSA-N 1 1 306.425 3.237 20 10 DGCDMO FCC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000862529379 621596969 /nfs/dbraw/zinc/59/69/69/621596969.db2.gz CQJYQUPXBADMHD-SFHVURJKSA-N 1 1 306.425 3.237 20 10 DGCDMO Cc1cccc(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000862541532 621599189 /nfs/dbraw/zinc/59/91/89/621599189.db2.gz RWSSTBYSFUMUCC-ZDUSSCGKSA-N 1 1 308.422 3.046 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+]2CCOc3cc(F)ccc3C2)c1 ZINC000862550282 621600884 /nfs/dbraw/zinc/60/08/84/621600884.db2.gz KVBWNICRBXAMHF-UHFFFAOYSA-N 1 1 317.360 3.325 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCOc3cc(F)ccc3C2)c1 ZINC000862550282 621600885 /nfs/dbraw/zinc/60/08/85/621600885.db2.gz KVBWNICRBXAMHF-UHFFFAOYSA-N 1 1 317.360 3.325 20 10 DGCDMO COCCOc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000756432882 621638407 /nfs/dbraw/zinc/63/84/07/621638407.db2.gz SNKDYDWGLYPRBT-CYBMUJFWSA-N 1 1 319.376 3.407 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccc(F)cc1O ZINC000756458184 621639471 /nfs/dbraw/zinc/63/94/71/621639471.db2.gz UGCVLBJGTCJWAK-CHWSQXEVSA-N 1 1 301.361 3.433 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nc(C)cs2)c1 ZINC000756533757 621645601 /nfs/dbraw/zinc/64/56/01/621645601.db2.gz IBQFUOSITGUTAB-GHMZBOCLSA-N 1 1 320.414 3.356 20 10 DGCDMO Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756534214 621645879 /nfs/dbraw/zinc/64/58/79/621645879.db2.gz LFNQTEYWQHQTOV-WDEREUQCSA-N 1 1 309.360 3.162 20 10 DGCDMO C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(F)cc1O ZINC000756539536 621646032 /nfs/dbraw/zinc/64/60/32/621646032.db2.gz PVQNJOFJZUOAQW-VIFPVBQESA-N 1 1 317.286 3.141 20 10 DGCDMO CC[C@H](COC)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756596160 621651632 /nfs/dbraw/zinc/65/16/32/621651632.db2.gz YGKXGFZZMXOGMQ-DTWKUNHWSA-N 1 1 320.202 3.369 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2sc(C)nc2C)c1 ZINC000756615062 621652717 /nfs/dbraw/zinc/65/27/17/621652717.db2.gz VKWBRPJRQVMNNT-VIFPVBQESA-N 1 1 320.414 3.103 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2c(C)cccc2F)c1 ZINC000756612472 621652769 /nfs/dbraw/zinc/65/27/69/621652769.db2.gz XDXCBNQLJDQCGU-LBPRGKRZSA-N 1 1 317.360 3.477 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2CCC(OC)CC2)c1 ZINC000756640900 621654972 /nfs/dbraw/zinc/65/49/72/621654972.db2.gz DMOUCWKWRKSQSA-OPFPJEHXSA-N 1 1 321.417 3.035 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCSC(C)(C)C)c1 ZINC000756681098 621658345 /nfs/dbraw/zinc/65/83/45/621658345.db2.gz FXYOCRIIWFCFDJ-NSHDSACASA-N 1 1 311.447 3.361 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCC(F)(F)C2)c1 ZINC000756764355 621662860 /nfs/dbraw/zinc/66/28/60/621662860.db2.gz HATXSAUPVMBEHE-PWSUYJOCSA-N 1 1 313.344 3.407 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CCC(F)(F)CC2)c1 ZINC000756783697 621664325 /nfs/dbraw/zinc/66/43/25/621664325.db2.gz HMYFJHGZJUWGBV-SNVBAGLBSA-N 1 1 313.344 3.407 20 10 DGCDMO COc1cc(C[N@@H+]2CCOc3cc(F)ccc3C2)c(O)cc1C ZINC000863339195 621664585 /nfs/dbraw/zinc/66/45/85/621664585.db2.gz CNKDLRKCTUZCDH-UHFFFAOYSA-N 1 1 317.360 3.243 20 10 DGCDMO COc1cc(C[N@H+]2CCOc3cc(F)ccc3C2)c(O)cc1C ZINC000863339195 621664586 /nfs/dbraw/zinc/66/45/86/621664586.db2.gz CNKDLRKCTUZCDH-UHFFFAOYSA-N 1 1 317.360 3.243 20 10 DGCDMO COC1([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)CCC1 ZINC000839658076 621704738 /nfs/dbraw/zinc/70/47/38/621704738.db2.gz ASNPTKGMJIAGIQ-LLVKDONJSA-N 1 1 311.809 3.295 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000757630482 621729673 /nfs/dbraw/zinc/72/96/73/621729673.db2.gz KRKAZCCBFXREQZ-XHDPSFHLSA-N 1 1 321.417 3.176 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1O ZINC000761203200 621993574 /nfs/dbraw/zinc/99/35/74/621993574.db2.gz KWYNMPPILHLFIQ-RISCZKNCSA-N 1 1 311.809 3.055 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000761226439 621995671 /nfs/dbraw/zinc/99/56/71/621995671.db2.gz QBHGMIHNSILEHK-MRXNPFEDSA-N 1 1 302.462 3.391 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@]2(CO)CC(C)C)c(O)c1 ZINC000789593770 625532039 /nfs/dbraw/zinc/53/20/39/625532039.db2.gz VTVDUVXZFDVKIS-GOSISDBHSA-N 1 1 307.434 3.164 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2nn(C)cc2C(F)F)cc1 ZINC000865810481 621999318 /nfs/dbraw/zinc/99/93/18/621999318.db2.gz OKDQFCJOCYTXOV-UHFFFAOYSA-N 1 1 322.403 3.494 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2ccc(C)cn2)c1O ZINC000789593740 625532301 /nfs/dbraw/zinc/53/23/01/625532301.db2.gz AGLGFZBZWZKZJB-UHFFFAOYSA-N 1 1 306.793 3.390 20 10 DGCDMO CC1(C)CCCN(c2cc[nH+]c(N3Cc4cccc(O)c4C3)n2)C1 ZINC000866116838 622048188 /nfs/dbraw/zinc/04/81/88/622048188.db2.gz CCLOJDJBMNYJJH-UHFFFAOYSA-N 1 1 324.428 3.329 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000016075999 622122390 /nfs/dbraw/zinc/12/23/90/622122390.db2.gz UDKJLTDJDPJWGG-BETUJISGSA-N 1 1 301.386 3.163 20 10 DGCDMO CC[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000764967363 622236620 /nfs/dbraw/zinc/23/66/20/622236620.db2.gz UFAAJAPZCXMRRW-OTWHNJEPSA-N 1 1 301.478 3.420 20 10 DGCDMO CC[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000764967363 622236622 /nfs/dbraw/zinc/23/66/22/622236622.db2.gz UFAAJAPZCXMRRW-OTWHNJEPSA-N 1 1 301.478 3.420 20 10 DGCDMO CC[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000764967361 622236864 /nfs/dbraw/zinc/23/68/64/622236864.db2.gz UFAAJAPZCXMRRW-GBESFXJTSA-N 1 1 301.478 3.420 20 10 DGCDMO CC[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000764967361 622236868 /nfs/dbraw/zinc/23/68/68/622236868.db2.gz UFAAJAPZCXMRRW-GBESFXJTSA-N 1 1 301.478 3.420 20 10 DGCDMO CCN(C)c1ccc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000764966015 622236892 /nfs/dbraw/zinc/23/68/92/622236892.db2.gz WXRFIIRMTLKWMR-ZYSHUDEJSA-N 1 1 301.478 3.420 20 10 DGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@H]23)cc1 ZINC000764966015 622236894 /nfs/dbraw/zinc/23/68/94/622236894.db2.gz WXRFIIRMTLKWMR-ZYSHUDEJSA-N 1 1 301.478 3.420 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1O ZINC000766116893 622307368 /nfs/dbraw/zinc/30/73/68/622307368.db2.gz JAXFMSZDIXBPDO-NSHDSACASA-N 1 1 303.324 3.484 20 10 DGCDMO CCOC(=O)CC[N@@H+](Cc1cc2c(cc1O)CCCC2)C1CC1 ZINC000768441322 622456204 /nfs/dbraw/zinc/45/62/04/622456204.db2.gz YJTGURYHQVWLAB-UHFFFAOYSA-N 1 1 317.429 3.189 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+](Cc1cccs1)C1CC1)[C@H](O)CO2 ZINC000768441232 622456227 /nfs/dbraw/zinc/45/62/27/622456227.db2.gz IMLUWCGVJIRMLC-MRXNPFEDSA-N 1 1 317.410 3.044 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cccs1)[C@@H](O)CO2 ZINC000768442102 622456340 /nfs/dbraw/zinc/45/63/40/622456340.db2.gz OUXNDXDYGKQGSR-ZFWWWQNUSA-N 1 1 317.410 3.217 20 10 DGCDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768463351 622458108 /nfs/dbraw/zinc/45/81/08/622458108.db2.gz HJJUMHVQEPPADC-GUYCJALGSA-N 1 1 305.418 3.076 20 10 DGCDMO COc1cc(C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c(O)cc1C ZINC000768464896 622458263 /nfs/dbraw/zinc/45/82/63/622458263.db2.gz BYYIQSBONMXTDO-WMZOPIPTSA-N 1 1 307.434 3.345 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c(O)cc1C ZINC000768464173 622458307 /nfs/dbraw/zinc/45/83/07/622458307.db2.gz OAGUOJVDMFJPRA-SFHVURJKSA-N 1 1 305.418 3.102 20 10 DGCDMO CC[NH+](CC)C[C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000768466746 622458661 /nfs/dbraw/zinc/45/86/61/622458661.db2.gz WAGCSHAJXUTMCU-INIZCTEOSA-N 1 1 316.489 3.435 20 10 DGCDMO CCN(CC)[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768466164 622458733 /nfs/dbraw/zinc/45/87/33/622458733.db2.gz NFANFDQTZVUFBO-SFHVURJKSA-N 1 1 302.462 3.187 20 10 DGCDMO CCN(CC)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768466164 622458735 /nfs/dbraw/zinc/45/87/35/622458735.db2.gz NFANFDQTZVUFBO-SFHVURJKSA-N 1 1 302.462 3.187 20 10 DGCDMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000768530578 622462550 /nfs/dbraw/zinc/46/25/50/622462550.db2.gz LYHRKHUSGATHEM-MRXNPFEDSA-N 1 1 311.381 3.458 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCc3ccc(O)cc3C2)cc1F ZINC000768869842 622481944 /nfs/dbraw/zinc/48/19/44/622481944.db2.gz ZSFUKRJEPXQCPC-UHFFFAOYSA-N 1 1 300.377 3.156 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCc3ccc(O)cc3C2)cc1F ZINC000768869842 622481945 /nfs/dbraw/zinc/48/19/45/622481945.db2.gz ZSFUKRJEPXQCPC-UHFFFAOYSA-N 1 1 300.377 3.156 20 10 DGCDMO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000768950547 622487545 /nfs/dbraw/zinc/48/75/45/622487545.db2.gz AAUGBAAMSVSQTM-INIZCTEOSA-N 1 1 301.478 3.107 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000769044432 622494247 /nfs/dbraw/zinc/49/42/47/622494247.db2.gz HGVCAEYAVOVZOX-HNNXBMFYSA-N 1 1 317.385 3.175 20 10 DGCDMO COc1cccc(O)c1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000769044432 622494248 /nfs/dbraw/zinc/49/42/48/622494248.db2.gz HGVCAEYAVOVZOX-HNNXBMFYSA-N 1 1 317.385 3.175 20 10 DGCDMO Oc1ccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)cc1 ZINC000769106877 622499051 /nfs/dbraw/zinc/49/90/51/622499051.db2.gz PZIJXFAHGJRIDZ-OAHLLOKOSA-N 1 1 313.353 3.164 20 10 DGCDMO CCOC(=O)CC[N@H+](Cc1ccc(N(C)C)c(F)c1)CC1CC1 ZINC000769122137 622500711 /nfs/dbraw/zinc/50/07/11/622500711.db2.gz NBXSGXUBBZIIKE-UHFFFAOYSA-N 1 1 322.424 3.057 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000769160526 622503510 /nfs/dbraw/zinc/50/35/10/622503510.db2.gz 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622529409 /nfs/dbraw/zinc/52/94/09/622529409.db2.gz WVMFHDOZGIQROK-GOSISDBHSA-N 1 1 324.424 3.328 20 10 DGCDMO COc1cc(Br)cc(C[N@H+]2C[C@H](C)C[C@H]2C)c1O ZINC000769471423 622531037 /nfs/dbraw/zinc/53/10/37/622531037.db2.gz UHPUGHQVPKIPNE-NXEZZACHSA-N 1 1 314.223 3.394 20 10 DGCDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC000769488802 622533545 /nfs/dbraw/zinc/53/35/45/622533545.db2.gz ZOUALUIBYYBDRT-WMLDXEAASA-N 1 1 307.457 3.054 20 10 DGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC000769488802 622533547 /nfs/dbraw/zinc/53/35/47/622533547.db2.gz ZOUALUIBYYBDRT-WMLDXEAASA-N 1 1 307.457 3.054 20 10 DGCDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC000769488802 622533550 /nfs/dbraw/zinc/53/35/50/622533550.db2.gz ZOUALUIBYYBDRT-WMLDXEAASA-N 1 1 307.457 3.054 20 10 DGCDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC000769488802 622533551 /nfs/dbraw/zinc/53/35/51/622533551.db2.gz ZOUALUIBYYBDRT-WMLDXEAASA-N 1 1 307.457 3.054 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Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000877640083 623974260 /nfs/dbraw/zinc/97/42/60/623974260.db2.gz ULTHGZAXLRVKPY-VXGBXAGGSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1ccc(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c(O)c1 ZINC000877715438 624003178 /nfs/dbraw/zinc/00/31/78/624003178.db2.gz YVVSVXHTYWMQHO-QGZVFWFLSA-N 1 1 309.413 3.080 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877824307 624056243 /nfs/dbraw/zinc/05/62/43/624056243.db2.gz QZQWWUQRXACZOY-WFASDCNBSA-N 1 1 316.367 3.294 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCOCC2(CC2)C1 ZINC000783594734 624372657 /nfs/dbraw/zinc/37/26/57/624372657.db2.gz IVQJURCBGDVBMO-UHFFFAOYSA-N 1 1 300.446 3.289 20 10 DGCDMO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000879648201 624621131 /nfs/dbraw/zinc/62/11/31/624621131.db2.gz DPKAHNZQRGQHFZ-OLZOCXBDSA-N 1 1 319.405 3.360 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)cc1 ZINC000880053997 624769190 /nfs/dbraw/zinc/76/91/90/624769190.db2.gz VXRNZLMTWRYLAL-HNNXBMFYSA-N 1 1 316.367 3.296 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cscc2C)c1 ZINC000786925481 624965381 /nfs/dbraw/zinc/96/53/81/624965381.db2.gz HYHBTHMLWDKPNZ-NSHDSACASA-N 1 1 305.399 3.400 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@]23CCCO3)c1O ZINC000880509807 624969975 /nfs/dbraw/zinc/96/99/75/624969975.db2.gz XUVNJWOCKCOARX-WBVHZDCISA-N 1 1 323.820 3.440 20 10 DGCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1C ZINC000787421490 625008598 /nfs/dbraw/zinc/00/85/98/625008598.db2.gz SGNGOPDWTUHEML-CRAIPNDOSA-N 1 1 316.445 3.060 20 10 DGCDMO C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000788258905 625107993 /nfs/dbraw/zinc/10/79/93/625107993.db2.gz ZDXVRHWHTMLJTR-SECBINFHSA-N 1 1 314.216 3.326 20 10 DGCDMO CCC(=O)N1CCC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000128728700 625177076 /nfs/dbraw/zinc/17/70/76/625177076.db2.gz JASIHCCGXSJMBC-UHFFFAOYSA-N 1 1 318.461 3.268 20 10 DGCDMO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790966287 625724123 /nfs/dbraw/zinc/72/41/23/625724123.db2.gz HYBBFXVZASLFKH-ZDUSSCGKSA-N 1 1 321.783 3.450 20 10 DGCDMO CC1(C)[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@H]2CCCO[C@@H]21 ZINC000790973481 625726564 /nfs/dbraw/zinc/72/65/64/625726564.db2.gz PEYKDIDUACQPFB-ZWZTZDBGSA-N 1 1 313.800 3.478 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000790986885 625730815 /nfs/dbraw/zinc/73/08/15/625730815.db2.gz YUBOVJFROHFIGD-CYBMUJFWSA-N 1 1 323.795 3.268 20 10 DGCDMO C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000882892049 625848765 /nfs/dbraw/zinc/84/87/65/625848765.db2.gz LOMGWNCDFOTICL-CYBMUJFWSA-N 1 1 312.404 3.272 20 10 DGCDMO CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1ccc(F)cc1 ZINC000882904506 625852021 /nfs/dbraw/zinc/85/20/21/625852021.db2.gz AUBVZFYMNWNREO-INIZCTEOSA-N 1 1 324.346 3.202 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000882995221 625890303 /nfs/dbraw/zinc/89/03/03/625890303.db2.gz MXNMWUUQLSLDEA-MRXNPFEDSA-N 1 1 305.324 3.074 20 10 DGCDMO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1c(O)ccc(Cl)c1F ZINC000792165943 625917062 /nfs/dbraw/zinc/91/70/62/625917062.db2.gz MXUNGWPLUPKLGE-LBPRGKRZSA-N 1 1 314.832 3.491 20 10 DGCDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1c(O)ccc(Cl)c1F ZINC000792165943 625917064 /nfs/dbraw/zinc/91/70/64/625917064.db2.gz MXUNGWPLUPKLGE-LBPRGKRZSA-N 1 1 314.832 3.491 20 10 DGCDMO CCOc1cccc(C[N@@H+](CCOC)[C@@H]2CC[C@H](C)C2)c1O ZINC000792192314 625922970 /nfs/dbraw/zinc/92/29/70/625922970.db2.gz HQBYSARVRFZAAN-GOEBONIOSA-N 1 1 307.434 3.428 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3cc(C)ccn3)CC2)cc1 ZINC000792209379 625927121 /nfs/dbraw/zinc/92/71/21/625927121.db2.gz UNUUUISFWAQZMB-UHFFFAOYSA-N 1 1 311.429 3.111 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000883135850 625939229 /nfs/dbraw/zinc/93/92/29/625939229.db2.gz OILXJUHBAKDXDZ-GDBMZVCRSA-N 1 1 320.339 3.075 20 10 DGCDMO Cc1ccc(C(C)(C)C[NH2+]Cc2cc(F)cc(F)c2O)nc1 ZINC000883189062 625962635 /nfs/dbraw/zinc/96/26/35/625962635.db2.gz XLOGNWXNZOFSLJ-UHFFFAOYSA-N 1 1 306.356 3.441 20 10 DGCDMO CC[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(F)cc1O ZINC000796692582 626074233 /nfs/dbraw/zinc/07/42/33/626074233.db2.gz GGOJVVIXVQBWKP-ZDUSSCGKSA-N 1 1 322.346 3.456 20 10 DGCDMO CC[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(F)cc1O ZINC000796781036 626081850 /nfs/dbraw/zinc/08/18/50/626081850.db2.gz UMSNEMUVUNFOBU-BBRMVZONSA-N 1 1 311.397 3.015 20 10 DGCDMO CC[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(F)cc1O ZINC000796790819 626083242 /nfs/dbraw/zinc/08/32/42/626083242.db2.gz WABREGQLBSQYHV-GOEBONIOSA-N 1 1 312.454 3.009 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(F)cc1O ZINC000796795962 626084139 /nfs/dbraw/zinc/08/41/39/626084139.db2.gz FSOPGZFDZZFOCR-MLGOLLRUSA-N 1 1 307.365 3.016 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(F)cc1O ZINC000796795960 626084280 /nfs/dbraw/zinc/08/42/80/626084280.db2.gz FSOPGZFDZZFOCR-LRDDRELGSA-N 1 1 307.365 3.016 20 10 DGCDMO CC[C@@H]([NH2+][C@@H](CO)c1ccccc1OC)c1ccc(F)cc1O ZINC000796818458 626085836 /nfs/dbraw/zinc/08/58/36/626085836.db2.gz UTHJHTZNBBGNRD-CVEARBPZSA-N 1 1 319.376 3.314 20 10 DGCDMO CC[C@@H]([NH2+]CCNc1cccc(C)n1)c1ccc(F)cc1O ZINC000796837557 626088599 /nfs/dbraw/zinc/08/85/99/626088599.db2.gz DIONQGSMUDDYGX-OAHLLOKOSA-N 1 1 303.381 3.388 20 10 DGCDMO CC[C@H]([NH2+][C@H](CO)Cc1cccc(C)c1)c1ccc(F)cc1O ZINC000796959508 626100039 /nfs/dbraw/zinc/10/00/39/626100039.db2.gz QPXCLMKEDKORHZ-WMZOPIPTSA-N 1 1 317.404 3.484 20 10 DGCDMO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000799151091 626276330 /nfs/dbraw/zinc/27/63/30/626276330.db2.gz TVPONLHHTHVPOK-SFHVURJKSA-N 1 1 311.429 3.342 20 10 DGCDMO CC(C)OC[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000800525633 626366565 /nfs/dbraw/zinc/36/65/65/626366565.db2.gz VZEXOWAWQIEGDO-JTQLQIEISA-N 1 1 302.212 3.058 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)C[C@](C)(O)C(F)(F)F ZINC000801596206 626411354 /nfs/dbraw/zinc/41/13/54/626411354.db2.gz STCTWTBMWYZNGM-AWEZNQCLSA-N 1 1 305.340 3.308 20 10 DGCDMO CCCC[N@@H+](CC(=O)N1CCC[C@@H](C)C1)Cc1ccccc1O ZINC000801596077 626411389 /nfs/dbraw/zinc/41/13/89/626411389.db2.gz NYRSEXYPWAUDLU-MRXNPFEDSA-N 1 1 318.461 3.253 20 10 DGCDMO CCCC[N@@H+](CCC(=O)N1CCC[C@H]1C)Cc1ccccc1O ZINC000801598381 626411897 /nfs/dbraw/zinc/41/18/97/626411897.db2.gz YMGAEVVRTFLLSC-MRXNPFEDSA-N 1 1 318.461 3.395 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](OC(F)F)C2)cc1F ZINC000802659264 626565921 /nfs/dbraw/zinc/56/59/21/626565921.db2.gz YTNUWGLOQGSEKJ-ZDUSSCGKSA-N 1 1 316.367 3.485 20 10 DGCDMO COc1ccc2c(c1)OCC[N@H+](Cc1cc(C)c(C)cc1O)C2 ZINC000802659466 626565950 /nfs/dbraw/zinc/56/59/50/626565950.db2.gz PAWMOGCQYDZBNA-UHFFFAOYSA-N 1 1 313.397 3.412 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000802747941 626569292 /nfs/dbraw/zinc/56/92/92/626569292.db2.gz VNGMAAMKTINQPV-LBPRGKRZSA-N 1 1 315.360 3.209 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CCc4ccccc43)cc2)CC1 ZINC000883288759 626637597 /nfs/dbraw/zinc/63/75/97/626637597.db2.gz QAIHHVZLAPKLEB-NRFANRHFSA-N 1 1 321.468 3.216 20 10 DGCDMO CC(C)[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCCO1 ZINC000840093999 626756213 /nfs/dbraw/zinc/75/62/13/626756213.db2.gz DXEGJTCBHXERDV-GOSISDBHSA-N 1 1 300.402 3.187 20 10 DGCDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c(O)cc1C ZINC000840113467 626767717 /nfs/dbraw/zinc/76/77/17/626767717.db2.gz BKCWSNAANRMTDV-GVDBMIGSSA-N 1 1 319.445 3.225 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)CCC2 ZINC000840117935 626770306 /nfs/dbraw/zinc/77/03/06/626770306.db2.gz CKBSOATVDBTAGZ-RCCFBDPRSA-N 1 1 301.430 3.006 20 10 DGCDMO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)[nH]1 ZINC000808710219 626852351 /nfs/dbraw/zinc/85/23/51/626852351.db2.gz MWDCCOLTWNPQCY-VHSXEESVSA-N 1 1 308.813 3.446 20 10 DGCDMO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)[nH]1 ZINC000808710218 626852567 /nfs/dbraw/zinc/85/25/67/626852567.db2.gz MWDCCOLTWNPQCY-UWVGGRQHSA-N 1 1 308.813 3.446 20 10 DGCDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840151508 626871998 /nfs/dbraw/zinc/87/19/98/626871998.db2.gz GTKWPPDHYSMNMM-MRXNPFEDSA-N 1 1 320.477 3.310 20 10 DGCDMO c1ccc(CN2CCc3cc(C[NH+]4CCOCC4)ccc32)cc1 ZINC000809538831 626917789 /nfs/dbraw/zinc/91/77/89/626917789.db2.gz JUZAPDXDFPSPMY-UHFFFAOYSA-N 1 1 308.425 3.082 20 10 DGCDMO OC[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809551934 626919195 /nfs/dbraw/zinc/91/91/95/626919195.db2.gz KVOUNWRUIAGYBI-FQEVSTJZSA-N 1 1 322.452 3.206 20 10 DGCDMO CC[N@@H+](CCCO)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809581769 626922377 /nfs/dbraw/zinc/92/23/77/626922377.db2.gz OOPFYGVGFJKOTI-UHFFFAOYSA-N 1 1 324.468 3.454 20 10 DGCDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1O ZINC000809642668 626931836 /nfs/dbraw/zinc/93/18/36/626931836.db2.gz JBRLHKGFHLSROL-KRWDZBQOSA-N 1 1 315.413 3.174 20 10 DGCDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809651834 626932607 /nfs/dbraw/zinc/93/26/07/626932607.db2.gz BFWLDROJCNYQGU-JXFKEZNVSA-N 1 1 322.452 3.204 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@@H]2CCCOC2)c1 ZINC000809692794 626937285 /nfs/dbraw/zinc/93/72/85/626937285.db2.gz GXZFNSMFWSTAOP-GFCCVEGCSA-N 1 1 314.223 3.074 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)[C@@H]2CCCOC2)c1 ZINC000809692794 626937286 /nfs/dbraw/zinc/93/72/86/626937286.db2.gz GXZFNSMFWSTAOP-GFCCVEGCSA-N 1 1 314.223 3.074 20 10 DGCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cc(Cl)cc(C)c1O ZINC000809698530 626937760 /nfs/dbraw/zinc/93/77/60/626937760.db2.gz ZLHXRWJOPZGNSC-RLBTWZHOSA-N 1 1 307.821 3.209 20 10 DGCDMO CN(C)CC[N@@H+](CCc1ccccc1)Cc1cc(F)ccc1O ZINC000809730769 626942657 /nfs/dbraw/zinc/94/26/57/626942657.db2.gz DQJBWTUTQCEFSK-UHFFFAOYSA-N 1 1 316.420 3.138 20 10 DGCDMO C[NH+](C)CCN(CCc1ccccc1)Cc1cc(F)ccc1O ZINC000809730769 626942660 /nfs/dbraw/zinc/94/26/60/626942660.db2.gz DQJBWTUTQCEFSK-UHFFFAOYSA-N 1 1 316.420 3.138 20 10 DGCDMO C[C@H](CO)[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809744955 626945212 /nfs/dbraw/zinc/94/52/12/626945212.db2.gz AMCUKCQQDSYPJE-MRXNPFEDSA-N 1 1 310.441 3.062 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCc1ccccn1)Cc1ccncc1 ZINC000809762458 626948363 /nfs/dbraw/zinc/94/83/63/626948363.db2.gz OTOVCWDIZWLJKI-UHFFFAOYSA-N 1 1 319.408 3.427 20 10 DGCDMO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2ccccc2O)C1 ZINC000809768833 626949949 /nfs/dbraw/zinc/94/99/49/626949949.db2.gz YDWBOKFBFQJMFO-GOEBONIOSA-N 1 1 315.438 3.393 20 10 DGCDMO COCC[C@H](COC)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000810258023 626993921 /nfs/dbraw/zinc/99/39/21/626993921.db2.gz XZXNVVJQFKYACQ-VHSXEESVSA-N 1 1 322.232 3.401 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1C[C@]12CCOC2 ZINC000885960104 627070088 /nfs/dbraw/zinc/07/00/88/627070088.db2.gz GXZWXGQZCYOAIF-HKUYNNGSSA-N 1 1 302.462 3.390 20 10 DGCDMO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2c(O)cccc2F)c1 ZINC000886514635 627155488 /nfs/dbraw/zinc/15/54/88/627155488.db2.gz VFEMGCNXPNHHGT-GFCCVEGCSA-N 1 1 316.376 3.132 20 10 DGCDMO COc1ccc(COCC[NH2+][C@H](C)c2c(O)cccc2F)cc1 ZINC000886542737 627159662 /nfs/dbraw/zinc/15/96/62/627159662.db2.gz FFJYWRHVPKULAW-CYBMUJFWSA-N 1 1 319.376 3.407 20 10 DGCDMO COc1ccc(COCC[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886542738 627160019 /nfs/dbraw/zinc/16/00/19/627160019.db2.gz FFJYWRHVPKULAW-ZDUSSCGKSA-N 1 1 319.376 3.407 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1c(O)cccc1F ZINC000886550434 627161338 /nfs/dbraw/zinc/16/13/38/627161338.db2.gz ZTVASUZNRBXMMG-LKFCYVNXSA-N 1 1 311.303 3.194 20 10 DGCDMO CCN(CC[NH2+][C@H](C)c1c(O)cccc1F)CCC(F)(F)F ZINC000886598993 627170527 /nfs/dbraw/zinc/17/05/27/627170527.db2.gz OTBZRHFTFHHFNN-LLVKDONJSA-N 1 1 322.346 3.456 20 10 DGCDMO C[C@H]([NH2+][C@H](CCO)c1ccccc1F)c1c(O)cccc1F ZINC000886630310 627176454 /nfs/dbraw/zinc/17/64/54/627176454.db2.gz ZNLQOIUMQPZPQV-XHDPSFHLSA-N 1 1 307.340 3.445 20 10 DGCDMO CC[C@H]([NH2+]C[C@H](O)Cc1ccccc1F)c1ccc(F)cc1O ZINC000886674509 627186860 /nfs/dbraw/zinc/18/68/60/627186860.db2.gz MVCHDPFMDOFUMG-PBHICJAKSA-N 1 1 321.367 3.315 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@@H](c3ncccn3)C2)ccc1N(C)C ZINC000886688551 627190472 /nfs/dbraw/zinc/19/04/72/627190472.db2.gz VCVHKGHCEZNJTO-QGZVFWFLSA-N 1 1 310.445 3.231 20 10 DGCDMO COc1cc2c(cc1O)CC[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000887106933 627225818 /nfs/dbraw/zinc/22/58/18/627225818.db2.gz UHVGSTGBEOCIOT-UHFFFAOYSA-N 1 1 312.413 3.025 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c(O)cc1C ZINC000811803838 627322462 /nfs/dbraw/zinc/32/24/62/627322462.db2.gz TVDVJMOYOTXOBP-CQSZACIVSA-N 1 1 321.808 3.006 20 10 DGCDMO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(O)cc1C ZINC000811792388 627322622 /nfs/dbraw/zinc/32/26/22/627322622.db2.gz OHTLQGPXFNAZAP-AEFFLSMTSA-N 1 1 317.429 3.243 20 10 DGCDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cc(F)ccc1O ZINC000814178065 627547066 /nfs/dbraw/zinc/54/70/66/627547066.db2.gz ANMMWXKADZESPJ-ZDUSSCGKSA-N 1 1 318.367 3.381 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)ccc1O ZINC000815036540 627618562 /nfs/dbraw/zinc/61/85/62/627618562.db2.gz XSXGZNDMKLNUDI-UHFFFAOYSA-N 1 1 314.429 3.407 20 10 DGCDMO Cc1cc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)ccc1N(C)C ZINC000815058782 627620749 /nfs/dbraw/zinc/62/07/49/627620749.db2.gz TXBAZGASHWOQRG-KRWDZBQOSA-N 1 1 318.461 3.367 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)ccc1N(C)C ZINC000815058782 627620751 /nfs/dbraw/zinc/62/07/51/627620751.db2.gz TXBAZGASHWOQRG-KRWDZBQOSA-N 1 1 318.461 3.367 20 10 DGCDMO Cc1cc(C[N@H+]2CCc3ccccc3[C@@H]2CO)ccc1N(C)C ZINC000815073118 627622701 /nfs/dbraw/zinc/62/27/01/627622701.db2.gz GIILUWXNKZIQBZ-FQEVSTJZSA-N 1 1 310.441 3.153 20 10 DGCDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC000815113794 627628518 /nfs/dbraw/zinc/62/85/18/627628518.db2.gz LGLMJPLEXKHFQB-SFHVURJKSA-N 1 1 317.477 3.023 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2C[C@H](N3CCCC3)C[C@@H]2C)cc1 ZINC000815117416 627629272 /nfs/dbraw/zinc/62/92/72/627629272.db2.gz MDEIFLGRGXIFKK-QFBILLFUSA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](N3CCCC3)C[C@@H]2C)cc1 ZINC000815117416 627629276 /nfs/dbraw/zinc/62/92/76/627629276.db2.gz MDEIFLGRGXIFKK-QFBILLFUSA-N 1 1 301.478 3.201 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H](N3CCCC3)[C@H]2C)ccc1N(C)C ZINC000815118668 627630099 /nfs/dbraw/zinc/63/00/99/627630099.db2.gz QYRMEVIPPBEJTF-VQIMIIECSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@@H](N3CCCC3)[C@H]2C)ccc1N(C)C ZINC000815118668 627630102 /nfs/dbraw/zinc/63/01/02/627630102.db2.gz QYRMEVIPPBEJTF-VQIMIIECSA-N 1 1 301.478 3.120 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCCN1C)c1cccc(C(F)(F)F)c1O ZINC000815565883 627685690 /nfs/dbraw/zinc/68/56/90/627685690.db2.gz CLCKPBDKPBIRTR-WDEREUQCSA-N 1 1 302.340 3.156 20 10 DGCDMO C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc(C(F)(F)F)c1O ZINC000815585988 627688527 /nfs/dbraw/zinc/68/85/27/627688527.db2.gz WTXZRCBLMLRZMD-RYUDHWBXSA-N 1 1 316.367 3.403 20 10 DGCDMO COC[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C1CC1 ZINC000815598322 627689474 /nfs/dbraw/zinc/68/94/74/627689474.db2.gz ROZNLAMJVIJVNS-ZANVPECISA-N 1 1 303.324 3.487 20 10 DGCDMO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1cccc(C(F)(F)F)c1O ZINC000815620212 627691808 /nfs/dbraw/zinc/69/18/08/627691808.db2.gz KKVCTNYBXVFGKK-SFYZADRCSA-N 1 1 313.266 3.078 20 10 DGCDMO CC1(C)[C@H](NCc2ccc(N3CCCC3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925543640 627751135 /nfs/dbraw/zinc/75/11/35/627751135.db2.gz NIZYANAQFZRDRI-CEXWTWQISA-N 1 1 313.489 3.153 20 10 DGCDMO [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000816492784 627796022 /nfs/dbraw/zinc/79/60/22/627796022.db2.gz CIASSGUAZLRDGS-SNVBAGLBSA-N 1 1 309.772 3.287 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000816492784 627796026 /nfs/dbraw/zinc/79/60/26/627796026.db2.gz CIASSGUAZLRDGS-SNVBAGLBSA-N 1 1 309.772 3.287 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000816492784 627796028 /nfs/dbraw/zinc/79/60/28/627796028.db2.gz CIASSGUAZLRDGS-SNVBAGLBSA-N 1 1 309.772 3.287 20 10 DGCDMO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816516839 627800124 /nfs/dbraw/zinc/80/01/24/627800124.db2.gz SPZMDXBDFIUMED-LBPRGKRZSA-N 1 1 314.832 3.348 20 10 DGCDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816516839 627800127 /nfs/dbraw/zinc/80/01/27/627800127.db2.gz SPZMDXBDFIUMED-LBPRGKRZSA-N 1 1 314.832 3.348 20 10 DGCDMO C[C@@H]1CCCCN1CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816535345 627803278 /nfs/dbraw/zinc/80/32/78/627803278.db2.gz MLODQSGOXZPNKL-LLVKDONJSA-N 1 1 300.805 3.149 20 10 DGCDMO OC[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)Cc1ccccc1 ZINC000816538189 627804377 /nfs/dbraw/zinc/80/43/77/627804377.db2.gz IZQPKMSWQUFAAF-ZDUSSCGKSA-N 1 1 323.795 3.126 20 10 DGCDMO OC[C@]1([NH2+]Cc2cc(Cl)c(F)cc2O)CCc2ccccc21 ZINC000816558631 627807740 /nfs/dbraw/zinc/80/77/40/627807740.db2.gz HHRTZGKXIHIDIS-QGZVFWFLSA-N 1 1 321.779 3.108 20 10 DGCDMO COc1cnccc1[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816586197 627811395 /nfs/dbraw/zinc/81/13/95/627811395.db2.gz CGFCIAKARDJHDP-SECBINFHSA-N 1 1 310.756 3.439 20 10 DGCDMO OC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)CC1CCCC1 ZINC000816598777 627813500 /nfs/dbraw/zinc/81/35/00/627813500.db2.gz PPQIYILWLNOYLW-GFCCVEGCSA-N 1 1 315.816 3.463 20 10 DGCDMO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)c(F)cc1O ZINC000816609527 627814265 /nfs/dbraw/zinc/81/42/65/627814265.db2.gz FDWHDAQCYHNREI-NHYWBVRUSA-N 1 1 312.816 3.243 20 10 DGCDMO COc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1O ZINC000816610519 627814955 /nfs/dbraw/zinc/81/49/55/627814955.db2.gz NIANMJQZTIKQIP-UHFFFAOYSA-N 1 1 311.740 3.189 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC[C@@H](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000817415648 627897053 /nfs/dbraw/zinc/89/70/53/627897053.db2.gz WDOYKRIAQSCPSG-CYBMUJFWSA-N 1 1 320.389 3.321 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@@H](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000817415648 627897056 /nfs/dbraw/zinc/89/70/56/627897056.db2.gz WDOYKRIAQSCPSG-CYBMUJFWSA-N 1 1 320.389 3.321 20 10 DGCDMO OCC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000817419232 627898019 /nfs/dbraw/zinc/89/80/19/627898019.db2.gz RHWDBJFCMPRSNJ-LLVKDONJSA-N 1 1 301.789 3.169 20 10 DGCDMO OCC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000817419232 627898021 /nfs/dbraw/zinc/89/80/21/627898021.db2.gz RHWDBJFCMPRSNJ-LLVKDONJSA-N 1 1 301.789 3.169 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC000817938253 627966854 /nfs/dbraw/zinc/96/68/54/627966854.db2.gz HMQFERYQQXLXLG-KZULUSFZSA-N 1 1 319.399 3.381 20 10 DGCDMO Cc1cc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC000817939997 627967422 /nfs/dbraw/zinc/96/74/22/627967422.db2.gz DSRDFWRRSXIWIV-CXAGYDPISA-N 1 1 303.475 3.473 20 10 DGCDMO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000817938794 627967513 /nfs/dbraw/zinc/96/75/13/627967513.db2.gz SLMGXSZXBPVSCA-UGSOOPFHSA-N 1 1 301.409 3.242 20 10 DGCDMO Cc1ccc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)n1 ZINC000817941147 627968785 /nfs/dbraw/zinc/96/87/85/627968785.db2.gz JDWNRLQWZKQWGG-LIRRHRJNSA-N 1 1 312.461 3.115 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000817942772 627969439 /nfs/dbraw/zinc/96/94/39/627969439.db2.gz QVVXXSMQQGPEQI-IAGOWNOFSA-N 1 1 316.424 3.027 20 10 DGCDMO COc1ccsc1[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817943864 627969503 /nfs/dbraw/zinc/96/95/03/627969503.db2.gz WEHKLBRCWVTNDS-IUODEOHRSA-N 1 1 319.474 3.173 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CCCNc3ccccc32)cc1 ZINC000817944337 627969623 /nfs/dbraw/zinc/96/96/23/627969623.db2.gz ZIAJYPZQWCDBEU-QUCCMNQESA-N 1 1 324.472 3.289 20 10 DGCDMO CC(C)[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817944146 627969964 /nfs/dbraw/zinc/96/99/64/627969964.db2.gz XOZWQGRAHZERDQ-RTBURBONSA-N 1 1 312.461 3.134 20 10 DGCDMO C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Br)cc1[O-] ZINC000817948069 627971377 /nfs/dbraw/zinc/97/13/77/627971377.db2.gz UDPDAXCNNWZWML-GCVQQVDUSA-N 1 1 313.239 3.075 20 10 DGCDMO C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000817957254 627973936 /nfs/dbraw/zinc/97/39/36/627973936.db2.gz KEGYKEIEVKDNGW-XLIONFOSSA-N 1 1 323.484 3.312 20 10 DGCDMO CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817959887 627975987 /nfs/dbraw/zinc/97/59/87/627975987.db2.gz WHVKONDROZCXQH-GHMZBOCLSA-N 1 1 304.356 3.435 20 10 DGCDMO CC[C@H](NCC(F)(F)C[NH3+])c1ccc(C(F)(F)F)cc1O ZINC000817968364 627979178 /nfs/dbraw/zinc/97/91/78/627979178.db2.gz QPBCFFGKFZEDCE-JTQLQIEISA-N 1 1 312.282 3.046 20 10 DGCDMO C[C@H](N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000817970852 627980294 /nfs/dbraw/zinc/98/02/94/627980294.db2.gz GFQRNIGTUZQDSL-RYRKJORJSA-N 1 1 301.478 3.468 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(F)cc1O ZINC000817975041 627980842 /nfs/dbraw/zinc/98/08/42/627980842.db2.gz QELIMCMMCJZYIW-QZTJIDSGSA-N 1 1 314.404 3.459 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccc(F)cc1O ZINC000926922756 627981790 /nfs/dbraw/zinc/98/17/90/627981790.db2.gz RRRRPMUGMGXQEN-PWSUYJOCSA-N 1 1 320.330 3.209 20 10 DGCDMO CC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(Br)ccc1[O-] ZINC000817977884 627981921 /nfs/dbraw/zinc/98/19/21/627981921.db2.gz RCNHNYAHBCUSQA-GWCFXTLKSA-N 1 1 315.255 3.323 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccc(F)cc1O ZINC000926922755 627982012 /nfs/dbraw/zinc/98/20/12/627982012.db2.gz RRRRPMUGMGXQEN-JQWIXIFHSA-N 1 1 320.330 3.209 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000926951400 627988304 /nfs/dbraw/zinc/98/83/04/627988304.db2.gz QTJJYVSNKSQRMD-PTOFAABTSA-N 1 1 317.307 3.028 20 10 DGCDMO CCn1nc(C)c(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)n1 ZINC000818221601 628006710 /nfs/dbraw/zinc/00/67/10/628006710.db2.gz QLLQDXWDPKLWMJ-UHFFFAOYSA-N 1 1 322.412 3.269 20 10 DGCDMO C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1O ZINC000927080407 628009751 /nfs/dbraw/zinc/00/97/51/628009751.db2.gz IYQVOSYMUXKHDX-VHSXEESVSA-N 1 1 320.216 3.155 20 10 DGCDMO COc1ccc(N2CC[NH+](Cc3c(C)nsc3C)CC2)cc1 ZINC000821387992 628362479 /nfs/dbraw/zinc/36/24/79/628362479.db2.gz ZZTZZRYXJUFBOM-UHFFFAOYSA-N 1 1 317.458 3.091 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c(O)c1 ZINC000822515433 628459809 /nfs/dbraw/zinc/45/98/09/628459809.db2.gz ASJCITGQSSKMOB-IBGZPJMESA-N 1 1 315.413 3.130 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2c(C)nnn2CC)cc1 ZINC000823390536 628555439 /nfs/dbraw/zinc/55/54/39/628555439.db2.gz HXRBNDXBUORCSM-UHFFFAOYSA-N 1 1 315.465 3.085 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2c(C)nnn2CC)cc1 ZINC000823390536 628555441 /nfs/dbraw/zinc/55/54/41/628555441.db2.gz HXRBNDXBUORCSM-UHFFFAOYSA-N 1 1 315.465 3.085 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1Cl ZINC000824597431 628675410 /nfs/dbraw/zinc/67/54/10/628675410.db2.gz QZPWIVKHPDTGPY-GFCCVEGCSA-N 1 1 305.809 3.457 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1Cl ZINC000824690092 628683938 /nfs/dbraw/zinc/68/39/38/628683938.db2.gz YTAZESVNPUPRRM-CQSZACIVSA-N 1 1 305.809 3.388 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824723071 628687716 /nfs/dbraw/zinc/68/77/16/628687716.db2.gz ZYGCZFHAPFBVLG-DFBGVHRSSA-N 1 1 313.800 3.310 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824723071 628687717 /nfs/dbraw/zinc/68/77/17/628687717.db2.gz ZYGCZFHAPFBVLG-DFBGVHRSSA-N 1 1 313.800 3.310 20 10 DGCDMO COc1cc(C[N@@H+](C[C@H](C)O)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000824725908 628687762 /nfs/dbraw/zinc/68/77/62/628687762.db2.gz OGJDZPWEIHBPNZ-ZDUSSCGKSA-N 1 1 309.450 3.290 20 10 DGCDMO Cc1cccc(C[N@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1O ZINC000824733105 628688443 /nfs/dbraw/zinc/68/84/43/628688443.db2.gz HWVOMWAIIUTYHH-UHFFFAOYSA-N 1 1 320.433 3.188 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1Cl ZINC000824933042 628708977 /nfs/dbraw/zinc/70/89/77/628708977.db2.gz ATLPQPPEKUDHKR-CZUORRHYSA-N 1 1 308.853 3.270 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000824933042 628708979 /nfs/dbraw/zinc/70/89/79/628708979.db2.gz ATLPQPPEKUDHKR-CZUORRHYSA-N 1 1 308.853 3.270 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c1 ZINC000825104224 628728355 /nfs/dbraw/zinc/72/83/55/628728355.db2.gz RINBYMGHYWOTRW-DLBZAZTESA-N 1 1 305.418 3.180 20 10 DGCDMO COC[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000825321685 628749132 /nfs/dbraw/zinc/74/91/32/628749132.db2.gz LBSLLDRNUZIRMO-NSHDSACASA-N 1 1 301.789 3.433 20 10 DGCDMO COC[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000825321685 628749135 /nfs/dbraw/zinc/74/91/35/628749135.db2.gz LBSLLDRNUZIRMO-NSHDSACASA-N 1 1 301.789 3.433 20 10 DGCDMO COc1cc(C[NH2+][C@@H](C)c2nc(C)no2)c(O)c(C(C)(C)C)c1 ZINC000825680030 628785025 /nfs/dbraw/zinc/78/50/25/628785025.db2.gz BBCIRZVNRVJXBK-JTQLQIEISA-N 1 1 319.405 3.241 20 10 DGCDMO COc1cc(C[N@@H+](C)[C@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000825882732 628806705 /nfs/dbraw/zinc/80/67/05/628806705.db2.gz NTNAGMPEWOPRRC-AWEZNQCLSA-N 1 1 307.434 3.309 20 10 DGCDMO COc1cc(C[N@@H+](C)[C@@H]2CCCOC2)c(O)c(C(C)(C)C)c1 ZINC000825882733 628806895 /nfs/dbraw/zinc/80/68/95/628806895.db2.gz 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3.092 20 10 DGCDMO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1N1CCCCC1 ZINC000827949482 629007155 /nfs/dbraw/zinc/00/71/55/629007155.db2.gz ONCSDQXUSOLVAD-HDICACEKSA-N 1 1 300.446 3.349 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)ccc1N1CCCCC1 ZINC000828755378 629088086 /nfs/dbraw/zinc/08/80/86/629088086.db2.gz MTLCKXBVQHLDIB-SJLPKXTDSA-N 1 1 302.462 3.188 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)cc1 ZINC000829376132 629153932 /nfs/dbraw/zinc/15/39/32/629153932.db2.gz MPAXYNVJINBARN-FQEVSTJZSA-N 1 1 310.441 3.018 20 10 DGCDMO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000834844724 629788957 /nfs/dbraw/zinc/78/89/57/629788957.db2.gz UFVFYHIFYCECMF-XPTSAGLGSA-N 1 1 322.232 3.137 20 10 DGCDMO C[C@H]([NH2+]CCC(C)(C)CO)c1cccc(C(F)(F)F)c1O ZINC000834872602 629794613 /nfs/dbraw/zinc/79/46/13/629794613.db2.gz ZLRFEUWVNSGQKI-JTQLQIEISA-N 1 1 305.340 3.470 20 10 DGCDMO COCC(COC)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000834891912 629798997 /nfs/dbraw/zinc/79/89/97/629798997.db2.gz QCCUPXGKLFRNOY-QMMMGPOBSA-N 1 1 308.205 3.011 20 10 DGCDMO CN(C)c1ccc(/C=C\CNCC2([NH+](C)C)CCCC2)cc1 ZINC000835033356 629829848 /nfs/dbraw/zinc/82/98/48/629829848.db2.gz FRIUTFPXVQAKIE-FPLPWBNLSA-N 1 1 301.478 3.230 20 10 DGCDMO CC[N@@H+]1CCC[C@@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835035244 629830616 /nfs/dbraw/zinc/83/06/16/629830616.db2.gz FADIEOGVTHEURB-FZMUQLTDSA-N 1 1 301.478 3.087 20 10 DGCDMO CC[N@H+]1CCC[C@@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835035244 629830619 /nfs/dbraw/zinc/83/06/19/629830619.db2.gz FADIEOGVTHEURB-FZMUQLTDSA-N 1 1 301.478 3.087 20 10 DGCDMO CC(C)C[NH+]1CCC(NC/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835035163 629830647 /nfs/dbraw/zinc/83/06/47/629830647.db2.gz GIIFSCHNOTVFDD-AATRIKPKSA-N 1 1 315.505 3.476 20 10 DGCDMO CN(C)c1ccc(/C=C\CN[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000835044127 629834015 /nfs/dbraw/zinc/83/40/15/629834015.db2.gz WWKPLOHTMDHXRN-IIFCEKJISA-N 1 1 301.478 3.228 20 10 DGCDMO COC(=O)[C@@H](C)[N@H+](C/C=C/c1ccc(N(C)C)cc1)C1CCC1 ZINC000835050365 629836203 /nfs/dbraw/zinc/83/62/03/629836203.db2.gz PHCQPIFTIOLXCE-LQYUOIDQSA-N 1 1 316.445 3.182 20 10 DGCDMO COC(=O)[C@@H](C)[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C1CCC1 ZINC000835050365 629836208 /nfs/dbraw/zinc/83/62/08/629836208.db2.gz PHCQPIFTIOLXCE-LQYUOIDQSA-N 1 1 316.445 3.182 20 10 DGCDMO C[C@H](CO)[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CC1CCC1 ZINC000835049527 629836272 /nfs/dbraw/zinc/83/62/72/629836272.db2.gz JNGKWIMMZCHXST-KQQSKNTNSA-N 1 1 302.462 3.249 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)[C@@H](CO)c2ccccc2)cc1 ZINC000835053456 629837409 /nfs/dbraw/zinc/83/74/09/629837409.db2.gz COWRAVANZPVKHC-AQWUKCDYSA-N 1 1 310.441 3.431 20 10 DGCDMO C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC[N@H+](C2CC2)C1 ZINC000835055550 629840041 /nfs/dbraw/zinc/84/00/41/629840041.db2.gz WATDATCUXOHLKZ-VGOKWCNXSA-N 1 1 313.489 3.182 20 10 DGCDMO C[C@H]1CN(C2CC2)CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835055550 629840045 /nfs/dbraw/zinc/84/00/45/629840045.db2.gz WATDATCUXOHLKZ-VGOKWCNXSA-N 1 1 313.489 3.182 20 10 DGCDMO C[C@H]1CN(C2CC2)CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835055550 629840048 /nfs/dbraw/zinc/84/00/48/629840048.db2.gz WATDATCUXOHLKZ-VGOKWCNXSA-N 1 1 313.489 3.182 20 10 DGCDMO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1c(O)cccc1Cl ZINC000835077253 629845462 /nfs/dbraw/zinc/84/54/62/629845462.db2.gz MWOHUGRTLDHETQ-UHFFFAOYSA-N 1 1 314.813 3.002 20 10 DGCDMO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1c(O)cccc1Cl ZINC000835077253 629845463 /nfs/dbraw/zinc/84/54/63/629845463.db2.gz MWOHUGRTLDHETQ-UHFFFAOYSA-N 1 1 314.813 3.002 20 10 DGCDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC000840918607 630378132 /nfs/dbraw/zinc/37/81/32/630378132.db2.gz WPYZFDVNIPAARU-LPHOPBHVSA-N 1 1 303.494 3.366 20 10 DGCDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC000840918607 630378134 /nfs/dbraw/zinc/37/81/34/630378134.db2.gz WPYZFDVNIPAARU-LPHOPBHVSA-N 1 1 303.494 3.366 20 10 DGCDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC000840918607 630378137 /nfs/dbraw/zinc/37/81/37/630378137.db2.gz WPYZFDVNIPAARU-LPHOPBHVSA-N 1 1 303.494 3.366 20 10 DGCDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC000840918607 630378138 /nfs/dbraw/zinc/37/81/38/630378138.db2.gz WPYZFDVNIPAARU-LPHOPBHVSA-N 1 1 303.494 3.366 20 10 DGCDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC000840918607 630378140 /nfs/dbraw/zinc/37/81/40/630378140.db2.gz WPYZFDVNIPAARU-LPHOPBHVSA-N 1 1 303.494 3.366 20 10 DGCDMO COCC[N@H+](Cc1cccnc1)Cc1c(O)cc(C)cc1Cl ZINC000840948369 630382429 /nfs/dbraw/zinc/38/24/29/630382429.db2.gz GSRUUIKHVKLGJD-UHFFFAOYSA-N 1 1 320.820 3.398 20 10 DGCDMO COCC[N@@H+](Cc1cccnc1)Cc1c(O)cc(C)cc1Cl ZINC000840948369 630382432 /nfs/dbraw/zinc/38/24/32/630382432.db2.gz GSRUUIKHVKLGJD-UHFFFAOYSA-N 1 1 320.820 3.398 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000840949587 630383456 /nfs/dbraw/zinc/38/34/56/630383456.db2.gz YPOKIXQIHNRRMH-OALUTQOASA-N 1 1 300.446 3.204 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000840954822 630384190 /nfs/dbraw/zinc/38/41/90/630384190.db2.gz OQQTYWXDTGRUEQ-JSGCOSHPSA-N 1 1 320.389 3.225 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CS[C@H](C)C2)c1 ZINC000840958058 630384990 /nfs/dbraw/zinc/38/49/90/630384990.db2.gz IDCOUISFCWWZPA-KOLCDFICSA-N 1 1 316.264 3.447 20 10 DGCDMO CC(C)[C@H]1[N@@H+](Cc2ccc(N(C)C)cc2)CC12CCOCC2 ZINC000840969460 630387980 /nfs/dbraw/zinc/38/79/80/630387980.db2.gz KMBSGSJHBVGIPR-GOSISDBHSA-N 1 1 302.462 3.390 20 10 DGCDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841688445 630454708 /nfs/dbraw/zinc/45/47/08/630454708.db2.gz HPDMIKCACOBFDI-INMHGKMJSA-N 1 1 319.445 3.465 20 10 DGCDMO C[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(Cl)cc1O ZINC000841756415 630462883 /nfs/dbraw/zinc/46/28/83/630462883.db2.gz XSYCRAPKZVDKLH-QWHCGFSZSA-N 1 1 313.825 3.139 20 10 DGCDMO C[C@@H]([NH2+]CCCN1CCCCC1=O)c1ccc(Cl)cc1O ZINC000841763957 630463266 /nfs/dbraw/zinc/46/32/66/630463266.db2.gz OPIMBRVHHTZHKJ-GFCCVEGCSA-N 1 1 310.825 3.099 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)[C@H]1C ZINC000841889346 630473645 /nfs/dbraw/zinc/47/36/45/630473645.db2.gz BZEUDNMZZFGTIV-ILXRZTDVSA-N 1 1 306.425 3.139 20 10 DGCDMO C[C@@H]1CC2(C[N@H+]1Cc1c(O)ccc3ccncc31)CCOCC2 ZINC000842638212 630556813 /nfs/dbraw/zinc/55/68/13/630556813.db2.gz XNFYKXBTNUNBPL-CQSZACIVSA-N 1 1 312.413 3.331 20 10 DGCDMO CN(C)c1ccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1 ZINC000842765482 630573516 /nfs/dbraw/zinc/57/35/16/630573516.db2.gz WRAAZWZCPGOMBY-CTNGQTDRSA-N 1 1 323.484 3.188 20 10 DGCDMO [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843123962 630615694 /nfs/dbraw/zinc/61/56/94/630615694.db2.gz SNTXPXPPBWCTEY-OAHLLOKOSA-N 1 1 315.244 3.275 20 10 DGCDMO [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843123962 630615696 /nfs/dbraw/zinc/61/56/96/630615696.db2.gz SNTXPXPPBWCTEY-OAHLLOKOSA-N 1 1 315.244 3.275 20 10 DGCDMO Oc1c(Cl)cccc1CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000843118943 630615751 /nfs/dbraw/zinc/61/57/51/630615751.db2.gz QERPIERNZFPALP-MRXNPFEDSA-N 1 1 320.795 3.331 20 10 DGCDMO [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126047 630616717 /nfs/dbraw/zinc/61/67/17/630616717.db2.gz FFULDVJIRJXCNT-ZIAGYGMSSA-N 1 1 308.853 3.257 20 10 DGCDMO [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126047 630616718 /nfs/dbraw/zinc/61/67/18/630616718.db2.gz FFULDVJIRJXCNT-ZIAGYGMSSA-N 1 1 308.853 3.257 20 10 DGCDMO CCCCCC[N@H+](C)Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843159600 630623544 /nfs/dbraw/zinc/62/35/44/630623544.db2.gz BVURGQSKMJEHSW-UHFFFAOYSA-N 1 1 302.422 3.255 20 10 DGCDMO CCCCCC[N@@H+](C)Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843159600 630623548 /nfs/dbraw/zinc/62/35/48/630623548.db2.gz BVURGQSKMJEHSW-UHFFFAOYSA-N 1 1 302.422 3.255 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000843417151 630654127 /nfs/dbraw/zinc/65/41/27/630654127.db2.gz PWXLXBHBKWIXPH-YOEHRIQHSA-N 1 1 305.418 3.182 20 10 DGCDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000844723318 630807297 /nfs/dbraw/zinc/80/72/97/630807297.db2.gz SRRPAKCIIBFWKR-AWEZNQCLSA-N 1 1 300.402 3.330 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cnn(C(C)C)c2)cc1 ZINC000846051648 631208413 /nfs/dbraw/zinc/20/84/13/631208413.db2.gz JXVLFDJGIPGXQA-UHFFFAOYSA-N 1 1 316.449 3.041 20 10 DGCDMO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000846055490 631208549 /nfs/dbraw/zinc/20/85/49/631208549.db2.gz GNELQGSZQSIQSZ-CHWSQXEVSA-N 1 1 314.223 3.202 20 10 DGCDMO CCOc1cccc(C[N@@H+](Cc2cnn(CC)c2)C(C)C)c1O ZINC000846056749 631208595 /nfs/dbraw/zinc/20/85/95/631208595.db2.gz ZHZFXVFPLMVANA-UHFFFAOYSA-N 1 1 317.433 3.418 20 10 DGCDMO C[C@H](CO)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000846059083 631208985 /nfs/dbraw/zinc/20/89/85/631208985.db2.gz XSTCULYFQCPRIU-SNVBAGLBSA-N 1 1 301.789 3.025 20 10 DGCDMO CCc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000846100113 631209394 /nfs/dbraw/zinc/20/93/94/631209394.db2.gz HVODWUMYKAQCPP-UHFFFAOYSA-N 1 1 316.357 3.161 20 10 DGCDMO COc1cccc([C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)c1O ZINC000846142714 631211548 /nfs/dbraw/zinc/21/15/48/631211548.db2.gz CCCWKOMFITVRIE-XJKSGUPXSA-N 1 1 308.466 3.418 20 10 DGCDMO COc1cccc([C@@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)c1O ZINC000846151698 631212297 /nfs/dbraw/zinc/21/22/97/631212297.db2.gz DWNKRUIXENPILP-QMTHXVAHSA-N 1 1 323.339 3.063 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1O ZINC000848497518 631669622 /nfs/dbraw/zinc/66/96/22/631669622.db2.gz MMHJWUZUQBTUIW-MRXNPFEDSA-N 1 1 305.418 3.243 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)C[C@@H]3CCCOC3)c2c1 ZINC000107671967 631678841 /nfs/dbraw/zinc/67/88/41/631678841.db2.gz FLOIEFJFLDALKZ-AWEZNQCLSA-N 1 1 315.413 3.412 20 10 DGCDMO CCc1cccc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c1O ZINC000848891265 631774305 /nfs/dbraw/zinc/77/43/05/631774305.db2.gz YBHWSLZXTXGNED-JOCHJYFZSA-N 1 1 317.454 3.324 20 10 DGCDMO CCc1cccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)c1O ZINC000848898058 631777402 /nfs/dbraw/zinc/77/74/02/631777402.db2.gz PKJSDYJSKALPSJ-UHFFFAOYSA-N 1 1 305.447 3.393 20 10 DGCDMO CCc1cccc(C[NH2+]Cc2csc([C@H](C)OC)n2)c1O ZINC000848898263 631778024 /nfs/dbraw/zinc/77/80/24/631778024.db2.gz RQKBFTFFAVOBLT-NSHDSACASA-N 1 1 306.431 3.408 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1O ZINC000848900914 631779689 /nfs/dbraw/zinc/77/96/89/631779689.db2.gz QUDAEGAXVHTCJF-LJQANCHMSA-N 1 1 315.388 3.187 20 10 DGCDMO COc1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2F)cc1C ZINC000850410413 632143606 /nfs/dbraw/zinc/14/36/06/632143606.db2.gz MEIYXWBPUHIGOM-INIZCTEOSA-N 1 1 307.340 3.105 20 10 DGCDMO COC[C@H](CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)OC ZINC000850485684 632167664 /nfs/dbraw/zinc/16/76/64/632167664.db2.gz MNCKLVRUPSKNPN-QWRGUYRKSA-N 1 1 321.339 3.113 20 10 DGCDMO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1cccc(C(F)(F)F)c1O ZINC000850487707 632167750 /nfs/dbraw/zinc/16/77/50/632167750.db2.gz JLANVXBDGOFBPX-NOZJJQNGSA-N 1 1 303.324 3.223 20 10 DGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ncnc32)c1O ZINC000850499202 632172518 /nfs/dbraw/zinc/17/25/18/632172518.db2.gz LFQTULAYMMKGOZ-GBIKHYSHSA-N 1 1 306.797 3.302 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1ccc(F)cc1O ZINC000850537480 632186183 /nfs/dbraw/zinc/18/61/83/632186183.db2.gz QSWGTAZXLZJTME-YGRLFVJLSA-N 1 1 305.324 3.325 20 10 DGCDMO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1cccc(C(F)(F)F)c1O ZINC000850547240 632188982 /nfs/dbraw/zinc/18/89/82/632188982.db2.gz SHMIKZJNZNUJAD-BIMULSAOSA-N 1 1 315.335 3.365 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(F)cc1O ZINC000850553885 632190897 /nfs/dbraw/zinc/19/08/97/632190897.db2.gz ALMHKVAQDNCQKW-SWLSCSKDSA-N 1 1 322.424 3.219 20 10 DGCDMO C[N@@H+](CCCOc1ccc2c(c1)OCO2)Cc1ccccc1O ZINC000109772767 632316359 /nfs/dbraw/zinc/31/63/59/632316359.db2.gz JYVJJJIEEKTBQR-UHFFFAOYSA-N 1 1 315.369 3.022 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000851718420 632474205 /nfs/dbraw/zinc/47/42/05/632474205.db2.gz XFMSGSSGRMNTBC-BCDXTJNWSA-N 1 1 300.446 3.001 20 10 DGCDMO COCC[N@H+](CCF)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000852479675 632609200 /nfs/dbraw/zinc/60/92/00/632609200.db2.gz JCOIJTQJEVTGEW-UHFFFAOYSA-N 1 1 308.441 3.403 20 10 DGCDMO COCC[N@@H+](CCF)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000852479675 632609205 /nfs/dbraw/zinc/60/92/05/632609205.db2.gz JCOIJTQJEVTGEW-UHFFFAOYSA-N 1 1 308.441 3.403 20 10 DGCDMO CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000185020856 660199069 /nfs/dbraw/zinc/19/90/69/660199069.db2.gz UQPHRLNAQBKULM-NSHDSACASA-N 1 1 302.349 3.341 20 10 DGCDMO CCOC[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707144532 660888652 /nfs/dbraw/zinc/88/86/52/660888652.db2.gz ODCMYCDJZVRIKV-NSHDSACASA-N 1 1 314.223 3.013 20 10 DGCDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000708270681 660919421 /nfs/dbraw/zinc/91/94/21/660919421.db2.gz LOFWTUYCJABOGW-NSHDSACASA-N 1 1 314.223 3.013 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCSCC(F)(F)F ZINC000708501724 660924180 /nfs/dbraw/zinc/92/41/80/660924180.db2.gz IDHBEWMRSKPHCA-UHFFFAOYSA-N 1 1 301.280 3.056 20 10 DGCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@H](CF)C2)c1O ZINC000711501394 660955459 /nfs/dbraw/zinc/95/54/59/660955459.db2.gz DXMNGIIDMWRPKD-SNVBAGLBSA-N 1 1 302.187 3.255 20 10 DGCDMO CO[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792795306 660985345 /nfs/dbraw/zinc/98/53/45/660985345.db2.gz RVGMWWIBOYTTQQ-AWEZNQCLSA-N 1 1 316.367 3.382 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc3cn[nH]c3c2)c1 ZINC000793573599 661047104 /nfs/dbraw/zinc/04/71/04/661047104.db2.gz RSZBLRLJUGLPSM-GFCCVEGCSA-N 1 1 311.385 3.170 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1C(C)C ZINC000794661305 661097042 /nfs/dbraw/zinc/09/70/42/661097042.db2.gz HDJYCBQYZMVQGV-KXBFYZLASA-N 1 1 319.445 3.204 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cc1C(C)C ZINC000794661300 661097359 /nfs/dbraw/zinc/09/73/59/661097359.db2.gz HDJYCBQYZMVQGV-BEFAXECRSA-N 1 1 319.445 3.204 20 10 DGCDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000794706329 661100207 /nfs/dbraw/zinc/10/02/07/661100207.db2.gz OVZRDCCQHSSANP-CJNGLKHVSA-N 1 1 305.418 3.076 20 10 DGCDMO CC(=O)c1cc(F)cc(CN(C)CC[C@H]2CCCC[N@H+]2C)c1O ZINC000175740511 655541281 /nfs/dbraw/zinc/54/12/81/655541281.db2.gz QWMUTEGPZQTKTF-MRXNPFEDSA-N 1 1 322.424 3.040 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])CCCO1 ZINC000305961581 655572456 /nfs/dbraw/zinc/57/24/56/655572456.db2.gz PBSHMNPLLZSHCA-GFCCVEGCSA-N 1 1 314.223 3.156 20 10 DGCDMO CC[C@@H]1C[N@H+](Cc2cccc(Br)c2O)CCCO1 ZINC000305961581 655572457 /nfs/dbraw/zinc/57/24/57/655572457.db2.gz PBSHMNPLLZSHCA-GFCCVEGCSA-N 1 1 314.223 3.156 20 10 DGCDMO COc1cc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c(O)cc1C ZINC000795664479 661166320 /nfs/dbraw/zinc/16/63/20/661166320.db2.gz ANLCQGQFRKHXAD-HNNXBMFYSA-N 1 1 301.390 3.160 20 10 DGCDMO COc1cc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c(O)cc1C ZINC000795664479 661166322 /nfs/dbraw/zinc/16/63/22/661166322.db2.gz ANLCQGQFRKHXAD-HNNXBMFYSA-N 1 1 301.390 3.160 20 10 DGCDMO Cc1cc(O)c(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)cc1C ZINC000176068468 655731083 /nfs/dbraw/zinc/73/10/83/655731083.db2.gz LARQRAXNVMMICU-CYBMUJFWSA-N 1 1 316.367 3.077 20 10 DGCDMO C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000044534505 655772997 /nfs/dbraw/zinc/77/29/97/655772997.db2.gz CIPVCWMHIVLCSB-JTQLQIEISA-N 1 1 303.233 3.130 20 10 DGCDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000066080667 655931401 /nfs/dbraw/zinc/93/14/01/655931401.db2.gz GFNSENKXGVXBAU-CQSZACIVSA-N 1 1 312.413 3.023 20 10 DGCDMO COc1ccc(N2CCC[N@H+](Cc3ncc(C)s3)CC2)cc1 ZINC000180442256 655965730 /nfs/dbraw/zinc/96/57/30/655965730.db2.gz KLDSVLILTKSDJQ-UHFFFAOYSA-N 1 1 317.458 3.172 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3ncc(C)s3)CC2)cc1 ZINC000180442256 655965732 /nfs/dbraw/zinc/96/57/32/655965732.db2.gz KLDSVLILTKSDJQ-UHFFFAOYSA-N 1 1 317.458 3.172 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1ccc(F)cc1O ZINC000716177299 661219514 /nfs/dbraw/zinc/21/95/14/661219514.db2.gz MYURXIFNKRWCPQ-RHSMWYFYSA-N 1 1 314.404 3.456 20 10 DGCDMO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000191573351 656170696 /nfs/dbraw/zinc/17/06/96/656170696.db2.gz ZHBRARDJTKXZJG-CZUORRHYSA-N 1 1 303.377 3.094 20 10 DGCDMO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCCCO1 ZINC000125348956 656272949 /nfs/dbraw/zinc/27/29/49/656272949.db2.gz LUKGXISHJMNEBN-HNNXBMFYSA-N 1 1 307.434 3.396 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000840931200 656445687 /nfs/dbraw/zinc/44/56/87/656445687.db2.gz VBGZQFCIVYRFRK-UHFFFAOYSA-N 1 1 301.478 3.168 20 10 DGCDMO Cc1cc(N(C)C)ccc1CNC1CC[NH+](C2CCC2)CC1 ZINC000840931200 656445689 /nfs/dbraw/zinc/44/56/89/656445689.db2.gz VBGZQFCIVYRFRK-UHFFFAOYSA-N 1 1 301.478 3.168 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000724927925 656530668 /nfs/dbraw/zinc/53/06/68/656530668.db2.gz YHOJPXKCGLTMBD-AAEUAGOBSA-N 1 1 324.396 3.191 20 10 DGCDMO Cc1cccc(N2CC[NH+](Cc3cccc(F)c3O)CC2)c1 ZINC000317417086 656615155 /nfs/dbraw/zinc/61/51/55/656615155.db2.gz YILJQKGJRNYDJX-UHFFFAOYSA-N 1 1 300.377 3.162 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1O ZINC000178853602 657087842 /nfs/dbraw/zinc/08/78/42/657087842.db2.gz PCADMVKCIGKSJE-UHFFFAOYSA-N 1 1 316.357 3.249 20 10 DGCDMO CCC[N@H+](CC(=O)OC)Cc1ccc(N2CCCCC2)cc1 ZINC000178870202 657092353 /nfs/dbraw/zinc/09/23/53/657092353.db2.gz NMEXKJLJPLTRAP-UHFFFAOYSA-N 1 1 304.434 3.062 20 10 DGCDMO CCC[N@@H+](CC(=O)OC)Cc1ccc(N2CCCCC2)cc1 ZINC000178870202 657092357 /nfs/dbraw/zinc/09/23/57/657092357.db2.gz NMEXKJLJPLTRAP-UHFFFAOYSA-N 1 1 304.434 3.062 20 10 DGCDMO COc1cccc(CNC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1O ZINC000237214421 657382879 /nfs/dbraw/zinc/38/28/79/657382879.db2.gz SAKNMWJWPDWXBE-KDOFPFPSSA-N 1 1 306.450 3.001 20 10 DGCDMO COc1ccc(OC)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000163369875 658140655 /nfs/dbraw/zinc/14/06/55/658140655.db2.gz YYBFELZNERVNRG-UHFFFAOYSA-N 1 1 314.429 3.402 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1OC ZINC000128491734 658747966 /nfs/dbraw/zinc/74/79/66/658747966.db2.gz SQUJKDKXHSJIQT-UHFFFAOYSA-N 1 1 314.429 3.402 20 10 DGCDMO C[C@H]([NH2+]Cc1cccc(Br)c1O)c1ccccn1 ZINC000042411771 658772104 /nfs/dbraw/zinc/77/21/04/658772104.db2.gz YXUPCBXSCYRLKH-JTQLQIEISA-N 1 1 307.191 3.401 20 10 DGCDMO COc1cc(CN2CC[C@@H](C[NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000164392287 658930417 /nfs/dbraw/zinc/93/04/17/658930417.db2.gz LOSPKDPJDFBOEZ-AWEZNQCLSA-N 1 1 320.477 3.082 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000164601614 658938673 /nfs/dbraw/zinc/93/86/73/658938673.db2.gz RHIFCBHKJNVAFK-ZFWWWQNUSA-N 1 1 321.461 3.434 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCSC(C)(C)CC2)c1O ZINC000228089179 659173339 /nfs/dbraw/zinc/17/33/39/659173339.db2.gz XBAGJMIYJIJJKR-UHFFFAOYSA-N 1 1 311.422 3.451 20 10 DGCDMO COc1c(C)cnc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1C ZINC000171233922 659268494 /nfs/dbraw/zinc/26/84/94/659268494.db2.gz NXVUVEQJAIDIHC-UHFFFAOYSA-N 1 1 313.445 3.405 20 10 DGCDMO COCCOC[C@@H]1CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000173397750 659384322 /nfs/dbraw/zinc/38/43/22/659384322.db2.gz GPGQMOJRFOSVEA-MRXNPFEDSA-N 1 1 321.461 3.309 20 10 DGCDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2O)C1)c1ccccc1 ZINC000179566926 659933672 /nfs/dbraw/zinc/93/36/72/659933672.db2.gz MDIWJHYUMHKNBN-MRXNPFEDSA-N 1 1 324.424 3.034 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)c1O ZINC000179944581 659947380 /nfs/dbraw/zinc/94/73/80/659947380.db2.gz MRHMNNRNFXJDDM-UHFFFAOYSA-N 1 1 320.433 3.001 20 10 DGCDMO CC[N@H+](Cc1cc(F)ccc1O)C[C@H](O)c1ccc(C)cc1 ZINC000180195795 659955338 /nfs/dbraw/zinc/95/53/38/659955338.db2.gz PHZKVPWULMVWKX-SFHVURJKSA-N 1 1 303.377 3.395 20 10 DGCDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180253131 659957235 /nfs/dbraw/zinc/95/72/35/659957235.db2.gz PPLWDIJIROWFRF-VERVWZFWSA-N 1 1 321.417 3.462 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCc3c(cccc3OC)C2)c1O ZINC000181452369 660000641 /nfs/dbraw/zinc/00/06/41/660000641.db2.gz CBFRMBXDTMPRDS-UHFFFAOYSA-N 1 1 313.397 3.276 20 10 DGCDMO [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000070169475 660040224 /nfs/dbraw/zinc/04/02/24/660040224.db2.gz JJCVAQVYUPNASK-JTQLQIEISA-N 1 1 303.233 3.260 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000183209516 660104404 /nfs/dbraw/zinc/10/44/04/660104404.db2.gz HAEKMBQBTFCRDG-KRWDZBQOSA-N 1 1 317.360 3.193 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](c3ccn(C)n3)C2)cc1 ZINC000932136390 661541219 /nfs/dbraw/zinc/54/12/19/661541219.db2.gz MNYKJWCSQBWGPT-KRWDZBQOSA-N 1 1 312.461 3.256 20 10 DGCDMO CCCCCNC(=O)[C@@H](C)[N@@H+](CCC)Cc1ccccc1O ZINC000076073954 661966762 /nfs/dbraw/zinc/96/67/62/661966762.db2.gz YJKFXCGWICIEIR-OAHLLOKOSA-N 1 1 306.450 3.299 20 10 DGCDMO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](CCC)Cc1ccccc1O ZINC000076074408 661966895 /nfs/dbraw/zinc/96/68/95/661966895.db2.gz TVLNVRNFBVTWNR-CABCVRRESA-N 1 1 306.450 3.298 20 10 DGCDMO COC[C@@H]1C[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C[C@@H](C)O1 ZINC000190219216 662023236 /nfs/dbraw/zinc/02/32/36/662023236.db2.gz MQJZEDXUZGUWAE-ZBFHGGJFSA-N 1 1 307.434 3.060 20 10 DGCDMO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000191573314 662072707 /nfs/dbraw/zinc/07/27/07/662072707.db2.gz ZHBRARDJTKXZJG-BBRMVZONSA-N 1 1 303.377 3.094 20 10 DGCDMO CN(C)c1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000192920206 662115855 /nfs/dbraw/zinc/11/58/55/662115855.db2.gz IXLSBLCQJOEHIM-HXUWFJFHSA-N 1 1 323.484 3.364 20 10 DGCDMO Cc1ccc([C@@H](C)[NH2+]Cc2n[nH]cc2Br)c(O)c1 ZINC000718127173 662230038 /nfs/dbraw/zinc/23/00/38/662230038.db2.gz VCBPAFIGHRZOCQ-SECBINFHSA-N 1 1 310.195 3.037 20 10 DGCDMO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC[N@@H+]1C ZINC000090721731 662272931 /nfs/dbraw/zinc/27/29/31/662272931.db2.gz XBZUWVIBGDOXFQ-CABZTGNLSA-N 1 1 303.233 3.271 20 10 DGCDMO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC[N@H+]1C ZINC000090721731 662272933 /nfs/dbraw/zinc/27/29/33/662272933.db2.gz XBZUWVIBGDOXFQ-CABZTGNLSA-N 1 1 303.233 3.271 20 10 DGCDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000091919397 662324481 /nfs/dbraw/zinc/32/44/81/662324481.db2.gz FHCPYMMJZCKLPY-OAHLLOKOSA-N 1 1 306.425 3.284 20 10 DGCDMO C[N@H+](Cc1ccccc1O)Cc1cc(O)ccc1Br ZINC000091974559 662326048 /nfs/dbraw/zinc/32/60/48/662326048.db2.gz NKHIBQKHMVYMPG-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)Cc1cc(O)ccc1Br ZINC000091974559 662326050 /nfs/dbraw/zinc/32/60/50/662326050.db2.gz NKHIBQKHMVYMPG-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO c1ccc2c(c1)CCC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000093085115 662344025 /nfs/dbraw/zinc/34/40/25/662344025.db2.gz UTHNGWOSCKMIJY-UHFFFAOYSA-N 1 1 322.452 3.472 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)c1O ZINC000093476139 662355503 /nfs/dbraw/zinc/35/55/03/662355503.db2.gz GMFFFMKJPVEONF-MRXNPFEDSA-N 1 1 307.434 3.428 20 10 DGCDMO CCC[C@@]1([NH2+]Cc2cccc(Br)c2O)CCOC1 ZINC000378723741 685144656 /nfs/dbraw/zinc/14/46/56/685144656.db2.gz AGCWJXSDIQKKED-CQSZACIVSA-N 1 1 314.223 3.204 20 10 DGCDMO CC[N@@H+](Cc1cccc(Br)c1O)C[C@H](C)OC ZINC000383212534 685166775 /nfs/dbraw/zinc/16/67/75/685166775.db2.gz KDPIQTVKCZZQMK-JTQLQIEISA-N 1 1 302.212 3.012 20 10 DGCDMO CC[N@H+](Cc1cccc(Br)c1O)C[C@H](C)OC ZINC000383212534 685166776 /nfs/dbraw/zinc/16/67/76/685166776.db2.gz KDPIQTVKCZZQMK-JTQLQIEISA-N 1 1 302.212 3.012 20 10 DGCDMO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000383936772 685169409 /nfs/dbraw/zinc/16/94/09/685169409.db2.gz CYFVMAOFPWUYRU-MJGOQNOKSA-N 1 1 322.452 3.491 20 10 DGCDMO C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O ZINC000397773033 685231313 /nfs/dbraw/zinc/23/13/13/685231313.db2.gz VZNSGOUIQUBDIP-LLVKDONJSA-N 1 1 324.396 3.049 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc3[nH]ccc3c2)cc1 ZINC001578424776 1191942402 /nfs/dbraw/zinc/94/24/02/1191942402.db2.gz VGNTZLWHAZDCJK-SFHVURJKSA-N 1 1 308.429 3.024 20 10 DGCDMO CCOC(=O)C[N@H+](Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001341552610 1179026992 /nfs/dbraw/zinc/02/69/92/1179026992.db2.gz GHFHJAWAAXILPV-UHFFFAOYSA-N 1 1 304.434 3.060 20 10 DGCDMO CCOC(=O)C[N@@H+](Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001341552610 1179027001 /nfs/dbraw/zinc/02/70/01/1179027001.db2.gz GHFHJAWAAXILPV-UHFFFAOYSA-N 1 1 304.434 3.060 20 10 DGCDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001341568765 1179030209 /nfs/dbraw/zinc/03/02/09/1179030209.db2.gz DZWSEOIGNRARKO-QZTJIDSGSA-N 1 1 320.502 3.239 20 10 DGCDMO CCN(C)c1ccc(C[NH2+][C@@H](C)c2nnc3ccccn32)cc1 ZINC001343897963 1179346676 /nfs/dbraw/zinc/34/66/76/1179346676.db2.gz IAMAFMJIKXGMSQ-AWEZNQCLSA-N 1 1 309.417 3.036 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]2C1 ZINC001352114252 1180299209 /nfs/dbraw/zinc/29/92/09/1180299209.db2.gz ZKNRPPKWHDEAAS-HEHGZKQESA-N 1 1 308.853 3.208 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]2C1 ZINC001352114252 1180299214 /nfs/dbraw/zinc/29/92/14/1180299214.db2.gz ZKNRPPKWHDEAAS-HEHGZKQESA-N 1 1 308.853 3.208 20 10 DGCDMO COc1nsc(C[NH2+]Cc2ccc3c(c2)CCO3)c1Cl ZINC001560303161 1181604916 /nfs/dbraw/zinc/60/49/16/1181604916.db2.gz YNNJLLUATCTOIZ-UHFFFAOYSA-N 1 1 310.806 3.030 20 10 DGCDMO O=C(NCc1c(O)ccc2ccccc21)[C@H]1CC[N@H+]1C1CCCC1 ZINC001456307504 1182409516 /nfs/dbraw/zinc/40/95/16/1182409516.db2.gz CVTYZSBWGNFJHE-GOSISDBHSA-N 1 1 324.424 3.179 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C[C@H]2CCCC[C@H]2O)C2CC2)cc1 ZINC001459354819 1182582417 /nfs/dbraw/zinc/58/24/17/1182582417.db2.gz WXTJOFFMVFBWLA-VQIMIIECSA-N 1 1 302.462 3.268 20 10 DGCDMO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]1C ZINC001461002476 1182753682 /nfs/dbraw/zinc/75/36/82/1182753682.db2.gz WPPMLXIYQUWLKZ-MBOZVWFJSA-N 1 1 315.505 3.353 20 10 DGCDMO CC(C)C[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)N(C)C ZINC001461032465 1182758054 /nfs/dbraw/zinc/75/80/54/1182758054.db2.gz RNDRRUFYDVOGHM-AWEZNQCLSA-N 1 1 313.436 3.097 20 10 DGCDMO C[C@@H](CNCc1ccc2c(c1)CCCO2)[N@@H+]1CCCC[C@H]1C ZINC001461048760 1182760589 /nfs/dbraw/zinc/76/05/89/1182760589.db2.gz RTSOMCNFTJTJCJ-CVEARBPZSA-N 1 1 302.462 3.364 20 10 DGCDMO C[C@@H](CNCc1ccc2c(c1)CCCO2)[N@H+]1CCCC[C@H]1C ZINC001461048760 1182760596 /nfs/dbraw/zinc/76/05/96/1182760596.db2.gz RTSOMCNFTJTJCJ-CVEARBPZSA-N 1 1 302.462 3.364 20 10 DGCDMO CCOCCCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC001461063203 1182763228 /nfs/dbraw/zinc/76/32/28/1182763228.db2.gz FDNMEXCZGLOUGI-UHFFFAOYSA-N 1 1 316.239 3.369 20 10 DGCDMO COc1cc(C)c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c(O)c1 ZINC001461935532 1182881251 /nfs/dbraw/zinc/88/12/51/1182881251.db2.gz OBDSJRSXAVZZQW-MRXNPFEDSA-N 1 1 318.461 3.160 20 10 DGCDMO Cc1c(C[NH2+]Cc2cc(F)c(F)cc2O)cccc1[N+](=O)[O-] ZINC001462088288 1182905562 /nfs/dbraw/zinc/90/55/62/1182905562.db2.gz QUKYEZQMERPSQQ-UHFFFAOYSA-N 1 1 308.284 3.177 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001462438595 1182952659 /nfs/dbraw/zinc/95/26/59/1182952659.db2.gz DPLMXBYIYOJWFN-SFHVURJKSA-N 1 1 319.351 3.154 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001462438595 1182952663 /nfs/dbraw/zinc/95/26/63/1182952663.db2.gz DPLMXBYIYOJWFN-SFHVURJKSA-N 1 1 319.351 3.154 20 10 DGCDMO C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001462463387 1182956277 /nfs/dbraw/zinc/95/62/77/1182956277.db2.gz VBQKJLZCGOHQJM-BLLLJJGKSA-N 1 1 312.404 3.223 20 10 DGCDMO CN(C)c1ccc(C[N@H+](CC(=O)OC(C)(C)C)C2CCC2)cc1 ZINC001473595352 1183777944 /nfs/dbraw/zinc/77/79/44/1183777944.db2.gz CPVUYBWRKXBQSC-UHFFFAOYSA-N 1 1 318.461 3.449 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](CC(=O)OC(C)(C)C)C2CCC2)cc1 ZINC001473595352 1183777945 /nfs/dbraw/zinc/77/79/45/1183777945.db2.gz CPVUYBWRKXBQSC-UHFFFAOYSA-N 1 1 318.461 3.449 20 10 DGCDMO CC(C)C[C@@H](C[NH+]1CCCC1)NCc1ccc2c(c1)CCO2 ZINC001474155740 1183874784 /nfs/dbraw/zinc/87/47/84/1183874784.db2.gz NVTNYQJHYPVEKJ-SFHVURJKSA-N 1 1 302.462 3.222 20 10 DGCDMO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc3cncn3c2)cc1 ZINC001474173993 1183877240 /nfs/dbraw/zinc/87/72/40/1183877240.db2.gz HJIPDRZUIVDLHF-ARJAWSKDSA-N 1 1 306.413 3.203 20 10 DGCDMO COc1cc(C)c(CN(C)CC[C@H]2CCCC[N@@H+]2C)c(O)c1 ZINC001474350740 1183908606 /nfs/dbraw/zinc/90/86/06/1183908606.db2.gz OYULHLIQGSYOAK-OAHLLOKOSA-N 1 1 306.450 3.015 20 10 DGCDMO COc1cc(C)c(CN(C)CC[C@H]2CCCC[N@H+]2C)c(O)c1 ZINC001474350740 1183908608 /nfs/dbraw/zinc/90/86/08/1183908608.db2.gz OYULHLIQGSYOAK-OAHLLOKOSA-N 1 1 306.450 3.015 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CC[C@H]2C2CC2)c2cc(F)ccc2n1C ZINC001474537578 1183937267 /nfs/dbraw/zinc/93/72/67/1183937267.db2.gz OPTMHIRFURPSCD-HNNXBMFYSA-N 1 1 316.376 3.088 20 10 DGCDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3O)C2)n1 ZINC001474727655 1183968991 /nfs/dbraw/zinc/96/89/91/1183968991.db2.gz JCXZVEQNVGDIPS-LBPRGKRZSA-N 1 1 321.808 3.192 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CCC(C)(C)O2)cc1 ZINC001654113890 1195776030 /nfs/dbraw/zinc/77/60/30/1195776030.db2.gz BORYRPAMTUGOTH-KRWDZBQOSA-N 1 1 306.450 3.021 20 10 DGCDMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](C)CC(C)C ZINC001654806262 1195843185 /nfs/dbraw/zinc/84/31/85/1195843185.db2.gz STVXOWDASNVKLO-HNNXBMFYSA-N 1 1 307.434 3.440 20 10 DGCDMO CC[N@@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)OC)C(C)C ZINC001560729092 1189369095 /nfs/dbraw/zinc/36/90/95/1189369095.db2.gz UXGPXLPXDLAHOH-UHFFFAOYSA-N 1 1 306.381 3.334 20 10 DGCDMO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN2C(=O)OC(C)(C)C)c(O)c1 ZINC001561023942 1189422441 /nfs/dbraw/zinc/42/24/41/1189422441.db2.gz DYNWSNACVVTSOD-HNNXBMFYSA-N 1 1 320.433 3.142 20 10 DGCDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC001621112777 1193805310 /nfs/dbraw/zinc/80/53/10/1193805310.db2.gz HIZJRBNTKCMPCG-LBPRGKRZSA-N 1 1 311.809 3.129 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H]1n1ccnc1 ZINC001621157501 1193809595 /nfs/dbraw/zinc/80/95/95/1193809595.db2.gz MNSKINRTPOPQPJ-DOMZBBRYSA-N 1 1 305.809 3.325 20 10 DGCDMO CCCN1CCC([N@H+](C)Cc2c(C)cc(OC)cc2O)CC1 ZINC001621168852 1193812554 /nfs/dbraw/zinc/81/25/54/1193812554.db2.gz MMYFJCIMUHONBI-UHFFFAOYSA-N 1 1 306.450 3.015 20 10 DGCDMO CCCN1CCC([N@@H+](C)Cc2c(C)cc(OC)cc2O)CC1 ZINC001621168852 1193812560 /nfs/dbraw/zinc/81/25/60/1193812560.db2.gz MMYFJCIMUHONBI-UHFFFAOYSA-N 1 1 306.450 3.015 20 10 DGCDMO COc1c([O-])c(C[N@@H+](C)[C@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001621323385 1193830492 /nfs/dbraw/zinc/83/04/92/1193830492.db2.gz CCVQKDYAMRMRBF-YPMHNXCESA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+](C)[C@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001621323385 1193830495 /nfs/dbraw/zinc/83/04/95/1193830495.db2.gz CCVQKDYAMRMRBF-YPMHNXCESA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)[C@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001621323385 1193830496 /nfs/dbraw/zinc/83/04/96/1193830496.db2.gz CCVQKDYAMRMRBF-YPMHNXCESA-N 1 1 308.378 3.320 20 10 DGCDMO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2cc(F)c(F)cc2O)cc1 ZINC001621411042 1193839156 /nfs/dbraw/zinc/83/91/56/1193839156.db2.gz PGVXTAMNYJHCCO-PIGZYNQJSA-N 1 1 307.340 3.191 20 10 DGCDMO COc1cc(CC[NH2+]Cc2cc(F)c(F)cc2O)cc(OC)c1 ZINC001621571366 1193860334 /nfs/dbraw/zinc/86/03/34/1193860334.db2.gz SHNUXKJNYMNVRX-UHFFFAOYSA-N 1 1 323.339 3.020 20 10 DGCDMO Cc1c([C@@H](C)[NH2+]Cc2cccc(Br)c2O)cnn1C ZINC000048797121 1194491654 /nfs/dbraw/zinc/49/16/54/1194491654.db2.gz VSAHEXJHMWFXNN-SECBINFHSA-N 1 1 324.222 3.047 20 10 DGCDMO CCCC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCC1 ZINC001650771303 1195380198 /nfs/dbraw/zinc/38/01/98/1195380198.db2.gz AJFLGFZGKDUZEH-UHFFFAOYSA-N 1 1 315.505 3.498 20 10 DGCDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC001652474666 1195604238 /nfs/dbraw/zinc/60/42/38/1195604238.db2.gz MTTNPCVRNYPVSD-ROUUACIJSA-N 1 1 302.462 3.450 20 10 DGCDMO COc1cccc([C@H](C[NH2+]Cc2cc(F)c(F)cc2O)OC)c1 ZINC001652865449 1195664305 /nfs/dbraw/zinc/66/43/05/1195664305.db2.gz HAXIGRCTCAVALB-KRWDZBQOSA-N 1 1 323.339 3.156 20 10 DGCDMO COc1c(O)c(C[NH2+]CCCc2ccsc2)ccc1[N+](=O)[O-] ZINC001653266626 1195704939 /nfs/dbraw/zinc/70/49/39/1195704939.db2.gz XEYBPBPQCFZWEH-UHFFFAOYSA-N 1 1 322.386 3.093 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](CCC(=O)OC)C2)cc1 ZINC001654691879 1195830617 /nfs/dbraw/zinc/83/06/17/1195830617.db2.gz BQJVOZAQPQHKFB-INIZCTEOSA-N 1 1 318.461 3.308 20 10 DGCDMO COc1ccc([N@H+](CCCCCNC(C)=O)CC(C)C)cc1 ZINC001654766802 1195837811 /nfs/dbraw/zinc/83/78/11/1195837811.db2.gz BEAAPTRKSLOUSH-UHFFFAOYSA-N 1 1 306.450 3.464 20 10 DGCDMO COc1ccc([N@@H+](CCCCCNC(C)=O)CC(C)C)cc1 ZINC001654766802 1195837818 /nfs/dbraw/zinc/83/78/18/1195837818.db2.gz BEAAPTRKSLOUSH-UHFFFAOYSA-N 1 1 306.450 3.464 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](CC(=O)OC)C2CCCCC2)cc1 ZINC001655013044 1195865307 /nfs/dbraw/zinc/86/53/07/1195865307.db2.gz BLSRONAQFJJYSI-UHFFFAOYSA-N 1 1 318.461 3.450 20 10 DGCDMO CCOCc1cc(CNCC2([NH+](C)C)CCCC2)ccc1OC ZINC001655209649 1195891481 /nfs/dbraw/zinc/89/14/81/1195891481.db2.gz VYYXXFGNLFRQEE-UHFFFAOYSA-N 1 1 320.477 3.196 20 10 DGCDMO C[C@@H]1CCC[N@H+](CCNCc2ccc(N3CCCC3)cc2)C1 ZINC001656044955 1195990816 /nfs/dbraw/zinc/99/08/16/1195990816.db2.gz SSDJFOIDNKHUES-QGZVFWFLSA-N 1 1 301.478 3.108 20 10 DGCDMO C[C@@H]1CCC[N@@H+](CCNCc2ccc(N3CCCC3)cc2)C1 ZINC001656044955 1195990823 /nfs/dbraw/zinc/99/08/23/1195990823.db2.gz SSDJFOIDNKHUES-QGZVFWFLSA-N 1 1 301.478 3.108 20 10 DGCDMO CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001657000128 1196091280 /nfs/dbraw/zinc/09/12/80/1196091280.db2.gz MJOJXZDLKMJHHB-LLVKDONJSA-N 1 1 300.805 3.006 20 10 DGCDMO CO[C@@H](Cc1ccccc1)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001657168874 1196114254 /nfs/dbraw/zinc/11/42/54/1196114254.db2.gz FPVKLDPNOAYVFD-FQEVSTJZSA-N 1 1 312.457 3.442 20 10 DGCDMO COc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)c(F)cc1O)CCO2 ZINC001657657878 1196166052 /nfs/dbraw/zinc/16/60/52/1196166052.db2.gz OYKRALJFKORIEK-OAHLLOKOSA-N 1 1 321.323 3.292 20 10 DGCDMO OC[C@H](CC1CCCC1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001657904346 1196192035 /nfs/dbraw/zinc/19/20/35/1196192035.db2.gz CODPXKCQAUPHOH-LBPRGKRZSA-N 1 1 301.789 3.216 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001657953702 1196196243 /nfs/dbraw/zinc/19/62/43/1196196243.db2.gz CJOOQGLTYSTXST-IYBDPMFKSA-N 1 1 320.477 3.057 20 10 DGCDMO CC(C)[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)C1(CO)CC=CC1 ZINC001658410844 1196253191 /nfs/dbraw/zinc/25/31/91/1196253191.db2.gz LQTLBJQDRJBATH-MRXNPFEDSA-N 1 1 311.372 3.113 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c1 ZINC001659095510 1196344377 /nfs/dbraw/zinc/34/43/77/1196344377.db2.gz JODSHYKTCVYPQM-OAHLLOKOSA-N 1 1 316.445 3.006 20 10 DGCDMO CCc1cccc(C[N@H+]2CCN(C)[C@H](Cc3ccccc3)C2)c1O ZINC001659161019 1196354494 /nfs/dbraw/zinc/35/44/94/1196354494.db2.gz BAGHMDDCAGHJOQ-HXUWFJFHSA-N 1 1 324.468 3.313 20 10 DGCDMO CC(C)OC[C@H]1C[N@H+](Cc2cc(C(C)C)ccc2O)CCO1 ZINC001659509632 1196390029 /nfs/dbraw/zinc/39/00/29/1196390029.db2.gz DUUCKNDPKQZGHO-QGZVFWFLSA-N 1 1 307.434 3.141 20 10 DGCDMO CC(C)OC[C@H]1C[N@@H+](Cc2cc(C(C)C)ccc2O)CCO1 ZINC001659509632 1196390034 /nfs/dbraw/zinc/39/00/34/1196390034.db2.gz DUUCKNDPKQZGHO-QGZVFWFLSA-N 1 1 307.434 3.141 20 10 DGCDMO Cc1cc(N(C)C)ccc1CN[C@H](C)C[NH+]1CCC(C)CC1 ZINC001659653359 1196402623 /nfs/dbraw/zinc/40/26/23/1196402623.db2.gz ZLQMAODYEMEEQW-QGZVFWFLSA-N 1 1 303.494 3.271 20 10 DGCDMO Cn1nc2c(c1C[N@@H+](C)Cc1ccc(N3CCCC3)cc1)CCC2 ZINC001659723348 1196408685 /nfs/dbraw/zinc/40/86/85/1196408685.db2.gz JCBIZYOVEYNFSC-UHFFFAOYSA-N 1 1 324.472 3.141 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1 ZINC001659826420 1196418320 /nfs/dbraw/zinc/41/83/20/1196418320.db2.gz ADEGYIHLPBLMTA-INIZCTEOSA-N 1 1 320.433 3.178 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC001659831946 1196419580 /nfs/dbraw/zinc/41/95/80/1196419580.db2.gz CGCBQTBNUVZHSW-WBVHZDCISA-N 1 1 305.324 3.290 20 10 DGCDMO CCC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CCC1 ZINC001659915276 1196428732 /nfs/dbraw/zinc/42/87/32/1196428732.db2.gz NTIISOSXAFTBKM-FQEVSTJZSA-N 1 1 315.505 3.497 20 10 DGCDMO CCOC(=O)C(CC)(CC)C[NH2+]Cc1cc(F)c(F)cc1O ZINC001660423613 1196481716 /nfs/dbraw/zinc/48/17/16/1196481716.db2.gz QLCQIQYXJNWPOG-UHFFFAOYSA-N 1 1 315.360 3.130 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCOc1ccc2c(c1)CCC2 ZINC001661070916 1196561793 /nfs/dbraw/zinc/56/17/93/1196561793.db2.gz VUSROMFHYXHJHN-UHFFFAOYSA-N 1 1 319.351 3.328 20 10 DGCDMO CN1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])Cc2ccccc21 ZINC001663903921 1196956429 /nfs/dbraw/zinc/95/64/29/1196956429.db2.gz UPGIUHNZUCDZRL-UHFFFAOYSA-N 1 1 304.340 3.122 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C)c(OC)n1 ZINC001664114227 1196972286 /nfs/dbraw/zinc/97/22/86/1196972286.db2.gz FVYCNNAOZCJRBL-UHFFFAOYSA-N 1 1 313.445 3.487 20 10 DGCDMO Cc1ccc(C[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c(O)c1 ZINC001664978921 1197082359 /nfs/dbraw/zinc/08/23/59/1197082359.db2.gz MFMNQSYUXFMZNG-ZDUSSCGKSA-N 1 1 305.418 3.395 20 10 DGCDMO Cc1ccc(C[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c(O)c1 ZINC001664978921 1197082365 /nfs/dbraw/zinc/08/23/65/1197082365.db2.gz MFMNQSYUXFMZNG-ZDUSSCGKSA-N 1 1 305.418 3.395 20 10 DGCDMO COc1ccc2c(c1)C[C@H]([NH2+]Cc1c(O)cccc1F)CC2 ZINC001665712386 1197179609 /nfs/dbraw/zinc/17/96/09/1197179609.db2.gz NKABFBOENUYPFN-CQSZACIVSA-N 1 1 301.361 3.187 20 10 DGCDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(OC)cc1O ZINC000120040493 1200129194 /nfs/dbraw/zinc/12/91/94/1200129194.db2.gz CNTLTIUTQNIOHH-UHFFFAOYSA-N 1 1 315.369 3.152 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)CC2CCC2)cc1Br ZINC001233139844 1098236357 /nfs/dbraw/zinc/23/63/57/1098236357.db2.gz RAIFSOLRTFHEIH-UHFFFAOYSA-N 1 1 314.223 3.395 20 10 DGCDMO C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])[C@H]1CO ZINC001236794149 1099786660 /nfs/dbraw/zinc/78/66/60/1099786660.db2.gz QEEATGNXDMPRRV-ZANVPECISA-N 1 1 304.217 3.292 20 10 DGCDMO C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)[C@H]1CO ZINC001236794149 1099786681 /nfs/dbraw/zinc/78/66/81/1099786681.db2.gz QEEATGNXDMPRRV-ZANVPECISA-N 1 1 304.217 3.292 20 10 DGCDMO CN(c1ccc2c(c1)CN(Cc1ccccc1)C2)C(C)(C)C[NH3+] ZINC001170059875 1081972349 /nfs/dbraw/zinc/97/23/49/1081972349.db2.gz WRPYVYSHADBXBA-UHFFFAOYSA-N 1 1 309.457 3.376 20 10 DGCDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)no1 ZINC001140337776 1082143145 /nfs/dbraw/zinc/14/31/45/1082143145.db2.gz DQBOZIDKEJZKMC-LLVKDONJSA-N 1 1 307.781 3.117 20 10 DGCDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001170272609 1082332387 /nfs/dbraw/zinc/33/23/87/1082332387.db2.gz JYISGVYZFIOXEY-HNNXBMFYSA-N 1 1 324.852 3.164 20 10 DGCDMO C[N@@H+](CCOC(C)(C)C)Cc1cccc(Br)c1[O-] ZINC000690116471 1082946898 /nfs/dbraw/zinc/94/68/98/1082946898.db2.gz XCHHPTWUMXCURT-UHFFFAOYSA-N 1 1 316.239 3.402 20 10 DGCDMO C[N@H+](CCOC(C)(C)C)Cc1cccc(Br)c1O ZINC000690116471 1082946905 /nfs/dbraw/zinc/94/69/05/1082946905.db2.gz XCHHPTWUMXCURT-UHFFFAOYSA-N 1 1 316.239 3.402 20 10 DGCDMO C[N@@H+](CCOC(C)(C)C)Cc1cccc(Br)c1O ZINC000690116471 1082946907 /nfs/dbraw/zinc/94/69/07/1082946907.db2.gz XCHHPTWUMXCURT-UHFFFAOYSA-N 1 1 316.239 3.402 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C[C@H](C)O1 ZINC000694871981 1083151045 /nfs/dbraw/zinc/15/10/45/1083151045.db2.gz SDXURZIWWVKYMN-MNOVXSKESA-N 1 1 314.223 3.154 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C[C@H](C)O1 ZINC000694871981 1083151048 /nfs/dbraw/zinc/15/10/48/1083151048.db2.gz SDXURZIWWVKYMN-MNOVXSKESA-N 1 1 314.223 3.154 20 10 DGCDMO CO[C@@H](C[NH2+]Cc1cc(F)c(F)cc1O)Cc1ccccc1 ZINC001181901105 1083576279 /nfs/dbraw/zinc/57/62/79/1083576279.db2.gz PTWHQUUUBXXXRP-CQSZACIVSA-N 1 1 307.340 3.018 20 10 DGCDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001182173845 1083627806 /nfs/dbraw/zinc/62/78/06/1083627806.db2.gz MCCCTHFDWZLDHY-INIZCTEOSA-N 1 1 320.433 3.226 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001204325107 1083646858 /nfs/dbraw/zinc/64/68/58/1083646858.db2.gz QWQKIINKUCOTCU-LJQANCHMSA-N 1 1 300.446 3.289 20 10 DGCDMO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC001182346315 1083695207 /nfs/dbraw/zinc/69/52/07/1083695207.db2.gz WGVMOCRTMIGKQU-QGZVFWFLSA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1ccc(CN2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC001182346315 1083695212 /nfs/dbraw/zinc/69/52/12/1083695212.db2.gz WGVMOCRTMIGKQU-QGZVFWFLSA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1 ZINC001182346315 1083695215 /nfs/dbraw/zinc/69/52/15/1083695215.db2.gz WGVMOCRTMIGKQU-QGZVFWFLSA-N 1 1 310.441 3.407 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)c1O ZINC001203585540 1084155798 /nfs/dbraw/zinc/15/57/98/1084155798.db2.gz OWHYYUYVLBZVGY-CYBMUJFWSA-N 1 1 307.287 3.125 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@@]1(O)C(F)(F)F ZINC001203651815 1084739539 /nfs/dbraw/zinc/73/95/39/1084739539.db2.gz XMIHREVPGDCVCO-RNCFNFMXSA-N 1 1 323.742 3.181 20 10 DGCDMO CN(C)c1ccc(CN(C)C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168388098 1087547962 /nfs/dbraw/zinc/54/79/62/1087547962.db2.gz BFGHBSNEKMSFRE-UHFFFAOYSA-N 1 1 301.478 3.059 20 10 DGCDMO CN(C)c1ccc(C[N@H+](C)C2CCN(CC3CC3)CC2)cc1 ZINC001168388098 1087547963 /nfs/dbraw/zinc/54/79/63/1087547963.db2.gz BFGHBSNEKMSFRE-UHFFFAOYSA-N 1 1 301.478 3.059 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C2CCN(CC3CC3)CC2)cc1 ZINC001168388098 1087547965 /nfs/dbraw/zinc/54/79/65/1087547965.db2.gz BFGHBSNEKMSFRE-UHFFFAOYSA-N 1 1 301.478 3.059 20 10 DGCDMO Oc1cc2c(cc1O)CN(c1ccc3c([nH+]1)CCCC3)CCC2 ZINC001155941711 1089304948 /nfs/dbraw/zinc/30/49/48/1089304948.db2.gz WNRZSGPWJQLHMN-UHFFFAOYSA-N 1 1 310.397 3.324 20 10 DGCDMO C[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)[C@@H]1CO ZINC001237077699 1090283652 /nfs/dbraw/zinc/28/36/52/1090283652.db2.gz JNDADOPHGALDSG-JOYOIKCWSA-N 1 1 304.217 3.292 20 10 DGCDMO C[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)[C@@H]1CO ZINC001237077699 1090283659 /nfs/dbraw/zinc/28/36/59/1090283659.db2.gz JNDADOPHGALDSG-JOYOIKCWSA-N 1 1 304.217 3.292 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)CC[C@@]1(C)O ZINC001237121376 1090286200 /nfs/dbraw/zinc/28/62/00/1090286200.db2.gz LPLWUWCADXRFFB-MEBBXXQBSA-N 1 1 301.789 3.168 20 10 DGCDMO CC[NH+]1CCC([N@H+](C)Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237798648 1090326584 /nfs/dbraw/zinc/32/65/84/1090326584.db2.gz KDSJLNCCXAGXTK-UHFFFAOYSA-N 1 1 300.805 3.101 20 10 DGCDMO CC[NH+]1CCC([N@@H+](C)Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237798648 1090326589 /nfs/dbraw/zinc/32/65/89/1090326589.db2.gz KDSJLNCCXAGXTK-UHFFFAOYSA-N 1 1 300.805 3.101 20 10 DGCDMO COc1cccc([C@@H]2CC[N@@H+](Cc3cccc(OC)c3O)C2)c1 ZINC001203601769 1090765540 /nfs/dbraw/zinc/76/55/40/1090765540.db2.gz KNFFTPYSJKZVCF-OAHLLOKOSA-N 1 1 313.397 3.399 20 10 DGCDMO CCOc1cccc(C[N@@H+](C(C)C)C2CCN(C)CC2)c1O ZINC001203617902 1090767155 /nfs/dbraw/zinc/76/71/55/1090767155.db2.gz XOKNSWAOMMTUER-UHFFFAOYSA-N 1 1 306.450 3.096 20 10 DGCDMO C[C@]1(CF)CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC001203636127 1090771175 /nfs/dbraw/zinc/77/11/75/1090771175.db2.gz PJVVBFVNJGLRPO-CYBMUJFWSA-N 1 1 302.187 3.336 20 10 DGCDMO Cc1cnccc1O[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665431 1090775394 /nfs/dbraw/zinc/77/53/94/1090775394.db2.gz JUDSMXOIPDYIMC-HNNXBMFYSA-N 1 1 318.804 3.402 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001203665237 1090775518 /nfs/dbraw/zinc/77/55/18/1090775518.db2.gz DKNIGCWXWYWATF-INIZCTEOSA-N 1 1 318.804 3.484 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)c1 ZINC001203670756 1090777144 /nfs/dbraw/zinc/77/71/44/1090777144.db2.gz ZPNWMEPSVFXCQM-CYBMUJFWSA-N 1 1 307.287 3.125 20 10 DGCDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1cc(OC)ccc1O ZINC001203680370 1090778805 /nfs/dbraw/zinc/77/88/05/1090778805.db2.gz RWFZVGGRZFZSRU-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCOC[C@H]2C2CCCCC2)c1 ZINC001203680840 1090779030 /nfs/dbraw/zinc/77/90/30/1090779030.db2.gz GZHAKXGZCIWQJP-KRWDZBQOSA-N 1 1 305.418 3.182 20 10 DGCDMO CCCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)ccc2O)CC1 ZINC001203684234 1090780000 /nfs/dbraw/zinc/78/00/00/1090780000.db2.gz PIFWKKITJXIDMP-UHFFFAOYSA-N 1 1 306.450 3.097 20 10 DGCDMO CCCC[NH+]1CCC(N(C)Cc2cc(OC)ccc2O)CC1 ZINC001203684234 1090780007 /nfs/dbraw/zinc/78/00/07/1090780007.db2.gz PIFWKKITJXIDMP-UHFFFAOYSA-N 1 1 306.450 3.097 20 10 DGCDMO COc1cccc([C@@H]2CC[N@@H+](Cc3cc(OC)ccc3O)C2)c1 ZINC001203681466 1090780063 /nfs/dbraw/zinc/78/00/63/1090780063.db2.gz YLZXUEJSQYNDHQ-OAHLLOKOSA-N 1 1 313.397 3.399 20 10 DGCDMO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)c1 ZINC001203874072 1090825000 /nfs/dbraw/zinc/82/50/00/1090825000.db2.gz MWPNYXPNWQXBRM-UHFFFAOYSA-N 1 1 312.413 3.037 20 10 DGCDMO Oc1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1O ZINC001203882339 1090826215 /nfs/dbraw/zinc/82/62/15/1090826215.db2.gz HNSKEJUSEXRTJC-OAHLLOKOSA-N 1 1 301.411 3.388 20 10 DGCDMO Oc1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1O ZINC001203882339 1090826219 /nfs/dbraw/zinc/82/62/19/1090826219.db2.gz HNSKEJUSEXRTJC-OAHLLOKOSA-N 1 1 301.411 3.388 20 10 DGCDMO COc1cccc([C@H]2CCC[N@@H+](Cc3ccc(O)c(O)c3)C2)c1 ZINC001203881650 1090826365 /nfs/dbraw/zinc/82/63/65/1090826365.db2.gz SDYMUCNKASJAKR-INIZCTEOSA-N 1 1 313.397 3.486 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)cc1 ZINC001203929930 1090841361 /nfs/dbraw/zinc/84/13/61/1090841361.db2.gz JHLQIKUQXBKVTD-AWEZNQCLSA-N 1 1 304.331 3.477 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@](O)(CF)CC2)cc1 ZINC001203937287 1090844503 /nfs/dbraw/zinc/84/45/03/1090844503.db2.gz UEMDYIHVSLUDTE-GOSISDBHSA-N 1 1 308.441 3.219 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCN3CCc4ccccc4[C@@H]3C2)cc1 ZINC001203937644 1090844643 /nfs/dbraw/zinc/84/46/43/1090844643.db2.gz IMIGFLORZAZHOV-NRFANRHFSA-N 1 1 321.468 3.168 20 10 DGCDMO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(CC)CC)cc1 ZINC001203941679 1090845110 /nfs/dbraw/zinc/84/51/10/1090845110.db2.gz FGIJQWZLHKILHJ-KRWDZBQOSA-N 1 1 304.434 3.060 20 10 DGCDMO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N(CC)CC)cc1 ZINC001203941679 1090845120 /nfs/dbraw/zinc/84/51/20/1090845120.db2.gz FGIJQWZLHKILHJ-KRWDZBQOSA-N 1 1 304.434 3.060 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)cc1 ZINC001203946501 1090848686 /nfs/dbraw/zinc/84/86/86/1090848686.db2.gz UNNQZCIAYVZGDX-AEFFLSMTSA-N 1 1 300.446 3.334 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c2ccccc21 ZINC001204240019 1090931264 /nfs/dbraw/zinc/93/12/64/1090931264.db2.gz GGFWILMHSOMVPJ-IRXDYDNUSA-N 1 1 310.441 3.374 20 10 DGCDMO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc(N(C)C)c4ccccc34)C[C@H]12 ZINC001204240504 1090932317 /nfs/dbraw/zinc/93/23/17/1090932317.db2.gz VVFGHLXEWVFFRK-LXGCGDOSSA-N 1 1 310.441 3.373 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(O)cc1O ZINC001204277273 1090938194 /nfs/dbraw/zinc/93/81/94/1090938194.db2.gz ASLSFZUDNKOMBQ-UHFFFAOYSA-N 1 1 300.402 3.186 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001204324796 1090949110 /nfs/dbraw/zinc/94/91/10/1090949110.db2.gz OVVWCXRZCIXMEW-HKUYNNGSSA-N 1 1 300.446 3.288 20 10 DGCDMO CN(CCC[NH+]1CCCC1)Cc1ccc(N2CCCC2)cc1 ZINC001204327004 1090949787 /nfs/dbraw/zinc/94/97/87/1090949787.db2.gz LFTQHVOUJRJPGE-UHFFFAOYSA-N 1 1 301.478 3.205 20 10 DGCDMO c1cnc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)cn1 ZINC001204327576 1090950783 /nfs/dbraw/zinc/95/07/83/1090950783.db2.gz ZLEHBUNGPZWLIS-LJQANCHMSA-N 1 1 308.429 3.414 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cc(O)c1O ZINC001204341672 1090951716 /nfs/dbraw/zinc/95/17/16/1090951716.db2.gz FKUXQGVOIMHUIN-MRXNPFEDSA-N 1 1 313.397 3.486 20 10 DGCDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(O)c(O)c(OC)c1 ZINC001204348597 1090952991 /nfs/dbraw/zinc/95/29/91/1090952991.db2.gz DYPZWDPPHQOZHS-UHFFFAOYSA-N 1 1 317.385 3.137 20 10 DGCDMO C[C@@H]1C[NH+](Cc2cc(F)c(N(C)C)cc2F)C[C@@H](C)S1 ZINC001204489130 1090981815 /nfs/dbraw/zinc/98/18/15/1090981815.db2.gz QNFAFMIUJSWBSW-GHMZBOCLSA-N 1 1 300.418 3.357 20 10 DGCDMO COC(=O)C[N@@H+](Cc1cc(C(C)C)ccc1O)C1CCCC1 ZINC001204567002 1091001717 /nfs/dbraw/zinc/00/17/17/1091001717.db2.gz ZIVVONFAUVSCMQ-UHFFFAOYSA-N 1 1 305.418 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001204852006 1091047971 /nfs/dbraw/zinc/04/79/71/1091047971.db2.gz UNNLAHQAIZODKV-LLVKDONJSA-N 1 1 321.783 3.354 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001204852006 1091047976 /nfs/dbraw/zinc/04/79/76/1091047976.db2.gz UNNLAHQAIZODKV-LLVKDONJSA-N 1 1 321.783 3.354 20 10 DGCDMO OCc1csc(C[N@@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC001204915408 1091061357 /nfs/dbraw/zinc/06/13/57/1091061357.db2.gz JWLSPXFKYIPPAN-UHFFFAOYSA-N 1 1 318.442 3.286 20 10 DGCDMO O=c1[nH]ccc2c1CC[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138221044 1091119426 /nfs/dbraw/zinc/11/94/26/1091119426.db2.gz YEAILOTWHRLPCG-UHFFFAOYSA-N 1 1 323.440 3.336 20 10 DGCDMO Cc1c(C[N@@H+](C)[C@H]2CCC3(C2)OCCO3)c2ccccc2n1C ZINC001138260137 1091127223 /nfs/dbraw/zinc/12/72/23/1091127223.db2.gz WDCICDUHEUDJKV-HNNXBMFYSA-N 1 1 314.429 3.214 20 10 DGCDMO CC1(C)CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138336516 1091145372 /nfs/dbraw/zinc/14/53/72/1091145372.db2.gz BSYMPOJKXJTAJN-UHFFFAOYSA-N 1 1 300.446 3.323 20 10 DGCDMO Oc1c(C[N@H+]2CCCC[C@H](F)C2)cc2c3c1CCCN3CCC2 ZINC001138338351 1091146341 /nfs/dbraw/zinc/14/63/41/1091146341.db2.gz PFNGEXJNTYFWCK-INIZCTEOSA-N 1 1 318.436 3.415 20 10 DGCDMO CC[C@@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138341305 1091146907 /nfs/dbraw/zinc/14/69/07/1091146907.db2.gz MQFQRFPVNPWRLY-CQSZACIVSA-N 1 1 300.446 3.323 20 10 DGCDMO CN1CCCc2cc(C[N@@H+](CCO)Cc3ccccc3)ccc21 ZINC001138353979 1091149631 /nfs/dbraw/zinc/14/96/31/1091149631.db2.gz OTSNIJQBTBWIBK-UHFFFAOYSA-N 1 1 310.441 3.064 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CC[C@H]4CCCO[C@@H]4C3)ccc21 ZINC001138355861 1091149662 /nfs/dbraw/zinc/14/96/62/1091149662.db2.gz XEJBAYUKSJTJRB-VQIMIIECSA-N 1 1 300.446 3.070 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CCC[C@@](C)(CO)CC3)ccc21 ZINC001138354797 1091150063 /nfs/dbraw/zinc/15/00/63/1091150063.db2.gz VFDILHIOZAJELN-LJQANCHMSA-N 1 1 302.462 3.054 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CCc4c(O)cccc4C3)ccc21 ZINC001138354705 1091150915 /nfs/dbraw/zinc/15/09/15/1091150915.db2.gz QUZRFMNIHRFPIV-UHFFFAOYSA-N 1 1 308.425 3.333 20 10 DGCDMO Cc1ccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)c(O)c1 ZINC001205254358 1091151356 /nfs/dbraw/zinc/15/13/56/1091151356.db2.gz ZSEBGMDYSPPEJO-LJQANCHMSA-N 1 1 311.425 3.474 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CC[C@@H](c4cccnc4)C3)ccc21 ZINC001138358427 1091152603 /nfs/dbraw/zinc/15/26/03/1091152603.db2.gz RBNXDRGFSAHQDC-LJQANCHMSA-N 1 1 307.441 3.454 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@H](C)C2)c(OC)c1 ZINC001138385832 1091161326 /nfs/dbraw/zinc/16/13/26/1091161326.db2.gz AIMKVNWXDVCFHK-OAHLLOKOSA-N 1 1 306.450 3.010 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCCC(=O)[C@H](C)C2)c(OC)c1 ZINC001138386865 1091163217 /nfs/dbraw/zinc/16/32/17/1091163217.db2.gz YKNAWPGRTGUIGR-OAHLLOKOSA-N 1 1 318.461 3.342 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC(=O)[C@H](C)C2)c(OC)c1 ZINC001138386865 1091163224 /nfs/dbraw/zinc/16/32/24/1091163224.db2.gz YKNAWPGRTGUIGR-OAHLLOKOSA-N 1 1 318.461 3.342 20 10 DGCDMO CC(C)(C)OC(=O)C1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137837922 1091209210 /nfs/dbraw/zinc/20/92/10/1091209210.db2.gz ZGSGJFCQDMZYRM-UHFFFAOYSA-N 1 1 309.381 3.085 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC[C@@H]1C[NH3+] ZINC001205638466 1091292891 /nfs/dbraw/zinc/29/28/91/1091292891.db2.gz OGRFWSGNYOTUFI-HUUCEWRRSA-N 1 1 304.478 3.497 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC[C@@H]1C[NH3+] ZINC001205638466 1091292901 /nfs/dbraw/zinc/29/29/01/1091292901.db2.gz OGRFWSGNYOTUFI-HUUCEWRRSA-N 1 1 304.478 3.497 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC[C@H]1C[NH3+] ZINC001205638464 1091293000 /nfs/dbraw/zinc/29/30/00/1091293000.db2.gz OGRFWSGNYOTUFI-CABCVRRESA-N 1 1 304.478 3.497 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC[C@H]1C[NH3+] ZINC001205638464 1091293011 /nfs/dbraw/zinc/29/30/11/1091293011.db2.gz OGRFWSGNYOTUFI-CABCVRRESA-N 1 1 304.478 3.497 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC[C@@H]1C[NH3+] ZINC001205638615 1091293272 /nfs/dbraw/zinc/29/32/72/1091293272.db2.gz PYMHIKXTIDKSDM-VXGBXAGGSA-N 1 1 316.367 3.218 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC[C@@H]1C[NH3+] ZINC001205638615 1091293277 /nfs/dbraw/zinc/29/32/77/1091293277.db2.gz PYMHIKXTIDKSDM-VXGBXAGGSA-N 1 1 316.367 3.218 20 10 DGCDMO CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(F)c(F)c1[O-] ZINC001205692601 1091315141 /nfs/dbraw/zinc/31/51/41/1091315141.db2.gz GTKQQEQSXYBDCH-UHFFFAOYSA-N 1 1 300.393 3.224 20 10 DGCDMO CC(C)(C)c1ccc(O)c(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205786771 1091348522 /nfs/dbraw/zinc/34/85/22/1091348522.db2.gz BGCCMPUNSYBVFW-AWEZNQCLSA-N 1 1 312.404 3.106 20 10 DGCDMO C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806312 1091357464 /nfs/dbraw/zinc/35/74/64/1091357464.db2.gz TWRVAYNAJJENEU-WBVHZDCISA-N 1 1 311.473 3.465 20 10 DGCDMO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806312 1091357491 /nfs/dbraw/zinc/35/74/91/1091357491.db2.gz TWRVAYNAJJENEU-WBVHZDCISA-N 1 1 311.473 3.465 20 10 DGCDMO Cc1cc(O)c(CN2CC[N@H+](C3CC3)C[C@H](C)C2)c(Cl)c1 ZINC001206039893 1091465076 /nfs/dbraw/zinc/46/50/76/1091465076.db2.gz LSDSDXUBULDXGQ-CYBMUJFWSA-N 1 1 308.853 3.270 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCN(C3CC3)C[C@H](C)C2)c(Cl)c1 ZINC001206039893 1091465083 /nfs/dbraw/zinc/46/50/83/1091465083.db2.gz LSDSDXUBULDXGQ-CYBMUJFWSA-N 1 1 308.853 3.270 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCN(C3CC3)C[C@H](C)C2)c(Cl)c1 ZINC001206039893 1091465089 /nfs/dbraw/zinc/46/50/89/1091465089.db2.gz LSDSDXUBULDXGQ-CYBMUJFWSA-N 1 1 308.853 3.270 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3nsnc3c2)cc1 ZINC001139215507 1091492135 /nfs/dbraw/zinc/49/21/35/1091492135.db2.gz PBCUXLBZSKUIAW-UHFFFAOYSA-N 1 1 312.442 3.389 20 10 DGCDMO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001206237599 1091544953 /nfs/dbraw/zinc/54/49/53/1091544953.db2.gz KCZZRPQGXVODNY-HNNXBMFYSA-N 1 1 310.319 3.011 20 10 DGCDMO CN1CCN(c2ccc(C[NH+]3CC4(C3)CCCCC4)cc2)CC1 ZINC001139413119 1091552112 /nfs/dbraw/zinc/55/21/12/1091552112.db2.gz RMGWCEBJXMDGQR-UHFFFAOYSA-N 1 1 313.489 3.205 20 10 DGCDMO C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@](C)(F)C3)cc2)CC1 ZINC001139409077 1091552496 /nfs/dbraw/zinc/55/24/96/1091552496.db2.gz VBSMPXXQRNSIEP-LJQANCHMSA-N 1 1 319.468 3.153 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CCCC[C@@](C)(F)C3)cc2)CC1 ZINC001139409077 1091552499 /nfs/dbraw/zinc/55/24/99/1091552499.db2.gz VBSMPXXQRNSIEP-LJQANCHMSA-N 1 1 319.468 3.153 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CCCC[C@@](C)(F)C3)cc2)CC1 ZINC001139409077 1091552504 /nfs/dbraw/zinc/55/25/04/1091552504.db2.gz VBSMPXXQRNSIEP-LJQANCHMSA-N 1 1 319.468 3.153 20 10 DGCDMO C[C@H]1C[NH2+]CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001206285299 1091561800 /nfs/dbraw/zinc/56/18/00/1091561800.db2.gz LAKYBRWJSAMVOM-AWEZNQCLSA-N 1 1 314.404 3.240 20 10 DGCDMO Nc1ccc(C[N@@H+](CCCO)Cc2cccc(Cl)c2)cc1 ZINC001120263802 1091695082 /nfs/dbraw/zinc/69/50/82/1091695082.db2.gz VZPDUJSECJCKGK-UHFFFAOYSA-N 1 1 304.821 3.307 20 10 DGCDMO COc1ccc(N2CC[NH+](Cc3ccc(C)nc3)CC2)c(C)c1 ZINC001139934071 1091717859 /nfs/dbraw/zinc/71/78/59/1091717859.db2.gz BQRAQIFPIILUPW-UHFFFAOYSA-N 1 1 311.429 3.029 20 10 DGCDMO CN1CC[N@@H+](Cc2cc(F)ccc2O)C[C@H]1c1ccccc1 ZINC001140055834 1091752066 /nfs/dbraw/zinc/75/20/66/1091752066.db2.gz XFTZCCTZGDPLOQ-KRWDZBQOSA-N 1 1 300.377 3.020 20 10 DGCDMO C[C@]1(CF)CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC001140099196 1091766526 /nfs/dbraw/zinc/76/65/26/1091766526.db2.gz ZQBFYMFRIOLXLX-CYBMUJFWSA-N 1 1 302.187 3.336 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CCCC[C@H]2CN2CCCC2)c1O ZINC001140179137 1091791843 /nfs/dbraw/zinc/79/18/43/1091791843.db2.gz HNJLVQUKLDVZOR-KRWDZBQOSA-N 1 1 302.462 3.459 20 10 DGCDMO Cc1ccc(C)c(CN2CCCC[C@H]2C[NH+]2CCCC2)c1O ZINC001140179137 1091791851 /nfs/dbraw/zinc/79/18/51/1091791851.db2.gz HNJLVQUKLDVZOR-KRWDZBQOSA-N 1 1 302.462 3.459 20 10 DGCDMO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184980 1091794965 /nfs/dbraw/zinc/79/49/65/1091794965.db2.gz MWBOTGBUDWMPSW-OAHLLOKOSA-N 1 1 305.418 3.174 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CCCN(c3cccnc3)CC2)c1O ZINC001140185149 1091795357 /nfs/dbraw/zinc/79/53/57/1091795357.db2.gz QAXIUSFTYVVJGY-UHFFFAOYSA-N 1 1 311.429 3.116 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CC[C@@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001140282502 1091814727 /nfs/dbraw/zinc/81/47/27/1091814727.db2.gz BICJIPPNTDDQFJ-ZWKOTPCHSA-N 1 1 314.473 3.270 20 10 DGCDMO C[C@]1(F)CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140283395 1091816809 /nfs/dbraw/zinc/81/68/09/1091816809.db2.gz RYAYZKPWHXMHRW-IBGZPJMESA-N 1 1 320.452 3.362 20 10 DGCDMO CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC001140306220 1091819925 /nfs/dbraw/zinc/81/99/25/1091819925.db2.gz PVALHLFPQBRZIO-HDICACEKSA-N 1 1 315.505 3.306 20 10 DGCDMO OCc1ccc2c(c1)CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140463160 1091876553 /nfs/dbraw/zinc/87/65/53/1091876553.db2.gz VMNKMAYDIFUSDH-UHFFFAOYSA-N 1 1 303.789 3.096 20 10 DGCDMO CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC001140619834 1091934338 /nfs/dbraw/zinc/93/43/38/1091934338.db2.gz RDNBBIMZTMRHAB-SFHVURJKSA-N 1 1 305.418 3.256 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1 ZINC001140620893 1091935528 /nfs/dbraw/zinc/93/55/28/1091935528.db2.gz FMWZVEJMQWKKCU-QGZVFWFLSA-N 1 1 301.361 3.493 20 10 DGCDMO CCOC(=O)C[C@H]1CC[N@@H+](Cc2cc(C)ccc2O)C[C@H]1C ZINC001140624133 1091937089 /nfs/dbraw/zinc/93/70/89/1091937089.db2.gz HLVXHPNVTXJOFR-HUUCEWRRSA-N 1 1 305.418 3.112 20 10 DGCDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140661735 1091950978 /nfs/dbraw/zinc/95/09/78/1091950978.db2.gz PTHSBHDUIZGMDL-OAHLLOKOSA-N 1 1 306.425 3.427 20 10 DGCDMO COC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC001207415110 1091959175 /nfs/dbraw/zinc/95/91/75/1091959175.db2.gz JTJNRJNMHLFBMH-INIZCTEOSA-N 1 1 318.461 3.226 20 10 DGCDMO COc1ccccc1CC[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001207459850 1091974641 /nfs/dbraw/zinc/97/46/41/1091974641.db2.gz CHGGXHHZJSJRBC-UHFFFAOYSA-N 1 1 313.397 3.097 20 10 DGCDMO Cc1c(O)ccc(C[N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC001140746283 1091983378 /nfs/dbraw/zinc/98/33/78/1091983378.db2.gz XRCFHRKRRVJVRH-CQSZACIVSA-N 1 1 321.417 3.102 20 10 DGCDMO Cc1c(O)ccc(C[N@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC001140746283 1091983387 /nfs/dbraw/zinc/98/33/87/1091983387.db2.gz XRCFHRKRRVJVRH-CQSZACIVSA-N 1 1 321.417 3.102 20 10 DGCDMO CC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(O)c(C)c1O)CC2 ZINC001140747603 1091985605 /nfs/dbraw/zinc/98/56/05/1091985605.db2.gz GGKQRSPAKMYVIL-UHFFFAOYSA-N 1 1 311.381 3.167 20 10 DGCDMO CC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(O)c(C)c1O)CC2 ZINC001140747603 1091985611 /nfs/dbraw/zinc/98/56/11/1091985611.db2.gz GGKQRSPAKMYVIL-UHFFFAOYSA-N 1 1 311.381 3.167 20 10 DGCDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2Cl)[C@H]1C ZINC001140925285 1092065582 /nfs/dbraw/zinc/06/55/82/1092065582.db2.gz QWVMSWBAZWRENS-SWLSCSKDSA-N 1 1 324.852 3.180 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c1 ZINC001140948237 1092075011 /nfs/dbraw/zinc/07/50/11/1092075011.db2.gz ZBTKJOHCUJINLA-WFASDCNBSA-N 1 1 317.351 3.226 20 10 DGCDMO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075793 1092129233 /nfs/dbraw/zinc/12/92/33/1092129233.db2.gz AQZFCFCTCYTWCP-KDURUIRLSA-N 1 1 324.468 3.471 20 10 DGCDMO O=C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075793 1092129238 /nfs/dbraw/zinc/12/92/38/1092129238.db2.gz AQZFCFCTCYTWCP-KDURUIRLSA-N 1 1 324.468 3.471 20 10 DGCDMO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078204 1092131386 /nfs/dbraw/zinc/13/13/86/1092131386.db2.gz OZHLLQHUFBQXHL-IBGZPJMESA-N 1 1 312.457 3.329 20 10 DGCDMO O=C1CCC[C@@H]2C[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@H]12 ZINC001141079129 1092131705 /nfs/dbraw/zinc/13/17/05/1092131705.db2.gz UMACMGGXNQQFNI-MOPGFXCFSA-N 1 1 324.468 3.186 20 10 DGCDMO Oc1ccc(O)c(C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC001141159430 1092155869 /nfs/dbraw/zinc/15/58/69/1092155869.db2.gz GPMIVTZNOUYSAS-UHFFFAOYSA-N 1 1 318.804 3.073 20 10 DGCDMO Oc1ccc(O)c(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c1 ZINC001141160563 1092156251 /nfs/dbraw/zinc/15/62/51/1092156251.db2.gz ZDQRHNLZGCGKLZ-DKSSEZFCSA-N 1 1 317.429 3.125 20 10 DGCDMO COc1cccc([C@H]2CCC[N@@H+](Cc3cc(O)ccc3O)C2)c1 ZINC001141162656 1092157562 /nfs/dbraw/zinc/15/75/62/1092157562.db2.gz YRMXRTGHWRWHER-HNNXBMFYSA-N 1 1 313.397 3.486 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001142524737 1092495349 /nfs/dbraw/zinc/49/53/49/1092495349.db2.gz ISHOTUVMQMCJSH-GFCCVEGCSA-N 1 1 304.340 3.445 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001142524737 1092495355 /nfs/dbraw/zinc/49/53/55/1092495355.db2.gz ISHOTUVMQMCJSH-GFCCVEGCSA-N 1 1 304.340 3.445 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169044612 1092502097 /nfs/dbraw/zinc/50/20/97/1092502097.db2.gz IMKASRXSQINHDB-DOTOQJQBSA-N 1 1 305.422 3.020 20 10 DGCDMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143117172 1092618530 /nfs/dbraw/zinc/61/85/30/1092618530.db2.gz WGHRSXQKIVFPIV-OAHLLOKOSA-N 1 1 318.461 3.180 20 10 DGCDMO CC[N@H+]1C[C@H]2CN(Cc3ccc(-n4c(C)ccc4C)cc3)C[C@H]2C1 ZINC001209520500 1092808290 /nfs/dbraw/zinc/80/82/90/1092808290.db2.gz ZQOCJWIQNPDDKG-BGYRXZFFSA-N 1 1 323.484 3.478 20 10 DGCDMO CC[N@@H+]1C[C@H]2CN(Cc3ccc(-n4c(C)ccc4C)cc3)C[C@H]2C1 ZINC001209520500 1092808299 /nfs/dbraw/zinc/80/82/99/1092808299.db2.gz ZQOCJWIQNPDDKG-BGYRXZFFSA-N 1 1 323.484 3.478 20 10 DGCDMO CCOC(=O)c1c(C)[nH]c(C[N@@H+](C)Cc2ccccc2O)c1C ZINC001209610992 1092848805 /nfs/dbraw/zinc/84/88/05/1092848805.db2.gz NAWPBBLDSZGEKZ-UHFFFAOYSA-N 1 1 316.401 3.146 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](OC(C)C)C2)c1O ZINC000404584948 1094261410 /nfs/dbraw/zinc/26/14/10/1094261410.db2.gz SWKITOXGDODPJC-CQSZACIVSA-N 1 1 313.825 3.444 20 10 DGCDMO C[N@@H+](Cc1ccc(N)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001120262784 1094397339 /nfs/dbraw/zinc/39/73/39/1094397339.db2.gz DAQZSUORJCSQQU-UHFFFAOYSA-N 1 1 323.440 3.005 20 10 DGCDMO C[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1ccc(F)cc1O ZINC000316334595 1095169163 /nfs/dbraw/zinc/16/91/63/1095169163.db2.gz CEVZFRPJCBYEIY-LRDDRELGSA-N 1 1 305.397 3.493 20 10 DGCDMO Cc1cc(CN2CCC[C@]3(CCC[NH2+]C3)C2)ccc1N(C)C ZINC001222265803 1095521582 /nfs/dbraw/zinc/52/15/82/1095521582.db2.gz ZLRALSOIXQBPPQ-IBGZPJMESA-N 1 1 301.478 3.027 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222320762 1095550943 /nfs/dbraw/zinc/55/09/43/1095550943.db2.gz MSJNKVOGHHEIHG-INIZCTEOSA-N 1 1 312.816 3.293 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001116443589 1095553740 /nfs/dbraw/zinc/55/37/40/1095553740.db2.gz BPCWNSHOLWYHJX-PKOBYXMFSA-N 1 1 300.446 3.288 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001116811592 1095666218 /nfs/dbraw/zinc/66/62/18/1095666218.db2.gz ITOKZWSWRYEJRH-CHWSQXEVSA-N 1 1 320.389 3.321 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001116811592 1095666222 /nfs/dbraw/zinc/66/62/22/1095666222.db2.gz ITOKZWSWRYEJRH-CHWSQXEVSA-N 1 1 320.389 3.321 20 10 DGCDMO Oc1cc(O)c(C[N@H+]2CCSC[C@@H]2c2ccccc2)c(O)c1 ZINC001144514487 1095699980 /nfs/dbraw/zinc/69/99/80/1095699980.db2.gz HPHAPFHDWWGPRY-OAHLLOKOSA-N 1 1 317.410 3.094 20 10 DGCDMO Oc1cc(O)c(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c(O)c1 ZINC001144514479 1095700320 /nfs/dbraw/zinc/70/03/20/1095700320.db2.gz HJIXEMBFOASMKL-LBPRGKRZSA-N 1 1 319.788 3.446 20 10 DGCDMO Oc1cccc(F)c1C[NH+]1CCC(COc2cccnc2)CC1 ZINC001137833027 1095755411 /nfs/dbraw/zinc/75/54/11/1095755411.db2.gz QAJHMFPQVRQFFV-UHFFFAOYSA-N 1 1 316.376 3.217 20 10 DGCDMO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3c(O)cccc3F)C2)c1 ZINC001137841314 1095759674 /nfs/dbraw/zinc/75/96/74/1095759674.db2.gz ABFAXEWQYKJPBL-CQSZACIVSA-N 1 1 316.376 3.278 20 10 DGCDMO Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3c(O)cccc3F)C2)c1 ZINC001137841314 1095759684 /nfs/dbraw/zinc/75/96/84/1095759684.db2.gz ABFAXEWQYKJPBL-CQSZACIVSA-N 1 1 316.376 3.278 20 10 DGCDMO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)n1-c1ccccc1 ZINC001137858996 1095769315 /nfs/dbraw/zinc/76/93/15/1095769315.db2.gz DSNKYKKVOCBLPA-BGYRXZFFSA-N 1 1 309.457 3.373 20 10 DGCDMO C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001117582783 1095783341 /nfs/dbraw/zinc/78/33/41/1095783341.db2.gz BALNORPQUOZHNN-XLIONFOSSA-N 1 1 313.489 3.345 20 10 DGCDMO C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001117582783 1095783347 /nfs/dbraw/zinc/78/33/47/1095783347.db2.gz BALNORPQUOZHNN-XLIONFOSSA-N 1 1 313.489 3.345 20 10 DGCDMO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)C1=CC(=O)CS1 ZINC001137992745 1095821941 /nfs/dbraw/zinc/82/19/41/1095821941.db2.gz KWGBUBDXXILOTB-UHFFFAOYSA-N 1 1 300.383 3.184 20 10 DGCDMO O=C(Nc1cccc2c1C[N@H+](C1CC1)C2)C1=CC(=O)CS1 ZINC001137992745 1095821962 /nfs/dbraw/zinc/82/19/62/1095821962.db2.gz KWGBUBDXXILOTB-UHFFFAOYSA-N 1 1 300.383 3.184 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2cccc(F)c2[O-])c1OC ZINC001138129522 1095897558 /nfs/dbraw/zinc/89/75/58/1095897558.db2.gz IPXIKEFAIXBOHR-UHFFFAOYSA-N 1 1 305.349 3.181 20 10 DGCDMO COc1cccc(C[N@H+](C)Cc2cccc(F)c2O)c1OC ZINC001138129522 1095897579 /nfs/dbraw/zinc/89/75/79/1095897579.db2.gz IPXIKEFAIXBOHR-UHFFFAOYSA-N 1 1 305.349 3.181 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2cccc(F)c2O)c1OC ZINC001138129522 1095897598 /nfs/dbraw/zinc/89/75/98/1095897598.db2.gz IPXIKEFAIXBOHR-UHFFFAOYSA-N 1 1 305.349 3.181 20 10 DGCDMO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)c1 ZINC001138130797 1095900169 /nfs/dbraw/zinc/90/01/69/1095900169.db2.gz IEILSXDSPUJPRR-HNNXBMFYSA-N 1 1 316.376 3.278 20 10 DGCDMO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3cccc(F)c3O)C2)c1 ZINC001138130797 1095900178 /nfs/dbraw/zinc/90/01/78/1095900178.db2.gz IEILSXDSPUJPRR-HNNXBMFYSA-N 1 1 316.376 3.278 20 10 DGCDMO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3cccc(F)c3O)C2)c1 ZINC001138130797 1095900187 /nfs/dbraw/zinc/90/01/87/1095900187.db2.gz IEILSXDSPUJPRR-HNNXBMFYSA-N 1 1 316.376 3.278 20 10 DGCDMO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)cc1F ZINC001277009019 1096322668 /nfs/dbraw/zinc/32/26/68/1096322668.db2.gz DWZRWLFWWIMTFQ-IYBDPMFKSA-N 1 1 304.409 3.430 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000129151035 1096459335 /nfs/dbraw/zinc/45/93/35/1096459335.db2.gz BJYYYHBNPXDUSD-CXAGYDPISA-N 1 1 319.445 3.396 20 10 DGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC001172287289 1097104783 /nfs/dbraw/zinc/10/47/83/1097104783.db2.gz SRNKFSVKWHVLLJ-CYBMUJFWSA-N 1 1 314.429 3.113 20 10 DGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@H]2COC(C)(C)C2)C1 ZINC001172287289 1097104788 /nfs/dbraw/zinc/10/47/88/1097104788.db2.gz SRNKFSVKWHVLLJ-CYBMUJFWSA-N 1 1 314.429 3.113 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172808209 1097244891 /nfs/dbraw/zinc/24/48/91/1097244891.db2.gz SBVIEIHFSKLTRY-GDBMZVCRSA-N 1 1 305.418 3.336 20 10 DGCDMO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)CC1COC1 ZINC001231470377 1097756161 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310.388 3.025 20 10 DGCDMO COc1ccc(CN2CCCC[C@@]23CCC[NH2+]C3)c(O)c1Cl ZINC001235176622 1098857355 /nfs/dbraw/zinc/85/73/55/1098857355.db2.gz CUBLUAGUQKEZHQ-KRWDZBQOSA-N 1 1 324.852 3.162 20 10 DGCDMO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cccc(-c3ccccc3)c1O)C2 ZINC001235246491 1098919763 /nfs/dbraw/zinc/91/97/63/1098919763.db2.gz XSROMPGGRJPZHV-YLJYHZDGSA-N 1 1 308.425 3.372 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235403695 1099001999 /nfs/dbraw/zinc/00/19/99/1099001999.db2.gz LVFIAPALVAMNIJ-RBUKOAKNSA-N 1 1 319.468 3.056 20 10 DGCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CC12CC2 ZINC001235682484 1099126530 /nfs/dbraw/zinc/12/65/30/1099126530.db2.gz XEZMQMBRVOQVHS-OAHLLOKOSA-N 1 1 317.429 3.075 20 10 DGCDMO CCOc1cc(C[N@H+]2CCc3cccc(O)c3C2)ccc1F ZINC001235807727 1099189550 /nfs/dbraw/zinc/18/95/50/1099189550.db2.gz UFCYRWVUJYHASF-UHFFFAOYSA-N 1 1 301.361 3.488 20 10 DGCDMO CCN(CC)c1ccc(CNCC[N@@H+]2CCC(C)(C)C2)cc1F ZINC001179768568 1099189599 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c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC001324777097 1108461639 /nfs/dbraw/zinc/46/16/39/1108461639.db2.gz VDCBTEMXUHLCDW-IEBWSBKVSA-N 1 1 300.446 3.288 20 10 DGCDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC001319713251 1108606596 /nfs/dbraw/zinc/60/65/96/1108606596.db2.gz VLSSJPSWGVDVJA-DLBZAZTESA-N 1 1 301.478 3.201 20 10 DGCDMO CCN1C[C@@H](C)[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC001319713251 1108606603 /nfs/dbraw/zinc/60/66/03/1108606603.db2.gz VLSSJPSWGVDVJA-DLBZAZTESA-N 1 1 301.478 3.201 20 10 DGCDMO CCN1C[C@@H](C)[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC001319713251 1108606609 /nfs/dbraw/zinc/60/66/09/1108606609.db2.gz VLSSJPSWGVDVJA-DLBZAZTESA-N 1 1 301.478 3.201 20 10 DGCDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC001319825797 1108653022 /nfs/dbraw/zinc/65/30/22/1108653022.db2.gz FDMBKOCGMFCKEJ-AWEZNQCLSA-N 1 1 315.413 3.472 20 10 DGCDMO Cc1cc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)ccc1N(C)C ZINC001307861324 1111347063 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C[C@H]1SCC[N@@H+](Cc2c(O)cccc2Br)[C@@H]1C ZINC001308620414 1111452023 /nfs/dbraw/zinc/45/20/23/1111452023.db2.gz VANLVSXQQQWSCS-NXEZZACHSA-N 1 1 316.264 3.481 20 10 DGCDMO CCCO[C@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001308633685 1111453395 /nfs/dbraw/zinc/45/33/95/1111453395.db2.gz NBCOPWOOXQXQSV-HNNXBMFYSA-N 1 1 307.434 3.490 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CCC[C@H](C)C2)c2cc(F)ccc2n1C ZINC001308647278 1111456027 /nfs/dbraw/zinc/45/60/27/1111456027.db2.gz HTYVVRFRHNKJGO-LBPRGKRZSA-N 1 1 318.392 3.336 20 10 DGCDMO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001308741710 1111468145 /nfs/dbraw/zinc/46/81/45/1111468145.db2.gz XYACAAOCMBEMHI-OAHLLOKOSA-N 1 1 321.367 3.360 20 10 DGCDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001308741710 1111468147 /nfs/dbraw/zinc/46/81/47/1111468147.db2.gz XYACAAOCMBEMHI-OAHLLOKOSA-N 1 1 321.367 3.360 20 10 DGCDMO Oc1c(F)cccc1C[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC001308773109 1111473141 /nfs/dbraw/zinc/47/31/41/1111473141.db2.gz 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ZINC000236939842 202081944 /nfs/dbraw/zinc/08/19/44/202081944.db2.gz JWMQMXWIKOUTPA-MRXNPFEDSA-N 1 1 306.450 3.001 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2cccn2C)c1O ZINC000179706517 432068514 /nfs/dbraw/zinc/06/85/14/432068514.db2.gz KWRMSWPGBRDXOE-INIZCTEOSA-N 1 1 300.402 3.467 20 10 DGCDMO COc1ccc(O)c(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000179838535 432071852 /nfs/dbraw/zinc/07/18/52/432071852.db2.gz KGFQFXMTKHAMDX-QGZVFWFLSA-N 1 1 317.385 3.175 20 10 DGCDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000275300889 130302802 /nfs/dbraw/zinc/30/28/02/130302802.db2.gz QLWUCNARZNWHGD-RCDICMHDSA-N 1 1 317.454 3.258 20 10 DGCDMO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2c(F)cncc2F)c1O ZINC000285899231 131209231 /nfs/dbraw/zinc/20/92/31/131209231.db2.gz ZRCNSKVGIFCLGU-MRVPVSSYSA-N 1 1 324.302 3.258 20 10 DGCDMO CC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(F)cc1O ZINC000286036778 131217428 /nfs/dbraw/zinc/21/74/28/131217428.db2.gz KKGMESWMYUJTTE-FUHWJXTLSA-N 1 1 303.377 3.480 20 10 DGCDMO CC[C@@H]([NH2+]CC1(SC)CCOCC1)c1ccc(F)cc1O ZINC000286306645 131230081 /nfs/dbraw/zinc/23/00/81/131230081.db2.gz XHQQMAKATBICSB-CQSZACIVSA-N 1 1 313.438 3.484 20 10 DGCDMO CCCOc1ccc(C[NH2+]Cc2noc3c2CCCC3)c(O)c1 ZINC000288510846 131328743 /nfs/dbraw/zinc/32/87/43/131328743.db2.gz SYYBNPBZEPVFBD-UHFFFAOYSA-N 1 1 316.401 3.338 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1C ZINC000298310812 132055872 /nfs/dbraw/zinc/05/58/72/132055872.db2.gz JSGFPZOWGRRATI-UHFFFAOYSA-N 1 1 324.424 3.273 20 10 DGCDMO Cc1cc(C(=O)NCCn2cc[nH+]c2C)c(C)n1-c1ccccc1 ZINC000299495822 132108030 /nfs/dbraw/zinc/10/80/30/132108030.db2.gz QCRJMTBKKSIWER-UHFFFAOYSA-N 1 1 322.412 3.029 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000089912292 401243206 /nfs/dbraw/zinc/24/32/06/401243206.db2.gz QZQTYCXXOIAZPS-SFHVURJKSA-N 1 1 324.424 3.015 20 10 DGCDMO CCC[C@]1([NH2+]Cc2cccc(Br)c2O)CCOC1 ZINC000378723738 685144472 /nfs/dbraw/zinc/14/44/72/685144472.db2.gz AGCWJXSDIQKKED-AWEZNQCLSA-N 1 1 314.223 3.204 20 10 DGCDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccccc1O ZINC000127186135 227002206 /nfs/dbraw/zinc/00/22/06/227002206.db2.gz PRAIZRIPFIHWNC-AWEZNQCLSA-N 1 1 308.385 3.166 20 10 DGCDMO COc1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000179428837 274145771 /nfs/dbraw/zinc/14/57/71/274145771.db2.gz IAVNIUDWGNZZDT-KRWDZBQOSA-N 1 1 317.360 3.113 20 10 DGCDMO COc1cccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000179428837 274145775 /nfs/dbraw/zinc/14/57/75/274145775.db2.gz IAVNIUDWGNZZDT-KRWDZBQOSA-N 1 1 317.360 3.113 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1O ZINC000186442239 274146001 /nfs/dbraw/zinc/14/60/01/274146001.db2.gz XFAGKODFHNOKOV-LJQANCHMSA-N 1 1 311.381 3.032 20 10 DGCDMO COc1cccc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)c1O ZINC000093341906 278011000 /nfs/dbraw/zinc/01/10/00/278011000.db2.gz QFQCKUCJVSKQQW-IBGZPJMESA-N 1 1 313.397 3.148 20 10 DGCDMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)c(F)c1 ZINC000111235094 431200540 /nfs/dbraw/zinc/20/05/40/431200540.db2.gz MMHPMDKYABSAKN-CYBMUJFWSA-N 1 1 316.376 3.299 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCc3cc(F)ccc3C2)cc1OC ZINC000119034053 431636479 /nfs/dbraw/zinc/63/64/79/431636479.db2.gz OZSQNEFFOMLGOU-UHFFFAOYSA-N 1 1 317.360 3.107 20 10 DGCDMO CCOc1ccc(O)c(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683800 431916710 /nfs/dbraw/zinc/91/67/10/431916710.db2.gz ITGHMGFQCNJGEB-MRXNPFEDSA-N 1 1 318.461 3.099 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000093691083 431917718 /nfs/dbraw/zinc/91/77/18/431917718.db2.gz BQQXBWSHEHYEHE-HNNXBMFYSA-N 1 1 304.777 3.094 20 10 DGCDMO Cc1cc(Br)cc(C[N@@H+](C)Cc2ccncc2)c1O ZINC000183737234 432321261 /nfs/dbraw/zinc/32/12/61/432321261.db2.gz HYYINOWWDFDQEM-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2O)c1 ZINC000271058918 432324712 /nfs/dbraw/zinc/32/47/12/432324712.db2.gz BPJVFPSJFTZCNP-UHFFFAOYSA-N 1 1 317.385 3.050 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000271734299 432423125 /nfs/dbraw/zinc/42/31/25/432423125.db2.gz OCQINZMNEGMYJD-IBGZPJMESA-N 1 1 313.397 3.147 20 10 DGCDMO COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192871847 432423612 /nfs/dbraw/zinc/42/36/12/432423612.db2.gz IPGWHEZEPPLAFU-XPTSAGLGSA-N 1 1 322.232 3.137 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1O ZINC000271826991 432426602 /nfs/dbraw/zinc/42/66/02/432426602.db2.gz OBCFBGVAXAQNGA-HNNXBMFYSA-N 1 1 313.401 3.341 20 10 DGCDMO CC(=O)N1CC[N@@H+](Cc2cccc(C)c2O)CC12CCCCC2 ZINC000271869879 432427171 /nfs/dbraw/zinc/42/71/71/432427171.db2.gz RWCVWWXKVLNUGT-UHFFFAOYSA-N 1 1 316.445 3.068 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)cc1C ZINC000176124281 432494452 /nfs/dbraw/zinc/49/44/52/432494452.db2.gz SNGHTBOUUAZGOO-QFIPXVFZSA-N 1 1 317.454 3.378 20 10 DGCDMO C[C@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(F)cc1O ZINC000185104771 432467472 /nfs/dbraw/zinc/46/74/72/432467472.db2.gz IXUKQWCSEWJBTF-LBPRGKRZSA-N 1 1 320.433 3.302 20 10 DGCDMO COc1ccc(O)c([C@@H](C)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000185649002 432517964 /nfs/dbraw/zinc/51/79/64/432517964.db2.gz JACKRSQHVOGQIU-CQSZACIVSA-N 1 1 318.461 3.458 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000185649002 432517967 /nfs/dbraw/zinc/51/79/67/432517967.db2.gz JACKRSQHVOGQIU-CQSZACIVSA-N 1 1 318.461 3.458 20 10 DGCDMO CCC[N@H+](Cc1nnc2n1CCCCC2)Cc1ccccc1O ZINC000263905194 432592353 /nfs/dbraw/zinc/59/23/53/432592353.db2.gz FQRUULGYAQPAMB-UHFFFAOYSA-N 1 1 314.433 3.122 20 10 DGCDMO CCC[N@@H+](Cc1nnc2n1CCCCC2)Cc1ccccc1O ZINC000263905194 432592358 /nfs/dbraw/zinc/59/23/58/432592358.db2.gz FQRUULGYAQPAMB-UHFFFAOYSA-N 1 1 314.433 3.122 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186439037 432596130 /nfs/dbraw/zinc/59/61/30/432596130.db2.gz SXEIFDIATZDVOM-IBGZPJMESA-N 1 1 311.381 3.032 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(F)cc1O ZINC000273475444 432601781 /nfs/dbraw/zinc/60/17/81/432601781.db2.gz SSCMWJKGXZCUKI-CJNGLKHVSA-N 1 1 303.377 3.176 20 10 DGCDMO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000178254465 432711763 /nfs/dbraw/zinc/71/17/63/432711763.db2.gz BAGBICGNSUNGJJ-HNNXBMFYSA-N 1 1 301.478 3.278 20 10 DGCDMO C[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000178254465 432711768 /nfs/dbraw/zinc/71/17/68/432711768.db2.gz BAGBICGNSUNGJJ-HNNXBMFYSA-N 1 1 301.478 3.278 20 10 DGCDMO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000227689466 432714105 /nfs/dbraw/zinc/71/41/05/432714105.db2.gz OZIQXJSTGMAOHJ-QWRGUYRKSA-N 1 1 312.385 3.095 20 10 DGCDMO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000227689478 432714327 /nfs/dbraw/zinc/71/43/27/432714327.db2.gz OZIQXJSTGMAOHJ-GHMZBOCLSA-N 1 1 312.385 3.095 20 10 DGCDMO Cc1cc[nH+]c(NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000268371312 432866746 /nfs/dbraw/zinc/86/67/46/432866746.db2.gz YUORFNXSDUWEBA-UHFFFAOYSA-N 1 1 311.429 3.211 20 10 DGCDMO COCCOCCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278163517 432888452 /nfs/dbraw/zinc/88/84/52/432888452.db2.gz BWPYPBBZZXJLQA-SNVBAGLBSA-N 1 1 322.232 3.403 20 10 DGCDMO COCCOCCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278163516 432889081 /nfs/dbraw/zinc/88/90/81/432889081.db2.gz BWPYPBBZZXJLQA-JTQLQIEISA-N 1 1 322.232 3.403 20 10 DGCDMO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)[nH]1 ZINC000277458755 432851562 /nfs/dbraw/zinc/85/15/62/432851562.db2.gz QBZNKBCFLKRHBP-VXGBXAGGSA-N 1 1 300.406 3.104 20 10 DGCDMO Cc1ccc([C@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c(O)c1C ZINC000278778206 432900653 /nfs/dbraw/zinc/90/06/53/432900653.db2.gz YECNSVDHBIZTHE-WBVHZDCISA-N 1 1 320.477 3.161 20 10 DGCDMO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cc(C)c(C)cc2O)n1 ZINC000289749914 432973165 /nfs/dbraw/zinc/97/31/65/432973165.db2.gz JDDNWLYZHFTINE-HNNXBMFYSA-N 1 1 301.390 3.428 20 10 DGCDMO Cc1noc([C@@H]2CCCC[N@H+]2Cc2cc(C)c(C)cc2O)n1 ZINC000289749914 432973171 /nfs/dbraw/zinc/97/31/71/432973171.db2.gz JDDNWLYZHFTINE-HNNXBMFYSA-N 1 1 301.390 3.428 20 10 DGCDMO COCc1nc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cs1 ZINC000289776660 432975337 /nfs/dbraw/zinc/97/53/37/432975337.db2.gz MKZMWNCULIXNCC-VIFPVBQESA-N 1 1 312.822 3.499 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1O ZINC000373472903 433153629 /nfs/dbraw/zinc/15/36/29/433153629.db2.gz GOLKYWPVOXPCJH-ZUZCIYMTSA-N 1 1 311.809 3.054 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1O ZINC000373472903 433153637 /nfs/dbraw/zinc/15/36/37/433153637.db2.gz GOLKYWPVOXPCJH-ZUZCIYMTSA-N 1 1 311.809 3.054 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)c1O ZINC000290913340 433205358 /nfs/dbraw/zinc/20/53/58/433205358.db2.gz NEMFXVNZGKKPKX-CQSZACIVSA-N 1 1 321.808 3.006 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1F ZINC000291014715 433217793 /nfs/dbraw/zinc/21/77/93/433217793.db2.gz XEYUAFXLLCAVDY-CQSZACIVSA-N 1 1 322.815 3.189 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1F ZINC000291014715 433217806 /nfs/dbraw/zinc/21/78/06/433217806.db2.gz XEYUAFXLLCAVDY-CQSZACIVSA-N 1 1 322.815 3.189 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCC[C@H]2c2ccnn2C)c1O ZINC000281253039 433275528 /nfs/dbraw/zinc/27/55/28/433275528.db2.gz MRBCGYNUEIKKFH-INIZCTEOSA-N 1 1 315.417 3.252 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000281575810 433312486 /nfs/dbraw/zinc/31/24/86/433312486.db2.gz CWESIHPTQDEOSA-IINYFYTJSA-N 1 1 311.809 3.248 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1O ZINC000375320658 433428421 /nfs/dbraw/zinc/42/84/21/433428421.db2.gz RMGBVOSJSIQDRH-MRXNPFEDSA-N 1 1 321.392 3.125 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1O ZINC000375320658 433428429 /nfs/dbraw/zinc/42/84/29/433428429.db2.gz RMGBVOSJSIQDRH-MRXNPFEDSA-N 1 1 321.392 3.125 20 10 DGCDMO CCCC[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1ccccc1O ZINC000282435160 433605748 /nfs/dbraw/zinc/60/57/48/433605748.db2.gz KLJWFHIHYCUQKD-UHFFFAOYSA-N 1 1 312.413 3.293 20 10 DGCDMO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Cl)c(Cl)cc1O ZINC000282464058 433609807 /nfs/dbraw/zinc/60/98/07/433609807.db2.gz VTNMDWSXHBWEAS-LILOVNGRSA-N 1 1 322.257 3.261 20 10 DGCDMO COCCC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCC1 ZINC000293558207 433781715 /nfs/dbraw/zinc/78/17/15/433781715.db2.gz HVINDQASHYCHFZ-UHFFFAOYSA-N 1 1 301.789 3.481 20 10 DGCDMO CCCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)c(O)c1 ZINC000293661037 433821744 /nfs/dbraw/zinc/82/17/44/433821744.db2.gz NXPACNWRBZZWOI-LJQANCHMSA-N 1 1 318.461 3.099 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)c(O)c1 ZINC000293661037 433821751 /nfs/dbraw/zinc/82/17/51/433821751.db2.gz NXPACNWRBZZWOI-LJQANCHMSA-N 1 1 318.461 3.099 20 10 DGCDMO CN(C)[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccco1 ZINC000293795214 433871852 /nfs/dbraw/zinc/87/18/52/433871852.db2.gz BPVBEKGXXNSLQK-CYBMUJFWSA-N 1 1 312.772 3.170 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)ccc1N(C)C ZINC000293815586 433878670 /nfs/dbraw/zinc/87/86/70/433878670.db2.gz ONVSRODZTSLWJH-KXBFYZLASA-N 1 1 312.461 3.341 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H](O)c1ccccc1 ZINC000293966684 433944596 /nfs/dbraw/zinc/94/45/96/433944596.db2.gz QHRIYNIWLGROMM-QLJPJBMISA-N 1 1 309.768 3.396 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1c(F)cncc1F ZINC000285418548 433941451 /nfs/dbraw/zinc/94/14/51/433941451.db2.gz GJZJPMOMAAZDJS-SNVBAGLBSA-N 1 1 309.335 3.416 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000285703044 434044471 /nfs/dbraw/zinc/04/44/71/434044471.db2.gz PCXPXMAXSLTTKP-WBVHZDCISA-N 1 1 307.340 3.445 20 10 DGCDMO Oc1ccccc1C[N@@H+](CC1CC(F)(F)C1)C[C@@H]1CCCO1 ZINC000294877858 434148648 /nfs/dbraw/zinc/14/86/48/434148648.db2.gz FRJVIPPAVDFANL-HNNXBMFYSA-N 1 1 311.372 3.419 20 10 DGCDMO CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1(C)C ZINC000294934994 434153324 /nfs/dbraw/zinc/15/33/24/434153324.db2.gz GOJVUGFZHQEOIW-CQSZACIVSA-N 1 1 301.789 3.432 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1(C)C ZINC000294934994 434153333 /nfs/dbraw/zinc/15/33/33/434153333.db2.gz GOJVUGFZHQEOIW-CQSZACIVSA-N 1 1 301.789 3.432 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1ccccc1O ZINC000295068156 434178454 /nfs/dbraw/zinc/17/84/54/434178454.db2.gz QTTHFKBAGPMITA-GFCCVEGCSA-N 1 1 311.307 3.442 20 10 DGCDMO [O-]c1c(F)cccc1CN1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000378493735 434202971 /nfs/dbraw/zinc/20/29/71/434202971.db2.gz KCDCFJGGFIEWAD-INIZCTEOSA-N 1 1 323.314 3.383 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000364759957 434281302 /nfs/dbraw/zinc/28/13/02/434281302.db2.gz OPYVGSVUZHFXIL-UHFFFAOYSA-N 1 1 306.362 3.075 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000364759957 434281311 /nfs/dbraw/zinc/28/13/11/434281311.db2.gz OPYVGSVUZHFXIL-UHFFFAOYSA-N 1 1 306.362 3.075 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](c3ccco3)C2)c1O ZINC000370169258 434609541 /nfs/dbraw/zinc/60/95/41/434609541.db2.gz NMMFUEXIXGTQJW-LBPRGKRZSA-N 1 1 303.333 3.316 20 10 DGCDMO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2nccs2)cc1OC ZINC000360776311 434691038 /nfs/dbraw/zinc/69/10/38/434691038.db2.gz CPAPORGAXFWXRF-GFCCVEGCSA-N 1 1 320.414 3.203 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2nccs2)cc1OC ZINC000360776311 434691043 /nfs/dbraw/zinc/69/10/43/434691043.db2.gz CPAPORGAXFWXRF-GFCCVEGCSA-N 1 1 320.414 3.203 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccc(F)cc1O ZINC000371869687 434763560 /nfs/dbraw/zinc/76/35/60/434763560.db2.gz JVXDHMHAIJTRGN-KZULUSFZSA-N 1 1 301.361 3.496 20 10 DGCDMO Cn1nccc1[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000372812805 434856040 /nfs/dbraw/zinc/85/60/40/434856040.db2.gz CCTFYDNWOBIGLJ-NSHDSACASA-N 1 1 323.799 3.298 20 10 DGCDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000372812805 434856042 /nfs/dbraw/zinc/85/60/42/434856042.db2.gz CCTFYDNWOBIGLJ-NSHDSACASA-N 1 1 323.799 3.298 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1C ZINC000529665156 435039306 /nfs/dbraw/zinc/03/93/06/435039306.db2.gz KUCPYEPUKNLJQW-UHFFFAOYSA-N 1 1 309.413 3.235 20 10 DGCDMO CCCOc1ccc(C[N@@H+](C)[C@H](CO)c2ccccc2)c(O)c1 ZINC000295143469 335132798 /nfs/dbraw/zinc/13/27/98/335132798.db2.gz ZYTNZSUXQPTFMC-GOSISDBHSA-N 1 1 315.413 3.346 20 10 DGCDMO COc1ccc(C[N@H+](C)Cc2cccc(F)c2O)c(OC)c1 ZINC000272347239 334033676 /nfs/dbraw/zinc/03/36/76/334033676.db2.gz ZVLUXFUVHJJSCD-UHFFFAOYSA-N 1 1 305.349 3.181 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2cccc(F)c2O)c(OC)c1 ZINC000272347239 334033677 /nfs/dbraw/zinc/03/36/77/334033677.db2.gz ZVLUXFUVHJJSCD-UHFFFAOYSA-N 1 1 305.349 3.181 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cn(C(C)(C)C)nn2)cc1 ZINC000190792600 520908880 /nfs/dbraw/zinc/90/88/80/520908880.db2.gz VQTCQCACEVMGDG-UHFFFAOYSA-N 1 1 315.465 3.169 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2cccn2C)c1 ZINC000180638367 524737592 /nfs/dbraw/zinc/73/75/92/524737592.db2.gz KURJHDXNHVEZOG-QGZVFWFLSA-N 1 1 300.402 3.467 20 10 DGCDMO COc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)c1O ZINC000131870866 525936517 /nfs/dbraw/zinc/93/65/17/525936517.db2.gz YSVMYCQCSGPNNS-AWEZNQCLSA-N 1 1 321.417 3.097 20 10 DGCDMO COc1cccc(C[N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)c1O ZINC000131870866 525936527 /nfs/dbraw/zinc/93/65/27/525936527.db2.gz YSVMYCQCSGPNNS-AWEZNQCLSA-N 1 1 321.417 3.097 20 10 DGCDMO COc1cccc(C[N@H+]2CCCN(c3ccccc3)CC2)c1O ZINC000130774800 525937822 /nfs/dbraw/zinc/93/78/22/525937822.db2.gz AHNUECGEUURGNB-UHFFFAOYSA-N 1 1 312.413 3.113 20 10 DGCDMO Cc1ccc2nc(C[NH2+]Cc3ccc(N(C)C)c(F)c3)cn2c1 ZINC000264965593 526249440 /nfs/dbraw/zinc/24/94/40/526249440.db2.gz PJVPCDLDZJNBPM-UHFFFAOYSA-N 1 1 312.392 3.138 20 10 DGCDMO CC[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1O ZINC000286002648 535944970 /nfs/dbraw/zinc/94/49/70/535944970.db2.gz HPUCNSFUTCHBLS-RDJZCZTQSA-N 1 1 321.367 3.315 20 10 DGCDMO CC[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(F)cc1O ZINC000286080788 535947652 /nfs/dbraw/zinc/94/76/52/535947652.db2.gz LNOVCNOFXXNVIF-HOCLYGCPSA-N 1 1 315.392 3.246 20 10 DGCDMO COCCc1cc[nH+]c(N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000286955458 536832543 /nfs/dbraw/zinc/83/25/43/536832543.db2.gz BSAXWCBUQJKCGI-GFCCVEGCSA-N 1 1 302.374 3.158 20 10 DGCDMO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1=CC(=O)CS1 ZINC000731865351 574560760 /nfs/dbraw/zinc/56/07/60/574560760.db2.gz CAHOHUDDFGNEKZ-HNNXBMFYSA-N 1 1 316.426 3.021 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1C ZINC000744442043 575343145 /nfs/dbraw/zinc/34/31/45/575343145.db2.gz DDQKJZDCSDZIMI-RISCZKNCSA-N 1 1 303.324 3.161 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)cc1C ZINC000744442043 575343147 /nfs/dbraw/zinc/34/31/47/575343147.db2.gz DDQKJZDCSDZIMI-RISCZKNCSA-N 1 1 303.324 3.161 20 10 DGCDMO C[C@@H](CCNC(=O)C1=CC(=O)CS1)[N@@H+](C)Cc1ccccc1 ZINC000746693130 575470454 /nfs/dbraw/zinc/47/04/54/575470454.db2.gz BPJPYJWYFSFJIT-ZDUSSCGKSA-N 1 1 318.442 3.094 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000747827257 575544212 /nfs/dbraw/zinc/54/42/12/575544212.db2.gz NRBLAOYMANGHHD-HZPDHXFCSA-N 1 1 312.413 3.189 20 10 DGCDMO CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C[C@H]1CCOC1 ZINC000750046906 575699909 /nfs/dbraw/zinc/69/99/09/575699909.db2.gz IDTFCHDYJPDUPO-GFCCVEGCSA-N 1 1 311.809 3.107 20 10 DGCDMO CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C[C@H]1CCOC1 ZINC000750046906 575699910 /nfs/dbraw/zinc/69/99/10/575699910.db2.gz IDTFCHDYJPDUPO-GFCCVEGCSA-N 1 1 311.809 3.107 20 10 DGCDMO CCC[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccccc1O ZINC000750875782 575757102 /nfs/dbraw/zinc/75/71/02/575757102.db2.gz XUUBSPGDALACDK-UHFFFAOYSA-N 1 1 316.376 3.382 20 10 DGCDMO CCC[N@@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1ccccc1O ZINC000750875755 575757143 /nfs/dbraw/zinc/75/71/43/575757143.db2.gz WOVCVRKWHALITP-RDJZCZTQSA-N 1 1 318.461 3.299 20 10 DGCDMO CC(C)[N@@H+](CC(=O)NC1CCCC1)Cc1ccc(N(C)C)cc1 ZINC000917075322 620654924 /nfs/dbraw/zinc/65/49/24/620654924.db2.gz TVSANYZYXXUNEZ-UHFFFAOYSA-N 1 1 317.477 3.022 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCS1 ZINC000769446902 620885557 /nfs/dbraw/zinc/88/55/57/620885557.db2.gz QBEBGJANSMWEDO-LBPRGKRZSA-N 1 1 316.264 3.482 20 10 DGCDMO CC(C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)N1CCC(C)CC1 ZINC000917394710 620666986 /nfs/dbraw/zinc/66/69/86/620666986.db2.gz PGOCVPSQBAGRLA-LJQANCHMSA-N 1 1 316.489 3.468 20 10 DGCDMO COc1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1C ZINC000853093986 620668043 /nfs/dbraw/zinc/66/80/43/620668043.db2.gz VTIVCRUMGUTVQJ-SFHVURJKSA-N 1 1 302.462 3.215 20 10 DGCDMO COc1ccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1C ZINC000853093986 620668044 /nfs/dbraw/zinc/66/80/44/620668044.db2.gz VTIVCRUMGUTVQJ-SFHVURJKSA-N 1 1 302.462 3.215 20 10 DGCDMO CC1CCC(O)(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000853092284 620667322 /nfs/dbraw/zinc/66/73/22/620667322.db2.gz JDJIPYDELNTPSN-UHFFFAOYSA-N 1 1 301.789 3.216 20 10 DGCDMO CN1CC[N@@H+](Cc2cc3c(cc2O)CCC3)[C@@H](c2ccccc2)C1 ZINC000917462509 620669594 /nfs/dbraw/zinc/66/95/94/620669594.db2.gz HNFINSLSCYDJNK-HXUWFJFHSA-N 1 1 322.452 3.370 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000853242055 620681574 /nfs/dbraw/zinc/68/15/74/620681574.db2.gz ZUPRWVGLYZETHW-JSGCOSHPSA-N 1 1 324.415 3.443 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241018 620681378 /nfs/dbraw/zinc/68/13/78/620681378.db2.gz RRVLWYWWCOLOOO-UKRRQHHQSA-N 1 1 306.425 3.304 20 10 DGCDMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC000111236076 620685442 /nfs/dbraw/zinc/68/54/42/620685442.db2.gz ZVEGZZCDJARGLK-HNNXBMFYSA-N 1 1 312.413 3.468 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC3(CCCC3)OC[C@@H]2C)c1O ZINC000853577860 620711963 /nfs/dbraw/zinc/71/19/63/620711963.db2.gz LUKJDRJJEZHAQR-AWEZNQCLSA-N 1 1 305.418 3.243 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1CC1CCC1)[C@H](O)CO2 ZINC000853607793 620715588 /nfs/dbraw/zinc/71/55/88/620715588.db2.gz VXOSWQMKGYYXAY-CRAIPNDOSA-N 1 1 317.429 3.363 20 10 DGCDMO C[N@H+](Cc1cc2c(cc1O)OCO2)C[C@H]1CCc2ccccc21 ZINC000853611085 620715841 /nfs/dbraw/zinc/71/58/41/620715841.db2.gz WGZOBOBTMVYVDW-CQSZACIVSA-N 1 1 311.381 3.283 20 10 DGCDMO C[C@]1(C(F)F)C[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000853634006 620717645 /nfs/dbraw/zinc/71/76/45/620717645.db2.gz ZUTBMNVVFYGGNT-QGZVFWFLSA-N 1 1 307.340 3.401 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccccc2F)c(O)c1OC ZINC000891476217 617811857 /nfs/dbraw/zinc/81/18/57/617811857.db2.gz NKZNPTJTSUJICY-UHFFFAOYSA-N 1 1 305.349 3.181 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)s2)c(O)c1OC ZINC000891922582 617926914 /nfs/dbraw/zinc/92/69/14/617926914.db2.gz GBMWGIKYWKNBDS-UHFFFAOYSA-N 1 1 307.415 3.411 20 10 DGCDMO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112017201 620785537 /nfs/dbraw/zinc/78/55/37/620785537.db2.gz NYMJNZBFCOPNNC-QWHCGFSZSA-N 1 1 315.244 3.415 20 10 DGCDMO Oc1cccc2c1[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)CC2 ZINC000854221939 620785777 /nfs/dbraw/zinc/78/57/77/620785777.db2.gz CCWNHRSHSBVMRG-FGTMMUONSA-N 1 1 308.425 3.115 20 10 DGCDMO COc1ccc(CN[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000920182839 620789201 /nfs/dbraw/zinc/78/92/01/620789201.db2.gz ZOCPVMZPGRCLAU-UXLLHSPISA-N 1 1 304.478 3.460 20 10 DGCDMO COc1ccc(C[NH2+][C@@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1C ZINC000920182839 620789203 /nfs/dbraw/zinc/78/92/03/620789203.db2.gz ZOCPVMZPGRCLAU-UXLLHSPISA-N 1 1 304.478 3.460 20 10 DGCDMO COc1cccc(C[NH2+]Cc2csc(C(F)(F)F)n2)c1O ZINC000894457718 618338020 /nfs/dbraw/zinc/33/80/20/618338020.db2.gz HEAMZGZTPJMFKH-UHFFFAOYSA-N 1 1 318.320 3.166 20 10 DGCDMO COc1ccc(C[N@@H+](C)CCc2ccccc2C)c(O)c1OC ZINC000894668786 618417603 /nfs/dbraw/zinc/41/76/03/618417603.db2.gz WSOUVULMTAIZKV-UHFFFAOYSA-N 1 1 315.413 3.392 20 10 DGCDMO CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C)cc(OC)c1O ZINC000894776707 618453928 /nfs/dbraw/zinc/45/39/28/618453928.db2.gz JVXWJETVEXQBGY-UHFFFAOYSA-N 1 1 306.450 3.017 20 10 DGCDMO CCN(CCC[NH+]1CCCC1)Cc1cc(C)cc(OC)c1O ZINC000894776707 618453931 /nfs/dbraw/zinc/45/39/31/618453931.db2.gz JVXWJETVEXQBGY-UHFFFAOYSA-N 1 1 306.450 3.017 20 10 DGCDMO CC[N@H+](CCCN1CCCC1)Cc1cc(C)cc(OC)c1O ZINC000894776707 618453932 /nfs/dbraw/zinc/45/39/32/618453932.db2.gz JVXWJETVEXQBGY-UHFFFAOYSA-N 1 1 306.450 3.017 20 10 DGCDMO CC[N@@H+](CCCN1CCCC1)Cc1cc(C)cc(OC)c1O ZINC000894776707 618453936 /nfs/dbraw/zinc/45/39/36/618453936.db2.gz JVXWJETVEXQBGY-UHFFFAOYSA-N 1 1 306.450 3.017 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@H](C3CCCC3)C2)c(O)c1OC ZINC000894972830 618504078 /nfs/dbraw/zinc/50/40/78/618504078.db2.gz GGVMUXJVKCHGFN-AWEZNQCLSA-N 1 1 305.418 3.422 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000840912369 618526225 /nfs/dbraw/zinc/52/62/25/618526225.db2.gz NXAVJZPETRRCQZ-LJQANCHMSA-N 1 1 301.478 3.121 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000840912369 618526227 /nfs/dbraw/zinc/52/62/27/618526227.db2.gz NXAVJZPETRRCQZ-LJQANCHMSA-N 1 1 301.478 3.121 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000895280738 618586204 /nfs/dbraw/zinc/58/62/04/618586204.db2.gz ZSWVOFIGTMJENT-BLLLJJGKSA-N 1 1 311.372 3.452 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000895280738 618586209 /nfs/dbraw/zinc/58/62/09/618586209.db2.gz ZSWVOFIGTMJENT-BLLLJJGKSA-N 1 1 311.372 3.452 20 10 DGCDMO C[C@@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)c1cc(F)cc(F)c1O ZINC000925856031 618646937 /nfs/dbraw/zinc/64/69/37/618646937.db2.gz PUKKWDVVNCSFOR-OQPBUACISA-N 1 1 324.293 3.006 20 10 DGCDMO COc1cc(C[N@H+](C)Cc2cc(F)cc(F)c2O)ccc1O ZINC000893918337 618676198 /nfs/dbraw/zinc/67/61/98/618676198.db2.gz ATINBTMTPJMOIQ-UHFFFAOYSA-N 1 1 309.312 3.017 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2cc(F)cc(F)c2O)ccc1O ZINC000893918337 618676200 /nfs/dbraw/zinc/67/62/00/618676200.db2.gz ATINBTMTPJMOIQ-UHFFFAOYSA-N 1 1 309.312 3.017 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1O ZINC000894020550 618694129 /nfs/dbraw/zinc/69/41/29/618694129.db2.gz HJPYAYDNCQGDGE-AWEZNQCLSA-N 1 1 315.413 3.478 20 10 DGCDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000894016340 618695156 /nfs/dbraw/zinc/69/51/56/618695156.db2.gz BYSCDNOXSJLPPI-MRXNPFEDSA-N 1 1 307.434 3.490 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000894096674 618709243 /nfs/dbraw/zinc/70/92/43/618709243.db2.gz WEBMHVWOZDPGJI-DZGCQCFKSA-N 1 1 323.339 3.352 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000894096674 618709244 /nfs/dbraw/zinc/70/92/44/618709244.db2.gz WEBMHVWOZDPGJI-DZGCQCFKSA-N 1 1 323.339 3.352 20 10 DGCDMO Cc1ncc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)s1 ZINC000790982856 618731639 /nfs/dbraw/zinc/73/16/39/618731639.db2.gz KYXNJNAGZWFGSL-UHFFFAOYSA-N 1 1 300.786 3.282 20 10 DGCDMO CC1([NH+]2CCCC2)CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000895438611 618784847 /nfs/dbraw/zinc/78/48/47/618784847.db2.gz HIEDZFVEWNFNFP-UHFFFAOYSA-N 1 1 310.388 3.121 20 10 DGCDMO Cc1ccc(O)c(C[NH2+]Cc2csc(C(F)(F)F)n2)c1 ZINC000895579634 618803858 /nfs/dbraw/zinc/80/38/58/618803858.db2.gz BSGMZERVLZGAMB-UHFFFAOYSA-N 1 1 302.321 3.466 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000895716923 618822150 /nfs/dbraw/zinc/82/21/50/618822150.db2.gz NBCQQNKORNUIHA-MRXNPFEDSA-N 1 1 319.445 3.430 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000895842612 618837931 /nfs/dbraw/zinc/83/79/31/618837931.db2.gz ICZHRNQUDZEYTO-UJNJHQOQSA-N 1 1 300.446 3.267 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1F ZINC000895846417 618841044 /nfs/dbraw/zinc/84/10/44/618841044.db2.gz UBKFKXDIUAGFLR-SJCJKPOMSA-N 1 1 310.388 3.032 20 10 DGCDMO COC1(OC)CC2(C[N@@H+](Cc3cc(F)ccc3O)[C@@H]2C(C)C)C1 ZINC000895988487 618857993 /nfs/dbraw/zinc/85/79/93/618857993.db2.gz CJDZMVNKMDOFTL-MRXNPFEDSA-N 1 1 323.408 3.141 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896227021 618888419 /nfs/dbraw/zinc/88/84/19/618888419.db2.gz JYOFNLYMNNIZNU-ZDUSSCGKSA-N 1 1 319.298 3.267 20 10 DGCDMO Cc1cc(O)c(CNCc2cc(N(C)C)cc[nH+]2)cc1Cl ZINC000896297922 618897791 /nfs/dbraw/zinc/89/77/91/618897791.db2.gz FJKWNKBNHZPOHW-UHFFFAOYSA-N 1 1 305.809 3.105 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896531006 618923087 /nfs/dbraw/zinc/92/30/87/618923087.db2.gz IEZITQXSERCHAZ-CYBMUJFWSA-N 1 1 318.442 3.312 20 10 DGCDMO Cc1cccc2c1CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000148122010 619000510 /nfs/dbraw/zinc/00/05/10/619000510.db2.gz WRNNOVSODKGQDB-UHFFFAOYSA-N 1 1 322.452 3.390 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000897081073 619011785 /nfs/dbraw/zinc/01/17/85/619011785.db2.gz JHTAVQXNUCXNCD-BDJLRTHQSA-N 1 1 313.800 3.480 20 10 DGCDMO COc1ccc(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c(O)c1OC ZINC000897612205 619166500 /nfs/dbraw/zinc/16/65/00/619166500.db2.gz QWOUNIFQVLWZOM-JUIVLLAYSA-N 1 1 315.413 3.053 20 10 DGCDMO CCOc1cccc(C[NH2+]Cc2nc(C(C)(C)C)co2)c1O ZINC000897944271 619197539 /nfs/dbraw/zinc/19/75/39/619197539.db2.gz DBYWVWOBBOFKAJ-UHFFFAOYSA-N 1 1 304.390 3.366 20 10 DGCDMO C[C@]1(CNCc2ccc(N3CCCCC3)cc2)CCC[NH2+]C1 ZINC000841056048 619249139 /nfs/dbraw/zinc/24/91/39/619249139.db2.gz AYRMEZHVVFSHMP-IBGZPJMESA-N 1 1 301.478 3.156 20 10 DGCDMO O[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000898555465 619284971 /nfs/dbraw/zinc/28/49/71/619284971.db2.gz MKKVFTHBJIQJKI-NEWSRXKRSA-N 1 1 300.446 3.022 20 10 DGCDMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000899181594 619316219 /nfs/dbraw/zinc/31/62/19/619316219.db2.gz GQBAWBGSQKPUPY-POZUXBRTSA-N 1 1 324.424 3.262 20 10 DGCDMO CC[C@H]1c2ccccc2C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902666453 619662529 /nfs/dbraw/zinc/66/25/29/619662529.db2.gz PYJODNOCLBSDGL-WMZOPIPTSA-N 1 1 311.381 3.285 20 10 DGCDMO CC[C@@H](NCc1cc(N(C)C)cc[nH+]1)c1ccc(N(C)C)cc1 ZINC000903202052 619735788 /nfs/dbraw/zinc/73/57/88/619735788.db2.gz VEADLYPKMCICQT-LJQANCHMSA-N 1 1 312.461 3.455 20 10 DGCDMO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000903296803 619752651 /nfs/dbraw/zinc/75/26/51/619752651.db2.gz NNBHDDNLINBNJC-IHPUGEDLSA-N 1 1 320.216 3.154 20 10 DGCDMO CC[C@H]([NH2+]Cc1ccc2nonc2c1)c1ccc(F)cc1O ZINC000903326851 619761512 /nfs/dbraw/zinc/76/15/12/619761512.db2.gz USFIVNIMNDTGCB-ZDUSSCGKSA-N 1 1 301.321 3.308 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1nccs1 ZINC000903447734 619778319 /nfs/dbraw/zinc/77/83/19/619778319.db2.gz BUDQXFCOXAWCEH-BBRMVZONSA-N 1 1 318.490 3.163 20 10 DGCDMO C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccco1 ZINC000903449175 619778585 /nfs/dbraw/zinc/77/85/85/619778585.db2.gz WBJOCSGSIIRFKC-PBHICJAKSA-N 1 1 301.434 3.299 20 10 DGCDMO C[C@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccco1 ZINC000903449177 619778710 /nfs/dbraw/zinc/77/87/10/619778710.db2.gz WBJOCSGSIIRFKC-WMLDXEAASA-N 1 1 301.434 3.299 20 10 DGCDMO COC[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000112962241 620867632 /nfs/dbraw/zinc/86/76/32/620867632.db2.gz UNTJWTOWHOGXDV-ZDUSSCGKSA-N 1 1 307.434 3.254 20 10 DGCDMO COc1cc(Br)cc(C[N@H+]2C[C@H](C)[C@H]2C)c1O ZINC000816648603 620891245 /nfs/dbraw/zinc/89/12/45/620891245.db2.gz MQFAVBZKJROALB-DTWKUNHWSA-N 1 1 300.196 3.004 20 10 DGCDMO COc1cc(Br)cc(C[N@H+]2C[C@@H](C)[C@H]2C)c1O ZINC000816648605 620891472 /nfs/dbraw/zinc/89/14/72/620891472.db2.gz MQFAVBZKJROALB-RKDXNWHRSA-N 1 1 300.196 3.004 20 10 DGCDMO C[C@@H]([NH2+]Cc1nc(Br)c[nH]1)c1ccc(N(C)C)cc1 ZINC000922014467 620980538 /nfs/dbraw/zinc/98/05/38/620980538.db2.gz IMPBPMJKXWARHM-SNVBAGLBSA-N 1 1 323.238 3.089 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCCO[C@H]1CCCCO1 ZINC000922234523 621010544 /nfs/dbraw/zinc/01/05/44/621010544.db2.gz YKALLIJUJSWYDJ-AWEZNQCLSA-N 1 1 317.788 3.208 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000857060659 621053232 /nfs/dbraw/zinc/05/32/32/621053232.db2.gz CZMVEYTVGOSXPS-DZGCQCFKSA-N 1 1 321.461 3.149 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2c(C)cc(C)nc2OC)c1 ZINC000857069055 621054158 /nfs/dbraw/zinc/05/41/58/621054158.db2.gz NHOCQOWBBNRJJH-UHFFFAOYSA-N 1 1 316.401 3.053 20 10 DGCDMO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000857757534 621117996 /nfs/dbraw/zinc/11/79/96/621117996.db2.gz KQWYGOPJLUGDMZ-MRXNPFEDSA-N 1 1 319.493 3.222 20 10 DGCDMO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000857757942 621118125 /nfs/dbraw/zinc/11/81/25/621118125.db2.gz XQBPYXZWVCXMOD-HZPDHXFCSA-N 1 1 319.493 3.268 20 10 DGCDMO Cn1nc(C2CC2)cc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000922947876 621135649 /nfs/dbraw/zinc/13/56/49/621135649.db2.gz LJFKOGNKLINWHW-UHFFFAOYSA-N 1 1 309.772 3.085 20 10 DGCDMO Cc1ccccc1[C@H](CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858147916 621158498 /nfs/dbraw/zinc/15/84/98/621158498.db2.gz DQCUQHBMZRLLQA-KRWDZBQOSA-N 1 1 320.383 3.162 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000858179550 621162101 /nfs/dbraw/zinc/16/21/01/621162101.db2.gz NWTPWPKHXGRDBL-AEFFLSMTSA-N 1 1 317.521 3.454 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1ccc(F)cc1O ZINC000858453388 621193029 /nfs/dbraw/zinc/19/30/29/621193029.db2.gz KQJQNBLVBZPOAE-WBMJQRKESA-N 1 1 301.361 3.323 20 10 DGCDMO CC[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(F)cc1O ZINC000858478973 621196330 /nfs/dbraw/zinc/19/63/30/621196330.db2.gz FYMSDDQVLFTDOQ-OCCSQVGLSA-N 1 1 316.367 3.302 20 10 DGCDMO CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000858495786 621198050 /nfs/dbraw/zinc/19/80/50/621198050.db2.gz KEOBONIMZYMZCF-LBPRGKRZSA-N 1 1 316.376 3.365 20 10 DGCDMO CCOC(=O)C1=CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2O)C1 ZINC000858505868 621199863 /nfs/dbraw/zinc/19/98/63/621199863.db2.gz BPMVFRQYMVBVLR-DZGCQCFKSA-N 1 1 307.365 3.224 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1O ZINC000859542777 621288886 /nfs/dbraw/zinc/28/88/86/621288886.db2.gz PXXKZQYOXQLECW-KGLIPLIRSA-N 1 1 309.406 3.204 20 10 DGCDMO C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000839182140 621344122 /nfs/dbraw/zinc/34/41/22/621344122.db2.gz LBLYVAFRGFNKJG-NSHDSACASA-N 1 1 300.805 3.006 20 10 DGCDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000839187954 621345783 /nfs/dbraw/zinc/34/57/83/621345783.db2.gz RXMIEUDEJBLFEZ-LBPRGKRZSA-N 1 1 317.360 3.323 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccn(C)n2)cc1F ZINC000839190162 621346410 /nfs/dbraw/zinc/34/64/10/621346410.db2.gz CXVKTTYGAJTVFX-CYBMUJFWSA-N 1 1 304.413 3.256 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)cc1F ZINC000839190163 621346486 /nfs/dbraw/zinc/34/64/86/621346486.db2.gz CXVKTTYGAJTVFX-ZDUSSCGKSA-N 1 1 304.413 3.256 20 10 DGCDMO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)[nH]1 ZINC000752924600 621416243 /nfs/dbraw/zinc/41/62/43/621416243.db2.gz HTYTWOZOCSUMII-VXGBXAGGSA-N 1 1 319.428 3.374 20 10 DGCDMO CC[N@@H+](CCOC)Cc1ccc(OCc2ccccc2)cc1O ZINC000753541156 621447484 /nfs/dbraw/zinc/44/74/84/621447484.db2.gz XWIGKPHXINEYEH-UHFFFAOYSA-N 1 1 315.413 3.440 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+](C)C[C@@H]3CC=CCC3)cc2)CC1 ZINC000753574738 621449943 /nfs/dbraw/zinc/44/99/43/621449943.db2.gz DQFBGSPQGZBJSK-GOSISDBHSA-N 1 1 313.489 3.227 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+](C)C[C@@H]3CC=CCC3)cc2)CC1 ZINC000753574738 621449945 /nfs/dbraw/zinc/44/99/45/621449945.db2.gz DQFBGSPQGZBJSK-GOSISDBHSA-N 1 1 313.489 3.227 20 10 DGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(C)cc(OC)c2O)C1(C)C ZINC000754740983 621530195 /nfs/dbraw/zinc/53/01/95/621530195.db2.gz KDUIFSRJUWFRKM-HOTGVXAUSA-N 1 1 307.434 3.345 20 10 DGCDMO COc1cc(C[N@H+]2CCOC[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000754748496 621530535 /nfs/dbraw/zinc/53/05/35/621530535.db2.gz OBKAUNHFBGPHRO-CYBMUJFWSA-N 1 1 307.434 3.167 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1F ZINC000862238193 621565384 /nfs/dbraw/zinc/56/53/84/621565384.db2.gz PKBKPYPEEFAPRN-AWEZNQCLSA-N 1 1 320.387 3.064 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1F ZINC000862238193 621565385 /nfs/dbraw/zinc/56/53/85/621565385.db2.gz PKBKPYPEEFAPRN-AWEZNQCLSA-N 1 1 320.387 3.064 20 10 DGCDMO CC(C)OCCC[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862246451 621566720 /nfs/dbraw/zinc/56/67/20/621566720.db2.gz IHMVZPCQSXNFGR-UHFFFAOYSA-N 1 1 300.393 3.278 20 10 DGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862245295 621566750 /nfs/dbraw/zinc/56/67/50/621566750.db2.gz MIADBYSIDGLGIF-CYBMUJFWSA-N 1 1 312.404 3.279 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1F ZINC000862248054 621567303 /nfs/dbraw/zinc/56/73/03/621567303.db2.gz GRGRBAZQVOIUQA-SFHVURJKSA-N 1 1 324.415 3.423 20 10 DGCDMO C[C@@H]1CCSCC[N@H+]1Cc1c(O)cccc1Br ZINC000862343448 621575349 /nfs/dbraw/zinc/57/53/49/621575349.db2.gz NVZXPYREQGTBBX-SNVBAGLBSA-N 1 1 316.264 3.482 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1F ZINC000862360258 621578221 /nfs/dbraw/zinc/57/82/21/621578221.db2.gz YWSWAUDSBQZJKU-NVXWUHKLSA-N 1 1 310.388 3.174 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@]2(C)CCCO)cc1F ZINC000862368181 621580139 /nfs/dbraw/zinc/58/01/39/621580139.db2.gz DOQFJKJZVUOIIE-KRWDZBQOSA-N 1 1 312.404 3.158 20 10 DGCDMO CCC[C@]1(CO)CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862371429 621580703 /nfs/dbraw/zinc/58/07/03/621580703.db2.gz IWPAECBSOPKVEX-KRWDZBQOSA-N 1 1 312.404 3.015 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCOc3cc(F)ccc3C2)c(O)c1 ZINC000862551096 621600855 /nfs/dbraw/zinc/60/08/55/621600855.db2.gz RIJNTMAGZURKQC-UHFFFAOYSA-N 1 1 317.360 3.325 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCOc3cc(F)ccc3C2)c(O)c1 ZINC000862551096 621600856 /nfs/dbraw/zinc/60/08/56/621600856.db2.gz RIJNTMAGZURKQC-UHFFFAOYSA-N 1 1 317.360 3.325 20 10 DGCDMO C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756363666 621631514 /nfs/dbraw/zinc/63/15/14/621631514.db2.gz QCZQDTLRLTUVAM-UONOGXRCSA-N 1 1 321.421 3.216 20 10 DGCDMO COc1ccc(O)c([C@H](C)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000756454351 621639371 /nfs/dbraw/zinc/63/93/71/621639371.db2.gz MBLVPGBGKYUZDG-FPCVCCKLSA-N 1 1 320.477 3.418 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(F)cc2F)c1 ZINC000756494481 621641979 /nfs/dbraw/zinc/64/19/79/621641979.db2.gz FKSRZVJERYWICG-JTQLQIEISA-N 1 1 321.323 3.308 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nc(C)cs2)c1 ZINC000756533763 621645976 /nfs/dbraw/zinc/64/59/76/621645976.db2.gz IBQFUOSITGUTAB-WDEREUQCSA-N 1 1 320.414 3.356 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(C2CC2)C2CC2)c1 ZINC000756614798 621652568 /nfs/dbraw/zinc/65/25/68/621652568.db2.gz ATNZIRIFPLGUNR-LLVKDONJSA-N 1 1 303.402 3.266 20 10 DGCDMO CCO[C@H](CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)C(C)C ZINC000756629309 621654189 /nfs/dbraw/zinc/65/41/89/621654189.db2.gz PFVMLLKYOBTXKG-SUMWQHHRSA-N 1 1 323.433 3.281 20 10 DGCDMO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756638664 621655253 /nfs/dbraw/zinc/65/52/53/621655253.db2.gz VQOUDIIREAYHGU-ZBEGNZNMSA-N 1 1 307.340 3.363 20 10 DGCDMO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(F)cc(F)c1O ZINC000756711859 621659980 /nfs/dbraw/zinc/65/99/80/621659980.db2.gz MUBOJBPTUODVBV-BJOHPYRUSA-N 1 1 311.303 3.194 20 10 DGCDMO C[C@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1ccc(F)cc1O ZINC000756733668 621661284 /nfs/dbraw/zinc/66/12/84/621661284.db2.gz RSGUKANVUXRQPP-JTQLQIEISA-N 1 1 317.339 3.408 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1O ZINC000756900522 621671561 /nfs/dbraw/zinc/67/15/61/621671561.db2.gz FKTDVKQLVXLGOT-BLLLJJGKSA-N 1 1 323.820 3.249 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1O ZINC000756900522 621671562 /nfs/dbraw/zinc/67/15/62/621671562.db2.gz FKTDVKQLVXLGOT-BLLLJJGKSA-N 1 1 323.820 3.249 20 10 DGCDMO CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000863543433 621682364 /nfs/dbraw/zinc/68/23/64/621682364.db2.gz OLAVOGIYUJYIAI-KPXOXKRLSA-N 1 1 303.233 3.490 20 10 DGCDMO C[C@@H]([NH2+]Cc1nc(N)c2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000839563183 621697324 /nfs/dbraw/zinc/69/73/24/621697324.db2.gz HSDJDFZPCIQWPL-CYBMUJFWSA-N 1 1 321.428 3.129 20 10 DGCDMO C[NH+](C)CCc1ccccc1NCc1ccc(F)c(F)c1O ZINC000864032853 621729570 /nfs/dbraw/zinc/72/95/70/621729570.db2.gz VSCPEFNAONMECZ-UHFFFAOYSA-N 1 1 306.356 3.387 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000757630478 621729686 /nfs/dbraw/zinc/72/96/86/621729686.db2.gz KRKAZCCBFXREQZ-ABAIWWIYSA-N 1 1 321.417 3.176 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCCS2)c1 ZINC000757659774 621732126 /nfs/dbraw/zinc/73/21/26/621732126.db2.gz ZJGGVUCOAFGFFP-WCQYABFASA-N 1 1 309.431 3.115 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(O)c1 ZINC000757864680 621743717 /nfs/dbraw/zinc/74/37/17/621743717.db2.gz BTCHDWOVSPWHEI-NVXWUHKLSA-N 1 1 307.434 3.020 20 10 DGCDMO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000865873736 622013302 /nfs/dbraw/zinc/01/33/02/622013302.db2.gz HNBGHGNLDCAHBQ-CMPLNLGQSA-N 1 1 316.239 3.102 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1ccc(F)cc1O ZINC000866563009 622138845 /nfs/dbraw/zinc/13/88/45/622138845.db2.gz IMNVLWLHCNVZJX-YVEFUNNKSA-N 1 1 300.377 3.369 20 10 DGCDMO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000765142303 622249615 /nfs/dbraw/zinc/24/96/15/622249615.db2.gz ISNISODQUQNFDL-HNNXBMFYSA-N 1 1 321.428 3.184 20 10 DGCDMO Cc1[nH+]ccn1CCN1CCCc2cc(OC(F)F)ccc21 ZINC000766251758 622315111 /nfs/dbraw/zinc/31/51/11/622315111.db2.gz YBQLEFKHOMZGEY-UHFFFAOYSA-N 1 1 307.344 3.246 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccccc2OC)c(O)c1 ZINC000768162329 622442768 /nfs/dbraw/zinc/44/27/68/622442768.db2.gz BBBMRVWBEXDWHX-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO CC[N@H+](Cc1cc(C)ccc1O)C[C@@H]1COc2ccccc2O1 ZINC000768180585 622443650 /nfs/dbraw/zinc/44/36/50/622443650.db2.gz LVYKULFXWNWNER-MRXNPFEDSA-N 1 1 313.397 3.363 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)CCOc2ccc(F)cc2)c(O)c1 ZINC000768213256 622445770 /nfs/dbraw/zinc/44/57/70/622445770.db2.gz PHGJYFHTQJCMDL-UHFFFAOYSA-N 1 1 319.376 3.441 20 10 DGCDMO C[N@@H+](CCC1CCCCC1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768443244 622456256 /nfs/dbraw/zinc/45/62/56/622456256.db2.gz BVDSGYVSECKSHG-KRWDZBQOSA-N 1 1 305.418 3.220 20 10 DGCDMO COc1cc(CN2CCC[N@H+](C3CCCC3)CC2)c(O)cc1C ZINC000768446377 622456796 /nfs/dbraw/zinc/45/67/96/622456796.db2.gz NLIRZKDCUHTTKB-UHFFFAOYSA-N 1 1 318.461 3.160 20 10 DGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)c(C)cc2O)C12CCC2 ZINC000768461923 622457418 /nfs/dbraw/zinc/45/74/18/622457418.db2.gz HQVFRXNYLMAXRV-MSOLQXFVSA-N 1 1 319.445 3.489 20 10 DGCDMO CCC[N@H+](Cc1cc(OC)c(C)cc1O)C[C@@H]1CCCCO1 ZINC000768452711 622457620 /nfs/dbraw/zinc/45/76/20/622457620.db2.gz RKPHMEBXBQTBTA-INIZCTEOSA-N 1 1 307.434 3.490 20 10 DGCDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768463619 622458334 /nfs/dbraw/zinc/45/83/34/622458334.db2.gz KNAQKBBHTFTBLD-PBHICJAKSA-N 1 1 305.418 3.219 20 10 DGCDMO CC[N@H+](Cc1cccc(Br)c1[O-])C[C@H]1CCOC1 ZINC000768521445 622461567 /nfs/dbraw/zinc/46/15/67/622461567.db2.gz QRMZTGLFZZRFKC-LLVKDONJSA-N 1 1 314.223 3.013 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000769148839 622502326 /nfs/dbraw/zinc/50/23/26/622502326.db2.gz TZAABFBNTMGVMA-CQSZACIVSA-N 1 1 320.433 3.142 20 10 DGCDMO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000769328568 622518183 /nfs/dbraw/zinc/51/81/83/622518183.db2.gz RBHKGHHGZRJYDO-IBGZPJMESA-N 1 1 324.424 3.016 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC000769326336 622518207 /nfs/dbraw/zinc/51/82/07/622518207.db2.gz JOFMJSUOQUMMLR-HNNXBMFYSA-N 1 1 321.417 3.097 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC000769326336 622518211 /nfs/dbraw/zinc/51/82/11/622518211.db2.gz JOFMJSUOQUMMLR-HNNXBMFYSA-N 1 1 321.417 3.097 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000769390165 622523934 /nfs/dbraw/zinc/52/39/34/622523934.db2.gz RBBATBHRJUIQIG-ZDUSSCGKSA-N 1 1 301.386 3.169 20 10 DGCDMO CCOc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c(O)c1 ZINC000769467701 622530198 /nfs/dbraw/zinc/53/01/98/622530198.db2.gz ZRUYYRGGLIYSOG-KRWDZBQOSA-N 1 1 318.461 3.241 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+](C)[C@H]2C[C@H](OCC)C2(C)C)c1 ZINC000769473131 622531298 /nfs/dbraw/zinc/53/12/98/622531298.db2.gz LGXBWMNMTFAVAM-IRXDYDNUSA-N 1 1 307.434 3.426 20 10 DGCDMO CCOc1ccc(C[N@H+](C)[C@@H]2C[C@@H](OCC)C2(C)C)c(O)c1 ZINC000769474882 622531512 /nfs/dbraw/zinc/53/15/12/622531512.db2.gz SWQZKCDJXDMQJC-IAGOWNOFSA-N 1 1 307.434 3.426 20 10 DGCDMO Cc1cccc(C[N@H+](C)Cc2cc(Br)ccc2O)n1 ZINC000769480781 622532284 /nfs/dbraw/zinc/53/22/84/622532284.db2.gz OVMJEYAZYDRMEG-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2CC(=O)OC)cc1 ZINC000769481488 622532340 /nfs/dbraw/zinc/53/23/40/622532340.db2.gz BERHQZWQBHKWLY-QGZVFWFLSA-N 1 1 304.434 3.060 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c(O)c1 ZINC000769484029 622533040 /nfs/dbraw/zinc/53/30/40/622533040.db2.gz JKQGENZKEOTSKE-SFHVURJKSA-N 1 1 305.418 3.184 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)[C@@H](CC)CN1C(C)=O ZINC000769494943 622534013 /nfs/dbraw/zinc/53/40/13/622534013.db2.gz CBEKDRZYYLBGND-HOTGVXAUSA-N 1 1 324.852 3.267 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)cc1F ZINC000769493531 622534034 /nfs/dbraw/zinc/53/40/34/622534034.db2.gz VCKUYNHGNADVNQ-UHFFFAOYSA-N 1 1 306.425 3.427 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1F ZINC000769493531 622534035 /nfs/dbraw/zinc/53/40/35/622534035.db2.gz VCKUYNHGNADVNQ-UHFFFAOYSA-N 1 1 306.425 3.427 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1F ZINC000769503361 622534992 /nfs/dbraw/zinc/53/49/92/622534992.db2.gz HYUWTCADSOHVFH-AWEZNQCLSA-N 1 1 322.424 3.055 20 10 DGCDMO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000769513386 622536345 /nfs/dbraw/zinc/53/63/45/622536345.db2.gz CKXBMYKPTRJJGM-MRXNPFEDSA-N 1 1 305.399 3.036 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000769513386 622536348 /nfs/dbraw/zinc/53/63/48/622536348.db2.gz CKXBMYKPTRJJGM-MRXNPFEDSA-N 1 1 305.399 3.036 20 10 DGCDMO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000770614080 622652959 /nfs/dbraw/zinc/65/29/59/622652959.db2.gz CQQDUFFUKMEVPE-GJZGRUSLSA-N 1 1 315.417 3.231 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)cc1OC ZINC000770671021 622658705 /nfs/dbraw/zinc/65/87/05/622658705.db2.gz WEDZATZORCXKJU-CYBMUJFWSA-N 1 1 305.418 3.422 20 10 DGCDMO CCCOC(=O)[C@H](C)[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000771790435 622796279 /nfs/dbraw/zinc/79/62/79/622796279.db2.gz CFVNAIBOSCOCLB-HNNXBMFYSA-N 1 1 306.450 3.305 20 10 DGCDMO CCCOC(=O)[C@H](C)[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000771790435 622796282 /nfs/dbraw/zinc/79/62/82/622796282.db2.gz CFVNAIBOSCOCLB-HNNXBMFYSA-N 1 1 306.450 3.305 20 10 DGCDMO C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(C)(C)C ZINC000771854067 622803694 /nfs/dbraw/zinc/80/36/94/622803694.db2.gz PYJBHFOYBKNOBC-MRXNPFEDSA-N 1 1 303.494 3.210 20 10 DGCDMO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773732842 623064440 /nfs/dbraw/zinc/06/44/40/623064440.db2.gz UEYFFPZSJZGFPM-KRWDZBQOSA-N 1 1 304.434 3.060 20 10 DGCDMO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773732842 623064446 /nfs/dbraw/zinc/06/44/46/623064446.db2.gz UEYFFPZSJZGFPM-KRWDZBQOSA-N 1 1 304.434 3.060 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)cc1 ZINC000773808149 623074491 /nfs/dbraw/zinc/07/44/91/623074491.db2.gz NUGJXCUNJDNJCH-GOSISDBHSA-N 1 1 312.461 3.386 20 10 DGCDMO C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2c1c(F)ccc2[O-] ZINC000873263690 623097103 /nfs/dbraw/zinc/09/71/03/623097103.db2.gz KBPUHFMBMOKQLK-AIUMHDJVSA-N 1 1 304.409 3.200 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774813901 623194613 /nfs/dbraw/zinc/19/46/13/623194613.db2.gz IOHVYTRLWSKVFV-AWEZNQCLSA-N 1 1 314.341 3.256 20 10 DGCDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCCCC1 ZINC000774820524 623196431 /nfs/dbraw/zinc/19/64/31/623196431.db2.gz CHRKMDGLQDZVOM-UHFFFAOYSA-N 1 1 308.378 3.464 20 10 DGCDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCCCC1 ZINC000774820524 623196434 /nfs/dbraw/zinc/19/64/34/623196434.db2.gz CHRKMDGLQDZVOM-UHFFFAOYSA-N 1 1 308.378 3.464 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774905801 623206991 /nfs/dbraw/zinc/20/69/91/623206991.db2.gz RVWQDDWSTQEEHM-VXGBXAGGSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+]2C[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774905801 623206994 /nfs/dbraw/zinc/20/69/94/623206994.db2.gz RVWQDDWSTQEEHM-VXGBXAGGSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000775049117 623220843 /nfs/dbraw/zinc/22/08/43/623220843.db2.gz SNWNIHATRXKQIL-UONOGXRCSA-N 1 1 320.389 3.367 20 10 DGCDMO CCC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775058980 623223384 /nfs/dbraw/zinc/22/33/84/623223384.db2.gz FYOVGQBVOQCXGE-ZDUSSCGKSA-N 1 1 308.378 3.464 20 10 DGCDMO CCC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775058980 623223390 /nfs/dbraw/zinc/22/33/90/623223390.db2.gz FYOVGQBVOQCXGE-ZDUSSCGKSA-N 1 1 308.378 3.464 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000775111283 623232100 /nfs/dbraw/zinc/23/21/00/623232100.db2.gz OAJYHSDIPFSPFN-IJLUTSLNSA-N 1 1 308.378 3.175 20 10 DGCDMO COc1c(O)c(C[N@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000775111283 623232103 /nfs/dbraw/zinc/23/21/03/623232103.db2.gz OAJYHSDIPFSPFN-IJLUTSLNSA-N 1 1 308.378 3.175 20 10 DGCDMO Oc1c(F)cc(Cl)cc1CN1CC[NH+](C2CCCC2)CC1 ZINC000775647846 623303171 /nfs/dbraw/zinc/30/31/71/623303171.db2.gz DENQOWDAFHHDIP-UHFFFAOYSA-N 1 1 312.816 3.245 20 10 DGCDMO CN1CCN(c2ccc(C[NH+](CC3CC3)CC3CC3)cc2)CC1 ZINC000775701672 623316009 /nfs/dbraw/zinc/31/60/09/623316009.db2.gz JQOJVYJHUBOGHI-UHFFFAOYSA-N 1 1 313.489 3.060 20 10 DGCDMO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775702087 623316069 /nfs/dbraw/zinc/31/60/69/623316069.db2.gz POPNMWRTSWZMFB-QGZVFWFLSA-N 1 1 301.478 3.203 20 10 DGCDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775702087 623316075 /nfs/dbraw/zinc/31/60/75/623316075.db2.gz POPNMWRTSWZMFB-QGZVFWFLSA-N 1 1 301.478 3.203 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)C[C@@H]2CCCO2)c1 ZINC000775983592 623360101 /nfs/dbraw/zinc/36/01/01/623360101.db2.gz MGVPTOBCECRSQT-LBPRGKRZSA-N 1 1 314.223 3.074 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C[C@@H]2CCCO2)c1 ZINC000775983592 623360104 /nfs/dbraw/zinc/36/01/04/623360104.db2.gz MGVPTOBCECRSQT-LBPRGKRZSA-N 1 1 314.223 3.074 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](Cc3ccccc3)C1)CCC2 ZINC000776294744 623408323 /nfs/dbraw/zinc/40/83/23/623408323.db2.gz VCWQCIOHNNCGRP-HXUWFJFHSA-N 1 1 323.436 3.324 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000777551171 623540820 /nfs/dbraw/zinc/54/08/20/623540820.db2.gz LOWVKMAJTRPVJX-INIZCTEOSA-N 1 1 312.413 3.331 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](OCC3CC3)C1)CCC2 ZINC000777556451 623541849 /nfs/dbraw/zinc/54/18/49/623541849.db2.gz SMKZWMAMFCKBCT-SFHVURJKSA-N 1 1 301.430 3.272 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000876590973 623654227 /nfs/dbraw/zinc/65/42/27/623654227.db2.gz CBMRKXUFRPZJMV-SFHVURJKSA-N 1 1 301.361 3.413 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](CC3CCSCC3)CC2)cc1 ZINC000876631079 623664842 /nfs/dbraw/zinc/66/48/42/623664842.db2.gz CTONLEWQWHWMPC-UHFFFAOYSA-N 1 1 320.502 3.351 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(O)c1 ZINC000876809183 623712367 /nfs/dbraw/zinc/71/23/67/623712367.db2.gz XEOYFNXIRGUXIR-DOTOQJQBSA-N 1 1 301.386 3.382 20 10 DGCDMO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000778996533 623718073 /nfs/dbraw/zinc/71/80/73/623718073.db2.gz PJXOMPDIJTVFCX-UHFFFAOYSA-N 1 1 317.360 3.097 20 10 DGCDMO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1Cc1ccccc1O ZINC000779007963 623720371 /nfs/dbraw/zinc/72/03/71/623720371.db2.gz OQXWENHOKQRKCJ-KRWDZBQOSA-N 1 1 310.441 3.489 20 10 DGCDMO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccon2)c1O ZINC000779028146 623723195 /nfs/dbraw/zinc/72/31/95/623723195.db2.gz ZGXFTMBJWDVSSM-SECBINFHSA-N 1 1 311.179 3.302 20 10 DGCDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC000779105771 623729866 /nfs/dbraw/zinc/72/98/66/623729866.db2.gz FJWCSVNYZVPOAW-ZIAGYGMSSA-N 1 1 320.433 3.222 20 10 DGCDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cccc(C)c1O)CC2 ZINC000779600333 623780364 /nfs/dbraw/zinc/78/03/64/623780364.db2.gz ZHSVTZYJDYZQJF-UHFFFAOYSA-N 1 1 311.381 3.046 20 10 DGCDMO Cc1ccc(C[N@H+](Cc2ccco2)C2CCN(C)CC2)c(O)c1 ZINC000877531600 623927315 /nfs/dbraw/zinc/92/73/15/623927315.db2.gz RKNXMXIHOHPZCV-UHFFFAOYSA-N 1 1 314.429 3.390 20 10 DGCDMO Cc1ccc(CN(Cc2ccco2)C2CC[NH+](C)CC2)c(O)c1 ZINC000877531600 623927320 /nfs/dbraw/zinc/92/73/20/623927320.db2.gz RKNXMXIHOHPZCV-UHFFFAOYSA-N 1 1 314.429 3.390 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c(O)c1 ZINC000877570637 623946177 /nfs/dbraw/zinc/94/61/77/623946177.db2.gz LICDFGWVEKNRLU-WBVHZDCISA-N 1 1 317.429 3.208 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000877589000 623953517 /nfs/dbraw/zinc/95/35/17/623953517.db2.gz FCHMTKFFECZCKU-FQEVSTJZSA-N 1 1 323.392 3.311 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000877589001 623953563 /nfs/dbraw/zinc/95/35/63/623953563.db2.gz FCHMTKFFECZCKU-HXUWFJFHSA-N 1 1 323.392 3.311 20 10 DGCDMO Cc1cccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1O ZINC000877589938 623953857 /nfs/dbraw/zinc/95/38/57/623953857.db2.gz UEHMUSXCDJLBCH-HXUWFJFHSA-N 1 1 323.392 3.311 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](OCc3ccccn3)C2)cc1C ZINC000877645385 623976235 /nfs/dbraw/zinc/97/62/35/623976235.db2.gz JUUARZYOEUKNEW-SFHVURJKSA-N 1 1 312.413 3.195 20 10 DGCDMO CC(C)N1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000780793292 623985757 /nfs/dbraw/zinc/98/57/57/623985757.db2.gz KZJRMVRHFRBCMY-UHFFFAOYSA-N 1 1 324.424 3.112 20 10 DGCDMO CC(C)N1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000780793292 623985760 /nfs/dbraw/zinc/98/57/60/623985760.db2.gz KZJRMVRHFRBCMY-UHFFFAOYSA-N 1 1 324.424 3.112 20 10 DGCDMO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000780893853 623995482 /nfs/dbraw/zinc/99/54/82/623995482.db2.gz UFEFUMMCDROJAE-QGZVFWFLSA-N 1 1 324.472 3.026 20 10 DGCDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000780893853 623995488 /nfs/dbraw/zinc/99/54/88/623995488.db2.gz UFEFUMMCDROJAE-QGZVFWFLSA-N 1 1 324.472 3.026 20 10 DGCDMO CCOC(=O)c1[nH]c(C)c(C[N@H+]2Cc3cccc(O)c3C2)c1C ZINC000877702538 623997773 /nfs/dbraw/zinc/99/77/73/623997773.db2.gz ANIOVBOSIKDILP-UHFFFAOYSA-N 1 1 314.385 3.030 20 10 DGCDMO COC[C@H](C)Oc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877702932 623998926 /nfs/dbraw/zinc/99/89/26/623998926.db2.gz KPUCISPWGNLJGV-AWEZNQCLSA-N 1 1 313.397 3.322 20 10 DGCDMO CCc1cccc(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c1O ZINC000877713095 624002414 /nfs/dbraw/zinc/00/24/14/624002414.db2.gz DTYAMEMUYSXUEN-GOSISDBHSA-N 1 1 323.440 3.334 20 10 DGCDMO COc1ccccc1[C@@H]1C[N@@H+](Cc2c(C)cccc2O)CCO1 ZINC000877756330 624022715 /nfs/dbraw/zinc/02/27/15/624022715.db2.gz UAXRKNOZTPAUBF-IBGZPJMESA-N 1 1 313.397 3.283 20 10 DGCDMO CCN(C(C)=O)c1nc(C[NH2+][C@H](C)c2ccccc2O)cs1 ZINC000877756566 624022779 /nfs/dbraw/zinc/02/27/79/624022779.db2.gz SNEZPEUDRDCBAI-LLVKDONJSA-N 1 1 319.430 3.072 20 10 DGCDMO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccc(C)cc1O)CC2 ZINC000877817337 624048964 /nfs/dbraw/zinc/04/89/64/624048964.db2.gz LVELGSUHKSERBU-UHFFFAOYSA-N 1 1 310.397 3.217 20 10 DGCDMO Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c(O)c1 ZINC000877820320 624050996 /nfs/dbraw/zinc/05/09/96/624050996.db2.gz HDYSWXFOJDGFGE-BXUZGUMPSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCO[C@@H](C)C2)c1 ZINC000781636933 624111677 /nfs/dbraw/zinc/11/16/77/624111677.db2.gz UWNBZISDQLFEJY-JQWIXIFHSA-N 1 1 314.223 3.120 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCO[C@H](C)C2)c1 ZINC000781636941 624111691 /nfs/dbraw/zinc/11/16/91/624111691.db2.gz UWNBZISDQLFEJY-ZYHUDNBSSA-N 1 1 314.223 3.120 20 10 DGCDMO COC1(C[NH2+]Cc2cc(C)cc(Br)c2O)CCC1 ZINC000781640078 624113348 /nfs/dbraw/zinc/11/33/48/624113348.db2.gz ZUEQLXYHOSLCAL-UHFFFAOYSA-N 1 1 314.223 3.122 20 10 DGCDMO C[C@H]1OCC[C@H]1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000878240773 624224525 /nfs/dbraw/zinc/22/45/25/624224525.db2.gz KUELRRIMHBBOSV-CABCVRRESA-N 1 1 301.386 3.412 20 10 DGCDMO COc1cc(C[N@H+]2Cc3ccccc3OC[C@H]2C)c(O)cc1C ZINC000782291372 624233369 /nfs/dbraw/zinc/23/33/69/624233369.db2.gz VDOOMKANCOSYJI-CQSZACIVSA-N 1 1 313.397 3.492 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1O ZINC000805746601 624357898 /nfs/dbraw/zinc/35/78/98/624357898.db2.gz CCMNHHIICUMWSU-KRWDZBQOSA-N 1 1 314.360 3.466 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2c2cccnc2)c1O ZINC000805746601 624357900 /nfs/dbraw/zinc/35/79/00/624357900.db2.gz CCMNHHIICUMWSU-KRWDZBQOSA-N 1 1 314.360 3.466 20 10 DGCDMO C[C@H]([NH2+]Cc1cn(C)nn1)c1ccc(N2CCCCCC2)cc1 ZINC000783531734 624362262 /nfs/dbraw/zinc/36/22/62/624362262.db2.gz FDQWZTDPSAHXOU-HNNXBMFYSA-N 1 1 313.449 3.046 20 10 DGCDMO CCOc1ccc([N@H+](CC2CC2)C[C@@H]2CCNC(=O)CC2)cc1 ZINC000879117459 624431446 /nfs/dbraw/zinc/43/14/46/624431446.db2.gz SNGSOYLFGVWLHB-INIZCTEOSA-N 1 1 316.445 3.218 20 10 DGCDMO CCOc1ccc([N@@H+](CC2CC2)C[C@@H]2CCNC(=O)CC2)cc1 ZINC000879117459 624431447 /nfs/dbraw/zinc/43/14/47/624431447.db2.gz SNGSOYLFGVWLHB-INIZCTEOSA-N 1 1 316.445 3.218 20 10 DGCDMO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1nnnn1C1CCCCC1 ZINC000879648806 624622574 /nfs/dbraw/zinc/62/25/74/624622574.db2.gz ALHNYWBWHKSHDM-CHWSQXEVSA-N 1 1 315.421 3.296 20 10 DGCDMO CCS[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000879651445 624624455 /nfs/dbraw/zinc/62/44/55/624624455.db2.gz WGIXGMFBBCWMIG-QWRGUYRKSA-N 1 1 307.419 3.440 20 10 DGCDMO CC(C)CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000879651014 624624738 /nfs/dbraw/zinc/62/47/38/624624738.db2.gz DPKAHNZQRGQHFZ-QWHCGFSZSA-N 1 1 319.405 3.360 20 10 DGCDMO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000786574835 624922667 /nfs/dbraw/zinc/92/26/67/624922667.db2.gz GQQRLOJFGBESKX-XHNCKOQMSA-N 1 1 320.202 3.368 20 10 DGCDMO CCOC(=O)[C@H](CC)[N@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000787438561 625010610 /nfs/dbraw/zinc/01/06/10/625010610.db2.gz BWXBRKRXIRMOIP-AWEZNQCLSA-N 1 1 311.809 3.352 20 10 DGCDMO CCOC(=O)[C@H](CC)[N@@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000787438561 625010612 /nfs/dbraw/zinc/01/06/12/625010612.db2.gz BWXBRKRXIRMOIP-AWEZNQCLSA-N 1 1 311.809 3.352 20 10 DGCDMO CC(C)OCC[C@H](O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000788272862 625111405 /nfs/dbraw/zinc/11/14/05/625111405.db2.gz YZVLJIFDRGJIBR-SFHVURJKSA-N 1 1 321.461 3.313 20 10 DGCDMO CCN1CCN(c2ccc(C[NH2+]C3CC(C)(C)C3)cc2F)CC1 ZINC000788577427 625220239 /nfs/dbraw/zinc/22/02/39/625220239.db2.gz MLYMSNCDFIGROI-UHFFFAOYSA-N 1 1 319.468 3.246 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc(C(F)(F)F)c1O ZINC000788593222 625221629 /nfs/dbraw/zinc/22/16/29/625221629.db2.gz GXPKGCVVBJZZEY-MNOVXSKESA-N 1 1 314.351 3.298 20 10 DGCDMO C[C@@H]([NH2+]CCOCC(F)F)c1cccc(C(F)(F)F)c1O ZINC000788774356 625263021 /nfs/dbraw/zinc/26/30/21/625263021.db2.gz CRBVDTPATWQJPN-MRVPVSSYSA-N 1 1 313.266 3.343 20 10 DGCDMO CN(CC[NH2+]Cc1c(O)ccc(Cl)c1F)Cc1ccccc1 ZINC000790954067 625722491 /nfs/dbraw/zinc/72/24/91/625722491.db2.gz KBAYAXLKTBAZRB-UHFFFAOYSA-N 1 1 322.811 3.406 20 10 DGCDMO CCN1CCCC[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790961644 625722795 /nfs/dbraw/zinc/72/27/95/625722795.db2.gz YROXXXSCMICZIP-NSHDSACASA-N 1 1 300.805 3.149 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC1(O)CCCCCC1 ZINC000790966606 625725000 /nfs/dbraw/zinc/72/50/00/625725000.db2.gz MVXQTMJAZDNOMD-UHFFFAOYSA-N 1 1 301.789 3.360 20 10 DGCDMO CCC(CC)(CC(=O)OC)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790974305 625726802 /nfs/dbraw/zinc/72/68/02/625726802.db2.gz RJHFLZRBYAQYQV-UHFFFAOYSA-N 1 1 317.788 3.396 20 10 DGCDMO CCC1(O)CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790981497 625728983 /nfs/dbraw/zinc/72/89/83/625728983.db2.gz NCIXDMMKQNZNCC-UHFFFAOYSA-N 1 1 301.789 3.358 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000790983182 625730108 /nfs/dbraw/zinc/73/01/08/625730108.db2.gz OCHUUYBXAPISKT-UHFFFAOYSA-N 1 1 321.783 3.184 20 10 DGCDMO CO[C@@H](CC[NH2+]Cc1c(O)ccc(Cl)c1F)C(F)(F)F ZINC000790990943 625732006 /nfs/dbraw/zinc/73/20/06/625732006.db2.gz IIIRWAFRLVNEAC-JTQLQIEISA-N 1 1 315.694 3.242 20 10 DGCDMO CCCOc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cn1 ZINC000882989457 625887224 /nfs/dbraw/zinc/88/72/24/625887224.db2.gz RCGAWTYOGXUXOX-UHFFFAOYSA-N 1 1 308.328 3.144 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000883017219 625898413 /nfs/dbraw/zinc/89/84/13/625898413.db2.gz BCWNNCQCLUHJPC-UHFFFAOYSA-N 1 1 319.351 3.466 20 10 DGCDMO COc1ccccc1O[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883019791 625899868 /nfs/dbraw/zinc/89/98/68/625899868.db2.gz CSDCGNASFKUHKL-NSHDSACASA-N 1 1 323.339 3.236 20 10 DGCDMO CC(C)(C)[N@@H+]1CCCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792165369 625916879 /nfs/dbraw/zinc/91/68/79/625916879.db2.gz PFGMJEDZCNFWJW-UHFFFAOYSA-N 1 1 314.832 3.491 20 10 DGCDMO CC(C)(C)[N@H+]1CCCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792165369 625916889 /nfs/dbraw/zinc/91/68/89/625916889.db2.gz PFGMJEDZCNFWJW-UHFFFAOYSA-N 1 1 314.832 3.491 20 10 DGCDMO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000792202473 625925291 /nfs/dbraw/zinc/92/52/91/625925291.db2.gz KEDFQQKWZYUTKJ-MRXNPFEDSA-N 1 1 306.450 3.305 20 10 DGCDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000792202473 625925297 /nfs/dbraw/zinc/92/52/97/625925297.db2.gz KEDFQQKWZYUTKJ-MRXNPFEDSA-N 1 1 306.450 3.305 20 10 DGCDMO COCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CC[C@@H](C)C1 ZINC000792465206 625947921 /nfs/dbraw/zinc/94/79/21/625947921.db2.gz LXSICOGRLVIKLE-MLGOLLRUSA-N 1 1 323.408 3.371 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cnn2ccccc12 ZINC000796480510 626054735 /nfs/dbraw/zinc/05/47/35/626054735.db2.gz MGKZUEKOWRBZDI-UHFFFAOYSA-N 1 1 305.740 3.122 20 10 DGCDMO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2c(F)cncc2F)c1 ZINC000796525656 626058790 /nfs/dbraw/zinc/05/87/90/626058790.db2.gz DGEXCBRDTDAMIK-JTQLQIEISA-N 1 1 308.328 3.315 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(F)cc1O ZINC000796704155 626074883 /nfs/dbraw/zinc/07/48/83/626074883.db2.gz XKFXLMYXBSCMFZ-CRAIPNDOSA-N 1 1 317.404 3.423 20 10 DGCDMO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1O ZINC000796735947 626077962 /nfs/dbraw/zinc/07/79/62/626077962.db2.gz BCHONCGTRYXNIP-DGCLKSJQSA-N 1 1 320.330 3.209 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(F)cc1O ZINC000796792330 626083681 /nfs/dbraw/zinc/08/36/81/626083681.db2.gz GSNGEZHYDYMVES-WCQYABFASA-N 1 1 301.452 3.421 20 10 DGCDMO CC[C@@H]([NH2+]CC1CCN(C(=O)OC)CC1)c1ccc(F)cc1O ZINC000797089317 626111915 /nfs/dbraw/zinc/11/19/15/626111915.db2.gz CBPGYNOJELXQDH-OAHLLOKOSA-N 1 1 324.396 3.050 20 10 DGCDMO COc1cccc(O)c1C[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000797468681 626145492 /nfs/dbraw/zinc/14/54/92/626145492.db2.gz OTGQEPZPOCEGDB-UHFFFAOYSA-N 1 1 315.266 3.247 20 10 DGCDMO C[C@@H]([NH2+]CCC1(C)OCCO1)c1cccc(C(F)(F)F)c1O ZINC000798182070 626200603 /nfs/dbraw/zinc/20/06/03/626200603.db2.gz AHLCCLMWBMPLGD-SNVBAGLBSA-N 1 1 319.323 3.215 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@](C)(O)C(F)(F)F)cc1 ZINC000799106392 626272005 /nfs/dbraw/zinc/27/20/05/626272005.db2.gz FRMLPAJSKUVEOG-HNNXBMFYSA-N 1 1 318.383 3.278 20 10 DGCDMO COc1cc(C[N@H+]2CCCC[C@H]2c2ccnn2C)c(O)cc1C ZINC000799149944 626275290 /nfs/dbraw/zinc/27/52/90/626275290.db2.gz UUBCSPSKDYDRLI-INIZCTEOSA-N 1 1 315.417 3.170 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)c1O ZINC000799737004 626326384 /nfs/dbraw/zinc/32/63/84/626326384.db2.gz QNMBXGWUQBNFPQ-UHFFFAOYSA-N 1 1 315.417 3.336 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccsc1 ZINC000800888474 626382963 /nfs/dbraw/zinc/38/29/63/626382963.db2.gz FJAJTLWPDDDVED-OAHLLOKOSA-N 1 1 315.486 3.351 20 10 DGCDMO CCCC[N@@H+](CC(=O)N1CCCC[C@@H]1C)Cc1ccccc1O ZINC000801596599 626411481 /nfs/dbraw/zinc/41/14/81/626411481.db2.gz HBBKODSTUHLODI-INIZCTEOSA-N 1 1 318.461 3.395 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)NCC(C)C ZINC000801599221 626411876 /nfs/dbraw/zinc/41/18/76/626411876.db2.gz FZTSOSVEWZWJQV-OAHLLOKOSA-N 1 1 306.450 3.155 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CN1C[C@H](C)[C@H](C)C1=O ZINC000839969692 626562934 /nfs/dbraw/zinc/56/29/34/626562934.db2.gz LTGUHWGPDUAFAO-HOTGVXAUSA-N 1 1 317.477 3.035 20 10 DGCDMO CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)[C@@H]1CCCOC1 ZINC000883352356 626657176 /nfs/dbraw/zinc/65/71/76/626657176.db2.gz ZKPUFPYRGCAKBY-BJJXKVORSA-N 1 1 321.417 3.035 20 10 DGCDMO CC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H]1CCCOC1 ZINC000883353484 626657235 /nfs/dbraw/zinc/65/72/35/626657235.db2.gz VNGVJCXMOPWURR-GXFFZTMASA-N 1 1 301.789 3.480 20 10 DGCDMO CC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H]1CCCOC1 ZINC000883353483 626657258 /nfs/dbraw/zinc/65/72/58/626657258.db2.gz VNGVJCXMOPWURR-GWCFXTLKSA-N 1 1 301.789 3.480 20 10 DGCDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000883570008 626706859 /nfs/dbraw/zinc/70/68/59/626706859.db2.gz QMZVLMAKTLJLLD-HNNXBMFYSA-N 1 1 324.428 3.180 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000028397042 626716400 /nfs/dbraw/zinc/71/64/00/626716400.db2.gz BSAGGLRYMVSSTQ-UHFFFAOYSA-N 1 1 313.401 3.335 20 10 DGCDMO COCC[N@@H+](Cc1cccc(Br)c1O)CC(C)C ZINC000132645863 626732723 /nfs/dbraw/zinc/73/27/23/626732723.db2.gz NZSJSGXILRKPMP-UHFFFAOYSA-N 1 1 316.239 3.259 20 10 DGCDMO COCC[N@H+](Cc1cccc(Br)c1O)CC(C)C ZINC000132645863 626732725 /nfs/dbraw/zinc/73/27/25/626732725.db2.gz NZSJSGXILRKPMP-UHFFFAOYSA-N 1 1 316.239 3.259 20 10 DGCDMO CC[N@H+](Cc1cccc(Br)c1[O-])C[C@@H]1CCCO1 ZINC000132661543 626732959 /nfs/dbraw/zinc/73/29/59/626732959.db2.gz VYCUGBRSUHZQKM-LBPRGKRZSA-N 1 1 314.223 3.156 20 10 DGCDMO CC[N@@H+](Cc1cccc(Br)c1O)C[C@@H]1CCCO1 ZINC000132661543 626732964 /nfs/dbraw/zinc/73/29/64/626732964.db2.gz VYCUGBRSUHZQKM-LBPRGKRZSA-N 1 1 314.223 3.156 20 10 DGCDMO CC[N@H+](Cc1cccc(Br)c1O)C[C@@H]1CCCO1 ZINC000132661543 626732966 /nfs/dbraw/zinc/73/29/66/626732966.db2.gz VYCUGBRSUHZQKM-LBPRGKRZSA-N 1 1 314.223 3.156 20 10 DGCDMO COc1cc(C[N@H+]2CCOC[C@H]2CC2CCC2)c(O)cc1C ZINC000840093746 626755547 /nfs/dbraw/zinc/75/55/47/626755547.db2.gz JWGSBOHEFODGTC-MRXNPFEDSA-N 1 1 305.418 3.100 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)CCCC2 ZINC000840119978 626772002 /nfs/dbraw/zinc/77/20/02/626772002.db2.gz JVMIQAZNJDEKMW-OTWHNJEPSA-N 1 1 315.457 3.396 20 10 DGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)c2nnnn2C2CC2)c1O ZINC000808716437 626853227 /nfs/dbraw/zinc/85/32/27/626853227.db2.gz NOLYMJIMNILMQT-NXEZZACHSA-N 1 1 321.812 3.087 20 10 DGCDMO Oc1ccccc1C[NH2+]Cc1cccc(Br)c1O ZINC000134235723 626865612 /nfs/dbraw/zinc/86/56/12/626865612.db2.gz RIDYOFGFEZLWHI-UHFFFAOYSA-N 1 1 308.175 3.150 20 10 DGCDMO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c(O)ccc(Cl)c1F ZINC000809703675 626939564 /nfs/dbraw/zinc/93/95/64/626939564.db2.gz OIFZJOHYJQCPCE-NEPJUHHUSA-N 1 1 312.816 3.243 20 10 DGCDMO COc1cccc(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)c1O ZINC000809739485 626944308 /nfs/dbraw/zinc/94/43/08/626944308.db2.gz MHQVDMIMFONFSM-UHFFFAOYSA-N 1 1 309.369 3.081 20 10 DGCDMO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809768605 626949997 /nfs/dbraw/zinc/94/99/97/626949997.db2.gz QCIQLRMUEAZOCL-FUHWJXTLSA-N 1 1 301.478 3.201 20 10 DGCDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809768605 626949999 /nfs/dbraw/zinc/94/99/99/626949999.db2.gz QCIQLRMUEAZOCL-FUHWJXTLSA-N 1 1 301.478 3.201 20 10 DGCDMO Cc1cc(O)c(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)cc1C(C)C ZINC000840187661 626958473 /nfs/dbraw/zinc/95/84/73/626958473.db2.gz WDFDKKSAGCYZIR-MRXNPFEDSA-N 1 1 318.461 3.313 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)Cc1cccnc1[N+](=O)[O-] ZINC000886028763 627087890 /nfs/dbraw/zinc/08/78/90/627087890.db2.gz WFKWDOYXMCAMFG-UHFFFAOYSA-N 1 1 301.346 3.108 20 10 DGCDMO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2c(O)cccc2F)cc1 ZINC000886543494 627160414 /nfs/dbraw/zinc/16/04/14/627160414.db2.gz PSIXCZJEJUFXLB-MLGOLLRUSA-N 1 1 319.376 3.314 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1c(O)cccc1F ZINC000886553897 627162554 /nfs/dbraw/zinc/16/25/54/627162554.db2.gz XRDBRDPSOHHGOL-OZVIIMIRSA-N 1 1 311.422 3.237 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)ccc1N1CCCCC1 ZINC000886573155 627165888 /nfs/dbraw/zinc/16/58/88/627165888.db2.gz WLIXDDBFYWEVHP-NSHGMRRFSA-N 1 1 314.473 3.188 20 10 DGCDMO C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1c(O)cccc1F ZINC000886594075 627169166 /nfs/dbraw/zinc/16/91/66/627169166.db2.gz FRXQXWLICOLHKX-ACJLOTCBSA-N 1 1 303.377 3.480 20 10 DGCDMO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886592577 627169481 /nfs/dbraw/zinc/16/94/81/627169481.db2.gz XNZMRRNJLJKNKL-MNOVXSKESA-N 1 1 312.385 3.095 20 10 DGCDMO C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1c(O)cccc1F ZINC000886607666 627172003 /nfs/dbraw/zinc/17/20/03/627172003.db2.gz WFBHZDJGJXTPDO-VIFPVBQESA-N 1 1 312.291 3.379 20 10 DGCDMO C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1c(O)cccc1F ZINC000886636716 627177709 /nfs/dbraw/zinc/17/77/09/627177709.db2.gz SXWXZQXPEYRIFG-CYBMUJFWSA-N 1 1 315.392 3.377 20 10 DGCDMO C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1c(O)cccc1F ZINC000886646158 627179480 /nfs/dbraw/zinc/17/94/80/627179480.db2.gz AVHDTVSOOALSCF-GFCCVEGCSA-N 1 1 301.361 3.455 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H](O)Cc1ccccc1F)c1ccc(F)cc1O ZINC000886674512 627186974 /nfs/dbraw/zinc/18/69/74/627186974.db2.gz MVCHDPFMDOFUMG-YOEHRIQHSA-N 1 1 321.367 3.315 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1O ZINC000886830807 627209427 /nfs/dbraw/zinc/20/94/27/627209427.db2.gz XOJKWCDKRHFEBB-MLGOLLRUSA-N 1 1 323.820 3.249 20 10 DGCDMO CCCC[C@H](C)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000811520571 627287148 /nfs/dbraw/zinc/28/71/48/627287148.db2.gz QQMBCKRSUQMSJC-KRWDZBQOSA-N 1 1 303.494 3.449 20 10 DGCDMO CCCC[C@H](C)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000811520571 627287149 /nfs/dbraw/zinc/28/71/49/627287149.db2.gz QQMBCKRSUQMSJC-KRWDZBQOSA-N 1 1 303.494 3.449 20 10 DGCDMO CC1(C)C[N@@H+](Cc2c(O)ccc3ccncc32)[C@H]1[C@H]1CCCO1 ZINC000811776214 627319890 /nfs/dbraw/zinc/31/98/90/627319890.db2.gz LHYWBKQGNGBFRA-MSOLQXFVSA-N 1 1 312.413 3.330 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000812294403 627368246 /nfs/dbraw/zinc/36/82/46/627368246.db2.gz MBIQBQJFVIZVJY-HNNXBMFYSA-N 1 1 315.417 3.039 20 10 DGCDMO CC[C@H]1CC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000814179080 627546634 /nfs/dbraw/zinc/54/66/34/627546634.db2.gz PALNDPQCZZPKOK-NSHDSACASA-N 1 1 300.196 3.148 20 10 DGCDMO Cc1ccoc1C[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000814174844 627546725 /nfs/dbraw/zinc/54/67/25/627546725.db2.gz KSASZPOEYSXRLR-UHFFFAOYSA-N 1 1 318.392 3.196 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000814180024 627548133 /nfs/dbraw/zinc/54/81/33/627548133.db2.gz MGIITYYXQDDLCH-QGZVFWFLSA-N 1 1 316.445 3.203 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000814180024 627548136 /nfs/dbraw/zinc/54/81/36/627548136.db2.gz MGIITYYXQDDLCH-QGZVFWFLSA-N 1 1 316.445 3.203 20 10 DGCDMO Cc1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)ccc1N(C)C ZINC000815055116 627619381 /nfs/dbraw/zinc/61/93/81/627619381.db2.gz WESBEOGFZZHADI-LJQANCHMSA-N 1 1 315.505 3.369 20 10 DGCDMO Cc1cc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1N(C)C ZINC000815056032 627619963 /nfs/dbraw/zinc/61/99/63/627619963.db2.gz YWJPGRKYZVFEPA-LJQANCHMSA-N 1 1 315.505 3.225 20 10 DGCDMO Cc1cc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1N(C)C ZINC000815056032 627619964 /nfs/dbraw/zinc/61/99/64/627619964.db2.gz YWJPGRKYZVFEPA-LJQANCHMSA-N 1 1 315.505 3.225 20 10 DGCDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000815070936 627622356 /nfs/dbraw/zinc/62/23/56/627622356.db2.gz APJVSZIONUVRRC-VQIMIIECSA-N 1 1 303.494 3.223 20 10 DGCDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000815070936 627622363 /nfs/dbraw/zinc/62/23/63/627622363.db2.gz APJVSZIONUVRRC-VQIMIIECSA-N 1 1 303.494 3.223 20 10 DGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000815070936 627622365 /nfs/dbraw/zinc/62/23/65/627622365.db2.gz APJVSZIONUVRRC-VQIMIIECSA-N 1 1 303.494 3.223 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](CCOC)Cc2ccccn2)cc1 ZINC000815117886 627628940 /nfs/dbraw/zinc/62/89/40/627628940.db2.gz IEZKJAFVOBUWJY-UHFFFAOYSA-N 1 1 313.445 3.186 20 10 DGCDMO CCN(C)c1ccc(C[N@H+](C)[C@@H](CC(C)C)C(=O)OC)cc1 ZINC000815121165 627630899 /nfs/dbraw/zinc/63/08/99/627630899.db2.gz ROIIFYSJNPJWKU-KRWDZBQOSA-N 1 1 306.450 3.162 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H](CC(C)C)C(=O)OC)cc1 ZINC000815121165 627630904 /nfs/dbraw/zinc/63/09/04/627630904.db2.gz ROIIFYSJNPJWKU-KRWDZBQOSA-N 1 1 306.450 3.162 20 10 DGCDMO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)on1 ZINC000924646324 627662256 /nfs/dbraw/zinc/66/22/56/627662256.db2.gz AJGJGZWEXXTEFF-ZDUSSCGKSA-N 1 1 301.390 3.134 20 10 DGCDMO C[C@H]([NH2+]CC(C)(C)N(C)C)c1cccc(C(F)(F)F)c1O ZINC000815553036 627684244 /nfs/dbraw/zinc/68/42/44/627684244.db2.gz QIZCDOBHPWRCQJ-JTQLQIEISA-N 1 1 304.356 3.402 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(C(F)(F)F)c1O ZINC000815565881 627685370 /nfs/dbraw/zinc/68/53/70/627685370.db2.gz CLCKPBDKPBIRTR-MNOVXSKESA-N 1 1 302.340 3.156 20 10 DGCDMO CC[C@@H](CCO)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815587447 627688276 /nfs/dbraw/zinc/68/82/76/627688276.db2.gz JWNPCQSVCALHQA-MNOVXSKESA-N 1 1 305.340 3.470 20 10 DGCDMO CC[C@H](CCO)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815587446 627688337 /nfs/dbraw/zinc/68/83/37/627688337.db2.gz JWNPCQSVCALHQA-GHMZBOCLSA-N 1 1 305.340 3.470 20 10 DGCDMO C[C@H]([NH2+]CCc1ccn(C)n1)c1cccc(C(F)(F)F)c1O ZINC000815616296 627690807 /nfs/dbraw/zinc/69/08/07/627690807.db2.gz KWEVFMKHQGGTJM-JTQLQIEISA-N 1 1 313.323 3.038 20 10 DGCDMO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1O ZINC000815615702 627690821 /nfs/dbraw/zinc/69/08/21/627690821.db2.gz VLLAQYQHTGLUNV-MNOVXSKESA-N 1 1 303.324 3.488 20 10 DGCDMO C[C@H]([NH2+]CCc1ccnn1C)c1cccc(C(F)(F)F)c1O ZINC000815616681 627690927 /nfs/dbraw/zinc/69/09/27/627690927.db2.gz VTLSCPCWXWGZET-JTQLQIEISA-N 1 1 313.323 3.038 20 10 DGCDMO C[C@H](c1ccc(N(C)C)cc1)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925750952 627787206 /nfs/dbraw/zinc/78/72/06/627787206.db2.gz WRULUKPAGMEMSG-CQSZACIVSA-N 1 1 311.429 3.290 20 10 DGCDMO C[C@H](c1cc(F)ccc1O)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925755473 627789216 /nfs/dbraw/zinc/78/92/16/627789216.db2.gz WGNIYNHDFGONMR-LLVKDONJSA-N 1 1 302.349 3.069 20 10 DGCDMO C[C@@H](CN1CCCCC1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816534730 627803624 /nfs/dbraw/zinc/80/36/24/627803624.db2.gz SFJIUZWKUQNSQN-NSHDSACASA-N 1 1 300.805 3.149 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCOc1cccc(F)c1 ZINC000816536662 627804126 /nfs/dbraw/zinc/80/41/26/627804126.db2.gz GFLPWPUJMCEUFW-UHFFFAOYSA-N 1 1 313.731 3.492 20 10 DGCDMO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816550443 627805980 /nfs/dbraw/zinc/80/59/80/627805980.db2.gz RCUXXEIFFLTUPY-ZBEGNZNMSA-N 1 1 323.795 3.439 20 10 DGCDMO OC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc(F)c1 ZINC000816550311 627805992 /nfs/dbraw/zinc/80/59/92/627805992.db2.gz NVQUHSWSMPIMQA-AWEZNQCLSA-N 1 1 313.731 3.147 20 10 DGCDMO Cc1ccc(C[N@H+](CCO)Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816567111 627809477 /nfs/dbraw/zinc/80/94/77/627809477.db2.gz QNTJUEKLBJTPIS-UHFFFAOYSA-N 1 1 323.795 3.488 20 10 DGCDMO Cc1ccc(C[N@@H+](CCO)Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816567111 627809482 /nfs/dbraw/zinc/80/94/82/627809482.db2.gz QNTJUEKLBJTPIS-UHFFFAOYSA-N 1 1 323.795 3.488 20 10 DGCDMO OC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccsc1 ZINC000816571321 627810329 /nfs/dbraw/zinc/81/03/29/627810329.db2.gz ZPUHTFRSADZHIR-GFCCVEGCSA-N 1 1 301.770 3.069 20 10 DGCDMO COC(=O)CC1([NH2+]Cc2cc(Cl)c(F)cc2O)CCCC1 ZINC000816595016 627812871 /nfs/dbraw/zinc/81/28/71/627812871.db2.gz WKCQLYOKCVBLTJ-UHFFFAOYSA-N 1 1 315.772 3.150 20 10 DGCDMO CN1CCC[C@@]2(CC[N@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816642074 627818409 /nfs/dbraw/zinc/81/84/09/627818409.db2.gz OQHMNSMIXZPZOH-HXUWFJFHSA-N 1 1 310.441 3.463 20 10 DGCDMO CN1CCC[C@@]2(CC[N@@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816642074 627818413 /nfs/dbraw/zinc/81/84/13/627818413.db2.gz OQHMNSMIXZPZOH-HXUWFJFHSA-N 1 1 310.441 3.463 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000816647871 627820222 /nfs/dbraw/zinc/82/02/22/627820222.db2.gz ZHCALMXNIDPVJY-KGLIPLIRSA-N 1 1 303.406 3.425 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000816667799 627823122 /nfs/dbraw/zinc/82/31/22/627823122.db2.gz XHQNBFUHIKLJMR-INIZCTEOSA-N 1 1 305.418 3.182 20 10 DGCDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000817414075 627896382 /nfs/dbraw/zinc/89/63/82/627896382.db2.gz FUYHFQKBVKWKPY-BXUZGUMPSA-N 1 1 316.367 3.117 20 10 DGCDMO Cc1ccc2c(c1)CC[C@H]2NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938558 627966721 /nfs/dbraw/zinc/96/67/21/627966721.db2.gz MZMAICANSUOCOG-VQTJNVASSA-N 1 1 309.457 3.338 20 10 DGCDMO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000817939096 627967617 /nfs/dbraw/zinc/96/76/17/627967617.db2.gz YVTNBBNCUWOFDW-ACJLOTCBSA-N 1 1 301.409 3.242 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000817938969 627967774 /nfs/dbraw/zinc/96/77/74/627967774.db2.gz WNRRDMUONLWSPB-RTBURBONSA-N 1 1 313.420 3.169 20 10 DGCDMO Cc1cc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC000817939999 627967779 /nfs/dbraw/zinc/96/77/79/627967779.db2.gz DSRDFWRRSXIWIV-DYVFJYSZSA-N 1 1 303.475 3.473 20 10 DGCDMO CCC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817944101 627969569 /nfs/dbraw/zinc/96/95/69/627969569.db2.gz XHEUYSWYRCETRA-ZWKOTPCHSA-N 1 1 312.461 3.278 20 10 DGCDMO CC[NH2+]CCCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817942668 627969745 /nfs/dbraw/zinc/96/97/45/627969745.db2.gz CNXBEKUZDBJZJJ-HNNXBMFYSA-N 1 1 307.457 3.466 20 10 DGCDMO N[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)C1CC1 ZINC000817965336 627977482 /nfs/dbraw/zinc/97/74/82/627977482.db2.gz OQWWYBPTDNICTF-RBUKOAKNSA-N 1 1 310.441 3.393 20 10 DGCDMO CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000817970466 627978959 /nfs/dbraw/zinc/97/89/59/627978959.db2.gz WHNOJOHECDPVTQ-SWHYSGLUSA-N 1 1 316.367 3.450 20 10 DGCDMO C[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817970767 627979717 /nfs/dbraw/zinc/97/97/17/627979717.db2.gz DQZWUQGHIMECKJ-RLFYNMQTSA-N 1 1 319.468 3.465 20 10 DGCDMO C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000817976544 627981619 /nfs/dbraw/zinc/98/16/19/627981619.db2.gz NERKVNTXSSFJTQ-QWRGUYRKSA-N 1 1 315.255 3.323 20 10 DGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1[O-] ZINC000817985695 627984079 /nfs/dbraw/zinc/98/40/79/627984079.db2.gz GYHNMPYSLSBXPV-SFDCQRBFSA-N 1 1 308.853 3.393 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCS[C@@H](C)C2)c1 ZINC000927032411 628000171 /nfs/dbraw/zinc/00/01/71/628000171.db2.gz MZKIGKDHMQUKIG-GVXVVHGQSA-N 1 1 309.431 3.114 20 10 DGCDMO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)s1 ZINC000818357041 628017525 /nfs/dbraw/zinc/01/75/25/628017525.db2.gz UUWCWMHQCBWRPC-WDEREUQCSA-N 1 1 320.414 3.356 20 10 DGCDMO C[C@@H]1CC2(C[N@H+]1Cc1c([O-])ccc(Cl)c1F)CC[NH2+]CC2 ZINC000818431606 628022395 /nfs/dbraw/zinc/02/23/95/628022395.db2.gz PUJDTCPNTWZPIA-LLVKDONJSA-N 1 1 312.816 3.149 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](n3ccnn3)C2)cc1C(C)C ZINC000819894732 628196920 /nfs/dbraw/zinc/19/69/20/628196920.db2.gz AKKAYMJYMDASHY-INIZCTEOSA-N 1 1 314.433 3.253 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](c3ccncc3)C2)c1O ZINC000821272778 628352213 /nfs/dbraw/zinc/35/22/13/628352213.db2.gz YQTBFOOFVAENJC-AWEZNQCLSA-N 1 1 314.360 3.118 20 10 DGCDMO CN(C)c1ccc(C[NH2+]Cc2ccnc(Cl)c2F)cc1F ZINC000823736717 628591591 /nfs/dbraw/zinc/59/15/91/628591591.db2.gz LMNCDVBGIRASOA-UHFFFAOYSA-N 1 1 311.763 3.369 20 10 DGCDMO Cc1ncc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1C ZINC000824568146 628671669 /nfs/dbraw/zinc/67/16/69/628671669.db2.gz ZVGZPQNIPOGRJD-UHFFFAOYSA-N 1 1 300.450 3.205 20 10 DGCDMO COC[C@@H](C)Oc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000824593633 628674932 /nfs/dbraw/zinc/67/49/32/628674932.db2.gz RHXWJWWEIJDPAY-OAHLLOKOSA-N 1 1 315.413 3.438 20 10 DGCDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824636292 628679526 /nfs/dbraw/zinc/67/95/26/628679526.db2.gz OODMAUSOOCOSBT-IEBWSBKVSA-N 1 1 302.462 3.270 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824721721 628687787 /nfs/dbraw/zinc/68/77/87/628687787.db2.gz IFSFWLMHAOSDKQ-LERXQTSPSA-N 1 1 313.800 3.310 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824721721 628687788 /nfs/dbraw/zinc/68/77/88/628687788.db2.gz IFSFWLMHAOSDKQ-LERXQTSPSA-N 1 1 313.800 3.310 20 10 DGCDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)[nH]1 ZINC000824933892 628708847 /nfs/dbraw/zinc/70/88/47/628708847.db2.gz KIGOKKOSJGADTM-LBPRGKRZSA-N 1 1 320.824 3.160 20 10 DGCDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC000824933892 628708848 /nfs/dbraw/zinc/70/88/48/628708848.db2.gz KIGOKKOSJGADTM-LBPRGKRZSA-N 1 1 320.824 3.160 20 10 DGCDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC000824933892 628708849 /nfs/dbraw/zinc/70/88/49/628708849.db2.gz KIGOKKOSJGADTM-LBPRGKRZSA-N 1 1 320.824 3.160 20 10 DGCDMO Cc1nc([C@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)n[nH]1 ZINC000824933892 628708851 /nfs/dbraw/zinc/70/88/51/628708851.db2.gz KIGOKKOSJGADTM-LBPRGKRZSA-N 1 1 320.824 3.160 20 10 DGCDMO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)n[nH]1 ZINC000824933892 628708853 /nfs/dbraw/zinc/70/88/53/628708853.db2.gz KIGOKKOSJGADTM-LBPRGKRZSA-N 1 1 320.824 3.160 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124150 628730627 /nfs/dbraw/zinc/73/06/27/628730627.db2.gz IVXCEYURVVDXKL-NOZJJQNGSA-N 1 1 323.742 3.099 20 10 DGCDMO COC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000825321637 628749194 /nfs/dbraw/zinc/74/91/94/628749194.db2.gz JRXXSLJWCWSVDH-LLVKDONJSA-N 1 1 301.789 3.433 20 10 DGCDMO COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000825321637 628749195 /nfs/dbraw/zinc/74/91/95/628749195.db2.gz JRXXSLJWCWSVDH-LLVKDONJSA-N 1 1 301.789 3.433 20 10 DGCDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2c([O-])ccc(Cl)c2F)C1 ZINC000825337240 628751519 /nfs/dbraw/zinc/75/15/19/628751519.db2.gz FESDDSAJZKQMAB-NSHDSACASA-N 1 1 300.805 3.099 20 10 DGCDMO CC(C)[N@@H+]1CC[C@H](N(C)Cc2c(O)ccc(Cl)c2F)C1 ZINC000825337240 628751521 /nfs/dbraw/zinc/75/15/21/628751521.db2.gz FESDDSAJZKQMAB-NSHDSACASA-N 1 1 300.805 3.099 20 10 DGCDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2c(O)ccc(Cl)c2F)C1 ZINC000825337240 628751522 /nfs/dbraw/zinc/75/15/22/628751522.db2.gz FESDDSAJZKQMAB-NSHDSACASA-N 1 1 300.805 3.099 20 10 DGCDMO CC[N@H+](Cc1cc(Cl)c(C)cc1O)C[C@@H](O)C(F)(F)F ZINC000825561708 628773678 /nfs/dbraw/zinc/77/36/78/628773678.db2.gz GIKYTVNMMLTFJA-GFCCVEGCSA-N 1 1 311.731 3.099 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H]2CCO)c(O)c(C(C)(C)C)c1 ZINC000825566894 628774189 /nfs/dbraw/zinc/77/41/89/628774189.db2.gz BKXIZOOYFJQYBQ-CQSZACIVSA-N 1 1 307.434 3.045 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1Cl ZINC000826048665 628823157 /nfs/dbraw/zinc/82/31/57/628823157.db2.gz JSPBXGZXTCHCEB-NUEKZKHPSA-N 1 1 309.837 3.479 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000827172338 628931526 /nfs/dbraw/zinc/93/15/26/628931526.db2.gz RIAMONHTGZNRPA-GDBMZVCRSA-N 1 1 307.752 3.453 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H]3COC[C@H]3C2)cc1F ZINC000827596231 628975329 /nfs/dbraw/zinc/97/53/29/628975329.db2.gz WVBMVRSVMUGGJI-JKSUJKDBSA-N 1 1 306.425 3.140 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCOc3ccc(O)cc3C2)cc1 ZINC000827655657 628980220 /nfs/dbraw/zinc/98/02/20/628980220.db2.gz ADHSAJWAVSCYHB-ONEGZZNKSA-N 1 1 324.424 3.366 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCOc3ccc(O)cc3C2)cc1 ZINC000827655657 628980222 /nfs/dbraw/zinc/98/02/22/628980222.db2.gz ADHSAJWAVSCYHB-ONEGZZNKSA-N 1 1 324.424 3.366 20 10 DGCDMO CCOc1cccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1O ZINC000827849979 628997171 /nfs/dbraw/zinc/99/71/71/628997171.db2.gz KYBMILZTFIEFEP-KDURUIRLSA-N 1 1 317.429 3.184 20 10 DGCDMO C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)c1ccccc1O ZINC000827941163 629006046 /nfs/dbraw/zinc/00/60/46/629006046.db2.gz OHSGJPOHDMEEOK-CQSZACIVSA-N 1 1 304.434 3.224 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)ccc1N(C)C ZINC000828910097 629108455 /nfs/dbraw/zinc/10/84/55/629108455.db2.gz CNIIEXLQEQSRCI-MJGOQNOKSA-N 1 1 302.462 3.452 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1O ZINC000830617666 629288102 /nfs/dbraw/zinc/28/81/02/629288102.db2.gz QWEOATRGANOOJC-GFCCVEGCSA-N 1 1 321.392 3.125 20 10 DGCDMO CC[C@@H]([NH2+]Cc1nnc(C(C)C)[nH]1)c1ccc(N(C)C)cc1 ZINC000834869745 629794291 /nfs/dbraw/zinc/79/42/91/629794291.db2.gz FWPZKCMYPYGDCS-OAHLLOKOSA-N 1 1 301.438 3.235 20 10 DGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2nn(C)cc2Cl)c2c1c(F)ccc2O ZINC000834882142 629796840 /nfs/dbraw/zinc/79/68/40/629796840.db2.gz GAQLLRLDYPISOK-LDYMZIIASA-N 1 1 309.772 3.256 20 10 DGCDMO CC[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)[C@H](C)O ZINC000834888224 629798599 /nfs/dbraw/zinc/79/85/99/629798599.db2.gz NPWQBHLFDAOASN-UBJUHAIHSA-N 1 1 320.202 3.104 20 10 DGCDMO CCN1CC[C@H]([N@H+](C)C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835026113 629827363 /nfs/dbraw/zinc/82/73/63/629827363.db2.gz QMDXNSFXYFLSPS-KQCIVJTHSA-N 1 1 315.505 3.428 20 10 DGCDMO CCN1CC[C@H]([N@@H+](C)C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835026113 629827366 /nfs/dbraw/zinc/82/73/66/629827366.db2.gz QMDXNSFXYFLSPS-KQCIVJTHSA-N 1 1 315.505 3.428 20 10 DGCDMO CC[N@@H+]1CC[C@H](N(C)C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835026113 629827369 /nfs/dbraw/zinc/82/73/69/629827369.db2.gz QMDXNSFXYFLSPS-KQCIVJTHSA-N 1 1 315.505 3.428 20 10 DGCDMO CC[N@H+]1CC[C@H](N(C)C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835026113 629827373 /nfs/dbraw/zinc/82/73/73/629827373.db2.gz QMDXNSFXYFLSPS-KQCIVJTHSA-N 1 1 315.505 3.428 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000835025808 629827441 /nfs/dbraw/zinc/82/74/41/629827441.db2.gz NPLVQYMPIUPLEF-RCFWFJCLSA-N 1 1 310.445 3.369 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000835029572 629829093 /nfs/dbraw/zinc/82/90/93/629829093.db2.gz RKSWMYYAVUROTM-TUOCYHOTSA-N 1 1 300.446 3.267 20 10 DGCDMO CC[C@H](CNC/C=C\c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000835035930 629830318 /nfs/dbraw/zinc/83/03/18/629830318.db2.gz LQGOQYRKMCJNLK-JTHGQSKGSA-N 1 1 301.478 3.230 20 10 DGCDMO CC(C)[NH+]1CCC(NC/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835037182 629831158 /nfs/dbraw/zinc/83/11/58/629831158.db2.gz SYVRWCBZWWEATL-WAYWQWQTSA-N 1 1 301.478 3.228 20 10 DGCDMO CC(C)N1CCC([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835037182 629831162 /nfs/dbraw/zinc/83/11/62/629831162.db2.gz SYVRWCBZWWEATL-WAYWQWQTSA-N 1 1 301.478 3.228 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000835054899 629838831 /nfs/dbraw/zinc/83/88/31/629838831.db2.gz MYRQVTMJTXGGFD-SIEMBAAWSA-N 1 1 300.446 3.268 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000835054661 629839088 /nfs/dbraw/zinc/83/90/88/629839088.db2.gz LZCBAWLLDHLVDS-QWNKOJSDSA-N 1 1 302.462 3.249 20 10 DGCDMO CC1(C)C[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000835060592 629841022 /nfs/dbraw/zinc/84/10/22/629841022.db2.gz RVWXCURQYCGVFO-JTQLQIEISA-N 1 1 301.789 3.480 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CC[C@@H](C)O2)c1 ZINC000835086092 629847639 /nfs/dbraw/zinc/84/76/39/629847639.db2.gz FBIKOAMCXAAVSR-ZYHUDNBSSA-N 1 1 314.223 3.120 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C)nn2)cc1F ZINC000840896936 630374295 /nfs/dbraw/zinc/37/42/95/630374295.db2.gz MGDIPHZGFLVVMG-UHFFFAOYSA-N 1 1 302.397 3.060 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCCN(CC(F)F)CC2)c(Cl)c1 ZINC000840948703 630382460 /nfs/dbraw/zinc/38/24/60/630382460.db2.gz JNVDIZOFSBMGOS-UHFFFAOYSA-N 1 1 318.795 3.127 20 10 DGCDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3c(O)cc(C)cc3Cl)C2)c1 ZINC000840947795 630382567 /nfs/dbraw/zinc/38/25/67/630382567.db2.gz MIUVCEPQCCNYGH-CYBMUJFWSA-N 1 1 305.809 3.306 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CC=C(c3ccnn3C)CC2)c(Cl)c1 ZINC000840948765 630382925 /nfs/dbraw/zinc/38/29/25/630382925.db2.gz ZHOSNFYWHKSUQQ-UHFFFAOYSA-N 1 1 317.820 3.377 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000840953010 630383665 /nfs/dbraw/zinc/38/36/65/630383665.db2.gz KNBUTVCYEMHUJC-UHFFFAOYSA-N 1 1 321.465 3.018 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000840949588 630383687 /nfs/dbraw/zinc/38/36/87/630383687.db2.gz YPOKIXQIHNRRMH-RBUKOAKNSA-N 1 1 300.446 3.204 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c1O ZINC000840955290 630384038 /nfs/dbraw/zinc/38/40/38/630384038.db2.gz TWNBWJVTFZRIML-OAHLLOKOSA-N 1 1 311.809 3.055 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c1O ZINC000840955290 630384040 /nfs/dbraw/zinc/38/40/40/630384040.db2.gz TWNBWJVTFZRIML-OAHLLOKOSA-N 1 1 311.809 3.055 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840956151 630385087 /nfs/dbraw/zinc/38/50/87/630385087.db2.gz HJOQFQOCQJZHDN-HZPDHXFCSA-N 1 1 303.789 3.354 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CS[C@@H](C)C2)c1 ZINC000840958056 630385322 /nfs/dbraw/zinc/38/53/22/630385322.db2.gz IDCOUISFCWWZPA-GXSJLCMTSA-N 1 1 316.264 3.447 20 10 DGCDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000840978135 630390091 /nfs/dbraw/zinc/39/00/91/630390091.db2.gz LKEMROZDUMYQNJ-SJLPKXTDSA-N 1 1 302.462 3.270 20 10 DGCDMO [NH3+][C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H]1c1cccc(F)c1 ZINC000841104706 630408513 /nfs/dbraw/zinc/40/85/13/630408513.db2.gz XWCHZYMHCSRYEW-GOEBONIOSA-N 1 1 320.795 3.111 20 10 DGCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000841301406 630425461 /nfs/dbraw/zinc/42/54/61/630425461.db2.gz NYKIPSDVMQPWHV-KBXCAEBGSA-N 1 1 324.428 3.226 20 10 DGCDMO C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(Cl)cc1O ZINC000841746572 630461759 /nfs/dbraw/zinc/46/17/59/630461759.db2.gz IJXNMCNSSPKSFZ-ZDUSSCGKSA-N 1 1 324.852 3.489 20 10 DGCDMO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C2 ZINC000841745733 630461876 /nfs/dbraw/zinc/46/18/76/630461876.db2.gz SMXUNQUEEVZZFQ-IINYFYTJSA-N 1 1 317.820 3.352 20 10 DGCDMO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(Cl)cc1O ZINC000841752881 630462178 /nfs/dbraw/zinc/46/21/78/630462178.db2.gz VJCRLVYMODQYKK-LLVKDONJSA-N 1 1 310.825 3.003 20 10 DGCDMO CO[C@@H](CC(C)C)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000842151533 630498807 /nfs/dbraw/zinc/49/88/07/630498807.db2.gz CAIRSNLPGXEIHU-ROUUACIJSA-N 1 1 321.461 3.434 20 10 DGCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000842612761 630553683 /nfs/dbraw/zinc/55/36/83/630553683.db2.gz NRIXUAFFMPYMCJ-OAHLLOKOSA-N 1 1 307.434 3.395 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CC2(CCCC2)O1 ZINC000842644660 630557723 /nfs/dbraw/zinc/55/77/23/630557723.db2.gz HBXXMIJJAALQPY-CQSZACIVSA-N 1 1 312.413 3.474 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)CC(F)F)c1 ZINC000842891028 630590877 /nfs/dbraw/zinc/59/08/77/630590877.db2.gz WIRZYYVPTUCHKP-UWVGGRQHSA-N 1 1 301.333 3.121 20 10 DGCDMO C[C@H]([NH2+][C@H](CCO)c1ccccc1F)c1ccc(F)cc1O ZINC000842924430 630594059 /nfs/dbraw/zinc/59/40/59/630594059.db2.gz QCCJKNVXJQUANG-MEDUHNTESA-N 1 1 307.340 3.445 20 10 DGCDMO Cc1cc([O-])c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000843043845 630607435 /nfs/dbraw/zinc/60/74/35/630607435.db2.gz LAFKMTHOKYBONV-INIZCTEOSA-N 1 1 308.853 3.318 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843044487 630607552 /nfs/dbraw/zinc/60/75/52/630607552.db2.gz DGPASMZFXSLUAS-NHYWBVRUSA-N 1 1 312.816 3.149 20 10 DGCDMO [NH3+]CCN(Cc1ccccc1)Cc1cc(Cl)cc(F)c1O ZINC000843059002 630610137 /nfs/dbraw/zinc/61/01/37/630610137.db2.gz BWRRACPVAKUFDH-UHFFFAOYSA-N 1 1 308.784 3.146 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843124629 630616310 /nfs/dbraw/zinc/61/63/10/630616310.db2.gz DQDSIGPUJYVFNU-RYUDHWBXSA-N 1 1 312.816 3.006 20 10 DGCDMO [NH3+]C[C@@H]1c2ccccc2CCN1Cc1cc(Cl)cc(F)c1O ZINC000843129619 630617322 /nfs/dbraw/zinc/61/73/22/630617322.db2.gz QMDLBTOFOTZJIO-MRXNPFEDSA-N 1 1 320.795 3.243 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000843415786 630654498 /nfs/dbraw/zinc/65/44/98/630654498.db2.gz KMBNGLKIPLXOLU-SFHVURJKSA-N 1 1 313.397 3.444 20 10 DGCDMO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000843436374 630658728 /nfs/dbraw/zinc/65/87/28/630658728.db2.gz IIGLRXJCSUAGTL-YPMHNXCESA-N 1 1 309.381 3.131 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)CC[C@@H]2CCCCO2)cc1 ZINC000844401102 630724768 /nfs/dbraw/zinc/72/47/68/630724768.db2.gz KHLXOYBLTRMNEN-SFHVURJKSA-N 1 1 306.450 3.022 20 10 DGCDMO Fc1cc(C[N@H+]2CCC23CCCC3)ccc1N1CCOCC1 ZINC000845999456 631205281 /nfs/dbraw/zinc/20/52/81/631205281.db2.gz JQQPHHSIEHEMCO-UHFFFAOYSA-N 1 1 304.409 3.181 20 10 DGCDMO C[C@H](O)[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1F ZINC000846015599 631206011 /nfs/dbraw/zinc/20/60/11/631206011.db2.gz CROKFUOURWIXEI-KPZWWZAWSA-N 1 1 320.383 3.243 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2C[C@H]2CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000846025776 631206801 /nfs/dbraw/zinc/20/68/01/631206801.db2.gz LLFJIUMPFSRONW-NWDGAFQWSA-N 1 1 308.378 3.223 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000846043044 631207944 /nfs/dbraw/zinc/20/79/44/631207944.db2.gz UTHMBAYZXLQPOV-MRXNPFEDSA-N 1 1 313.800 3.480 20 10 DGCDMO COc1cccc([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)c1O ZINC000846139553 631211564 /nfs/dbraw/zinc/21/15/64/631211564.db2.gz VHDQAZBGJXLOMN-CQSZACIVSA-N 1 1 306.450 3.172 20 10 DGCDMO COc1cccc([C@H](C)[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)c1O ZINC000846155741 631212507 /nfs/dbraw/zinc/21/25/07/631212507.db2.gz CIDGVCYMGYGHQO-WDEREUQCSA-N 1 1 304.394 3.054 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cc3n(n2)CCCC3)cc1 ZINC000848529577 631680087 /nfs/dbraw/zinc/68/00/87/631680087.db2.gz XHRGUSVWOBDDJO-UHFFFAOYSA-N 1 1 312.461 3.355 20 10 DGCDMO COCC1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000848560632 631692882 /nfs/dbraw/zinc/69/28/82/631692882.db2.gz IEEQTVJDEIWOQQ-SNVBAGLBSA-N 1 1 303.324 3.488 20 10 DGCDMO COC[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000848564232 631694968 /nfs/dbraw/zinc/69/49/68/631694968.db2.gz KDQHBDXJNSMONL-GXTWGEPZSA-N 1 1 323.433 3.281 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c1 ZINC000848566394 631695595 /nfs/dbraw/zinc/69/55/95/631695595.db2.gz WYHIIRRDDXZAQL-MRVWCRGKSA-N 1 1 321.417 3.176 20 10 DGCDMO CCc1cccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c1O ZINC000848881786 631769347 /nfs/dbraw/zinc/76/93/47/631769347.db2.gz UVUXFNKTGBJXRK-UHFFFAOYSA-N 1 1 316.367 3.025 20 10 DGCDMO CCc1cccc(C[N@H+](C)Cc2nc3ccccc3n2C)c1O ZINC000848884246 631770290 /nfs/dbraw/zinc/77/02/90/631770290.db2.gz JAXWSEJZBBDTSJ-UHFFFAOYSA-N 1 1 309.413 3.473 20 10 DGCDMO CCc1cccc(C[N@@H+](C)Cc2nc3ccccc3n2C)c1O ZINC000848884246 631770300 /nfs/dbraw/zinc/77/03/00/631770300.db2.gz JAXWSEJZBBDTSJ-UHFFFAOYSA-N 1 1 309.413 3.473 20 10 DGCDMO COc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000848925792 631790631 /nfs/dbraw/zinc/79/06/31/631790631.db2.gz KUHBILQDWMPBPS-UHFFFAOYSA-N 1 1 324.424 3.048 20 10 DGCDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000848925792 631790638 /nfs/dbraw/zinc/79/06/38/631790638.db2.gz KUHBILQDWMPBPS-UHFFFAOYSA-N 1 1 324.424 3.048 20 10 DGCDMO CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000850494622 632170914 /nfs/dbraw/zinc/17/09/14/632170914.db2.gz RDLCDGKDFTWRRA-WFASDCNBSA-N 1 1 321.417 3.035 20 10 DGCDMO C[C@@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1cc(F)cc(F)c1O ZINC000850538093 632186206 /nfs/dbraw/zinc/18/62/06/632186206.db2.gz VQNYVEBQBHKXGI-NOZJJQNGSA-N 1 1 323.314 3.464 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](OC)C2CCCC2)c1 ZINC000850563609 632195570 /nfs/dbraw/zinc/19/55/70/632195570.db2.gz ZIRCBTFFHKTVNL-YVEFUNNKSA-N 1 1 321.417 3.035 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCc2ccco2)c1 ZINC000850570238 632197275 /nfs/dbraw/zinc/19/72/75/632197275.db2.gz ROYHQCLGNQNQSU-LBPRGKRZSA-N 1 1 303.358 3.055 20 10 DGCDMO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccccc1O ZINC000109768831 632316344 /nfs/dbraw/zinc/31/63/44/632316344.db2.gz MWDNQLZYGGOEAH-UHFFFAOYSA-N 1 1 301.371 3.136 20 10 DGCDMO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccccc1O ZINC000109768831 632316348 /nfs/dbraw/zinc/31/63/48/632316348.db2.gz MWDNQLZYGGOEAH-UHFFFAOYSA-N 1 1 301.371 3.136 20 10 DGCDMO CO[C@@H](C[N@@H+](Cc1ccccc1O)C1CCCC1)[C@H]1CCOC1 ZINC000851771897 632489148 /nfs/dbraw/zinc/48/91/48/632489148.db2.gz RDGHRRDRPPCDLB-LPHOPBHVSA-N 1 1 319.445 3.188 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000851792100 632495127 /nfs/dbraw/zinc/49/51/27/632495127.db2.gz KTMVVQTVYVHIRJ-BHYGNILZSA-N 1 1 316.445 3.052 20 10 DGCDMO C[C@H](c1ccccc1)[N@@H+](CCc1cn[nH]n1)Cc1ccccc1O ZINC000851880371 632513116 /nfs/dbraw/zinc/51/31/16/632513116.db2.gz XDZAWJJEOPYVTB-OAHLLOKOSA-N 1 1 322.412 3.316 20 10 DGCDMO C[C@H](c1ccccc1)[N@H+](CCc1c[nH]nn1)Cc1ccccc1O ZINC000851880371 632513121 /nfs/dbraw/zinc/51/31/21/632513121.db2.gz XDZAWJJEOPYVTB-OAHLLOKOSA-N 1 1 322.412 3.316 20 10 DGCDMO C[C@H](c1ccccc1)[N@@H+](CCc1c[nH]nn1)Cc1ccccc1O ZINC000851880371 632513124 /nfs/dbraw/zinc/51/31/24/632513124.db2.gz XDZAWJJEOPYVTB-OAHLLOKOSA-N 1 1 322.412 3.316 20 10 DGCDMO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@H]1CNC(=O)C1 ZINC000851879879 632513718 /nfs/dbraw/zinc/51/37/18/632513718.db2.gz QDBAUNMQBUSBRV-JKSUJKDBSA-N 1 1 324.424 3.092 20 10 DGCDMO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@@H]1CNC(=O)C1 ZINC000851879877 632513852 /nfs/dbraw/zinc/51/38/52/632513852.db2.gz QDBAUNMQBUSBRV-HOTGVXAUSA-N 1 1 324.424 3.092 20 10 DGCDMO CCN(C)c1ccc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000852106466 632556152 /nfs/dbraw/zinc/55/61/52/632556152.db2.gz YVDAKHGIJJCTCM-IBGZPJMESA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(C)c1ccc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000852106466 632556153 /nfs/dbraw/zinc/55/61/53/632556153.db2.gz YVDAKHGIJJCTCM-IBGZPJMESA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000852106466 632556160 /nfs/dbraw/zinc/55/61/60/632556160.db2.gz YVDAKHGIJJCTCM-IBGZPJMESA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC000852106466 632556166 /nfs/dbraw/zinc/55/61/66/632556166.db2.gz YVDAKHGIJJCTCM-IBGZPJMESA-N 1 1 301.478 3.060 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)c1O ZINC000852463803 632605859 /nfs/dbraw/zinc/60/58/59/632605859.db2.gz VOTUIGVJLYBCQH-CALCHBBNSA-N 1 1 323.820 3.107 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184801024 660187694 /nfs/dbraw/zinc/18/76/94/660187694.db2.gz VBSIZDFXYCEKEV-IBGZPJMESA-N 1 1 310.441 3.489 20 10 DGCDMO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000184916127 660194992 /nfs/dbraw/zinc/19/49/92/660194992.db2.gz JJEBZQJZMHSZQJ-LLVKDONJSA-N 1 1 302.349 3.341 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cc2c(cc1O)CCCC2 ZINC000185404154 660221520 /nfs/dbraw/zinc/22/15/20/660221520.db2.gz IHJHDYDQWAYAPQ-CABCVRRESA-N 1 1 302.462 3.263 20 10 DGCDMO C[C@@H]([NH2+]CCCOCC1CCOCC1)c1ccc(F)cc1O ZINC000185520155 660227055 /nfs/dbraw/zinc/22/70/55/660227055.db2.gz 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/nfs/dbraw/zinc/21/36/43/1195213643.db2.gz JGSZJVUCLGQZTK-CQSZACIVSA-N 1 1 306.450 3.162 20 10 DGCDMO O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001647794933 1195254289 /nfs/dbraw/zinc/25/42/89/1195254289.db2.gz USUAYJIPOJFESX-QAPCUYQASA-N 1 1 324.424 3.179 20 10 DGCDMO Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cccc(F)c2O)n1 ZINC001651773723 1195508015 /nfs/dbraw/zinc/50/80/15/1195508015.db2.gz PEKFMCNGEUMKDX-OAHLLOKOSA-N 1 1 315.392 3.311 20 10 DGCDMO Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cccc(F)c2O)n1 ZINC001651773723 1195508020 /nfs/dbraw/zinc/50/80/20/1195508020.db2.gz PEKFMCNGEUMKDX-OAHLLOKOSA-N 1 1 315.392 3.311 20 10 DGCDMO Oc1cc(F)c(F)cc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC001651929233 1195525570 /nfs/dbraw/zinc/52/55/70/1195525570.db2.gz FNOKPCMUZKBIHF-UHFFFAOYSA-N 1 1 310.388 3.121 20 10 DGCDMO COc1ccccc1OCC[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001651974987 1195530549 /nfs/dbraw/zinc/53/05/49/1195530549.db2.gz JTFCRNCJJOZILQ-UHFFFAOYSA-N 1 1 323.339 3.190 20 10 DGCDMO COc1ccccc1OCC[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001651974987 1195530553 /nfs/dbraw/zinc/53/05/53/1195530553.db2.gz JTFCRNCJJOZILQ-UHFFFAOYSA-N 1 1 323.339 3.190 20 10 DGCDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C)C12CCC2 ZINC001652474667 1195603562 /nfs/dbraw/zinc/60/35/62/1195603562.db2.gz MTTNPCVRNYPVSD-ZWKOTPCHSA-N 1 1 302.462 3.450 20 10 DGCDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1c(O)cc(C)cc1Cl)C2 ZINC001653031242 1195681514 /nfs/dbraw/zinc/68/15/14/1195681514.db2.gz MSWQFNKLJJAVPT-SJCJKPOMSA-N 1 1 323.820 3.129 20 10 DGCDMO C[C@H](CNC/C=C/c1ccc(N(C)C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001655283038 1195899199 /nfs/dbraw/zinc/89/91/99/1195899199.db2.gz WYJJPMSUIYFKII-HEAXLZMOSA-N 1 1 315.505 3.476 20 10 DGCDMO C[C@H](CNC/C=C/c1ccc(N(C)C)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001655283038 1195899202 /nfs/dbraw/zinc/89/92/02/1195899202.db2.gz WYJJPMSUIYFKII-HEAXLZMOSA-N 1 1 315.505 3.476 20 10 DGCDMO C[C@@H](CNC/C=C\c1ccc(N(C)C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001655283040 1195899874 /nfs/dbraw/zinc/89/98/74/1195899874.db2.gz WYJJPMSUIYFKII-JJEILDCCSA-N 1 1 315.505 3.476 20 10 DGCDMO C[C@@H](CNC/C=C\c1ccc(N(C)C)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001655283040 1195899879 /nfs/dbraw/zinc/89/98/79/1195899879.db2.gz WYJJPMSUIYFKII-JJEILDCCSA-N 1 1 315.505 3.476 20 10 DGCDMO COC(=O)C(C)(C)C[N@H+](Cc1ccc(N(C)C)cc1)CC(C)C ZINC001655447529 1195919616 /nfs/dbraw/zinc/91/96/16/1195919616.db2.gz INMOFNNZCHPVEM-UHFFFAOYSA-N 1 1 320.477 3.410 20 10 DGCDMO CC[N@@H+]1CCCC[C@H]1CNC/C=C/c1ccc(N(C)C)cc1 ZINC001656461657 1196042347 /nfs/dbraw/zinc/04/23/47/1196042347.db2.gz CAUSMQDGXWQZDD-UCFODXPJSA-N 1 1 301.478 3.230 20 10 DGCDMO CC[N@H+]1CCCC[C@H]1CNC/C=C/c1ccc(N(C)C)cc1 ZINC001656461657 1196042348 /nfs/dbraw/zinc/04/23/48/1196042348.db2.gz CAUSMQDGXWQZDD-UCFODXPJSA-N 1 1 301.478 3.230 20 10 DGCDMO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001656636287 1196056461 /nfs/dbraw/zinc/05/64/61/1196056461.db2.gz QVFXCOZYLSTFOO-APWZRJJASA-N 1 1 301.478 3.107 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCOc1ccc(F)cc1F ZINC001656688157 1196062569 /nfs/dbraw/zinc/06/25/69/1196062569.db2.gz HSZUNOSOICSLTI-UHFFFAOYSA-N 1 1 315.266 3.117 20 10 DGCDMO Cn1c[nH+]c2cc(NCc3ccc(C(=O)NC4CC4)cc3)ccc21 ZINC001656764778 1196070010 /nfs/dbraw/zinc/07/00/10/1196070010.db2.gz SBODTPFHLONBHC-UHFFFAOYSA-N 1 1 320.396 3.078 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC001657190914 1196117257 /nfs/dbraw/zinc/11/72/57/1196117257.db2.gz JRFXEVYEMKWFQP-OAHLLOKOSA-N 1 1 305.418 3.101 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC001657190913 1196117271 /nfs/dbraw/zinc/11/72/71/1196117271.db2.gz JRFXEVYEMKWFQP-HNNXBMFYSA-N 1 1 305.418 3.101 20 10 DGCDMO CCc1nnc([C@H](C)[NH2+]Cc2ccc(N(CC)CC)c(F)c2)[nH]1 ZINC001657710102 1196171514 /nfs/dbraw/zinc/17/15/14/1196171514.db2.gz JAVXOUBLZUBEFY-LBPRGKRZSA-N 1 1 319.428 3.203 20 10 DGCDMO CCC[N@@H+](Cc1cc(C)cc(OC)c1O)[C@@H](CC)C(=O)OCC ZINC001657761416 1196175705 /nfs/dbraw/zinc/17/57/05/1196175705.db2.gz HHWBUHIJBOQQBA-HNNXBMFYSA-N 1 1 323.433 3.263 20 10 DGCDMO CC(C)(C)CC[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001657905050 1196192245 /nfs/dbraw/zinc/19/22/45/1196192245.db2.gz JMOZSYRLVFDVRP-LLVKDONJSA-N 1 1 303.805 3.462 20 10 DGCDMO Cc1ccc(C[N@@H+](CC(=O)OC(C)(C)C)CC2CC2)c(O)c1 ZINC001658495295 1196264473 /nfs/dbraw/zinc/26/44/73/1196264473.db2.gz MCXGVJHTHLVMRO-UHFFFAOYSA-N 1 1 305.418 3.254 20 10 DGCDMO Cc1ccc(C[N@H+](CC(=O)OC(C)(C)C)CC2CC2)c(O)c1 ZINC001658495295 1196264479 /nfs/dbraw/zinc/26/44/79/1196264479.db2.gz MCXGVJHTHLVMRO-UHFFFAOYSA-N 1 1 305.418 3.254 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCN(C)c3ncccc3C2)cc1 ZINC001658776447 1196299970 /nfs/dbraw/zinc/29/99/70/1196299970.db2.gz XCKGEWREPRCADJ-AATRIKPKSA-N 1 1 322.456 3.113 20 10 DGCDMO C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])[C@H]2C1 ZINC001658777795 1196300073 /nfs/dbraw/zinc/30/00/73/1196300073.db2.gz IZBMUWBGERSACK-DUFXMDAXSA-N 1 1 315.244 3.129 20 10 DGCDMO COC(=O)C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(C)(C)C ZINC001658977921 1196326895 /nfs/dbraw/zinc/32/68/95/1196326895.db2.gz CFKSANIYTHRJNG-ZDUSSCGKSA-N 1 1 317.788 3.252 20 10 DGCDMO Cc1nc2ccccn2c1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001659065043 1196339126 /nfs/dbraw/zinc/33/91/26/1196339126.db2.gz ZQYSGNUBAUWXES-UHFFFAOYSA-N 1 1 319.767 3.431 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC001659239273 1196362131 /nfs/dbraw/zinc/36/21/31/1196362131.db2.gz DDXCYCKMCOBLJA-CXAGYDPISA-N 1 1 320.339 3.075 20 10 DGCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C(C)C)ccc2O)C[C@H]1C1CC1 ZINC001659553521 1196395272 /nfs/dbraw/zinc/39/52/72/1196395272.db2.gz UOYQUMPYRKGRNM-DLBZAZTESA-N 1 1 317.429 3.147 20 10 DGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001659709845 1196407644 /nfs/dbraw/zinc/40/76/44/1196407644.db2.gz FTGHBNJLQCDXEA-OLZOCXBDSA-N 1 1 311.372 3.309 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001659709845 1196407648 /nfs/dbraw/zinc/40/76/48/1196407648.db2.gz FTGHBNJLQCDXEA-OLZOCXBDSA-N 1 1 311.372 3.309 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001659709845 1196407651 /nfs/dbraw/zinc/40/76/51/1196407651.db2.gz FTGHBNJLQCDXEA-OLZOCXBDSA-N 1 1 311.372 3.309 20 10 DGCDMO [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001659709848 1196407711 /nfs/dbraw/zinc/40/77/11/1196407711.db2.gz FTGHBNJLQCDXEA-STQMWFEESA-N 1 1 311.372 3.309 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001659709848 1196407714 /nfs/dbraw/zinc/40/77/14/1196407714.db2.gz FTGHBNJLQCDXEA-STQMWFEESA-N 1 1 311.372 3.309 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001659709848 1196407717 /nfs/dbraw/zinc/40/77/17/1196407717.db2.gz FTGHBNJLQCDXEA-STQMWFEESA-N 1 1 311.372 3.309 20 10 DGCDMO CO[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)C1CCCC1 ZINC001659730018 1196409161 /nfs/dbraw/zinc/40/91/61/1196409161.db2.gz QORHDTZLNUOSBI-HNNXBMFYSA-N 1 1 301.789 3.480 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001659847633 1196421063 /nfs/dbraw/zinc/42/10/63/1196421063.db2.gz KVLUWCAQOIIXBU-HNNXBMFYSA-N 1 1 323.314 3.463 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001659847633 1196421064 /nfs/dbraw/zinc/42/10/64/1196421064.db2.gz KVLUWCAQOIIXBU-HNNXBMFYSA-N 1 1 323.314 3.463 20 10 DGCDMO CN(C)c1ccccc1C[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001659916830 1196428856 /nfs/dbraw/zinc/42/88/56/1196428856.db2.gz SJACFAGMRCEIIT-UHFFFAOYSA-N 1 1 306.356 3.368 20 10 DGCDMO CN(C)c1ccccc1C[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001659916830 1196428857 /nfs/dbraw/zinc/42/88/57/1196428857.db2.gz SJACFAGMRCEIIT-UHFFFAOYSA-N 1 1 306.356 3.368 20 10 DGCDMO C[C@@H](C[N@@H+](C)Cc1ccc(Cl)cc1O)C(=O)OC(C)(C)C ZINC001659987824 1196435084 /nfs/dbraw/zinc/43/50/84/1196435084.db2.gz QPTGXUVSFYXPML-NSHDSACASA-N 1 1 313.825 3.455 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC001660090977 1196444191 /nfs/dbraw/zinc/44/41/91/1196444191.db2.gz WDXVNHVUFMLBGT-QGZVFWFLSA-N 1 1 323.383 3.452 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC001660090977 1196444194 /nfs/dbraw/zinc/44/41/94/1196444194.db2.gz WDXVNHVUFMLBGT-QGZVFWFLSA-N 1 1 323.383 3.452 20 10 DGCDMO Cn1cnc2cc(C[NH2+]Cc3cc(Cl)c(F)cc3O)ccc21 ZINC001660713069 1196515570 /nfs/dbraw/zinc/51/55/70/1196515570.db2.gz BBIAEDCTKURFEM-UHFFFAOYSA-N 1 1 319.767 3.361 20 10 DGCDMO CCOCc1cc(C[NH2+]Cc2ncc(C)s2)ccc1OC ZINC001661483012 1196610406 /nfs/dbraw/zinc/61/04/06/1196610406.db2.gz CXQTYDRUAQCXNS-UHFFFAOYSA-N 1 1 306.431 3.286 20 10 DGCDMO CC(C)CC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001661905466 1196661082 /nfs/dbraw/zinc/66/10/82/1196661082.db2.gz NCGHBBHOVGNXAV-UHFFFAOYSA-N 1 1 315.505 3.354 20 10 DGCDMO CC(C)CN1CC[N@H+](Cc2cc(C(C)C)ccc2O)[C@@H](C)C1=O ZINC001664403056 1196995052 /nfs/dbraw/zinc/99/50/52/1196995052.db2.gz ASWMNSJICCDJCI-HNNXBMFYSA-N 1 1 318.461 3.204 20 10 DGCDMO CC(C)CN1CC[N@@H+](Cc2cc(C(C)C)ccc2O)[C@@H](C)C1=O ZINC001664403056 1196995055 /nfs/dbraw/zinc/99/50/55/1196995055.db2.gz ASWMNSJICCDJCI-HNNXBMFYSA-N 1 1 318.461 3.204 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC001664551987 1197013112 /nfs/dbraw/zinc/01/31/12/1197013112.db2.gz OGAWPZOQEZQCDQ-OAHLLOKOSA-N 1 1 319.445 3.286 20 10 DGCDMO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1c(O)cccc1F)CC2 ZINC001665712385 1197179508 /nfs/dbraw/zinc/17/95/08/1197179508.db2.gz NKABFBOENUYPFN-AWEZNQCLSA-N 1 1 301.361 3.187 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]3C[C@@H]32)cc1Br ZINC001233142843 1098236833 /nfs/dbraw/zinc/23/68/33/1098236833.db2.gz ZCQRXZFSAUTZDX-SKDRFNHKSA-N 1 1 312.207 3.148 20 10 DGCDMO C[C@@]1(O)CCCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237078528 1099959890 /nfs/dbraw/zinc/95/98/90/1099959890.db2.gz UGYLDMXWPGFROL-CQSZACIVSA-N 1 1 304.217 3.436 20 10 DGCDMO C[C@@]1(O)CCCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237078528 1099959913 /nfs/dbraw/zinc/95/99/13/1099959913.db2.gz UGYLDMXWPGFROL-CQSZACIVSA-N 1 1 304.217 3.436 20 10 DGCDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ccc2c(c1)CCCO2 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CC[N@H+]1C[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@H]2C1 ZINC001138222300 1091119692 /nfs/dbraw/zinc/11/96/92/1091119692.db2.gz QVFWLKSLYOESHH-KDURUIRLSA-N 1 1 313.489 3.060 20 10 DGCDMO CC[N@@H+]1C[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@H]2C1 ZINC001138222300 1091119696 /nfs/dbraw/zinc/11/96/96/1091119696.db2.gz QVFWLKSLYOESHH-KDURUIRLSA-N 1 1 313.489 3.060 20 10 DGCDMO Cc1c(C[N@H+]2CC(C)(C)C[C@]2(C)CO)c2ccccc2n1C ZINC001138253009 1091126849 /nfs/dbraw/zinc/12/68/49/1091126849.db2.gz ZCNXIJFWOCVCHM-LJQANCHMSA-N 1 1 300.446 3.470 20 10 DGCDMO C[N@@H+](Cc1cccnc1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336002 1091145592 /nfs/dbraw/zinc/14/55/92/1091145592.db2.gz GZPAJSPNPGCTAT-UHFFFAOYSA-N 1 1 323.440 3.118 20 10 DGCDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356162 1091149802 /nfs/dbraw/zinc/14/98/02/1091149802.db2.gz BHRWRPCMHURURR-GOSISDBHSA-N 1 1 302.462 3.458 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CCC[C@]4(CCOC4)C3)ccc21 ZINC001138355114 1091150676 /nfs/dbraw/zinc/15/06/76/1091150676.db2.gz 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1091161383 /nfs/dbraw/zinc/16/13/83/1091161383.db2.gz NYUDDHGUMDGXFC-JKSUJKDBSA-N 1 1 320.477 3.134 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C(C)=O)C2)c(OC)c1 ZINC001138390484 1091166042 /nfs/dbraw/zinc/16/60/42/1091166042.db2.gz YQXLAMJWKGTMJR-INIZCTEOSA-N 1 1 318.461 3.342 20 10 DGCDMO COC(=O)[C@H]1CCCCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001205346978 1091194649 /nfs/dbraw/zinc/19/46/49/1091194649.db2.gz INGLEUBEVIADAS-JTHGQSKGSA-N 1 1 316.445 3.183 20 10 DGCDMO COC(=O)[C@H]1CCCCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001205346978 1091194653 /nfs/dbraw/zinc/19/46/53/1091194653.db2.gz INGLEUBEVIADAS-JTHGQSKGSA-N 1 1 316.445 3.183 20 10 DGCDMO COc1ccc2[nH]cc(C[N@H+]3CCc4cccc(O)c4C3)c2c1 ZINC001138509428 1091209259 /nfs/dbraw/zinc/20/92/59/1091209259.db2.gz CVCRSETZWADMGX-UHFFFAOYSA-N 1 1 308.381 3.440 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)c(C)n1-c1ccccc1 ZINC001206164219 1091517135 /nfs/dbraw/zinc/51/71/35/1091517135.db2.gz JPTVRVOZRUVHIA-RBUKOAKNSA-N 1 1 315.436 3.355 20 10 DGCDMO Cc1cc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)c(C)n1-c1ccccc1 ZINC001206164219 1091517147 /nfs/dbraw/zinc/51/71/47/1091517147.db2.gz JPTVRVOZRUVHIA-RBUKOAKNSA-N 1 1 315.436 3.355 20 10 DGCDMO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001206237600 1091545777 /nfs/dbraw/zinc/54/57/77/1091545777.db2.gz KCZZRPQGXVODNY-OAHLLOKOSA-N 1 1 310.319 3.011 20 10 DGCDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)c1O ZINC001206236813 1091545924 /nfs/dbraw/zinc/54/59/24/1091545924.db2.gz DEUVTPIGBVJSSB-HNNXBMFYSA-N 1 1 316.367 3.155 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@](F)(CN)C2)cc1 ZINC001206342709 1091584548 /nfs/dbraw/zinc/58/45/48/1091584548.db2.gz ADKFZQWJLYFIEU-SFHVURJKSA-N 1 1 307.457 3.186 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@](F)(CN)C2)cc1 ZINC001206342709 1091584556 /nfs/dbraw/zinc/58/45/56/1091584556.db2.gz ADKFZQWJLYFIEU-SFHVURJKSA-N 1 1 307.457 3.186 20 10 DGCDMO Cc1c[nH+]ccc1N1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139673839 1091639527 /nfs/dbraw/zinc/63/95/27/1091639527.db2.gz GBMJDRANECLGQS-UHFFFAOYSA-N 1 1 324.472 3.087 20 10 DGCDMO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1ccc(C)cc1O ZINC001206801448 1091745900 /nfs/dbraw/zinc/74/59/00/1091745900.db2.gz WGYAGSKUDYJIPD-UHFFFAOYSA-N 1 1 300.402 3.353 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(SC)n1 ZINC001140039464 1091746475 /nfs/dbraw/zinc/74/64/75/1091746475.db2.gz YSTYBLOAGLSVKK-UHFFFAOYSA-N 1 1 316.474 3.287 20 10 DGCDMO C[C@H]1CN(Cc2cc(F)ccc2O)CC[N@H+]1Cc1ccccc1 ZINC001140058524 1091751064 /nfs/dbraw/zinc/75/10/64/1091751064.db2.gz FKMLDASNAANUEY-HNNXBMFYSA-N 1 1 314.404 3.238 20 10 DGCDMO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCN1Cc1ccccc1 ZINC001140058524 1091751071 /nfs/dbraw/zinc/75/10/71/1091751071.db2.gz FKMLDASNAANUEY-HNNXBMFYSA-N 1 1 314.404 3.238 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCN1Cc1ccccc1 ZINC001140058524 1091751077 /nfs/dbraw/zinc/75/10/77/1091751077.db2.gz FKMLDASNAANUEY-HNNXBMFYSA-N 1 1 314.404 3.238 20 10 DGCDMO C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140058506 1091752455 /nfs/dbraw/zinc/75/24/55/1091752455.db2.gz DJQMZJFNOAMCIB-DLBZAZTESA-N 1 1 306.425 3.370 20 10 DGCDMO C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC001140058506 1091752465 /nfs/dbraw/zinc/75/24/65/1091752465.db2.gz DJQMZJFNOAMCIB-DLBZAZTESA-N 1 1 306.425 3.370 20 10 DGCDMO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cc(F)ccc1O ZINC001140058506 1091752471 /nfs/dbraw/zinc/75/24/71/1091752471.db2.gz DJQMZJFNOAMCIB-DLBZAZTESA-N 1 1 306.425 3.370 20 10 DGCDMO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cc(F)ccc1O ZINC001140058506 1091752482 /nfs/dbraw/zinc/75/24/82/1091752482.db2.gz DJQMZJFNOAMCIB-DLBZAZTESA-N 1 1 306.425 3.370 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]Cc1cccc2c1CCOC2 ZINC001206847446 1091767664 /nfs/dbraw/zinc/76/76/64/1091767664.db2.gz QCHBVMROVBAZEJ-UHFFFAOYSA-N 1 1 305.324 3.033 20 10 DGCDMO Oc1cccc2c1C[N@H+](Cc1cc(C(F)(F)F)ccn1)CC2 ZINC001140108027 1091771178 /nfs/dbraw/zinc/77/11/78/1091771178.db2.gz BNNDUEMTIJVGLB-UHFFFAOYSA-N 1 1 308.303 3.364 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1cc(C(F)(F)F)ccn1)CC2 ZINC001140108027 1091771188 /nfs/dbraw/zinc/77/11/88/1091771188.db2.gz BNNDUEMTIJVGLB-UHFFFAOYSA-N 1 1 308.303 3.364 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2CN2CCCC2)c1O ZINC001140179138 1091791736 /nfs/dbraw/zinc/79/17/36/1091791736.db2.gz HNJLVQUKLDVZOR-QGZVFWFLSA-N 1 1 302.462 3.459 20 10 DGCDMO Cc1ccc(C)c(CN2CCCC[C@@H]2C[NH+]2CCCC2)c1O ZINC001140179138 1091791742 /nfs/dbraw/zinc/79/17/42/1091791742.db2.gz HNJLVQUKLDVZOR-QGZVFWFLSA-N 1 1 302.462 3.459 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c1O ZINC001140182107 1091794078 /nfs/dbraw/zinc/79/40/78/1091794078.db2.gz JJUMAFCMJMSFAW-HNNXBMFYSA-N 1 1 305.418 3.315 20 10 DGCDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(C)ccc(C)c3O)C2)nc1 ZINC001140185226 1091794848 /nfs/dbraw/zinc/79/48/48/1091794848.db2.gz SUJAIDWAWXKUTM-INIZCTEOSA-N 1 1 312.413 3.366 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C2(CC2)C1 ZINC001140288461 1091816942 /nfs/dbraw/zinc/81/69/42/1091816942.db2.gz TZYZXZJBGNIAHE-HNNXBMFYSA-N 1 1 300.446 3.022 20 10 DGCDMO CCOc1ccc(N2CC[NH+](Cc3cnc(C)s3)CC2)cc1 ZINC001207062489 1091833773 /nfs/dbraw/zinc/83/37/73/1091833773.db2.gz CMZLUVLXMJCKSR-UHFFFAOYSA-N 1 1 317.458 3.172 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001140344248 1091835275 /nfs/dbraw/zinc/83/52/75/1091835275.db2.gz GRNBQMONMBNGDG-CQSZACIVSA-N 1 1 318.804 3.484 20 10 DGCDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3O)C2)nc1 ZINC001140464391 1091876987 /nfs/dbraw/zinc/87/69/87/1091876987.db2.gz NURXTUWOKMFSEK-HNNXBMFYSA-N 1 1 318.804 3.402 20 10 DGCDMO Cc1ccc(O)c(C[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC001140620985 1091934153 /nfs/dbraw/zinc/93/41/53/1091934153.db2.gz JXUDCWDMLTUINE-PMACEKPBSA-N 1 1 322.452 3.264 20 10 DGCDMO COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(C)ccc1O)C2 ZINC001140621589 1091934829 /nfs/dbraw/zinc/93/48/29/1091934829.db2.gz LWZKCDMTBZASDV-APWZRJJASA-N 1 1 319.445 3.108 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(O)c1 ZINC001140852858 1092028807 /nfs/dbraw/zinc/02/88/07/1092028807.db2.gz BYNYLSMUPNNKGB-URLQWDBASA-N 1 1 318.461 3.238 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c(O)c1 ZINC001140850715 1092029503 /nfs/dbraw/zinc/02/95/03/1092029503.db2.gz RQRMHLQKVAJUKW-LJQANCHMSA-N 1 1 318.461 3.241 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC(C)(C)C[C@]2(C)CO)c(O)c1 ZINC001140850824 1092029894 /nfs/dbraw/zinc/02/98/94/1092029894.db2.gz VQRPUJBLHICENL-LJQANCHMSA-N 1 1 320.477 3.221 20 10 DGCDMO CCCCOC1C[NH+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140855120 1092030471 /nfs/dbraw/zinc/03/04/71/1092030471.db2.gz OFKABHVCDGUONA-UHFFFAOYSA-N 1 1 306.450 3.239 20 10 DGCDMO CCN(CC)c1ccc(CN(C)CCC[NH+]2CCCC2)c(O)c1 ZINC001140855356 1092031079 /nfs/dbraw/zinc/03/10/79/1092031079.db2.gz WGVAGXLVMWRTFM-UHFFFAOYSA-N 1 1 319.493 3.156 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c(O)c1 ZINC001140855556 1092031632 /nfs/dbraw/zinc/03/16/32/1092031632.db2.gz FDJBMUFQOGYFGD-IBGZPJMESA-N 1 1 318.461 3.241 20 10 DGCDMO Cc1ccc(C[N@@H+](C)CC(=O)NCCC2=CCCCC2)c(O)c1 ZINC001207653425 1092059873 /nfs/dbraw/zinc/05/98/73/1092059873.db2.gz ANNREXXKFIMJRE-UHFFFAOYSA-N 1 1 316.445 3.139 20 10 DGCDMO CN(C)c1ccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c(Cl)c1 ZINC001140925683 1092064258 /nfs/dbraw/zinc/06/42/58/1092064258.db2.gz URSVPDIHFPWBLP-GFCCVEGCSA-N 1 1 314.857 3.435 20 10 DGCDMO Cc1ccc(C[N@@H+](Cc2cccnc2)C2CCOCC2)c(O)c1 ZINC001140949496 1092075778 /nfs/dbraw/zinc/07/57/78/1092075778.db2.gz BZRUGNNXSYGNOY-UHFFFAOYSA-N 1 1 312.413 3.277 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3C)C2)c(O)c1 ZINC001140954226 1092079026 /nfs/dbraw/zinc/07/90/26/1092079026.db2.gz NNXJOHPWADMSPU-QGZVFWFLSA-N 1 1 312.413 3.447 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC001207763453 1092093630 /nfs/dbraw/zinc/09/36/30/1092093630.db2.gz QBMGOVUXHMHJIJ-JTQLQIEISA-N 1 1 310.369 3.192 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC001207763453 1092093637 /nfs/dbraw/zinc/09/36/37/1092093637.db2.gz QBMGOVUXHMHJIJ-JTQLQIEISA-N 1 1 310.369 3.192 20 10 DGCDMO C[C@@]1(O)CCCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074273 1092127540 /nfs/dbraw/zinc/12/75/40/1092127540.db2.gz DOIJUAIDRCASBS-HXUWFJFHSA-N 1 1 314.473 3.122 20 10 DGCDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141077817 1092129072 /nfs/dbraw/zinc/12/90/72/1092129072.db2.gz AOXZTGQXOVCDNN-GOSISDBHSA-N 1 1 314.473 3.121 20 10 DGCDMO C[N@@H+](Cc1ccncc1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075088 1092129939 /nfs/dbraw/zinc/12/99/39/1092129939.db2.gz YHVJGBGIARMYTA-UHFFFAOYSA-N 1 1 307.441 3.412 20 10 DGCDMO c1c(C[N@H+]2CCC[C@@]3(CCO3)C2)cc2c3c1CCCN3CCC2 ZINC001141078360 1092131166 /nfs/dbraw/zinc/13/11/66/1092131166.db2.gz UHLPZAQXMLYDPV-HXUWFJFHSA-N 1 1 312.457 3.140 20 10 DGCDMO CC(=O)[C@H]1CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078363 1092131411 /nfs/dbraw/zinc/13/14/11/1092131411.db2.gz UJVMLLPWBFGMSP-IBGZPJMESA-N 1 1 312.457 3.186 20 10 DGCDMO CN1CCOc2cc(C[N@H+]3CCC[C@@H]3c3cccnc3)ccc21 ZINC001141141408 1092148674 /nfs/dbraw/zinc/14/86/74/1092148674.db2.gz YDZDZWOKCSKFQT-QGZVFWFLSA-N 1 1 309.413 3.247 20 10 DGCDMO CN1CCOc2cc(C[N@@H+]3CCCC(F)(F)[C@H](F)C3)ccc21 ZINC001141139907 1092148832 /nfs/dbraw/zinc/14/88/32/1092148832.db2.gz DLHSTEPDIGKYIF-OAHLLOKOSA-N 1 1 314.351 3.084 20 10 DGCDMO CN1CCOc2cc(C[N@H+]3CCCC(F)(F)[C@H](F)C3)ccc21 ZINC001141139907 1092148837 /nfs/dbraw/zinc/14/88/37/1092148837.db2.gz DLHSTEPDIGKYIF-OAHLLOKOSA-N 1 1 314.351 3.084 20 10 DGCDMO CN1CCOc2cc(C[N@@H+](C)CCc3ccccc3F)ccc21 ZINC001141144740 1092150660 /nfs/dbraw/zinc/15/06/60/1092150660.db2.gz JUXPVQIYDGNDIV-UHFFFAOYSA-N 1 1 314.404 3.329 20 10 DGCDMO CN1CCOc2cc(C[N@@H+]3CCC[C@@H]3c3nccs3)ccc21 ZINC001141144010 1092150684 /nfs/dbraw/zinc/15/06/84/1092150684.db2.gz SKPXJQURMZDSAF-OAHLLOKOSA-N 1 1 315.442 3.309 20 10 DGCDMO CN1CCOc2cc(C[N@H+]3CCC[C@@H]3c3nccs3)ccc21 ZINC001141144010 1092150690 /nfs/dbraw/zinc/15/06/90/1092150690.db2.gz SKPXJQURMZDSAF-OAHLLOKOSA-N 1 1 315.442 3.309 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(O)ccc1O ZINC001141162527 1092157254 /nfs/dbraw/zinc/15/72/54/1092157254.db2.gz VTFWQTXQMUMGHT-UHFFFAOYSA-N 1 1 300.402 3.186 20 10 DGCDMO C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2O)CN1C(=O)OC(C)(C)C ZINC001168871127 1092405836 /nfs/dbraw/zinc/40/58/36/1092405836.db2.gz GZGNTRLWAWAXRD-ZFWWWQNUSA-N 1 1 320.433 3.222 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001142520947 1092494195 /nfs/dbraw/zinc/49/41/95/1092494195.db2.gz RUUCSZYMQCLGSQ-OAHLLOKOSA-N 1 1 319.351 3.462 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001142520947 1092494205 /nfs/dbraw/zinc/49/42/05/1092494205.db2.gz RUUCSZYMQCLGSQ-OAHLLOKOSA-N 1 1 319.351 3.462 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001142521005 1092494706 /nfs/dbraw/zinc/49/47/06/1092494706.db2.gz UHYWIFROIRHQFJ-AWEZNQCLSA-N 1 1 323.314 3.463 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001142521005 1092494708 /nfs/dbraw/zinc/49/47/08/1092494708.db2.gz UHYWIFROIRHQFJ-AWEZNQCLSA-N 1 1 323.314 3.463 20 10 DGCDMO [O-]c1cc(F)c(F)cc1CN1CCOC[C@H]1Cc1ccccc1 ZINC001142530270 1092495422 /nfs/dbraw/zinc/49/54/22/1092495422.db2.gz BJXYEMPZOJJVKY-OAHLLOKOSA-N 1 1 319.351 3.114 20 10 DGCDMO C[N@H+](Cc1cnn(C(=O)OC(C)(C)C)c1)Cc1ccccc1O ZINC001142801105 1092554902 /nfs/dbraw/zinc/55/49/02/1092554902.db2.gz CPSYJVZEOXYUSV-UHFFFAOYSA-N 1 1 317.389 3.004 20 10 DGCDMO C[N@@H+](Cc1cnn(C(=O)OC(C)(C)C)c1)Cc1ccccc1O ZINC001142801105 1092554910 /nfs/dbraw/zinc/55/49/10/1092554910.db2.gz CPSYJVZEOXYUSV-UHFFFAOYSA-N 1 1 317.389 3.004 20 10 DGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@@]3(CCC(=O)O3)C2)c1O ZINC001143112126 1092616061 /nfs/dbraw/zinc/61/60/61/1092616061.db2.gz LPSUSTJJARWUNX-LJQANCHMSA-N 1 1 317.429 3.361 20 10 DGCDMO CCC[N@H+](CC(=O)OCC)Cc1cccc(C(C)(C)C)c1O ZINC001143111551 1092616654 /nfs/dbraw/zinc/61/66/54/1092616654.db2.gz CNPMDPJEUKTMAN-UHFFFAOYSA-N 1 1 307.434 3.465 20 10 DGCDMO CCC[N@@H+](CC(=O)OCC)Cc1cccc(C(C)(C)C)c1O ZINC001143111551 1092616659 /nfs/dbraw/zinc/61/66/59/1092616659.db2.gz CNPMDPJEUKTMAN-UHFFFAOYSA-N 1 1 307.434 3.465 20 10 DGCDMO CC(C)(C)c1cccc(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1O ZINC001143116829 1092618730 /nfs/dbraw/zinc/61/87/30/1092618730.db2.gz LRCFTFFMQZNBMB-UKRRQHHQSA-N 1 1 301.430 3.491 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)CC1COC(C)(C)OC1 ZINC001209196077 1092689101 /nfs/dbraw/zinc/68/91/01/1092689101.db2.gz FZTDCPGYDRHJQB-UHFFFAOYSA-N 1 1 318.461 3.118 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2c3ccccc3nn2C)cc1 ZINC001209538984 1092815299 /nfs/dbraw/zinc/81/52/99/1092815299.db2.gz GQCMDJJKQQAJMT-UHFFFAOYSA-N 1 1 308.429 3.271 20 10 DGCDMO COc1ccc(C[N@@H+](C)[C@H](C)Cc2ccccc2OC)c(O)c1 ZINC000179950468 1093824465 /nfs/dbraw/zinc/82/44/65/1093824465.db2.gz KTELWYBTHRWHSV-CQSZACIVSA-N 1 1 315.413 3.472 20 10 DGCDMO Nc1cc[nH+]c(-c2cc(Nc3cc(Cl)ccc3O)ccn2)c1 ZINC001216397963 1094190731 /nfs/dbraw/zinc/19/07/31/1094190731.db2.gz QXZGTTQNOAKMGF-UHFFFAOYSA-N 1 1 312.760 3.250 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])C[C@@H]2C1 ZINC001336889369 1094774850 /nfs/dbraw/zinc/77/48/50/1094774850.db2.gz SQBDVQVXOBIRCF-VHDGCEQUSA-N 1 1 308.853 3.208 20 10 DGCDMO [O-]c1c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccc(F)c1F ZINC001222166704 1095471179 /nfs/dbraw/zinc/47/11/79/1095471179.db2.gz CHMPGMJWZIXOTQ-GOSISDBHSA-N 1 1 324.415 3.416 20 10 DGCDMO Oc1c(Cl)cc(F)cc1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222397062 1095592710 /nfs/dbraw/zinc/59/27/10/1095592710.db2.gz ZMJLLKMVONFFLP-MRXNPFEDSA-N 1 1 312.816 3.293 20 10 DGCDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116719507 1095642220 /nfs/dbraw/zinc/64/22/20/1095642220.db2.gz HWYDGLSPXFCNAJ-GJYPPUQNSA-N 1 1 302.462 3.268 20 10 DGCDMO Cc1ccc(C)c(C[N@@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)c1O ZINC001222602521 1095687385 /nfs/dbraw/zinc/68/73/85/1095687385.db2.gz SEYOOAFAZARUMG-IBGZPJMESA-N 1 1 322.452 3.198 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)c1O ZINC001222602521 1095687403 /nfs/dbraw/zinc/68/74/03/1095687403.db2.gz SEYOOAFAZARUMG-IBGZPJMESA-N 1 1 322.452 3.198 20 10 DGCDMO CC[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(F)cc1O ZINC001117140077 1095720164 /nfs/dbraw/zinc/72/01/64/1095720164.db2.gz YXLVUPTVDQCHMP-XJKSGUPXSA-N 1 1 322.424 3.221 20 10 DGCDMO Cc1cccc(N2CC[NH+](Cc3c(O)cccc3F)CC2)c1C ZINC001137838997 1095758173 /nfs/dbraw/zinc/75/81/73/1095758173.db2.gz NENJFPVVBAVDKD-UHFFFAOYSA-N 1 1 314.404 3.470 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)c(C)n1-c1ccccc1 ZINC001137854003 1095766426 /nfs/dbraw/zinc/76/64/26/1095766426.db2.gz DSOFYMUBCMQTDZ-OALUTQOASA-N 1 1 316.420 3.389 20 10 DGCDMO Cc1cc(C[N@@H+]2CCc3nccn3CC2)c(C)n1-c1ccccc1 ZINC001137859099 1095769069 /nfs/dbraw/zinc/76/90/69/1095769069.db2.gz IQHQCDUPGNFQOY-UHFFFAOYSA-N 1 1 320.440 3.349 20 10 DGCDMO COc1ccc(F)c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001137997577 1095820420 /nfs/dbraw/zinc/82/04/20/1095820420.db2.gz QTYMFAOCJSUQPH-UHFFFAOYSA-N 1 1 317.360 3.194 20 10 DGCDMO COc1ccc(F)c(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001137997577 1095820442 /nfs/dbraw/zinc/82/04/42/1095820442.db2.gz QTYMFAOCJSUQPH-UHFFFAOYSA-N 1 1 317.360 3.194 20 10 DGCDMO CN1CC[N@@H+](Cc2cccc(F)c2[O-])C[C@H]1c1ccccc1 ZINC001138127833 1095899344 /nfs/dbraw/zinc/89/93/44/1095899344.db2.gz RIFQTPRCKXOLRP-KRWDZBQOSA-N 1 1 300.377 3.020 20 10 DGCDMO CN1CC[N@H+](Cc2cccc(F)c2O)C[C@H]1c1ccccc1 ZINC001138127833 1095899364 /nfs/dbraw/zinc/89/93/64/1095899364.db2.gz RIFQTPRCKXOLRP-KRWDZBQOSA-N 1 1 300.377 3.020 20 10 DGCDMO CN1CC[N@@H+](Cc2cccc(F)c2O)C[C@H]1c1ccccc1 ZINC001138127833 1095899388 /nfs/dbraw/zinc/89/93/88/1095899388.db2.gz RIFQTPRCKXOLRP-KRWDZBQOSA-N 1 1 300.377 3.020 20 10 DGCDMO CC(C)(C)OC(=O)CC1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138129643 1095901196 /nfs/dbraw/zinc/90/11/96/1095901196.db2.gz OVHZVAKFZQTJDT-UHFFFAOYSA-N 1 1 323.408 3.475 20 10 DGCDMO COc1ccc(N2CCC3(CCC[N@@H+](C)C3)CC2)c(OC)c1 ZINC001276994695 1096278990 /nfs/dbraw/zinc/27/89/90/1096278990.db2.gz QQIBLOCEIBMYIJ-UHFFFAOYSA-N 1 1 304.434 3.016 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)CCc2cccs2)cc1 ZINC001171729520 1096956788 /nfs/dbraw/zinc/95/67/88/1096956788.db2.gz JYXIGFHMXLADSW-UHFFFAOYSA-N 1 1 304.459 3.367 20 10 DGCDMO CC[C@H](CC(C)C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001172389636 1097142993 /nfs/dbraw/zinc/14/29/93/1097142993.db2.gz OTJIPNJHZIFXGF-GOSISDBHSA-N 1 1 303.494 3.353 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)[C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172808212 1097245025 /nfs/dbraw/zinc/24/50/25/1097245025.db2.gz SBVIEIHFSKLTRY-ZBFHGGJFSA-N 1 1 305.418 3.336 20 10 DGCDMO O=C(N[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1)C1CC1 ZINC001231589817 1097785630 /nfs/dbraw/zinc/78/56/30/1097785630.db2.gz RTGMNUMOFQMQEN-MRXNPFEDSA-N 1 1 324.424 3.036 20 10 DGCDMO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231587822 1097785848 /nfs/dbraw/zinc/78/58/48/1097785848.db2.gz ZOCRNZXUMHHVIP-UKRRQHHQSA-N 1 1 313.397 3.319 20 10 DGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001231590922 1097786888 /nfs/dbraw/zinc/78/68/88/1097786888.db2.gz QCTJWUOFCLBPNZ-AWEZNQCLSA-N 1 1 318.367 3.071 20 10 DGCDMO Cc1cccc(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1O ZINC001231594656 1097788638 /nfs/dbraw/zinc/78/86/38/1097788638.db2.gz MPGZPYJLLLQJGP-ICSRJNTNSA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3c(C)cc(C)cc3O)C2)o1 ZINC001231847928 1097861542 /nfs/dbraw/zinc/86/15/42/1097861542.db2.gz FXNKFOJTDWGRKW-AWEZNQCLSA-N 1 1 301.390 3.080 20 10 DGCDMO Cc1cc(C)c(C[NH+]2CC(Oc3ccccc3F)C2)c(O)c1 ZINC001231845568 1097861583 /nfs/dbraw/zinc/86/15/83/1097861583.db2.gz AUFZDXABVPZKSV-UHFFFAOYSA-N 1 1 301.361 3.411 20 10 DGCDMO Cc1cc(C)c(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001231845570 1097861722 /nfs/dbraw/zinc/86/17/22/1097861722.db2.gz AWERDOLMJICTGB-HNNXBMFYSA-N 1 1 305.418 3.315 20 10 DGCDMO Cc1cc(C)c(C[N@H+]2CCN3C(=O)c4ccccc4[C@@H]3C2)c(O)c1 ZINC001231845428 1097862447 /nfs/dbraw/zinc/86/24/47/1097862447.db2.gz ZDLXWUWQIBFCJI-SFHVURJKSA-N 1 1 322.408 3.022 20 10 DGCDMO Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2CN2CCCC2)c(O)c1 ZINC001231846025 1097862684 /nfs/dbraw/zinc/86/26/84/1097862684.db2.gz YJPKDHNKCILHPR-QGZVFWFLSA-N 1 1 302.462 3.459 20 10 DGCDMO Cc1cc(C)c(CN2CCCC[C@@H]2C[NH+]2CCCC2)c(O)c1 ZINC001231846025 1097862693 /nfs/dbraw/zinc/86/26/93/1097862693.db2.gz YJPKDHNKCILHPR-QGZVFWFLSA-N 1 1 302.462 3.459 20 10 DGCDMO Cc1cc(C)c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001231844251 1097862857 /nfs/dbraw/zinc/86/28/57/1097862857.db2.gz JVLGBECOBUJWKS-AWEZNQCLSA-N 1 1 320.433 3.108 20 10 DGCDMO COC(=O)c1cccc(C[N@@H+](C)Cc2c(C)cc(C)cc2O)c1 ZINC001231849996 1097863220 /nfs/dbraw/zinc/86/32/20/1097863220.db2.gz YOSAKXSXSVRRPL-UHFFFAOYSA-N 1 1 313.397 3.428 20 10 DGCDMO Cc1cc(C)c(C[N@H+]2CC[C@@H](Oc3ncccc3C)C2)c(O)c1 ZINC001231850136 1097864114 /nfs/dbraw/zinc/86/41/14/1097864114.db2.gz KNYFZVIEVNJEDQ-MRXNPFEDSA-N 1 1 312.413 3.366 20 10 DGCDMO CSc1ncc2c(n1)C[N@H+](Cc1c(C)cc(C)cc1O)CC2 ZINC001231849425 1097864282 /nfs/dbraw/zinc/86/42/82/1097864282.db2.gz QPNPIIHMUONORB-UHFFFAOYSA-N 1 1 315.442 3.079 20 10 DGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001231852730 1097864929 /nfs/dbraw/zinc/86/49/29/1097864929.db2.gz MEFPDOCHNISOKI-INIZCTEOSA-N 1 1 311.429 3.146 20 10 DGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001231854245 1097865788 /nfs/dbraw/zinc/86/57/88/1097865788.db2.gz COIYLJTZKPLSAQ-INIZCTEOSA-N 1 1 318.461 3.010 20 10 DGCDMO COc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccccc1O ZINC001231855414 1097866624 /nfs/dbraw/zinc/86/66/24/1097866624.db2.gz SBWJHSUQONKWME-UHFFFAOYSA-N 1 1 300.402 3.099 20 10 DGCDMO O=C1C[N@H+](Cc2ccc3ccccc3c2O)CCN1C1CCCC1 ZINC001231882190 1097879285 /nfs/dbraw/zinc/87/92/85/1097879285.db2.gz MSHLZWLJVYOLCM-UHFFFAOYSA-N 1 1 324.424 3.132 20 10 DGCDMO O=C1C[N@@H+](Cc2ccc3ccccc3c2O)CCN1C1CCCC1 ZINC001231882190 1097879291 /nfs/dbraw/zinc/87/92/91/1097879291.db2.gz MSHLZWLJVYOLCM-UHFFFAOYSA-N 1 1 324.424 3.132 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)cc1Cl ZINC001232266094 1097986199 /nfs/dbraw/zinc/98/61/99/1097986199.db2.gz ISCSGOXMSFRYGQ-BZNIZROVSA-N 1 1 311.809 3.055 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC(C)(C)C[C@]2(C)CO)cc1Cl ZINC001232264003 1097986708 /nfs/dbraw/zinc/98/67/08/1097986708.db2.gz BYQFRCKYGLVDLA-MRXNPFEDSA-N 1 1 313.825 3.037 20 10 DGCDMO COC(=O)c1c(C[N@@H+](C)CC2CCC2)c2ccccc2n1C ZINC001232408181 1098030092 /nfs/dbraw/zinc/03/00/92/1098030092.db2.gz XSHAIIRTJGLNMV-UHFFFAOYSA-N 1 1 300.402 3.197 20 10 DGCDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232834075 1098148255 /nfs/dbraw/zinc/14/82/55/1098148255.db2.gz GBOWGTMLYVECEQ-UHFFFAOYSA-N 1 1 312.413 3.025 20 10 DGCDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1cc(O)c(O)c(O)c1 ZINC001233013742 1098204157 /nfs/dbraw/zinc/20/41/57/1098204157.db2.gz SXIIEMLINPPXNU-UHFFFAOYSA-N 1 1 307.777 3.131 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(N(C)C)nc1F ZINC001233118903 1098229444 /nfs/dbraw/zinc/22/94/44/1098229444.db2.gz UOIYUOVUATUYBJ-UHFFFAOYSA-N 1 1 303.381 3.014 20 10 DGCDMO CCC[N@@H+](CC)Cc1cc(Br)c(OC)cc1O ZINC001233135206 1098235273 /nfs/dbraw/zinc/23/52/73/1098235273.db2.gz OOMHZKPVYYYGPO-UHFFFAOYSA-N 1 1 302.212 3.395 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)C(C)(C)C)cc1Br ZINC001233139875 1098236490 /nfs/dbraw/zinc/23/64/90/1098236490.db2.gz SHUBCWRTIUZLDX-UHFFFAOYSA-N 1 1 302.212 3.394 20 10 DGCDMO CCOC(=O)c1c(C[N@@H+](CC)C2CC2)c2ccccc2n1C ZINC001233270322 1098270079 /nfs/dbraw/zinc/27/00/79/1098270079.db2.gz JGCIGMPBNDVIGL-UHFFFAOYSA-N 1 1 300.402 3.339 20 10 DGCDMO CCOC(=O)c1c(C[N@H+]2CC[C@H](C)C2)c2ccccc2n1C ZINC001233270519 1098270098 /nfs/dbraw/zinc/27/00/98/1098270098.db2.gz QGZNDTNXLDHERW-ZDUSSCGKSA-N 1 1 300.402 3.197 20 10 DGCDMO CCOC(=O)c1c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c2ccccc2n1C ZINC001233272962 1098270197 /nfs/dbraw/zinc/27/01/97/1098270197.db2.gz IKLJRJQFZVCMLV-DYVFJYSZSA-N 1 1 312.413 3.339 20 10 DGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC001233286124 1098274363 /nfs/dbraw/zinc/27/43/63/1098274363.db2.gz GOEAYACLMNECTD-MRXNPFEDSA-N 1 1 314.433 3.118 20 10 DGCDMO CC[N@@H+](CCCC(=O)OC)Cc1cc(C(C)(C)C)ccc1O ZINC001233284254 1098274642 /nfs/dbraw/zinc/27/46/42/1098274642.db2.gz NSXSPIODLKTSPY-UHFFFAOYSA-N 1 1 307.434 3.465 20 10 DGCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CC12CC2 ZINC001233287457 1098278249 /nfs/dbraw/zinc/27/82/49/1098278249.db2.gz QJLKYLJBAWUGJI-HNNXBMFYSA-N 1 1 317.429 3.075 20 10 DGCDMO COc1ccc2c(c1)CCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233331764 1098290149 /nfs/dbraw/zinc/29/01/49/1098290149.db2.gz JYGBLYRTWALHIK-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001233334897 1098291452 /nfs/dbraw/zinc/29/14/52/1098291452.db2.gz YOIMFNGVVTYKOA-CYBMUJFWSA-N 1 1 320.339 3.109 20 10 DGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001233334897 1098291456 /nfs/dbraw/zinc/29/14/56/1098291456.db2.gz YOIMFNGVVTYKOA-CYBMUJFWSA-N 1 1 320.339 3.109 20 10 DGCDMO Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(O)ccc(F)c3F)C2)nc1 ZINC001233336477 1098294423 /nfs/dbraw/zinc/29/44/23/1098294423.db2.gz NGCLPKDEIVARRF-GFCCVEGCSA-N 1 1 320.339 3.027 20 10 DGCDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(O)ccc(F)c3F)C2)nc1 ZINC001233336477 1098294429 /nfs/dbraw/zinc/29/44/29/1098294429.db2.gz NGCLPKDEIVARRF-GFCCVEGCSA-N 1 1 320.339 3.027 20 10 DGCDMO O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336463 1098294723 /nfs/dbraw/zinc/29/47/23/1098294723.db2.gz MIQOLVQMXDHABI-ZDUSSCGKSA-N 1 1 317.335 3.375 20 10 DGCDMO O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336463 1098294726 /nfs/dbraw/zinc/29/47/26/1098294726.db2.gz MIQOLVQMXDHABI-ZDUSSCGKSA-N 1 1 317.335 3.375 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CCC[C@H]1O ZINC001233415641 1098322225 /nfs/dbraw/zinc/32/22/25/1098322225.db2.gz DFYIHGYFCYTHGJ-ZWNOBZJWSA-N 1 1 303.324 3.004 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CCC[C@H]1O 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DGCDMO C[C@]1(CO)CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233415689 1098323325 /nfs/dbraw/zinc/32/33/25/1098323325.db2.gz FTSNPVBJLYFEAT-HNNXBMFYSA-N 1 1 317.351 3.396 20 10 DGCDMO C[C@]1(CO)CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233415689 1098323328 /nfs/dbraw/zinc/32/33/28/1098323328.db2.gz FTSNPVBJLYFEAT-HNNXBMFYSA-N 1 1 317.351 3.396 20 10 DGCDMO CO[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2O)[C@H](C)C1 ZINC001233419744 1098324941 /nfs/dbraw/zinc/32/49/41/1098324941.db2.gz LACBCMLDTPDDON-PWSUYJOCSA-N 1 1 303.324 3.410 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)[C@H](C)C1 ZINC001233419744 1098324947 /nfs/dbraw/zinc/32/49/47/1098324947.db2.gz LACBCMLDTPDDON-PWSUYJOCSA-N 1 1 303.324 3.410 20 10 DGCDMO Oc1c(C[NH+]2CCC3(CCO3)CC2)cccc1C(F)(F)F ZINC001233418671 1098326129 /nfs/dbraw/zinc/32/61/29/1098326129.db2.gz QNQYYSOZDNMXCP-UHFFFAOYSA-N 1 1 301.308 3.166 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCC[C@]1(C)O ZINC001233452258 1098337352 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CMHQULAZJSIISZ-GOSISDBHSA-N 1 1 302.462 3.358 20 10 DGCDMO COc1ccc(C[NH2+][C@@H]2CCN(CC3CCCC3)C2)cc1C ZINC001308292017 1111412212 /nfs/dbraw/zinc/41/22/12/1111412212.db2.gz CMHQULAZJSIISZ-GOSISDBHSA-N 1 1 302.462 3.358 20 10 DGCDMO CC(C)(CNCc1ccc2c(c1)CCCO2)C[NH+]1CCCC1 ZINC001308389491 1111424213 /nfs/dbraw/zinc/42/42/13/1111424213.db2.gz GZRIMTKKDZSVKQ-UHFFFAOYSA-N 1 1 302.462 3.223 20 10 DGCDMO C[C@H]1SCC[N@@H+](Cc2c(O)cccc2Br)[C@H]1C ZINC001308620682 1111452043 /nfs/dbraw/zinc/45/20/43/1111452043.db2.gz VANLVSXQQQWSCS-VHSXEESVSA-N 1 1 316.264 3.481 20 10 DGCDMO COc1ccc(C[C@H]2CC[N@H+]2Cc2ccc(F)c(F)c2[O-])cc1 ZINC001308603439 1111450035 /nfs/dbraw/zinc/45/00/35/1111450035.db2.gz KWHBFIBHUYMQMR-CQSZACIVSA-N 1 1 319.351 3.496 20 10 DGCDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1)C(N)=O ZINC001308773977 1111473491 /nfs/dbraw/zinc/47/34/91/1111473491.db2.gz QGDDFKDUYBYDRK-GFCCVEGCSA-N 1 1 324.852 3.159 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCCOC2)c1O ZINC000107064803 432026987 /nfs/dbraw/zinc/02/69/87/432026987.db2.gz URTTYHHUVAMPAG-LBPRGKRZSA-N 1 1 311.809 3.107 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCCOC2)c1O ZINC000107064803 432026988 /nfs/dbraw/zinc/02/69/88/432026988.db2.gz URTTYHHUVAMPAG-LBPRGKRZSA-N 1 1 311.809 3.107 20 10 DGCDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccccc1O ZINC000179585147 432064119 /nfs/dbraw/zinc/06/41/19/432064119.db2.gz PISXLGGYPIOIFG-ASSNKEHSSA-N 1 1 303.427 3.323 20 10 DGCDMO COCCOc1ccccc1C[N@@H+](C)Cc1ccccc1O ZINC000091974555 193134745 /nfs/dbraw/zinc/13/47/45/193134745.db2.gz KVMDVUMQEXAUOE-UHFFFAOYSA-N 1 1 301.386 3.049 20 10 DGCDMO CCOCc1cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)ccc1OC ZINC000268878669 432146854 /nfs/dbraw/zinc/14/68/54/432146854.db2.gz XEGSVAISUDZUFL-MRXNPFEDSA-N 1 1 315.417 3.122 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273343748 130108983 /nfs/dbraw/zinc/10/89/83/130108983.db2.gz AFIGOOHEDGDIKT-GHMZBOCLSA-N 1 1 304.394 3.054 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Cl)nc2)c1 ZINC000273435603 130120286 /nfs/dbraw/zinc/12/02/86/130120286.db2.gz WVMQXAIFLNPQFK-JTQLQIEISA-N 1 1 320.776 3.078 20 10 DGCDMO COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)c(OC)c1 ZINC000273441883 130121553 /nfs/dbraw/zinc/12/15/53/130121553.db2.gz YVKZCOOFOYYZIO-LLVKDONJSA-N 1 1 305.349 3.399 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc(OC)c2)c1 ZINC000273441353 130121871 /nfs/dbraw/zinc/12/18/71/130121871.db2.gz YPHYATCKQOEUMV-LBPRGKRZSA-N 1 1 315.369 3.038 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000273610409 130144382 /nfs/dbraw/zinc/14/43/82/130144382.db2.gz VQWDXPTZMNEXCJ-BDJLRTHQSA-N 1 1 309.431 3.115 20 10 DGCDMO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2c(F)cncc2F)c1O ZINC000285899233 131208766 /nfs/dbraw/zinc/20/87/66/131208766.db2.gz ZRCNSKVGIFCLGU-QMMMGPOBSA-N 1 1 324.302 3.258 20 10 DGCDMO CC[C@H]([NH2+]CCCOC1CCOCC1)c1ccc(F)cc1O ZINC000286091887 131219580 /nfs/dbraw/zinc/21/95/80/131219580.db2.gz MCDQHIDHZCMUSP-INIZCTEOSA-N 1 1 311.397 3.158 20 10 DGCDMO CC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(F)cc1O ZINC000286195714 131224046 /nfs/dbraw/zinc/22/40/46/131224046.db2.gz RAUHJRUXKGZQTN-NVXWUHKLSA-N 1 1 303.377 3.176 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ccc(OC)c(O)c1)c1ccc(F)cc1O ZINC000286341810 131231571 /nfs/dbraw/zinc/23/15/71/131231571.db2.gz YHLGYIXMZXOMFR-CQSZACIVSA-N 1 1 305.349 3.486 20 10 DGCDMO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2O)[C@]12CCCO2 ZINC000286352181 131232619 /nfs/dbraw/zinc/23/26/19/131232619.db2.gz ZFZWKTAPKCEASA-DZJNRPSUSA-N 1 1 323.408 3.299 20 10 DGCDMO Cc1cccc(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)c1O ZINC000289266564 131370563 /nfs/dbraw/zinc/37/05/63/131370563.db2.gz FZOLNAFKNMFBKN-UHFFFAOYSA-N 1 1 323.396 3.425 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)c1 ZINC000143384023 400634423 /nfs/dbraw/zinc/63/44/23/400634423.db2.gz IQJPWGBINYWOEX-UHFFFAOYSA-N 1 1 311.429 3.346 20 10 DGCDMO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185670744 286443194 /nfs/dbraw/zinc/44/31/94/286443194.db2.gz ICXQCLCCOJIFPD-TZMCWYRMSA-N 1 1 314.857 3.053 20 10 DGCDMO C[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccccc1O ZINC000109770131 431179578 /nfs/dbraw/zinc/17/95/78/431179578.db2.gz XHNCOTVHSFCCDD-WBVHZDCISA-N 1 1 316.445 3.005 20 10 DGCDMO COc1ccc(N2CC[NH+]([C@@H](C)c3ccccn3)CC2)cc1F ZINC000122097329 431812840 /nfs/dbraw/zinc/81/28/40/431812840.db2.gz COGABNPFCYOCKC-AWEZNQCLSA-N 1 1 315.392 3.113 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000093820009 431916879 /nfs/dbraw/zinc/91/68/79/431916879.db2.gz SYSOWDZEWNFOIG-LJQANCHMSA-N 1 1 300.446 3.289 20 10 DGCDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093845537 431918991 /nfs/dbraw/zinc/91/89/91/431918991.db2.gz MRGMPDORPBHZSV-OAHLLOKOSA-N 1 1 314.385 3.187 20 10 DGCDMO CC[N@H+](Cc1ccncc1)Cc1cc(F)cc(C(C)=O)c1O ZINC000271051862 432322388 /nfs/dbraw/zinc/32/23/88/432322388.db2.gz XQSVYCNCGGNWSS-UHFFFAOYSA-N 1 1 302.349 3.151 20 10 DGCDMO CC[N@@H+](Cc1ccncc1)Cc1cc(F)cc(C(C)=O)c1O ZINC000271051862 432322395 /nfs/dbraw/zinc/32/23/95/432322395.db2.gz XQSVYCNCGGNWSS-UHFFFAOYSA-N 1 1 302.349 3.151 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(CO)o2)C2CC2)cc1 ZINC000271052634 432322594 /nfs/dbraw/zinc/32/25/94/432322594.db2.gz QXVUMTAIVLRWMR-UHFFFAOYSA-N 1 1 300.402 3.003 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1n1ccnc1 ZINC000248892526 432326840 /nfs/dbraw/zinc/32/68/40/432326840.db2.gz SJPKRNAHUGEQES-BXUZGUMPSA-N 1 1 323.799 3.464 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1n1ccnc1 ZINC000248892526 432326844 /nfs/dbraw/zinc/32/68/44/432326844.db2.gz SJPKRNAHUGEQES-BXUZGUMPSA-N 1 1 323.799 3.464 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000271990420 432433646 /nfs/dbraw/zinc/43/36/46/432433646.db2.gz RQPACMKTEZLDSJ-HNNXBMFYSA-N 1 1 312.417 3.076 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1O ZINC000271990420 432433651 /nfs/dbraw/zinc/43/36/51/432433651.db2.gz RQPACMKTEZLDSJ-HNNXBMFYSA-N 1 1 312.417 3.076 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1O ZINC000271990420 432433657 /nfs/dbraw/zinc/43/36/57/432433657.db2.gz RQPACMKTEZLDSJ-HNNXBMFYSA-N 1 1 312.417 3.076 20 10 DGCDMO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc(Cl)ccc1O ZINC000184877586 432441587 /nfs/dbraw/zinc/44/15/87/432441587.db2.gz XZVZJPXSDJLOFQ-NSHDSACASA-N 1 1 320.824 3.214 20 10 DGCDMO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000271545072 432421248 /nfs/dbraw/zinc/42/12/48/432421248.db2.gz ZAFUPCLDCVDECW-YVEFUNNKSA-N 1 1 320.383 3.415 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1OC ZINC000271805045 432424290 /nfs/dbraw/zinc/42/42/90/432424290.db2.gz MCSBYNLZEJUWHD-CQSZACIVSA-N 1 1 302.374 3.075 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)cc1O ZINC000186136294 432562487 /nfs/dbraw/zinc/56/24/87/432562487.db2.gz WUJKBQBVWXWIRB-DETPVDSQSA-N 1 1 311.422 3.237 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272503632 432514671 /nfs/dbraw/zinc/51/46/71/432514671.db2.gz HLSBUNWDXMXIRD-OAHLLOKOSA-N 1 1 313.397 3.302 20 10 DGCDMO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000185825997 432536572 /nfs/dbraw/zinc/53/65/72/432536572.db2.gz UEUOLYVCIRWIAQ-SJKOYZFVSA-N 1 1 319.376 3.314 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1O ZINC000155189391 432541203 /nfs/dbraw/zinc/54/12/03/432541203.db2.gz HHFZAXJDVNCKPJ-UHFFFAOYSA-N 1 1 300.402 3.099 20 10 DGCDMO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cc(F)ccc1O ZINC000273465860 432602242 /nfs/dbraw/zinc/60/22/42/432602242.db2.gz IUJOVISOBYFWLL-XPTSAGLGSA-N 1 1 311.303 3.194 20 10 DGCDMO C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[S@@]1=O ZINC000277779332 432875717 /nfs/dbraw/zinc/87/57/17/432875717.db2.gz WOEOSHZJRSNSEW-AOMKIAJQSA-N 1 1 320.502 3.020 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[S@@]1=O ZINC000277779332 432875718 /nfs/dbraw/zinc/87/57/18/432875718.db2.gz WOEOSHZJRSNSEW-AOMKIAJQSA-N 1 1 320.502 3.020 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1C ZINC000278308843 432890854 /nfs/dbraw/zinc/89/08/54/432890854.db2.gz DZCURHBOQYNGRC-DOMZBBRYSA-N 1 1 317.351 3.144 20 10 DGCDMO COc1c(O)c(C[NH2+][C@H](C)CCc2ccco2)ccc1[N+](=O)[O-] ZINC000278912452 432917010 /nfs/dbraw/zinc/91/70/10/432917010.db2.gz SQSBQJTYDXKLNS-LLVKDONJSA-N 1 1 320.345 3.013 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1CC(F)(F)C1 ZINC000296542206 432920171 /nfs/dbraw/zinc/92/01/71/432920171.db2.gz NZXCIJJMXSWLDE-UHFFFAOYSA-N 1 1 310.388 3.000 20 10 DGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ncnn2C(C)(C)C)cc1 ZINC000281939557 433438590 /nfs/dbraw/zinc/43/85/90/433438590.db2.gz BKCLCAXVHYKHDA-CQSZACIVSA-N 1 1 315.465 3.340 20 10 DGCDMO CC[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(F)cc1O ZINC000375800454 433572051 /nfs/dbraw/zinc/57/20/51/433572051.db2.gz AQWCZNDXIJJFSY-OAHLLOKOSA-N 1 1 303.381 3.305 20 10 DGCDMO CC[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000282490287 433616196 /nfs/dbraw/zinc/61/61/96/433616196.db2.gz HRYLVTZCTHIYJK-INIZCTEOSA-N 1 1 315.465 3.340 20 10 DGCDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000362333880 433652504 /nfs/dbraw/zinc/65/25/04/433652504.db2.gz FFBDZULLTLXYRG-HNNXBMFYSA-N 1 1 305.809 3.425 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)cc1F ZINC000362385651 433676776 /nfs/dbraw/zinc/67/67/76/433676776.db2.gz DKJBCXZGWMKVQT-MRXNPFEDSA-N 1 1 316.424 3.135 20 10 DGCDMO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC000293439021 433738878 /nfs/dbraw/zinc/73/88/78/433738878.db2.gz JTXGDRQKULQNOC-INIZCTEOSA-N 1 1 314.433 3.132 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000293537352 433776012 /nfs/dbraw/zinc/77/60/12/433776012.db2.gz CKMQGQBHOQNYJT-SFHVURJKSA-N 1 1 300.446 3.144 20 10 DGCDMO C[C@]1(CCCO)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000293958921 433941003 /nfs/dbraw/zinc/94/10/03/433941003.db2.gz PRRHVMRGKBOQIT-OAHLLOKOSA-N 1 1 301.789 3.312 20 10 DGCDMO C[C@]1(CCCO)CCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000293958921 433941011 /nfs/dbraw/zinc/94/10/11/433941011.db2.gz PRRHVMRGKBOQIT-OAHLLOKOSA-N 1 1 301.789 3.312 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(F)cc1O ZINC000285621299 434016208 /nfs/dbraw/zinc/01/62/08/434016208.db2.gz KUEZEOCINIEOPP-OAHLLOKOSA-N 1 1 303.381 3.233 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000378344318 434147960 /nfs/dbraw/zinc/14/79/60/434147960.db2.gz ZPLBVHKCNHQCNV-SFHVURJKSA-N 1 1 313.397 3.364 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000378344318 434147971 /nfs/dbraw/zinc/14/79/71/434147971.db2.gz ZPLBVHKCNHQCNV-SFHVURJKSA-N 1 1 313.397 3.364 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000294942118 434155861 /nfs/dbraw/zinc/15/58/61/434155861.db2.gz CJHJSZJPAHZRJR-MRXNPFEDSA-N 1 1 321.804 3.220 20 10 DGCDMO C[N@@H+](Cc1cc(F)ccc1O)[C@H](CO)c1ccc(Cl)cc1 ZINC000294978005 434157513 /nfs/dbraw/zinc/15/75/13/434157513.db2.gz GIOJXDCKVQFUDE-OAHLLOKOSA-N 1 1 309.768 3.350 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)c1O ZINC000295014674 434160411 /nfs/dbraw/zinc/16/04/11/434160411.db2.gz MKTNEGNFBQEAIW-AWEZNQCLSA-N 1 1 313.825 3.301 20 10 DGCDMO CS[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000295036205 434164620 /nfs/dbraw/zinc/16/46/20/434164620.db2.gz MCJJCDWEZIRYBJ-NSHDSACASA-N 1 1 302.237 3.092 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000365936435 434316423 /nfs/dbraw/zinc/31/64/23/434316423.db2.gz LPOZHZWPSSAWPP-PKOBYXMFSA-N 1 1 300.446 3.288 20 10 DGCDMO OC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000368013519 434563338 /nfs/dbraw/zinc/56/33/38/434563338.db2.gz BJDXSQQHAAUPID-LJQANCHMSA-N 1 1 322.452 3.064 20 10 DGCDMO COc1cccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c1O ZINC000092436999 295296905 /nfs/dbraw/zinc/29/69/05/295296905.db2.gz WXOBNPJGPHWOCB-INIZCTEOSA-N 1 1 317.385 3.175 20 10 DGCDMO CC[C@@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1O ZINC000527997620 435018536 /nfs/dbraw/zinc/01/85/36/435018536.db2.gz 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CCOCOc1ccc(C[NH2+]Cc2c(O)cccc2F)cc1 ZINC000896638625 618939853 /nfs/dbraw/zinc/93/98/53/618939853.db2.gz WRMKCTFRXMOPHW-UHFFFAOYSA-N 1 1 305.349 3.194 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCn3nc(C4CC4)cc3C2)cc1 ZINC000896938036 618989203 /nfs/dbraw/zinc/98/92/03/618989203.db2.gz GXNCUPSKHRTIHA-ARJAWSKDSA-N 1 1 322.456 3.356 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCn3nc(C4CC4)cc3C2)cc1 ZINC000896938036 618989206 /nfs/dbraw/zinc/98/92/06/618989206.db2.gz GXNCUPSKHRTIHA-ARJAWSKDSA-N 1 1 322.456 3.356 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000897081075 619012400 /nfs/dbraw/zinc/01/24/00/619012400.db2.gz JHTAVQXNUCXNCD-MEDUHNTESA-N 1 1 313.800 3.480 20 10 DGCDMO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1[N+](=O)[O-] ZINC000897459597 619130333 /nfs/dbraw/zinc/13/03/33/619130333.db2.gz MRBVCNFCQRTUEK-JTQLQIEISA-N 1 1 322.311 3.472 20 10 DGCDMO C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(Cl)cc1O ZINC000841751915 619149817 /nfs/dbraw/zinc/14/98/17/619149817.db2.gz OLVBGVNBQNBDBM-GFCCVEGCSA-N 1 1 305.805 3.431 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(Cl)cc1O ZINC000841758435 619163810 /nfs/dbraw/zinc/16/38/10/619163810.db2.gz MBQQTQOOSGNIBJ-TZMCWYRMSA-N 1 1 305.805 3.472 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c1O ZINC000898068906 619211836 /nfs/dbraw/zinc/21/18/36/619211836.db2.gz ROAPRILUZFILBN-CYBMUJFWSA-N 1 1 318.442 3.230 20 10 DGCDMO Cc1coc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000898448190 619275779 /nfs/dbraw/zinc/27/57/79/619275779.db2.gz QOMUGQLWORIHIF-GOSISDBHSA-N 1 1 301.434 3.047 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000898516413 619283675 /nfs/dbraw/zinc/28/36/75/619283675.db2.gz RPCUQWVTDLNKOH-HUUCEWRRSA-N 1 1 305.418 3.039 20 10 DGCDMO C[C@@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1ccc(F)cc1O ZINC000903307756 619756776 /nfs/dbraw/zinc/75/67/76/619756776.db2.gz FANQGEYSOALKET-DIFFPNOSSA-N 1 1 307.340 3.229 20 10 DGCDMO C[C@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1c(O)cccc1F ZINC000903310563 619757445 /nfs/dbraw/zinc/75/74/45/619757445.db2.gz ZJHORLBYZAUXGK-GTNSWQLSSA-N 1 1 307.340 3.229 20 10 DGCDMO C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1cccc(C(F)(F)F)c1O ZINC000903408851 619772128 /nfs/dbraw/zinc/77/21/28/619772128.db2.gz URFYHRVUKCIGKJ-NOZJJQNGSA-N 1 1 303.324 3.223 20 10 DGCDMO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccco1 ZINC000903449178 619778487 /nfs/dbraw/zinc/77/84/87/619778487.db2.gz WBJOCSGSIIRFKC-YOEHRIQHSA-N 1 1 301.434 3.299 20 10 DGCDMO C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cncs1 ZINC000903448419 619778555 /nfs/dbraw/zinc/77/85/55/619778555.db2.gz PBCDBRIQPWCAFZ-CJNGLKHVSA-N 1 1 318.490 3.163 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1C[NH3+] ZINC000904412066 619920454 /nfs/dbraw/zinc/92/04/54/619920454.db2.gz PDSOAQPCJOPXGZ-UWVGGRQHSA-N 1 1 303.233 3.116 20 10 DGCDMO COc1cc(Cl)cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841086225 620216072 /nfs/dbraw/zinc/21/60/72/620216072.db2.gz GCUMAVLJSYCPOA-WFASDCNBSA-N 1 1 324.852 3.018 20 10 DGCDMO COCCC[N@@H+](CCOC)Cc1cc(C(C)C)c(C)cc1O ZINC000921054781 620835181 /nfs/dbraw/zinc/83/51/81/620835181.db2.gz JVYWZQJETSBGOE-UHFFFAOYSA-N 1 1 309.450 3.309 20 10 DGCDMO CC(C)OCC[C@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000788069341 620888601 /nfs/dbraw/zinc/88/86/01/620888601.db2.gz ZZVHTJZAZIBCME-IBGZPJMESA-N 1 1 322.493 3.139 20 10 DGCDMO c1cc2c(cc1C[NH2+]Cc1nc3c(s1)CCC3)CCCO2 ZINC000922473871 621043024 /nfs/dbraw/zinc/04/30/24/621043024.db2.gz ZNJZMKYJGBOQAY-UHFFFAOYSA-N 1 1 300.427 3.247 20 10 DGCDMO C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cc(F)cc(F)c1O ZINC000756477296 621126109 /nfs/dbraw/zinc/12/61/09/621126109.db2.gz XDSFEVWLQLDOCG-VFZGTOFNSA-N 1 1 311.303 3.194 20 10 DGCDMO COCC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccco1 ZINC000858157365 621159660 /nfs/dbraw/zinc/15/96/60/621159660.db2.gz FGASIMJHARXTAF-OAHLLOKOSA-N 1 1 324.371 3.491 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000858179551 621162057 /nfs/dbraw/zinc/16/20/57/621162057.db2.gz NWTPWPKHXGRDBL-FUHWJXTLSA-N 1 1 317.521 3.454 20 10 DGCDMO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788591882 621201639 /nfs/dbraw/zinc/20/16/39/621201639.db2.gz JHRBZVMKKYTZGJ-IINYFYTJSA-N 1 1 305.340 3.469 20 10 DGCDMO CC[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(F)cc1O ZINC000858541095 621203335 /nfs/dbraw/zinc/20/33/35/621203335.db2.gz RWOFXKJWFVQVFF-HNNXBMFYSA-N 1 1 322.424 3.221 20 10 DGCDMO CCCC[N@@H+](CCOC1CCOCC1)Cc1ccccc1O ZINC000859296106 621268079 /nfs/dbraw/zinc/26/80/79/621268079.db2.gz BCJLNTYOWSBPAO-UHFFFAOYSA-N 1 1 307.434 3.190 20 10 DGCDMO Cc1cc(C[N@H+](Cc2cnn(C)c2)CC(C)C)ccc1N(C)C ZINC000839131588 621339161 /nfs/dbraw/zinc/33/91/61/621339161.db2.gz BPLPUVLVGCIECQ-UHFFFAOYSA-N 1 1 314.477 3.453 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1 ZINC000839169777 621342008 /nfs/dbraw/zinc/34/20/08/621342008.db2.gz IWGMTNITRPKRJO-UHFFFAOYSA-N 1 1 315.465 3.238 20 10 DGCDMO CO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)C12CCC2 ZINC000839189659 621346504 /nfs/dbraw/zinc/34/65/04/621346504.db2.gz BHAKAHVSWZGGGG-LSDHHAIUSA-N 1 1 323.820 3.295 20 10 DGCDMO CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCC1 ZINC000839193406 621347419 /nfs/dbraw/zinc/34/74/19/621347419.db2.gz YFJFBAUOXWGBGM-CYBMUJFWSA-N 1 1 308.378 3.367 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000839192312 621347835 /nfs/dbraw/zinc/34/78/35/621347835.db2.gz NEQHQWQHPQDITE-PKOBYXMFSA-N 1 1 319.445 3.164 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCc1cncs1)C[C@H]1CCCO1 ZINC000839517337 621381112 /nfs/dbraw/zinc/38/11/12/621381112.db2.gz SIHWCBNWYLVYHF-OAHLLOKOSA-N 1 1 318.442 3.072 20 10 DGCDMO CCOc1ccc(C[NH2+][C@H](C)c2nnc([C@H](C)CC)[nH]2)c(O)c1 ZINC000752923786 621416139 /nfs/dbraw/zinc/41/61/39/621416139.db2.gz GSQOIAUURAILSG-VXGBXAGGSA-N 1 1 318.421 3.273 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](C(C)(C)C)C3)cc2)CC1 ZINC000753592658 621452318 /nfs/dbraw/zinc/45/23/18/621452318.db2.gz ZMHFOYPUUBPPTC-SFHVURJKSA-N 1 1 315.505 3.306 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@H](C(C)(C)C)C3)cc2)CC1 ZINC000753592658 621452320 /nfs/dbraw/zinc/45/23/20/621452320.db2.gz ZMHFOYPUUBPPTC-SFHVURJKSA-N 1 1 315.505 3.306 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CN1C(=O)CCC1(C)C ZINC000808142099 621464824 /nfs/dbraw/zinc/46/48/24/621464824.db2.gz KPJOUPNPZONPTR-UHFFFAOYSA-N 1 1 317.477 3.322 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)[C@H]2CCCOC2)c1O ZINC000754566980 621517130 /nfs/dbraw/zinc/51/71/30/621517130.db2.gz NCWLZBDHPMJWMW-PWSUYJOCSA-N 1 1 311.809 3.153 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)c1O ZINC000754728019 621528560 /nfs/dbraw/zinc/52/85/60/621528560.db2.gz VDFQYPDMPJQDOJ-CQSZACIVSA-N 1 1 302.374 3.343 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000754742758 621529843 /nfs/dbraw/zinc/52/98/43/621529843.db2.gz ZHOVTYWWEIRNSX-KRWDZBQOSA-N 1 1 318.461 3.160 20 10 DGCDMO COc1cc(C)cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000754742758 621529844 /nfs/dbraw/zinc/52/98/44/621529844.db2.gz ZHOVTYWWEIRNSX-KRWDZBQOSA-N 1 1 318.461 3.160 20 10 DGCDMO COc1cc(C)cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000754740021 621529919 /nfs/dbraw/zinc/52/99/19/621529919.db2.gz FZQMJVXLIBYFGI-INIZCTEOSA-N 1 1 318.461 3.017 20 10 DGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C)cc(OC)c2O)C1(C)C ZINC000754740985 621529954 /nfs/dbraw/zinc/52/99/54/621529954.db2.gz KDUIFSRJUWFRKM-HZPDHXFCSA-N 1 1 307.434 3.345 20 10 DGCDMO C[N@@H+](Cc1c(O)cccc1Br)[C@@H]1CCSC1 ZINC000862221039 621562871 /nfs/dbraw/zinc/56/28/71/621562871.db2.gz QFAOYFCEOBWHDO-SECBINFHSA-N 1 1 302.237 3.092 20 10 DGCDMO Cc1cc(C[N@H+](C)Cc2ccccc2O)ncc1Br ZINC000862227893 621563749 /nfs/dbraw/zinc/56/37/49/621563749.db2.gz JIUBIKHWRFRTSS-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO CCOC[C@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862245296 621566347 /nfs/dbraw/zinc/56/63/47/621566347.db2.gz MIADBYSIDGLGIF-ZDUSSCGKSA-N 1 1 312.404 3.279 20 10 DGCDMO C[N@@H+](CCc1ccccn1)Cc1c(O)cccc1Br ZINC000862324706 621574601 /nfs/dbraw/zinc/57/46/01/621574601.db2.gz SSPPWMOBOHNTEU-UHFFFAOYSA-N 1 1 321.218 3.224 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+](C)C2CCC(CO)CC2)cc1F ZINC000862368735 621579973 /nfs/dbraw/zinc/57/99/73/621579973.db2.gz LWYDAEYPPMZBHM-UHFFFAOYSA-N 1 1 312.404 3.014 20 10 DGCDMO C[C@@]1(F)CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862382115 621582462 /nfs/dbraw/zinc/58/24/62/621582462.db2.gz PYPSTIQGXTUMHW-CYBMUJFWSA-N 1 1 302.187 3.479 20 10 DGCDMO C[C@@]1(F)CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862382115 621582464 /nfs/dbraw/zinc/58/24/64/621582464.db2.gz PYPSTIQGXTUMHW-CYBMUJFWSA-N 1 1 302.187 3.479 20 10 DGCDMO COC[C@@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862390316 621583693 /nfs/dbraw/zinc/58/36/93/621583693.db2.gz CEDDJAFYTGVCMK-CYBMUJFWSA-N 1 1 312.404 3.279 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)CCc2ccco2)c1 ZINC000756357801 621630600 /nfs/dbraw/zinc/63/06/00/621630600.db2.gz PSFBNMXPKQVUFJ-OLZOCXBDSA-N 1 1 317.385 3.444 20 10 DGCDMO COc1ccccc1OCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756371480 621632365 /nfs/dbraw/zinc/63/23/65/621632365.db2.gz JYICPCREKTUVBC-NSHDSACASA-N 1 1 323.339 3.409 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)s2)c1 ZINC000756417138 621637177 /nfs/dbraw/zinc/63/71/77/621637177.db2.gz JYXMANXICFRKNY-LLVKDONJSA-N 1 1 305.399 3.400 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc(F)cc(F)c1O ZINC000756455715 621639675 /nfs/dbraw/zinc/63/96/75/621639675.db2.gz ASAMIKGOIRVRID-PSLIRLAXSA-N 1 1 311.303 3.194 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1O ZINC000756459574 621639918 /nfs/dbraw/zinc/63/99/18/621639918.db2.gz PKWZZVYINZHPNY-ZFWWWQNUSA-N 1 1 303.377 3.033 20 10 DGCDMO CC[C@@H](COC)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756596157 621651813 /nfs/dbraw/zinc/65/18/13/621651813.db2.gz YGKXGFZZMXOGMQ-BDAKNGLRSA-N 1 1 320.202 3.369 20 10 DGCDMO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756638660 621654965 /nfs/dbraw/zinc/65/49/65/621654965.db2.gz VQOUDIIREAYHGU-BZNIZROVSA-N 1 1 307.340 3.363 20 10 DGCDMO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c[nH]nc32)c2c1c(F)ccc2O ZINC000756761897 621662807 /nfs/dbraw/zinc/66/28/07/621662807.db2.gz NBMPYOQBMSOOOJ-ICCXJUOJSA-N 1 1 301.365 3.470 20 10 DGCDMO [NH3+]C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1C(F)(F)F ZINC000863645980 621693424 /nfs/dbraw/zinc/69/34/24/621693424.db2.gz OZHJDYCLPVBECJ-WDEREUQCSA-N 1 1 322.758 3.005 20 10 DGCDMO [NH3+]C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1C(F)(F)F ZINC000863645980 621693428 /nfs/dbraw/zinc/69/34/28/621693428.db2.gz OZHJDYCLPVBECJ-WDEREUQCSA-N 1 1 322.758 3.005 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c(O)c1 ZINC000757864679 621743760 /nfs/dbraw/zinc/74/37/60/621743760.db2.gz BTCHDWOVSPWHEI-DOTOQJQBSA-N 1 1 307.434 3.020 20 10 DGCDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000759143297 621829246 /nfs/dbraw/zinc/82/92/46/621829246.db2.gz FRQFZPGOZCFDKH-OAHLLOKOSA-N 1 1 300.402 3.187 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C[C@H]1n1ccnc1 ZINC000759156651 621830343 /nfs/dbraw/zinc/83/03/43/621830343.db2.gz HJDKUIGLUGDTQF-KBXCAEBGSA-N 1 1 322.412 3.220 20 10 DGCDMO Cn1nc(C[NH2+]Cc2c(O)cccc2Cl)c2ccccc21 ZINC000759189611 621834085 /nfs/dbraw/zinc/83/40/85/621834085.db2.gz BRTYVECLGKSHGP-UHFFFAOYSA-N 1 1 301.777 3.222 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1 ZINC000865690137 621978240 /nfs/dbraw/zinc/97/82/40/621978240.db2.gz WERYCQCSIZZWTI-OPQQBVKSSA-N 1 1 314.223 3.119 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000865690135 621978416 /nfs/dbraw/zinc/97/84/16/621978416.db2.gz WERYCQCSIZZWTI-GBIKHYSHSA-N 1 1 314.223 3.119 20 10 DGCDMO COC(C)(C)CC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000865755357 621989236 /nfs/dbraw/zinc/98/92/36/621989236.db2.gz UFSPBSXZIUYXPR-UHFFFAOYSA-N 1 1 316.239 3.368 20 10 DGCDMO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000865873737 622013129 /nfs/dbraw/zinc/01/31/29/622013129.db2.gz HNBGHGNLDCAHBQ-JQWIXIFHSA-N 1 1 316.239 3.102 20 10 DGCDMO Cc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nc1 ZINC000121044819 622114821 /nfs/dbraw/zinc/11/48/21/622114821.db2.gz MPTHIIFUJGKZRW-SFHVURJKSA-N 1 1 312.413 3.277 20 10 DGCDMO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)CC1(C)OCCO1 ZINC000866427017 622116648 /nfs/dbraw/zinc/11/66/48/622116648.db2.gz GWNDAMQUVFWDAG-NEPJUHHUSA-N 1 1 313.825 3.485 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCCc2nc(C)no2)cc1 ZINC000763480765 622147708 /nfs/dbraw/zinc/14/77/08/622147708.db2.gz MDEAYLZOWSQAHO-UHFFFAOYSA-N 1 1 316.449 3.289 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1ccc(F)cc1O ZINC000866640657 622152161 /nfs/dbraw/zinc/15/21/61/622152161.db2.gz IEKXHERBZSZPMJ-LLVKDONJSA-N 1 1 316.376 3.362 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@@H]1n1ccnc1 ZINC000121624919 622167621 /nfs/dbraw/zinc/16/76/21/622167621.db2.gz ZRJPDYFRFXXKFM-KDOFPFPSSA-N 1 1 311.429 3.161 20 10 DGCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)C(C)C)cc2F)CC1 ZINC000765850722 622291458 /nfs/dbraw/zinc/29/14/58/622291458.db2.gz ARVDPEKSXXHIIM-OAHLLOKOSA-N 1 1 307.457 3.102 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000766224107 622313367 /nfs/dbraw/zinc/31/33/67/622313367.db2.gz LMVSCQUCUAPTCF-LBPRGKRZSA-N 1 1 312.816 3.291 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCn2ccnc2C)cc1 ZINC000766240047 622314348 /nfs/dbraw/zinc/31/43/48/622314348.db2.gz ULCUYWUONYNCFM-UHFFFAOYSA-N 1 1 300.450 3.170 20 10 DGCDMO COc1ccc(C[N@H+](C)Cc2c(O)cccc2OC)c(OC)c1 ZINC000768169442 622443262 /nfs/dbraw/zinc/44/32/62/622443262.db2.gz UVKLQLPTDNRMNT-UHFFFAOYSA-N 1 1 317.385 3.050 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2c(O)cccc2OC)c(OC)c1 ZINC000768169442 622443265 /nfs/dbraw/zinc/44/32/65/622443265.db2.gz UVKLQLPTDNRMNT-UHFFFAOYSA-N 1 1 317.385 3.050 20 10 DGCDMO C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1COc2ccccc2O1 ZINC000768182208 622443628 /nfs/dbraw/zinc/44/36/28/622443628.db2.gz WTXBTSRMXLORMC-CQSZACIVSA-N 1 1 319.788 3.317 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC(F)(F)F)c1 ZINC000768270423 622448150 /nfs/dbraw/zinc/44/81/50/622448150.db2.gz AIGQPTHREQAEIN-DTWKUNHWSA-N 1 1 305.296 3.170 20 10 DGCDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768320250 622450125 /nfs/dbraw/zinc/45/01/25/622450125.db2.gz RRSDGSOVWOQJKW-KRWDZBQOSA-N 1 1 306.425 3.283 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2cc(C)no2)cc1OC ZINC000768438629 622455666 /nfs/dbraw/zinc/45/56/66/622455666.db2.gz DAVAPBXOZOWYTN-CYBMUJFWSA-N 1 1 318.373 3.043 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccccc1)[C@H](O)CO2 ZINC000768441432 622456052 /nfs/dbraw/zinc/45/60/52/622456052.db2.gz LNUKAKRRNSFNSB-FUHWJXTLSA-N 1 1 311.381 3.155 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2ccccn2)cc1OC ZINC000768443848 622456117 /nfs/dbraw/zinc/45/61/17/622456117.db2.gz VEJQRPGWTHXWPJ-HNNXBMFYSA-N 1 1 314.385 3.142 20 10 DGCDMO CC(C)[N@@H+](Cc1cccs1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768442581 622456293 /nfs/dbraw/zinc/45/62/93/622456293.db2.gz MBKHAUQWXQQPIZ-INIZCTEOSA-N 1 1 319.426 3.290 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1C1CCCCC1)[C@@H](O)CO2 ZINC000768442519 622456330 /nfs/dbraw/zinc/45/63/30/622456330.db2.gz KWXKAVIJKKJURL-WMZOPIPTSA-N 1 1 317.429 3.363 20 10 DGCDMO C[C@@](O)(C1CC[NH+](Cc2cccc(F)c2O)CC1)C(F)(F)F ZINC000768531667 622462331 /nfs/dbraw/zinc/46/23/31/622462331.db2.gz HRWKTKKIJSGNQT-CQSZACIVSA-N 1 1 321.314 3.057 20 10 DGCDMO COCCC[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769139615 622501013 /nfs/dbraw/zinc/50/10/13/622501013.db2.gz MBFBSCWAVGNAAK-UHFFFAOYSA-N 1 1 321.421 3.053 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCc3ccc(O)cc3CC2)cc1F ZINC000769191804 622507012 /nfs/dbraw/zinc/50/70/12/622507012.db2.gz MKGYXEQCHRAGGL-UHFFFAOYSA-N 1 1 314.404 3.198 20 10 DGCDMO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000769326398 622518117 /nfs/dbraw/zinc/51/81/17/622518117.db2.gz LJDKOGMGHNNAFR-LJQANCHMSA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(C3CC3)C2)cc1 ZINC000769326398 622518122 /nfs/dbraw/zinc/51/81/22/622518122.db2.gz LJDKOGMGHNNAFR-LJQANCHMSA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC3)C2)cc1 ZINC000769326398 622518125 /nfs/dbraw/zinc/51/81/25/622518125.db2.gz LJDKOGMGHNNAFR-LJQANCHMSA-N 1 1 301.478 3.201 20 10 DGCDMO COC(=O)C1([N@@H+](C)Cc2cc(Cl)ccc2O)CCCCC1 ZINC000769401795 622524611 /nfs/dbraw/zinc/52/46/11/622524611.db2.gz PSBMLNOGSVMZDV-UHFFFAOYSA-N 1 1 311.809 3.353 20 10 DGCDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000769423852 622526541 /nfs/dbraw/zinc/52/65/41/622526541.db2.gz IBOKQAVLIHJZQB-NSHDSACASA-N 1 1 315.344 3.379 20 10 DGCDMO COc1cc(Br)cc(C[N@@H+]2CC=C(C)CC2)c1O ZINC000769447637 622528511 /nfs/dbraw/zinc/52/85/11/622528511.db2.gz UPKUMGURXAJBNJ-UHFFFAOYSA-N 1 1 312.207 3.315 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)c(O)c1 ZINC000769447618 622528578 /nfs/dbraw/zinc/52/85/78/622528578.db2.gz YVGOBFDTGBMLSJ-UHFFFAOYSA-N 1 1 305.418 3.184 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@@H+]2CCO[C@@H](COC)C2)cc1 ZINC000769461210 622529684 /nfs/dbraw/zinc/52/96/84/622529684.db2.gz RDFRGTZWLCHMCH-LJQANCHMSA-N 1 1 320.477 3.160 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2CCO[C@@H](COC)C2)cc1 ZINC000769461210 622529685 /nfs/dbraw/zinc/52/96/85/622529685.db2.gz RDFRGTZWLCHMCH-LJQANCHMSA-N 1 1 320.477 3.160 20 10 DGCDMO CC[N@H+](Cc1c(O)cccc1OC)C[C@H](O)c1ccc(C)cc1 ZINC000769481490 622532454 /nfs/dbraw/zinc/53/24/54/622532454.db2.gz BGRSIPXULSFAFA-SFHVURJKSA-N 1 1 315.413 3.265 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c(O)c1 ZINC000769537642 622538982 /nfs/dbraw/zinc/53/89/82/622538982.db2.gz NQBAWICBCQPFKQ-MRXNPFEDSA-N 1 1 315.417 3.034 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000769536748 622539047 /nfs/dbraw/zinc/53/90/47/622539047.db2.gz DUPNRJIPUQULSP-UHFFFAOYSA-N 1 1 300.402 3.099 20 10 DGCDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1O ZINC000770504549 622640447 /nfs/dbraw/zinc/64/04/47/622640447.db2.gz IZLISEHPMQFEJR-UONOGXRCSA-N 1 1 320.433 3.127 20 10 DGCDMO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000771445570 622760547 /nfs/dbraw/zinc/76/05/47/622760547.db2.gz WVZRXSISIJVBIX-OAHLLOKOSA-N 1 1 315.417 3.013 20 10 DGCDMO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000771445570 622760552 /nfs/dbraw/zinc/76/05/52/622760552.db2.gz WVZRXSISIJVBIX-OAHLLOKOSA-N 1 1 315.417 3.013 20 10 DGCDMO C[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(C)(C)C ZINC000771854066 622803398 /nfs/dbraw/zinc/80/33/98/622803398.db2.gz PYJBHFOYBKNOBC-INIZCTEOSA-N 1 1 303.494 3.210 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)NC1CCCCC1 ZINC000772798101 622941366 /nfs/dbraw/zinc/94/13/66/622941366.db2.gz OEQLWEPCEDZMCV-OAHLLOKOSA-N 1 1 318.461 3.442 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000872721927 622960870 /nfs/dbraw/zinc/96/08/70/622960870.db2.gz PMMLCVCSVLXDTH-UONOGXRCSA-N 1 1 300.427 3.125 20 10 DGCDMO CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773014883 622967309 /nfs/dbraw/zinc/96/73/09/622967309.db2.gz MNPOLYWJPCGECR-INIZCTEOSA-N 1 1 319.493 3.442 20 10 DGCDMO CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773753298 623067511 /nfs/dbraw/zinc/06/75/11/623067511.db2.gz FPKRKPBNANIQNY-GOSISDBHSA-N 1 1 303.494 3.306 20 10 DGCDMO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(N(C)CC)cc2)C1 ZINC000773753298 623067526 /nfs/dbraw/zinc/06/75/26/623067526.db2.gz FPKRKPBNANIQNY-GOSISDBHSA-N 1 1 303.494 3.306 20 10 DGCDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(N(C)CC)cc2)C1 ZINC000773753298 623067533 /nfs/dbraw/zinc/06/75/33/623067533.db2.gz FPKRKPBNANIQNY-GOSISDBHSA-N 1 1 303.494 3.306 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCOc3cc(N)ccc3C2)cc1 ZINC000873219101 623078002 /nfs/dbraw/zinc/07/80/02/623078002.db2.gz VNDRRYUOHHXUIN-ARJAWSKDSA-N 1 1 323.440 3.243 20 10 DGCDMO CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000873224216 623081183 /nfs/dbraw/zinc/08/11/83/623081183.db2.gz XPNYHIIOEZVVGW-MRXNPFEDSA-N 1 1 314.832 3.382 20 10 DGCDMO C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c2c1c(F)ccc2[O-] ZINC000873244522 623089336 /nfs/dbraw/zinc/08/93/36/623089336.db2.gz MITFFRGYQYYDCV-DYEKYZERSA-N 1 1 306.425 3.447 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000774654797 623171910 /nfs/dbraw/zinc/17/19/10/623171910.db2.gz YTGFGZJPNUUVTR-UHFFFAOYSA-N 1 1 312.413 3.333 20 10 DGCDMO COc1c([O-])c(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774836642 623197285 /nfs/dbraw/zinc/19/72/85/623197285.db2.gz UDDUOTWLWUGDRA-DGCLKSJQSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774836642 623197286 /nfs/dbraw/zinc/19/72/86/623197286.db2.gz UDDUOTWLWUGDRA-DGCLKSJQSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774836642 623197288 /nfs/dbraw/zinc/19/72/88/623197288.db2.gz UDDUOTWLWUGDRA-DGCLKSJQSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC[C@H](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000774887190 623204913 /nfs/dbraw/zinc/20/49/13/623204913.db2.gz PJFYKMJHDUWALH-GFCCVEGCSA-N 1 1 308.378 3.177 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@H](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000774887190 623204916 /nfs/dbraw/zinc/20/49/16/623204916.db2.gz PJFYKMJHDUWALH-GFCCVEGCSA-N 1 1 308.378 3.177 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000775014829 623216571 /nfs/dbraw/zinc/21/65/71/623216571.db2.gz QHWLAWUHTXYGAH-SGMGOOAPSA-N 1 1 320.389 3.367 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000775016094 623217156 /nfs/dbraw/zinc/21/71/56/623217156.db2.gz NZTATAILVIYSHS-DMDPSCGWSA-N 1 1 308.378 3.223 20 10 DGCDMO COc1c(O)c(C[NH2+]C2(C)CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000775031791 623219108 /nfs/dbraw/zinc/21/91/08/623219108.db2.gz SNELFERIVWGEQB-UHFFFAOYSA-N 1 1 308.378 3.367 20 10 DGCDMO Cc1cc(C[N@@H+](C)CC(=O)N2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000873984463 623227421 /nfs/dbraw/zinc/22/74/21/623227421.db2.gz BQDFGPHJSAPGCX-UHFFFAOYSA-N 1 1 318.461 3.052 20 10 DGCDMO COc1c(O)c(C[NH2+]C(C)(C)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000775098033 623230484 /nfs/dbraw/zinc/23/04/84/623230484.db2.gz PBACSEQTVFGGSH-UHFFFAOYSA-N 1 1 322.283 3.130 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775111669 623232151 /nfs/dbraw/zinc/23/21/51/623232151.db2.gz OAJYHSDIPFSPFN-WOPDTQHZSA-N 1 1 308.378 3.175 20 10 DGCDMO COc1c(O)c(C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775111669 623232156 /nfs/dbraw/zinc/23/21/56/623232156.db2.gz OAJYHSDIPFSPFN-WOPDTQHZSA-N 1 1 308.378 3.175 20 10 DGCDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775190223 623240473 /nfs/dbraw/zinc/24/04/73/623240473.db2.gz NXQJKPFWKDJBSJ-LLVKDONJSA-N 1 1 323.799 3.298 20 10 DGCDMO Cc1cc(Cl)cc(C[NH+]2CCN(Cc3ccco3)CC2)c1O ZINC000775644474 623302054 /nfs/dbraw/zinc/30/20/54/623302054.db2.gz INXUAURPFYLLMI-UHFFFAOYSA-N 1 1 320.820 3.265 20 10 DGCDMO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775649400 623303770 /nfs/dbraw/zinc/30/37/70/623303770.db2.gz QXLBPWLPOXOHJF-PXNSSMCTSA-N 1 1 315.505 3.449 20 10 DGCDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775649400 623303779 /nfs/dbraw/zinc/30/37/79/623303779.db2.gz QXLBPWLPOXOHJF-PXNSSMCTSA-N 1 1 315.505 3.449 20 10 DGCDMO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775650298 623304495 /nfs/dbraw/zinc/30/44/95/623304495.db2.gz YAOKGEUQKUUFNX-MRXNPFEDSA-N 1 1 313.445 3.224 20 10 DGCDMO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775650298 623304499 /nfs/dbraw/zinc/30/44/99/623304499.db2.gz YAOKGEUQKUUFNX-MRXNPFEDSA-N 1 1 313.445 3.224 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+](C)CC3CCCC3)cc2)CC1 ZINC000775666128 623309450 /nfs/dbraw/zinc/30/94/50/623309450.db2.gz SRLHDVVIUUVAMJ-UHFFFAOYSA-N 1 1 301.478 3.060 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+](C)CC3CCCC3)cc2)CC1 ZINC000775666128 623309456 /nfs/dbraw/zinc/30/94/56/623309456.db2.gz SRLHDVVIUUVAMJ-UHFFFAOYSA-N 1 1 301.478 3.060 20 10 DGCDMO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775669172 623309652 /nfs/dbraw/zinc/30/96/52/623309652.db2.gz TVXKLQOKJXQTTE-DLBZAZTESA-N 1 1 301.478 3.059 20 10 DGCDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775669172 623309658 /nfs/dbraw/zinc/30/96/58/623309658.db2.gz TVXKLQOKJXQTTE-DLBZAZTESA-N 1 1 301.478 3.059 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1O ZINC000775674445 623311033 /nfs/dbraw/zinc/31/10/33/623311033.db2.gz BNIUGWOYWNFKPY-HNNXBMFYSA-N 1 1 305.809 3.388 20 10 DGCDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(C)c3O)C2)o1 ZINC000775672859 623311578 /nfs/dbraw/zinc/31/15/78/623311578.db2.gz PHBSOKYFNNSUOO-GFCCVEGCSA-N 1 1 321.808 3.425 20 10 DGCDMO Cc1cc(Br)cc(C[N@@H+]2CCSC[C@H]2C)c1O ZINC000775696401 623316234 /nfs/dbraw/zinc/31/62/34/623316234.db2.gz KIWAAILOASVBNT-SNVBAGLBSA-N 1 1 316.264 3.400 20 10 DGCDMO CN1CCN(c2ccc(C[NH+]3C4CCCC3CCC4)cc2)CC1 ZINC000775721781 623318425 /nfs/dbraw/zinc/31/84/25/623318425.db2.gz YPKHYEFUUUFWRU-UHFFFAOYSA-N 1 1 313.489 3.345 20 10 DGCDMO C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc(F)c3[O-])CC[C@@H]21 ZINC000775742536 623323056 /nfs/dbraw/zinc/32/30/56/623323056.db2.gz UUFGYCYROOJSLP-ABAIWWIYSA-N 1 1 312.816 3.101 20 10 DGCDMO C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])CC[C@@H]21 ZINC000775742536 623323058 /nfs/dbraw/zinc/32/30/58/623323058.db2.gz UUFGYCYROOJSLP-ABAIWWIYSA-N 1 1 312.816 3.101 20 10 DGCDMO C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])CC[C@@H]21 ZINC000775742536 623323064 /nfs/dbraw/zinc/32/30/64/623323064.db2.gz UUFGYCYROOJSLP-ABAIWWIYSA-N 1 1 312.816 3.101 20 10 DGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H]2C(C)C)c1O ZINC000775765773 623328048 /nfs/dbraw/zinc/32/80/48/623328048.db2.gz RFPCIXYWHJZALY-GFCCVEGCSA-N 1 1 314.223 3.394 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cc1C ZINC000776291358 623407708 /nfs/dbraw/zinc/40/77/08/623407708.db2.gz BQKRVJQJWLKGFX-LJQANCHMSA-N 1 1 311.425 3.453 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+]C2(CO)CCCCC2)c1O ZINC000776591716 623445479 /nfs/dbraw/zinc/44/54/79/623445479.db2.gz UVYSFYTYGDCMGH-UHFFFAOYSA-N 1 1 311.809 3.033 20 10 DGCDMO COc1cc2c(cc1F)C[N@H+](Cc1c(O)cccc1OC)CC2 ZINC000777440932 623525922 /nfs/dbraw/zinc/52/59/22/623525922.db2.gz UGKVIWATXCEEHA-UHFFFAOYSA-N 1 1 317.360 3.107 20 10 DGCDMO COc1cc2c(cc1F)C[N@@H+](Cc1c(O)cccc1OC)CC2 ZINC000777440932 623525927 /nfs/dbraw/zinc/52/59/27/623525927.db2.gz UGKVIWATXCEEHA-UHFFFAOYSA-N 1 1 317.360 3.107 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc3c(cc[nH]c3=O)o2)cc1 ZINC000876511977 623630836 /nfs/dbraw/zinc/63/08/36/623630836.db2.gz XQWKZVZWKLKUII-UHFFFAOYSA-N 1 1 311.385 3.231 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2c(C)cccc2O)c(OC)c1 ZINC000876534280 623636393 /nfs/dbraw/zinc/63/63/93/623636393.db2.gz AYNMCYPPVBVNMS-UHFFFAOYSA-N 1 1 301.386 3.350 20 10 DGCDMO CCC[N@@H+](Cc1c2c(nn1C)CCCC2)Cc1ccccc1O ZINC000876655315 623671173 /nfs/dbraw/zinc/67/11/73/623671173.db2.gz ZEYPVTKOGKJHAJ-UHFFFAOYSA-N 1 1 313.445 3.417 20 10 DGCDMO Cc1cccc(O)c1C[N@H+](C)Cc1cc(Br)cn1C ZINC000876807368 623710605 /nfs/dbraw/zinc/71/06/05/623710605.db2.gz CHZJCYABIMHITB-UHFFFAOYSA-N 1 1 323.234 3.434 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(O)c1 ZINC000876809185 623712193 /nfs/dbraw/zinc/71/21/93/623712193.db2.gz XEOYFNXIRGUXIR-RDJZCZTQSA-N 1 1 301.386 3.382 20 10 DGCDMO Cc1cccc(O)c1CNc1ccc(C[NH+]2CCOCC2)cc1 ZINC000876838799 623725366 /nfs/dbraw/zinc/72/53/66/623725366.db2.gz NESSYKKGWOWPDK-UHFFFAOYSA-N 1 1 312.413 3.145 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC000779143692 623734208 /nfs/dbraw/zinc/73/42/08/623734208.db2.gz NKDKBEADRCYZRV-UHFFFAOYSA-N 1 1 319.408 3.445 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC000779143692 623734214 /nfs/dbraw/zinc/73/42/14/623734214.db2.gz NKDKBEADRCYZRV-UHFFFAOYSA-N 1 1 319.408 3.445 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](CC)C[C@H](O)C(F)(F)F)cc1 ZINC000779193417 623740991 /nfs/dbraw/zinc/74/09/91/623740991.db2.gz QTEDGFMSAIPLAM-HNNXBMFYSA-N 1 1 318.383 3.278 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)cc1 ZINC000779597831 623780407 /nfs/dbraw/zinc/78/04/07/623780407.db2.gz WRTODYQEDZSPPG-UHFFFAOYSA-N 1 1 321.465 3.051 20 10 DGCDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000779605425 623781178 /nfs/dbraw/zinc/78/11/78/623781178.db2.gz SDTCSLUYLCZJAL-INIZCTEOSA-N 1 1 318.461 3.164 20 10 DGCDMO Cc1cccc(O)c1C[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000877425098 623876262 /nfs/dbraw/zinc/87/62/62/623876262.db2.gz YWJAFMVDODKBDN-UHFFFAOYSA-N 1 1 304.390 3.294 20 10 DGCDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877478615 623901958 /nfs/dbraw/zinc/90/19/58/623901958.db2.gz ORKXQHBBTPHPHC-MRXNPFEDSA-N 1 1 314.473 3.412 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000877640080 623974712 /nfs/dbraw/zinc/97/47/12/623974712.db2.gz ULTHGZAXLRVKPY-NEPJUHHUSA-N 1 1 303.324 3.242 20 10 DGCDMO OCCCCOc1ccccc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703202 623998905 /nfs/dbraw/zinc/99/89/05/623998905.db2.gz VYGMDZCFRYOGMT-UHFFFAOYSA-N 1 1 313.397 3.059 20 10 DGCDMO OCCCCOc1ccccc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703202 623998908 /nfs/dbraw/zinc/99/89/08/623998908.db2.gz VYGMDZCFRYOGMT-UHFFFAOYSA-N 1 1 313.397 3.059 20 10 DGCDMO COc1ccc([C@H]2C[N@@H+](Cc3ccc(C)cc3O)CCO2)cc1 ZINC000877755241 624021959 /nfs/dbraw/zinc/02/19/59/624021959.db2.gz GKEXASMPSPQQLK-LJQANCHMSA-N 1 1 313.397 3.283 20 10 DGCDMO COC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000877818028 624048596 /nfs/dbraw/zinc/04/85/96/624048596.db2.gz CMYAJLMFJWJNDZ-OAHLLOKOSA-N 1 1 305.418 3.174 20 10 DGCDMO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000782034550 624191822 /nfs/dbraw/zinc/19/18/22/624191822.db2.gz WCUSSEHGRVOFDX-GOSISDBHSA-N 1 1 316.445 3.060 20 10 DGCDMO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000782034550 624191824 /nfs/dbraw/zinc/19/18/24/624191824.db2.gz WCUSSEHGRVOFDX-GOSISDBHSA-N 1 1 316.445 3.060 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)CC1(O)CCCC1 ZINC000878565533 624309757 /nfs/dbraw/zinc/30/97/57/624309757.db2.gz OWVBHDUPHGPETN-KRWDZBQOSA-N 1 1 321.461 3.050 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](O)CC(F)(F)F)cc1 ZINC000787151683 624984118 /nfs/dbraw/zinc/98/41/18/624984118.db2.gz JIVKOUFLNCHYEO-OAHLLOKOSA-N 1 1 318.383 3.278 20 10 DGCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)[C@@H]1C ZINC000787245162 624991221 /nfs/dbraw/zinc/99/12/21/624991221.db2.gz ZWOMSXYIKWKIQS-UKRRQHHQSA-N 1 1 305.418 3.207 20 10 DGCDMO Oc1ccccc1C[N@H+](C[C@H](O)CC(F)(F)F)C1CCCC1 ZINC000787245672 624991564 /nfs/dbraw/zinc/99/15/64/624991564.db2.gz KNPKDDIBLPCYLZ-CQSZACIVSA-N 1 1 317.351 3.450 20 10 DGCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1C ZINC000787421491 625008735 /nfs/dbraw/zinc/00/87/35/625008735.db2.gz SGNGOPDWTUHEML-MAUKXSAKSA-N 1 1 316.445 3.060 20 10 DGCDMO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1O)c1ccnn1C ZINC000788260116 625108459 /nfs/dbraw/zinc/10/84/59/625108459.db2.gz TXPRAEMNUFDNDA-IUODEOHRSA-N 1 1 305.397 3.355 20 10 DGCDMO C[C@@H]([NH2+]CCN1CCCC1)c1cccc(C(F)(F)F)c1O ZINC000788506556 625201474 /nfs/dbraw/zinc/20/14/74/625201474.db2.gz VYKLOIAZFUJDCU-LLVKDONJSA-N 1 1 302.340 3.157 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1O ZINC000788607658 625226682 /nfs/dbraw/zinc/22/66/82/625226682.db2.gz LYFYOKCYXBNCON-XDTLVQLUSA-N 1 1 303.324 3.365 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000790986886 625731263 /nfs/dbraw/zinc/73/12/63/625731263.db2.gz YUBOVJFROHFIGD-ZDUSSCGKSA-N 1 1 323.795 3.268 20 10 DGCDMO C[C@H]1C[C@@H](CC[NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000790986266 625731430 /nfs/dbraw/zinc/73/14/30/625731430.db2.gz LJEWPRGPIMVQBB-QWRGUYRKSA-N 1 1 301.789 3.480 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cn1 ZINC000882905775 625853008 /nfs/dbraw/zinc/85/30/08/625853008.db2.gz SZUGWXLLYAIBJH-UHFFFAOYSA-N 1 1 321.371 3.201 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000882990008 625888075 /nfs/dbraw/zinc/88/80/75/625888075.db2.gz RRFBZDAAQONVPJ-NSHDSACASA-N 1 1 305.324 3.326 20 10 DGCDMO CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883073514 625917043 /nfs/dbraw/zinc/91/70/43/625917043.db2.gz SAGIVFQELOCCJN-ZDUSSCGKSA-N 1 1 312.404 3.128 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000883078601 625918608 /nfs/dbraw/zinc/91/86/08/625918608.db2.gz WVCPLSHBJCPJEI-YRGRVCCFSA-N 1 1 317.426 3.140 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000792173045 625919644 /nfs/dbraw/zinc/91/96/44/625919644.db2.gz QBQPEJFGGMEXQI-RYUDHWBXSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000792173045 625919646 /nfs/dbraw/zinc/91/96/46/625919646.db2.gz QBQPEJFGGMEXQI-RYUDHWBXSA-N 1 1 313.800 3.433 20 10 DGCDMO CCOc1ccc(C[N@@H+](CCOC)[C@@H]2CC[C@H](C)C2)c(O)c1 ZINC000792192990 625923027 /nfs/dbraw/zinc/92/30/27/625923027.db2.gz PGBPNIHGGHHJQR-GOEBONIOSA-N 1 1 307.434 3.428 20 10 DGCDMO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000131083665 625942416 /nfs/dbraw/zinc/94/24/16/625942416.db2.gz LXDHGCUZMSQONV-CQSZACIVSA-N 1 1 318.392 3.448 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000883174375 625953594 /nfs/dbraw/zinc/95/35/94/625953594.db2.gz JLLZYBUBDAVZPQ-HOCLYGCPSA-N 1 1 319.351 3.333 20 10 DGCDMO CC(C)CC[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000796448947 626050681 /nfs/dbraw/zinc/05/06/81/626050681.db2.gz KVEONPYLSXVPHK-QZTJIDSGSA-N 1 1 321.461 3.170 20 10 DGCDMO CCOc1ccc(O)c(C[NH2+][C@H](C)c2c(F)cncc2F)c1 ZINC000796525657 626058897 /nfs/dbraw/zinc/05/88/97/626058897.db2.gz DGEXCBRDTDAMIK-SNVBAGLBSA-N 1 1 308.328 3.315 20 10 DGCDMO CC[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(F)cc1O ZINC000796692579 626073716 /nfs/dbraw/zinc/07/37/16/626073716.db2.gz GGOJVVIXVQBWKP-CYBMUJFWSA-N 1 1 322.346 3.456 20 10 DGCDMO CC[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(F)cc1O ZINC000796819441 626086446 /nfs/dbraw/zinc/08/64/46/626086446.db2.gz XNGJNFIXYZURFW-HOTGVXAUSA-N 1 1 307.340 3.445 20 10 DGCDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000797604869 626159797 /nfs/dbraw/zinc/15/97/97/626159797.db2.gz JUEBBUKZYOUCDJ-FQEVSTJZSA-N 1 1 324.424 3.017 20 10 DGCDMO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccc(N2CCCCC2)cc1 ZINC000798954792 626262358 /nfs/dbraw/zinc/26/23/58/626262358.db2.gz DEXVNNDSRZFPJR-INIZCTEOSA-N 1 1 318.461 3.450 20 10 DGCDMO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccc(N2CCCCC2)cc1 ZINC000798954792 626262360 /nfs/dbraw/zinc/26/23/60/626262360.db2.gz DEXVNNDSRZFPJR-INIZCTEOSA-N 1 1 318.461 3.450 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c(O)c1 ZINC000798960268 626263279 /nfs/dbraw/zinc/26/32/79/626263279.db2.gz DOQSHZPBWPEXRK-QGZVFWFLSA-N 1 1 315.417 3.252 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799154882 626276030 /nfs/dbraw/zinc/27/60/30/626276030.db2.gz JUMMJGNFJWQVAP-OAHLLOKOSA-N 1 1 305.381 3.325 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCC=C(Br)C2)c(O)c1 ZINC000799737054 626325454 /nfs/dbraw/zinc/32/54/54/626325454.db2.gz TVDXHSWNEQHLDT-UHFFFAOYSA-N 1 1 312.207 3.275 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC=C(Br)C2)c(O)c1 ZINC000799737054 626325456 /nfs/dbraw/zinc/32/54/56/626325456.db2.gz TVDXHSWNEQHLDT-UHFFFAOYSA-N 1 1 312.207 3.275 20 10 DGCDMO CCc1nocc1C[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000840089766 626753538 /nfs/dbraw/zinc/75/35/38/626753538.db2.gz SKSHRTLQXPWHOM-UHFFFAOYSA-N 1 1 300.402 3.453 20 10 DGCDMO COC[C@]1(C)CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000840105955 626763687 /nfs/dbraw/zinc/76/36/87/626763687.db2.gz HAKLUFXLEMRKKR-LJQANCHMSA-N 1 1 315.413 3.412 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)CCCC2 ZINC000840119974 626771916 /nfs/dbraw/zinc/77/19/16/626771916.db2.gz JVMIQAZNJDEKMW-GUDVDZBRSA-N 1 1 315.457 3.396 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000840120447 626771969 /nfs/dbraw/zinc/77/19/69/626771969.db2.gz LLUDUPCSLAMMKR-BMGDILEWSA-N 1 1 312.413 3.066 20 10 DGCDMO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000133468615 626789011 /nfs/dbraw/zinc/78/90/11/626789011.db2.gz MRUUBOJZVUUDKQ-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO Cc1cccc(Cl)c1NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000133468615 626789012 /nfs/dbraw/zinc/78/90/12/626789012.db2.gz MRUUBOJZVUUDKQ-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO COc1cc(C[N@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c(O)cc1C ZINC000840143655 626857052 /nfs/dbraw/zinc/85/70/52/626857052.db2.gz WERQOAUXDSAHEL-IAGOWNOFSA-N 1 1 305.418 3.099 20 10 DGCDMO C[C@H](O)C[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809639103 626931178 /nfs/dbraw/zinc/93/11/78/626931178.db2.gz HCGIRMVFSRBONF-INIZCTEOSA-N 1 1 310.441 3.062 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](CC2CCC2)[C@@H](C)CO)c1O ZINC000809665502 626934803 /nfs/dbraw/zinc/93/48/03/626934803.db2.gz VBXLBXRSYJEAHY-NSHDSACASA-N 1 1 313.825 3.037 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c(O)c1 ZINC000809700708 626938779 /nfs/dbraw/zinc/93/87/79/626938779.db2.gz MWNAIOJHIWETMY-ZBFHGGJFSA-N 1 1 307.434 3.306 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](CCc2ccccc2)CCN(C)C)c1 ZINC000809730985 626943232 /nfs/dbraw/zinc/94/32/32/626943232.db2.gz MVSDMHUMUAXQIE-UHFFFAOYSA-N 1 1 312.457 3.307 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000809747722 626946085 /nfs/dbraw/zinc/94/60/85/626946085.db2.gz VAXGWSSALNZINC-CQSZACIVSA-N 1 1 309.768 3.398 20 10 DGCDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000809749137 626946089 /nfs/dbraw/zinc/94/60/89/626946089.db2.gz KJQMFWSSYPCRKG-GFCCVEGCSA-N 1 1 309.381 3.085 20 10 DGCDMO COc1cc(O)c(C[NH2+]C2(C(F)F)CCCC2)cc1OC ZINC000809789919 626953725 /nfs/dbraw/zinc/95/37/25/626953725.db2.gz NNCIQOVVNIRUMF-UHFFFAOYSA-N 1 1 301.333 3.077 20 10 DGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)c1O ZINC000810252775 626993094 /nfs/dbraw/zinc/99/30/94/626993094.db2.gz JAGDGZACBXOBJP-JQWIXIFHSA-N 1 1 305.809 3.285 20 10 DGCDMO COc1ccc(C[NH2+][C@H](C)c2c(O)cccc2F)cc1OC ZINC000886489707 627152047 /nfs/dbraw/zinc/15/20/47/627152047.db2.gz PABUDAQEKBVHLX-LLVKDONJSA-N 1 1 305.349 3.399 20 10 DGCDMO COc1ccc(OC)c(C[NH2+][C@H](C)c2c(O)cccc2F)c1 ZINC000886494973 627152914 /nfs/dbraw/zinc/15/29/14/627152914.db2.gz COVFTBHXODYKJZ-LLVKDONJSA-N 1 1 305.349 3.399 20 10 DGCDMO COc1cccc(C[NH2+][C@@H](C)c2c(O)cccc2F)c1OC ZINC000886507728 627154622 /nfs/dbraw/zinc/15/46/22/627154622.db2.gz XAASBDSTBIFGHS-NSHDSACASA-N 1 1 305.349 3.399 20 10 DGCDMO COc1ccc(C[NH2+][C@@H](C)c2c(O)cccc2F)c(OC)c1 ZINC000886507466 627154733 /nfs/dbraw/zinc/15/47/33/627154733.db2.gz MCOKUSWSAJHTDL-NSHDSACASA-N 1 1 305.349 3.399 20 10 DGCDMO C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1c(O)cccc1F ZINC000886515471 627155564 /nfs/dbraw/zinc/15/55/64/627155564.db2.gz HWENFRSWIGUMAW-CYBMUJFWSA-N 1 1 300.377 3.198 20 10 DGCDMO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886528150 627157309 /nfs/dbraw/zinc/15/73/09/627157309.db2.gz HVPIGANRSQYFAW-HZMBPMFUSA-N 1 1 301.365 3.358 20 10 DGCDMO C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1c(O)cccc1F ZINC000886588704 627168636 /nfs/dbraw/zinc/16/86/36/627168636.db2.gz XSCIHDKLIHXGKH-DZGCQCFKSA-N 1 1 303.377 3.176 20 10 DGCDMO CC(C)[C@H](C[NH2+][C@H](C)c1c(O)cccc1F)c1ccnn1C ZINC000886599314 627170631 /nfs/dbraw/zinc/17/06/31/627170631.db2.gz WDUVWGNIUVACRC-OLZOCXBDSA-N 1 1 305.397 3.355 20 10 DGCDMO C[C@@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1c(O)cccc1F ZINC000886631881 627177316 /nfs/dbraw/zinc/17/73/16/627177316.db2.gz YMZDCVOOQRDKSC-BFUOFWGJSA-N 1 1 315.388 3.058 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1c(O)cccc1F ZINC000886637610 627178175 /nfs/dbraw/zinc/17/81/75/627178175.db2.gz ASAZSCZOWCVIGZ-JGGQBBKZSA-N 1 1 317.408 3.327 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1c(O)cccc1F ZINC000886641983 627178592 /nfs/dbraw/zinc/17/85/92/627178592.db2.gz WXYGMMAJRXSHRQ-DOMZBBRYSA-N 1 1 301.361 3.323 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1c(O)cccc1F ZINC000886648202 627179991 /nfs/dbraw/zinc/17/99/91/627179991.db2.gz NPLDNLOBUDAZLN-WBMJQRKESA-N 1 1 300.377 3.369 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1)c1ccc(F)cc1O ZINC000886767051 627202683 /nfs/dbraw/zinc/20/26/83/627202683.db2.gz YMIKYUOEKFHRAK-XJOINEQPSA-N 1 1 323.408 3.299 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC000811512127 627285330 /nfs/dbraw/zinc/28/53/30/627285330.db2.gz DQEWURZJJPLOBU-AWEZNQCLSA-N 1 1 310.388 3.000 20 10 DGCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C1CC1 ZINC000811513842 627286231 /nfs/dbraw/zinc/28/62/31/627286231.db2.gz SGICBWBTWREUBM-GOSISDBHSA-N 1 1 318.436 3.283 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1F ZINC000811518807 627287112 /nfs/dbraw/zinc/28/71/12/627287112.db2.gz PDRVANVDLKJNCF-ROUUACIJSA-N 1 1 318.436 3.425 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1F ZINC000811518805 627287275 /nfs/dbraw/zinc/28/72/75/627287275.db2.gz PDRVANVDLKJNCF-MSOLQXFVSA-N 1 1 318.436 3.425 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(O)c1 ZINC000811518811 627287405 /nfs/dbraw/zinc/28/74/05/627287405.db2.gz PEXSFYIWAVMKQO-MSOLQXFVSA-N 1 1 317.429 3.324 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1O ZINC000811803400 627322374 /nfs/dbraw/zinc/32/23/74/627322374.db2.gz LFKCFKGWHWYGLR-CQSZACIVSA-N 1 1 321.808 3.006 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811790532 627322826 /nfs/dbraw/zinc/32/28/26/627322826.db2.gz NCQJNAGBMYWQPW-MOPGFXCFSA-N 1 1 324.424 3.474 20 10 DGCDMO Cc1cc(C[N@@H+]2CCC[C@@H]2CN2CCCC2)ccc1N(C)C ZINC000815033706 627618286 /nfs/dbraw/zinc/61/82/86/627618286.db2.gz QIRYKIDPQOJKDC-GOSISDBHSA-N 1 1 301.478 3.121 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@@H]2CN2CCCC2)ccc1N(C)C ZINC000815033706 627618289 /nfs/dbraw/zinc/61/82/89/627618289.db2.gz QIRYKIDPQOJKDC-GOSISDBHSA-N 1 1 301.478 3.121 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)Cc1ccc(F)cc1 ZINC000815055382 627619983 /nfs/dbraw/zinc/61/99/83/627619983.db2.gz YTBFCAOFMLZIBF-SFHVURJKSA-N 1 1 317.404 3.347 20 10 DGCDMO Cc1cc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)ccc1N(C)C ZINC000815058783 627620174 /nfs/dbraw/zinc/62/01/74/627620174.db2.gz TXBAZGASHWOQRG-QGZVFWFLSA-N 1 1 318.461 3.367 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)ccc1N(C)C ZINC000815058783 627620178 /nfs/dbraw/zinc/62/01/78/627620178.db2.gz TXBAZGASHWOQRG-QGZVFWFLSA-N 1 1 318.461 3.367 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)ccc1N(C)C ZINC000815062452 627621509 /nfs/dbraw/zinc/62/15/09/627621509.db2.gz UVDDYVIZSGCRHA-GOSISDBHSA-N 1 1 311.429 3.109 20 10 DGCDMO CC1(C)CCC[C@]1(O)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000815147800 627637275 /nfs/dbraw/zinc/63/72/75/627637275.db2.gz WMEWZYXDZZNZTA-HNNXBMFYSA-N 1 1 301.789 3.216 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]CCC(C)(C)C3CC3)cc2)CC1 ZINC000815163506 627639861 /nfs/dbraw/zinc/63/98/61/627639861.db2.gz OUGHMCFXUVBPBV-UHFFFAOYSA-N 1 1 315.505 3.354 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@H](C)c2nn(CC)nc2C)cc1 ZINC000924710466 627671445 /nfs/dbraw/zinc/67/14/45/627671445.db2.gz LHNJUXGBYGSWEV-CQSZACIVSA-N 1 1 315.465 3.303 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cn2c(n1)CCCC2 ZINC000924863463 627688502 /nfs/dbraw/zinc/68/85/02/627688502.db2.gz YATSZWRFRFWPFK-CYBMUJFWSA-N 1 1 316.424 3.275 20 10 DGCDMO Cc1nnsc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815629217 627693091 /nfs/dbraw/zinc/69/30/91/627693091.db2.gz XMBHFZBXDOHOIU-ZETCQYMHSA-N 1 1 317.336 3.422 20 10 DGCDMO OCC[N@H+](Cc1cc(Cl)c(F)cc1O)C1CCCCC1 ZINC000816477999 627795386 /nfs/dbraw/zinc/79/53/86/627795386.db2.gz QQPLQOJABKGYMV-UHFFFAOYSA-N 1 1 301.789 3.312 20 10 DGCDMO OCC[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CCCCC1 ZINC000816477999 627795389 /nfs/dbraw/zinc/79/53/89/627795389.db2.gz QQPLQOJABKGYMV-UHFFFAOYSA-N 1 1 301.789 3.312 20 10 DGCDMO CC[NH+](CC)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816483784 627796176 /nfs/dbraw/zinc/79/61/76/627796176.db2.gz DVJPXBRCQIVBPV-GFCCVEGCSA-N 1 1 300.805 3.101 20 10 DGCDMO Oc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)c(F)cc1O)CC2 ZINC000816498787 627797524 /nfs/dbraw/zinc/79/75/24/627797524.db2.gz MBJJZLGKMYKFKQ-UHFFFAOYSA-N 1 1 321.779 3.491 20 10 DGCDMO Oc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)c(F)cc1O)CC2 ZINC000816498787 627797525 /nfs/dbraw/zinc/79/75/25/627797525.db2.gz MBJJZLGKMYKFKQ-UHFFFAOYSA-N 1 1 321.779 3.491 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000816501757 627797668 /nfs/dbraw/zinc/79/76/68/627797668.db2.gz AAHLOPYOIDSXCR-LBPRGKRZSA-N 1 1 309.772 3.218 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000816501757 627797671 /nfs/dbraw/zinc/79/76/71/627797671.db2.gz AAHLOPYOIDSXCR-LBPRGKRZSA-N 1 1 309.772 3.218 20 10 DGCDMO NC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc2ccccc2c1O ZINC000816509290 627798998 /nfs/dbraw/zinc/79/89/98/627798998.db2.gz LGSFUHHMGDKZAF-UHFFFAOYSA-N 1 1 320.392 3.033 20 10 DGCDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816519810 627801764 /nfs/dbraw/zinc/80/17/64/627801764.db2.gz WTGWRKBUOFUQAY-CQSZACIVSA-N 1 1 323.799 3.428 20 10 DGCDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816519810 627801774 /nfs/dbraw/zinc/80/17/74/627801774.db2.gz WTGWRKBUOFUQAY-CQSZACIVSA-N 1 1 323.799 3.428 20 10 DGCDMO Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816532621 627803633 /nfs/dbraw/zinc/80/36/33/627803633.db2.gz OXWQZKCTNLJVHP-SNVBAGLBSA-N 1 1 311.788 3.116 20 10 DGCDMO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816553634 627806813 /nfs/dbraw/zinc/80/68/13/627806813.db2.gz BUJXETJPUQPTFQ-UHFFFAOYSA-N 1 1 324.739 3.425 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H](O)Cc1ccccc1 ZINC000816558121 627807168 /nfs/dbraw/zinc/80/71/68/627807168.db2.gz NULKTMDGAZDLIS-MEDUHNTESA-N 1 1 323.795 3.266 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000816559185 627807292 /nfs/dbraw/zinc/80/72/92/627807292.db2.gz AWILNVYBFFYTPJ-VCTAVGKDSA-N 1 1 311.784 3.232 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000816567570 627809466 /nfs/dbraw/zinc/80/94/66/627809466.db2.gz FSUSKLATAGPVKT-LBPRGKRZSA-N 1 1 313.800 3.433 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CO)CC2)cc1F ZINC000816666798 627822801 /nfs/dbraw/zinc/82/28/01/627822801.db2.gz WNVANJRMGIUVKA-HNNXBMFYSA-N 1 1 308.441 3.266 20 10 DGCDMO Cc1cc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)ccc1N1CCCCC1 ZINC000817281899 627877325 /nfs/dbraw/zinc/87/73/25/627877325.db2.gz SFJVYKRUDQOGNW-QFBILLFUSA-N 1 1 316.489 3.436 20 10 DGCDMO CC[C@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1ccc(F)cc1O ZINC000817588843 627927646 /nfs/dbraw/zinc/92/76/46/627927646.db2.gz RSNGNSFJZZAJNV-DOMZBBRYSA-N 1 1 311.397 3.156 20 10 DGCDMO CC1CCN(c2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000817901309 627957309 /nfs/dbraw/zinc/95/73/09/627957309.db2.gz BDAAIADPHOMHRD-DFNIBXOVSA-N 1 1 313.489 3.296 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC000817938255 627966850 /nfs/dbraw/zinc/96/68/50/627966850.db2.gz HMQFERYQQXLXLG-XIKOKIGWSA-N 1 1 319.399 3.381 20 10 DGCDMO Cc1ccc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817939116 627967391 /nfs/dbraw/zinc/96/73/91/627967391.db2.gz ZEZGXRIWUUKZNH-BBRMVZONSA-N 1 1 303.475 3.473 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCCNC1)c1ccc(N2CCCCCC2)cc1 ZINC000817940074 627967398 /nfs/dbraw/zinc/96/73/98/627967398.db2.gz DDSGCTXGUGVHHZ-FUHWJXTLSA-N 1 1 301.478 3.470 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000817938967 627967660 /nfs/dbraw/zinc/96/76/60/627967660.db2.gz WNRRDMUONLWSPB-OALUTQOASA-N 1 1 313.420 3.169 20 10 DGCDMO Cc1ccc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817939119 627967928 /nfs/dbraw/zinc/96/79/28/627967928.db2.gz ZEZGXRIWUUKZNH-XJKSGUPXSA-N 1 1 303.475 3.473 20 10 DGCDMO CC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000817942773 627969266 /nfs/dbraw/zinc/96/92/66/627969266.db2.gz QVVXXSMQQGPEQI-IRXDYDNUSA-N 1 1 316.424 3.027 20 10 DGCDMO CCc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)o1 ZINC000817942356 627969315 /nfs/dbraw/zinc/96/93/15/627969315.db2.gz OLBGSHGSGHARGM-DYVFJYSZSA-N 1 1 301.434 3.259 20 10 DGCDMO CCc1cccnc1[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817942458 627969380 /nfs/dbraw/zinc/96/93/80/627969380.db2.gz OYBROFNUUJBTON-KDOFPFPSSA-N 1 1 312.461 3.061 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)nc1 ZINC000817944301 627970071 /nfs/dbraw/zinc/97/00/71/627970071.db2.gz ZASUBBGCJZSUED-MLGOLLRUSA-N 1 1 318.852 3.152 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc(Cl)ccc1[O-] ZINC000817947664 627970486 /nfs/dbraw/zinc/97/04/86/627970486.db2.gz FCXFVHPQACAPOP-GFCCVEGCSA-N 1 1 304.821 3.398 20 10 DGCDMO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817945616 627970943 /nfs/dbraw/zinc/97/09/43/627970943.db2.gz HVFSSQNUBLUIQB-JKSUJKDBSA-N 1 1 319.468 3.466 20 10 DGCDMO C[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817960336 627975891 /nfs/dbraw/zinc/97/58/91/627975891.db2.gz MEDDDHKQAIFTFB-DYVFJYSZSA-N 1 1 305.441 3.204 20 10 DGCDMO CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817959890 627975961 /nfs/dbraw/zinc/97/59/61/627975961.db2.gz WHVKONDROZCXQH-QWRGUYRKSA-N 1 1 304.356 3.435 20 10 DGCDMO [NH3+]CC(F)(F)CN[C@H](CCc1ccccc1)c1ccccc1O ZINC000817968411 627978487 /nfs/dbraw/zinc/97/84/87/627978487.db2.gz RWOIUJYHGPPKAT-MRXNPFEDSA-N 1 1 320.383 3.250 20 10 DGCDMO C[C@@H](NCC[C@H]1CCC[NH2+]1)c1ccc(N2CCCCC2)cc1 ZINC000817969091 627979071 /nfs/dbraw/zinc/97/90/71/627979071.db2.gz RJPHSDINXZIRCQ-SJLPKXTDSA-N 1 1 301.478 3.470 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(F)cc1O ZINC000817975864 627980953 /nfs/dbraw/zinc/98/09/53/627980953.db2.gz YZGWWVNJTBGFNT-PXAZEXFGSA-N 1 1 300.377 3.069 20 10 DGCDMO CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(Br)ccc1[O-] ZINC000817977885 627981729 /nfs/dbraw/zinc/98/17/29/627981729.db2.gz RCNHNYAHBCUSQA-GXFFZTMASA-N 1 1 315.255 3.323 20 10 DGCDMO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000818345811 628016763 /nfs/dbraw/zinc/01/67/63/628016763.db2.gz PJZMBEJPMQKFLG-JTQLQIEISA-N 1 1 308.813 3.125 20 10 DGCDMO CC[C@@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccc(F)cc1O ZINC000927119768 628020979 /nfs/dbraw/zinc/02/09/79/628020979.db2.gz ZYBWOXPGJWDFAX-GFCCVEGCSA-N 1 1 322.405 3.301 20 10 DGCDMO CC[C@](C)(C(=O)OC)[N@H+](Cc1cc(F)ccc1O)CC1CC1 ZINC000822504538 628458986 /nfs/dbraw/zinc/45/89/86/628458986.db2.gz UKMNHETXJDAOKE-QGZVFWFLSA-N 1 1 309.381 3.085 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822530182 628461807 /nfs/dbraw/zinc/46/18/07/628461807.db2.gz SSZNFAREGFQJOB-GOSISDBHSA-N 1 1 317.429 3.182 20 10 DGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000823395595 628556367 /nfs/dbraw/zinc/55/63/67/628556367.db2.gz XTNTVWMKSFKABE-QGZVFWFLSA-N 1 1 316.470 3.341 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3ccncc3C)CC2)cc1 ZINC000823419373 628559472 /nfs/dbraw/zinc/55/94/72/628559472.db2.gz ZUUNYNINQBHBNF-UHFFFAOYSA-N 1 1 311.429 3.111 20 10 DGCDMO CCC[C@H](C[NH2+]Cc1cc(C)cc(Br)c1O)OC ZINC000824544099 628668940 /nfs/dbraw/zinc/66/89/40/628668940.db2.gz TZZNEGFGUGLOKW-GFCCVEGCSA-N 1 1 316.239 3.368 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1Cl ZINC000824597433 628675428 /nfs/dbraw/zinc/67/54/28/628675428.db2.gz QZPWIVKHPDTGPY-LBPRGKRZSA-N 1 1 305.809 3.457 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000824636474 628679285 /nfs/dbraw/zinc/67/92/85/628679285.db2.gz QRRXUISUBNFAKA-PKOBYXMFSA-N 1 1 315.388 3.001 20 10 DGCDMO COc1cc(C[N@H+]2CCOC[C@@H]2C2CC2)c(O)c(C(C)(C)C)c1 ZINC000824861957 628701322 /nfs/dbraw/zinc/70/13/22/628701322.db2.gz FBLXLTIQDJVBBM-QGZVFWFLSA-N 1 1 319.445 3.309 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCc3cccc(OC)c3C2)c1 ZINC000824983165 628713066 /nfs/dbraw/zinc/71/30/66/628713066.db2.gz SAJOBEGGRNHTJE-UHFFFAOYSA-N 1 1 313.397 3.358 20 10 DGCDMO CCOCc1cc(C[NH2+][C@H](C)c2nccn2CC)ccc1OC ZINC000825005381 628715486 /nfs/dbraw/zinc/71/54/86/628715486.db2.gz JBTYJUULPZEYOH-CQSZACIVSA-N 1 1 317.433 3.299 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)c1O ZINC000825025202 628717317 /nfs/dbraw/zinc/71/73/17/628717317.db2.gz ZJQKTGSQEBFDCD-HXUWFJFHSA-N 1 1 315.866 3.087 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)c1O ZINC000825025202 628717318 /nfs/dbraw/zinc/71/73/18/628717318.db2.gz ZJQKTGSQEBFDCD-HXUWFJFHSA-N 1 1 315.866 3.087 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@]2(C)CO)c(O)c(C(C)(C)C)c1 ZINC000825628977 628778933 /nfs/dbraw/zinc/77/89/33/628778933.db2.gz OMQYZRVJHLMOEI-GOSISDBHSA-N 1 1 307.434 3.045 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H](O)C2(C)C)c(O)c(C(C)(C)C)c1 ZINC000825956241 628814786 /nfs/dbraw/zinc/81/47/86/628814786.db2.gz ZTDIDILPDSSDNV-OAHLLOKOSA-N 1 1 307.434 3.044 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1F ZINC000827151573 628928794 /nfs/dbraw/zinc/92/87/94/628928794.db2.gz FYRMKHZBCHKSTQ-UOIKSKOESA-N 1 1 308.441 3.121 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000827172347 628931725 /nfs/dbraw/zinc/93/17/25/628931725.db2.gz RIAMONHTGZNRPA-HOCLYGCPSA-N 1 1 307.752 3.453 20 10 DGCDMO CCc1cccc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1O ZINC000827259439 628942515 /nfs/dbraw/zinc/94/25/15/628942515.db2.gz FFMQIMWQHSUEEL-QGZVFWFLSA-N 1 1 302.462 3.451 20 10 DGCDMO CCc1cccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)c1O ZINC000827259439 628942517 /nfs/dbraw/zinc/94/25/17/628942517.db2.gz FFMQIMWQHSUEEL-QGZVFWFLSA-N 1 1 302.462 3.451 20 10 DGCDMO Cc1cccc(C[N@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1O ZINC000827786748 628991083 /nfs/dbraw/zinc/99/10/83/628991083.db2.gz LKMPLEFQFWTQSZ-DGCLKSJQSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1O ZINC000827786748 628991086 /nfs/dbraw/zinc/99/10/86/628991086.db2.gz LKMPLEFQFWTQSZ-DGCLKSJQSA-N 1 1 303.324 3.242 20 10 DGCDMO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1O ZINC000827969378 629009312 /nfs/dbraw/zinc/00/93/12/629009312.db2.gz KTBLIRCFKYKFRB-YOEHRIQHSA-N 1 1 316.445 3.367 20 10 DGCDMO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1O ZINC000827969224 629009530 /nfs/dbraw/zinc/00/95/30/629009530.db2.gz KTBLIRCFKYKFRB-WMLDXEAASA-N 1 1 316.445 3.367 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c1 ZINC000828014165 629014520 /nfs/dbraw/zinc/01/45/20/629014520.db2.gz VYUJHQOOHGCVQK-UHFFFAOYSA-N 1 1 315.417 3.099 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1O ZINC000828893373 629106133 /nfs/dbraw/zinc/10/61/33/629106133.db2.gz JVQRJPQCOSMDOO-CXAGYDPISA-N 1 1 321.392 3.125 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000828987794 629117507 /nfs/dbraw/zinc/11/75/07/629117507.db2.gz LQKNTTXBBHQPHG-QFBILLFUSA-N 1 1 302.462 3.188 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1C ZINC000831526999 629385835 /nfs/dbraw/zinc/38/58/35/629385835.db2.gz BBBYJJATGTWFIX-BONVTDFDSA-N 1 1 311.809 3.105 20 10 DGCDMO C[C@@H](CCO)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000834829947 629786250 /nfs/dbraw/zinc/78/62/50/629786250.db2.gz AGIJUFUEFBIGSR-MNOVXSKESA-N 1 1 305.340 3.470 20 10 DGCDMO CN(C)c1ccc(/C=C/CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000835030452 629829841 /nfs/dbraw/zinc/82/98/41/629829841.db2.gz YEHVCRBYEANRCM-DTRRYIFCSA-N 1 1 313.489 3.182 20 10 DGCDMO CN(C)c1ccc(/C=C/CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000835030452 629829843 /nfs/dbraw/zinc/82/98/43/629829843.db2.gz YEHVCRBYEANRCM-DTRRYIFCSA-N 1 1 313.489 3.182 20 10 DGCDMO CN(C)c1ccc(/C=C/CN[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000835044128 629833910 /nfs/dbraw/zinc/83/39/10/629833910.db2.gz WWKPLOHTMDHXRN-JISXSJDESA-N 1 1 301.478 3.228 20 10 DGCDMO CC[C@@]1(CO)CCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835045569 629834865 /nfs/dbraw/zinc/83/48/65/629834865.db2.gz IXHWKPSZITXDHY-SUOMESGTSA-N 1 1 302.462 3.250 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](c3nccn3C)C2)cc1 ZINC000835048028 629835909 /nfs/dbraw/zinc/83/59/09/629835909.db2.gz DRHDQWLSVNRUGL-SUZKBHRPSA-N 1 1 324.472 3.379 20 10 DGCDMO Cc1noc([C@H]2CCC[N@H+]2C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835052916 629837523 /nfs/dbraw/zinc/83/75/23/629837523.db2.gz IPMBFLWYSIOPJP-UKINESCASA-N 1 1 312.417 3.294 20 10 DGCDMO Cc1noc([C@H]2CCC[N@@H+]2C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835052916 629837524 /nfs/dbraw/zinc/83/75/24/629837524.db2.gz IPMBFLWYSIOPJP-UKINESCASA-N 1 1 312.417 3.294 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000835054236 629838646 /nfs/dbraw/zinc/83/86/46/629838646.db2.gz TVXAWWDFIGDVHL-ARJAWSKDSA-N 1 1 324.424 3.366 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000835054236 629838650 /nfs/dbraw/zinc/83/86/50/629838650.db2.gz TVXAWWDFIGDVHL-ARJAWSKDSA-N 1 1 324.424 3.366 20 10 DGCDMO CN(C)c1ccc(/C=C\C[NH2+]Cc2noc3c2CCCC3)cc1 ZINC000835054190 629838680 /nfs/dbraw/zinc/83/86/80/629838680.db2.gz SEIQKUTYOQYRRH-WAYWQWQTSA-N 1 1 311.429 3.422 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000835055536 629838838 /nfs/dbraw/zinc/83/88/38/629838838.db2.gz VTRLDFCJBBDASF-CGCMPYLGSA-N 1 1 314.473 3.391 20 10 DGCDMO CC(C)[C@@]1(CO)CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835055486 629839082 /nfs/dbraw/zinc/83/90/82/629839082.db2.gz KUFCJMFMNXZPHG-CYXJOQHWSA-N 1 1 316.489 3.496 20 10 DGCDMO CC[C@H]1C[N@@H+](CC)CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835054956 629839098 /nfs/dbraw/zinc/83/90/98/629839098.db2.gz OMMYGPAUZARBMF-DVBCCOPCSA-N 1 1 301.478 3.182 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000835055966 629839550 /nfs/dbraw/zinc/83/95/50/629839550.db2.gz QNXDWQLBGKPWSF-DUMMIQTOSA-N 1 1 300.446 3.145 20 10 DGCDMO CN(C)c1ccc(CNC(C)(C)C[NH+](C)C)c(C(F)(F)F)c1 ZINC000835070648 629843282 /nfs/dbraw/zinc/84/32/82/629843282.db2.gz UKDMMLAIOHAGDI-UHFFFAOYSA-N 1 1 317.399 3.201 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@]2(C)CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000835075312 629844638 /nfs/dbraw/zinc/84/46/38/629844638.db2.gz XKZGFDFNOSOIBL-BZNIZROVSA-N 1 1 308.378 3.367 20 10 DGCDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840913426 630377044 /nfs/dbraw/zinc/37/70/44/630377044.db2.gz WBIJECHDHSWVJG-ZDUSSCGKSA-N 1 1 324.852 3.092 20 10 DGCDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3c(O)cc(C)cc3Cl)C2)[nH]1 ZINC000840920253 630379065 /nfs/dbraw/zinc/37/90/65/630379065.db2.gz UNHZHQLBHGUHFK-GFCCVEGCSA-N 1 1 320.824 3.160 20 10 DGCDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)n1 ZINC000840920253 630379068 /nfs/dbraw/zinc/37/90/68/630379068.db2.gz UNHZHQLBHGUHFK-GFCCVEGCSA-N 1 1 320.824 3.160 20 10 DGCDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3c(O)cc(C)cc3Cl)C2)n1 ZINC000840920253 630379070 /nfs/dbraw/zinc/37/90/70/630379070.db2.gz UNHZHQLBHGUHFK-GFCCVEGCSA-N 1 1 320.824 3.160 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](c3nccn3C)C2)c(Cl)c1 ZINC000840949137 630382485 /nfs/dbraw/zinc/38/24/85/630382485.db2.gz RCPDMWBLLUBTHQ-LBPRGKRZSA-N 1 1 305.809 3.077 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c(Cl)c1 ZINC000840948960 630382934 /nfs/dbraw/zinc/38/29/34/630382934.db2.gz KEESNJOCOFMNKF-DLBZAZTESA-N 1 1 307.821 3.497 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c(Cl)c1 ZINC000840948960 630382936 /nfs/dbraw/zinc/38/29/36/630382936.db2.gz KEESNJOCOFMNKF-DLBZAZTESA-N 1 1 307.821 3.497 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000840952952 630383201 /nfs/dbraw/zinc/38/32/01/630383201.db2.gz CVGAAGMBCALXGO-UHFFFAOYSA-N 1 1 321.783 3.354 20 10 DGCDMO CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(O)c1 ZINC000840956100 630385470 /nfs/dbraw/zinc/38/54/70/630385470.db2.gz AWWBLKDFEPLMET-AEFFLSMTSA-N 1 1 313.397 3.099 20 10 DGCDMO CC[N@@H+](Cc1occc1C)Cc1cc(OC)c(OC)cc1O ZINC000840969663 630388272 /nfs/dbraw/zinc/38/82/72/630388272.db2.gz HMRPVAVYTWPUGN-UHFFFAOYSA-N 1 1 305.374 3.333 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2ccccc2C2CC2)cc1 ZINC000841044661 630400944 /nfs/dbraw/zinc/40/09/44/630400944.db2.gz DZOWQIYQHKNBHW-HXUWFJFHSA-N 1 1 309.457 3.420 20 10 DGCDMO Cc1cc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)s1 ZINC000841044919 630401235 /nfs/dbraw/zinc/40/12/35/630401235.db2.gz FYBDQAIPSWXVDM-QGZVFWFLSA-N 1 1 303.475 3.221 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2coc3ccccc23)cc1 ZINC000841045681 630401910 /nfs/dbraw/zinc/40/19/10/630401910.db2.gz ODXFQXLGTRRPHH-SFHVURJKSA-N 1 1 309.413 3.288 20 10 DGCDMO Oc1c(Cl)cccc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000841101303 630408155 /nfs/dbraw/zinc/40/81/55/630408155.db2.gz RVAOCDMKFWXXBU-INIZCTEOSA-N 1 1 302.805 3.192 20 10 DGCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000841301408 630425567 /nfs/dbraw/zinc/42/55/67/630425567.db2.gz NYKIPSDVMQPWHV-KSSFIOAISA-N 1 1 324.428 3.226 20 10 DGCDMO C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(Cl)cc1O ZINC000841745352 630462029 /nfs/dbraw/zinc/46/20/29/630462029.db2.gz YFOBSPMWRZPJGV-TZMCWYRMSA-N 1 1 313.825 3.282 20 10 DGCDMO C[C@H]([NH2+]CCCOC1CCOCC1)c1ccc(Cl)cc1O ZINC000841752281 630462367 /nfs/dbraw/zinc/46/23/67/630462367.db2.gz SBFKUGSHZRHVNY-LBPRGKRZSA-N 1 1 313.825 3.282 20 10 DGCDMO C[C@H]1[C@@H](C)[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000841889349 630473757 /nfs/dbraw/zinc/47/37/57/630473757.db2.gz BZEUDNMZZFGTIV-RBSFLKMASA-N 1 1 306.425 3.139 20 10 DGCDMO CCOc1cccc(C[N@H+](C)C(C)(C)CN2CCCC2)c1O ZINC000841893072 630473998 /nfs/dbraw/zinc/47/39/98/630473998.db2.gz DMYZPSAOWILZSP-UHFFFAOYSA-N 1 1 306.450 3.097 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)C(C)(C)CN2CCCC2)c1O ZINC000841893072 630474000 /nfs/dbraw/zinc/47/40/00/630474000.db2.gz DMYZPSAOWILZSP-UHFFFAOYSA-N 1 1 306.450 3.097 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCSC[C@H]2C2CCC2)cc1OC ZINC000841893044 630474223 /nfs/dbraw/zinc/47/42/23/630474223.db2.gz CQJQNLJHGREZHM-AWEZNQCLSA-N 1 1 323.458 3.127 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c(O)cc1C ZINC000842613590 630553750 /nfs/dbraw/zinc/55/37/50/630553750.db2.gz CXLUGZLLEHOIGS-ZBFHGGJFSA-N 1 1 305.418 3.100 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000842620160 630554379 /nfs/dbraw/zinc/55/43/79/630554379.db2.gz ZNRNMBXZFRIOEO-YJBOKZPZSA-N 1 1 312.413 3.331 20 10 DGCDMO C[N@@H+](Cc1cc2c(cc1O)CCC2)C[C@@]1(O)CCc2ccccc21 ZINC000842623275 630555071 /nfs/dbraw/zinc/55/50/71/630555071.db2.gz LHSGKHBVLRDHGC-NRFANRHFSA-N 1 1 323.436 3.147 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000842626148 630555127 /nfs/dbraw/zinc/55/51/27/630555127.db2.gz UQLBTHVYAPCBPQ-WBMJQRKESA-N 1 1 305.418 3.006 20 10 DGCDMO C[N@@H+](Cc1cc2c(cc1O)CCC2)C[C@](C)(O)c1ccccc1 ZINC000842628450 630555308 /nfs/dbraw/zinc/55/53/08/630555308.db2.gz VPAISBUEMQYYPL-FQEVSTJZSA-N 1 1 311.425 3.220 20 10 DGCDMO CN1C[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)[C@H](c2ccccc2)C1 ZINC000842923971 630593494 /nfs/dbraw/zinc/59/34/94/630593494.db2.gz MLUQKAFRHLGWEM-CEXWTWQISA-N 1 1 322.452 3.315 20 10 DGCDMO CN1C[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)[C@H](c2ccccc2)C1 ZINC000842923972 630593538 /nfs/dbraw/zinc/59/35/38/630593538.db2.gz MLUQKAFRHLGWEM-QYZOEREBSA-N 1 1 322.452 3.315 20 10 DGCDMO Oc1ccc(Cl)c(F)c1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000843048027 630608398 /nfs/dbraw/zinc/60/83/98/630608398.db2.gz JOJXUOCTUHQDSY-KGLIPLIRSA-N 1 1 312.816 3.291 20 10 DGCDMO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1CN ZINC000843052245 630608830 /nfs/dbraw/zinc/60/88/30/630608830.db2.gz QOWSZDOVTZQUCQ-VQIMIIECSA-N 1 1 301.478 3.236 20 10 DGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1CN ZINC000843052245 630608832 /nfs/dbraw/zinc/60/88/32/630608832.db2.gz QOWSZDOVTZQUCQ-VQIMIIECSA-N 1 1 301.478 3.236 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843124631 630616334 /nfs/dbraw/zinc/61/63/34/630616334.db2.gz DQDSIGPUJYVFNU-VXGBXAGGSA-N 1 1 312.816 3.006 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1F ZINC000843418216 630654939 /nfs/dbraw/zinc/65/49/39/630654939.db2.gz ZGDBJQBKPXGKMV-DOTOQJQBSA-N 1 1 306.425 3.283 20 10 DGCDMO CCn1cc(C[N@@H+](Cc2cc(OC)ccc2O)C(C)C)cn1 ZINC000846056251 631208767 /nfs/dbraw/zinc/20/87/67/631208767.db2.gz RPYNPCRJTMUAPD-UHFFFAOYSA-N 1 1 303.406 3.028 20 10 DGCDMO COc1cccc([C@H](C)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1O ZINC000846140365 631211708 /nfs/dbraw/zinc/21/17/08/631211708.db2.gz PKGMKHAJJDLPHR-JYJNAYRXSA-N 1 1 320.477 3.419 20 10 DGCDMO COc1cccc([C@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)c1O ZINC000846151697 631212253 /nfs/dbraw/zinc/21/22/53/631212253.db2.gz DWNKRUIXENPILP-IINYFYTJSA-N 1 1 323.339 3.063 20 10 DGCDMO COc1cccc([C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)c1O ZINC000846150550 631212411 /nfs/dbraw/zinc/21/24/11/631212411.db2.gz RHOMSUINENZHIZ-CQSZACIVSA-N 1 1 318.461 3.458 20 10 DGCDMO COc1cccc([C@@H](C)NC2CC[NH+](C3CCCC3)CC2)c1O ZINC000846150550 631212413 /nfs/dbraw/zinc/21/24/13/631212413.db2.gz RHOMSUINENZHIZ-CQSZACIVSA-N 1 1 318.461 3.458 20 10 DGCDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)[nH]1 ZINC000846167013 631213178 /nfs/dbraw/zinc/21/31/78/631213178.db2.gz QRPGHNGCGDBEKQ-TUAOUCFPSA-N 1 1 318.421 3.444 20 10 DGCDMO CC[N@@H+](CCCNC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000846309457 631225586 /nfs/dbraw/zinc/22/55/86/631225586.db2.gz FDSKUGBILKEZAJ-UHFFFAOYSA-N 1 1 318.465 3.435 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H](OC3CCC3)C2)c(O)cc1C ZINC000848497626 631670361 /nfs/dbraw/zinc/67/03/61/631670361.db2.gz NVLPFCAKFNUBIO-INIZCTEOSA-N 1 1 305.418 3.243 20 10 DGCDMO CCOC(=O)CC[N@@H+](Cc1c(O)ccc2ccncc21)C(C)C ZINC000848501215 631670995 /nfs/dbraw/zinc/67/09/95/631670995.db2.gz GTFTZKAMDOFUEL-UHFFFAOYSA-N 1 1 316.401 3.104 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1CC1CCCC1)[C@H](O)CO2 ZINC000848505344 631671277 /nfs/dbraw/zinc/67/12/77/631671277.db2.gz IWISAMYOHHWDMJ-MAUKXSAKSA-N 1 1 317.429 3.363 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC2(CCCCC2)O1 ZINC000848505675 631671916 /nfs/dbraw/zinc/67/19/16/631671916.db2.gz LLFPQSGJPDHDJK-CYBMUJFWSA-N 1 1 319.401 3.045 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c1O ZINC000848882619 631769081 /nfs/dbraw/zinc/76/90/81/631769081.db2.gz VZLCDWQNYNHVLU-AWEZNQCLSA-N 1 1 317.351 3.498 20 10 DGCDMO CCc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1O ZINC000848888031 631772923 /nfs/dbraw/zinc/77/29/23/631772923.db2.gz KVXWYIFBMRQBDQ-MSOLQXFVSA-N 1 1 302.462 3.402 20 10 DGCDMO CCc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1O ZINC000848888031 631772929 /nfs/dbraw/zinc/77/29/29/631772929.db2.gz KVXWYIFBMRQBDQ-MSOLQXFVSA-N 1 1 302.462 3.402 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1O ZINC000848888031 631772930 /nfs/dbraw/zinc/77/29/30/631772930.db2.gz KVXWYIFBMRQBDQ-MSOLQXFVSA-N 1 1 302.462 3.402 20 10 DGCDMO CCc1cccc(C[N@@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)c1O ZINC000848887873 631773641 /nfs/dbraw/zinc/77/36/41/631773641.db2.gz GXJQCMCYTUKYBP-ROUUACIJSA-N 1 1 318.461 3.176 20 10 DGCDMO CCc1cccc(C[N@H+]2CCSC3(CCOCC3)C2)c1O ZINC000848903539 631781035 /nfs/dbraw/zinc/78/10/35/631781035.db2.gz VWDRBTXYCLLJHC-UHFFFAOYSA-N 1 1 307.459 3.053 20 10 DGCDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(CC)c1O ZINC000848911670 631784311 /nfs/dbraw/zinc/78/43/11/631784311.db2.gz XRDNYAAPNKZKNF-INIZCTEOSA-N 1 1 320.433 3.055 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1O ZINC000848916986 631786885 /nfs/dbraw/zinc/78/68/85/631786885.db2.gz YNFZJHBQBRTOGV-CQSZACIVSA-N 1 1 318.461 3.068 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1O ZINC000848925073 631789421 /nfs/dbraw/zinc/78/94/21/631789421.db2.gz MHOAIKPGULKCAE-MRXNPFEDSA-N 1 1 305.418 3.324 20 10 DGCDMO COc1cccc(C[N@H+](CC(=O)OC(C)(C)C)C2CCC2)c1O ZINC000848927722 631790483 /nfs/dbraw/zinc/79/04/83/631790483.db2.gz LYJBJFIPGFDRFV-UHFFFAOYSA-N 1 1 321.417 3.097 20 10 DGCDMO COc1cccc(C[N@@H+](CC(=O)OC(C)(C)C)C2CCC2)c1O ZINC000848927722 631790487 /nfs/dbraw/zinc/79/04/87/631790487.db2.gz LYJBJFIPGFDRFV-UHFFFAOYSA-N 1 1 321.417 3.097 20 10 DGCDMO COc1ccnc(C[NH2+]Cc2c(O)cc(C)cc2Cl)c1F ZINC000850381224 632134085 /nfs/dbraw/zinc/13/40/85/632134085.db2.gz XUFYNUQDJZQGCO-UHFFFAOYSA-N 1 1 310.756 3.187 20 10 DGCDMO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850412445 632144176 /nfs/dbraw/zinc/14/41/76/632144176.db2.gz XYYUFJZNHHOSAB-BDJLRTHQSA-N 1 1 323.795 3.439 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(F)cc1O ZINC000850500666 632172565 /nfs/dbraw/zinc/17/25/65/632172565.db2.gz GEFDUHNTRAYYPY-HGYXMXBYSA-N 1 1 313.438 3.262 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(F)cc1O ZINC000850500668 632172716 /nfs/dbraw/zinc/17/27/16/632172716.db2.gz GEFDUHNTRAYYPY-HWPSYORYSA-N 1 1 313.438 3.262 20 10 DGCDMO C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1cc(F)cc(F)c1O ZINC000850533013 632183463 /nfs/dbraw/zinc/18/34/63/632183463.db2.gz QXJBZCQWGQUDTO-RGZBUGHASA-N 1 1 319.298 3.135 20 10 DGCDMO COc1ccnc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)c1F ZINC000850536975 632185680 /nfs/dbraw/zinc/18/56/80/632185680.db2.gz LLHPGUNGOKSANB-SECBINFHSA-N 1 1 310.756 3.439 20 10 DGCDMO COc1ccnc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1F ZINC000850536110 632186127 /nfs/dbraw/zinc/18/61/27/632186127.db2.gz CKQIGMHCAAXDRY-GFCCVEGCSA-N 1 1 303.381 3.146 20 10 DGCDMO COc1cccc([C@H](C)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1O ZINC000850538664 632187350 /nfs/dbraw/zinc/18/73/50/632187350.db2.gz JQIFLJISWVTSLR-GJZGRUSLSA-N 1 1 318.461 3.458 20 10 DGCDMO COc1cccc([C@H](C)N[C@H]2CC[N@H+](C3CCCCC3)C2)c1O ZINC000850538664 632187355 /nfs/dbraw/zinc/18/73/55/632187355.db2.gz JQIFLJISWVTSLR-GJZGRUSLSA-N 1 1 318.461 3.458 20 10 DGCDMO C[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1ccc(F)cc1O ZINC000850573976 632199460 /nfs/dbraw/zinc/19/94/60/632199460.db2.gz UNJDZMIAHDDYPV-GFCCVEGCSA-N 1 1 308.397 3.008 20 10 DGCDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109772383 632316441 /nfs/dbraw/zinc/31/64/41/632316441.db2.gz ZMUSEVIFGKCLHB-OAHLLOKOSA-N 1 1 312.413 3.044 20 10 DGCDMO COc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)sn1 ZINC000851732474 632478273 /nfs/dbraw/zinc/47/82/73/632478273.db2.gz RHVPNGNOMVKWMO-UHFFFAOYSA-N 1 1 317.458 3.382 20 10 DGCDMO COc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)sn1 ZINC000851732474 632478276 /nfs/dbraw/zinc/47/82/76/632478276.db2.gz RHVPNGNOMVKWMO-UHFFFAOYSA-N 1 1 317.458 3.382 20 10 DGCDMO Cc1nc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C)o1 ZINC000851841149 632506990 /nfs/dbraw/zinc/50/69/90/632506990.db2.gz NKRVWBNBKBJCAR-INIZCTEOSA-N 1 1 316.401 3.178 20 10 DGCDMO Cc1nc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C)o1 ZINC000851841149 632506994 /nfs/dbraw/zinc/50/69/94/632506994.db2.gz NKRVWBNBKBJCAR-INIZCTEOSA-N 1 1 316.401 3.178 20 10 DGCDMO CC1(C)OC[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)O1 ZINC000851841381 632507076 /nfs/dbraw/zinc/50/70/76/632507076.db2.gz PZQRCBLGCLBNCI-MRXNPFEDSA-N 1 1 317.385 3.139 20 10 DGCDMO Cc1cc(C[N@@H+](C)[C@H](CO)Cc2ccccc2)ccc1N(C)C ZINC000852287853 632581360 /nfs/dbraw/zinc/58/13/60/632581360.db2.gz IAMNQQFRPOFQTA-IBGZPJMESA-N 1 1 312.457 3.096 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000852499930 632611656 /nfs/dbraw/zinc/61/16/56/632611656.db2.gz CIKJBHVTVCKKCZ-YRWFTTLQSA-N 1 1 316.489 3.434 20 10 DGCDMO OC[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000184789148 660186476 /nfs/dbraw/zinc/18/64/76/660186476.db2.gz CETKAZHHNRVLDK-SFHVURJKSA-N 1 1 315.388 3.304 20 10 DGCDMO Cc1ccccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000072953296 660232044 /nfs/dbraw/zinc/23/20/44/660232044.db2.gz LSWRUNCOXQRTIX-UHFFFAOYSA-N 1 1 310.441 3.464 20 10 DGCDMO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000180141093 659953727 /nfs/dbraw/zinc/95/37/27/659953727.db2.gz KZSXVLFVVMBIIR-SFHVURJKSA-N 1 1 301.361 3.279 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)[C@H](C)C1 ZINC000701177181 660659114 /nfs/dbraw/zinc/65/91/14/660659114.db2.gz WVAPNVQTXUFZAE-ZWNOBZJWSA-N 1 1 314.223 3.154 20 10 DGCDMO Cc1cnc(C[NH2+]Cc2c(O)cccc2Br)s1 ZINC000706821728 660873920 /nfs/dbraw/zinc/87/39/20/660873920.db2.gz NYDYJGWCENSQRC-UHFFFAOYSA-N 1 1 313.220 3.209 20 10 DGCDMO CCO[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707145814 660887157 /nfs/dbraw/zinc/88/71/57/660887157.db2.gz HPNQETCYJQMENT-LLVKDONJSA-N 1 1 314.223 3.156 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CCCO1 ZINC000707145854 660888195 /nfs/dbraw/zinc/88/81/95/660888195.db2.gz JDWOBVOGPCFNKE-LLVKDONJSA-N 1 1 314.223 3.156 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)[C@@H](C)C1 ZINC000707145878 660888275 /nfs/dbraw/zinc/88/82/75/660888275.db2.gz JXXXQSSRYVBIEZ-WDEREUQCSA-N 1 1 314.223 3.154 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CCCO1 ZINC000707145855 660888378 /nfs/dbraw/zinc/88/83/78/660888378.db2.gz JDWOBVOGPCFNKE-NSHDSACASA-N 1 1 314.223 3.156 20 10 DGCDMO COC[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707147016 660893694 /nfs/dbraw/zinc/89/36/94/660893694.db2.gz RUYURMBDRVLICL-NSHDSACASA-N 1 1 314.223 3.013 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)Cc2ccc(F)cc2C)cc1OC ZINC000792708017 660980766 /nfs/dbraw/zinc/98/07/66/660980766.db2.gz RJLVMYNCWIDTEU-UHFFFAOYSA-N 1 1 319.376 3.489 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCCO1 ZINC000792805522 660985999 /nfs/dbraw/zinc/98/59/99/660985999.db2.gz IAMSZBZKXOCHQC-GFCCVEGCSA-N 1 1 316.367 3.382 20 10 DGCDMO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)ncn1 ZINC000793031814 661001293 /nfs/dbraw/zinc/00/12/93/661001293.db2.gz OCHMYYAONUTBIU-UHFFFAOYSA-N 1 1 324.350 3.160 20 10 DGCDMO COc1c(O)c(C[NH2+]CC2C(C)(C)C2(C)C)ccc1[N+](=O)[O-] ZINC000793371146 661027888 /nfs/dbraw/zinc/02/78/88/661027888.db2.gz CMNYBSPPIGXCCV-UHFFFAOYSA-N 1 1 308.378 3.081 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc3cn[nH]c3c2)c1 ZINC000793573604 661046976 /nfs/dbraw/zinc/04/69/76/661046976.db2.gz RSZBLRLJUGLPSM-LBPRGKRZSA-N 1 1 311.385 3.170 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000793612064 661049824 /nfs/dbraw/zinc/04/98/24/661049824.db2.gz IZIKSCIWSROINQ-KGLIPLIRSA-N 1 1 316.228 3.417 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)c1 ZINC000793619018 661050609 /nfs/dbraw/zinc/05/06/09/661050609.db2.gz AUVNTMFCYRUBRS-IBGZPJMESA-N 1 1 310.441 3.059 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000795666929 661166283 /nfs/dbraw/zinc/16/62/83/661166283.db2.gz JRQBOHQKBDZWPM-KRWDZBQOSA-N 1 1 308.385 3.391 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000795666933 661166342 /nfs/dbraw/zinc/16/63/42/661166342.db2.gz JRQBOHQKBDZWPM-QGZVFWFLSA-N 1 1 308.385 3.391 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1O ZINC000795671428 661166669 /nfs/dbraw/zinc/16/66/69/661166669.db2.gz VKKNRYLPNJUKSK-OAHLLOKOSA-N 1 1 301.390 3.160 20 10 DGCDMO COc1cc(C[N@H+]2CCOc3ccc(C)cc3C2)c(O)cc1C ZINC000795710852 661169032 /nfs/dbraw/zinc/16/90/32/661169032.db2.gz ODLXCSRPXUWVMV-UHFFFAOYSA-N 1 1 313.397 3.412 20 10 DGCDMO COC[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000307778921 655671457 /nfs/dbraw/zinc/67/14/57/655671457.db2.gz OUJXWSSVBLNNJJ-LBPRGKRZSA-N 1 1 314.223 3.156 20 10 DGCDMO COC[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000307778921 655671458 /nfs/dbraw/zinc/67/14/58/655671458.db2.gz OUJXWSSVBLNNJJ-LBPRGKRZSA-N 1 1 314.223 3.156 20 10 DGCDMO OC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000293906648 656055773 /nfs/dbraw/zinc/05/57/73/656055773.db2.gz FTOQMUBUZWASIP-SFHVURJKSA-N 1 1 302.462 3.271 20 10 DGCDMO C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1O ZINC000184912601 656122208 /nfs/dbraw/zinc/12/22/08/656122208.db2.gz POFYIRWCXUABBK-MCIONIFRSA-N 1 1 324.440 3.070 20 10 DGCDMO CO[C@@](C)(C[NH2+]Cc1cccc(Br)c1O)C1CC1 ZINC000311045852 656167290 /nfs/dbraw/zinc/16/72/90/656167290.db2.gz PUNIBYGBDQCNPP-AWEZNQCLSA-N 1 1 314.223 3.059 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000123776982 656183166 /nfs/dbraw/zinc/18/31/66/656183166.db2.gz FUESMJNXINTTJV-ZDUSSCGKSA-N 1 1 319.445 3.396 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3C[C@H](C)OC[C@@H]3C)c2c1 ZINC000026666621 656253722 /nfs/dbraw/zinc/25/37/22/656253722.db2.gz BRBIVJKQPFIOQF-STQMWFEESA-N 1 1 301.386 3.163 20 10 DGCDMO COC[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000093337822 656309247 /nfs/dbraw/zinc/30/92/47/656309247.db2.gz VIHSOTJCGBHHMO-NSHDSACASA-N 1 1 314.223 3.013 20 10 DGCDMO COC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000093337822 656309248 /nfs/dbraw/zinc/30/92/48/656309248.db2.gz VIHSOTJCGBHHMO-NSHDSACASA-N 1 1 314.223 3.013 20 10 DGCDMO C[C@@H]1SCC[N@H+](Cc2cccc(Br)c2O)[C@H]1C ZINC000093501014 656356404 /nfs/dbraw/zinc/35/64/04/656356404.db2.gz MBRMPMYUBIWGCC-UWVGGRQHSA-N 1 1 316.264 3.481 20 10 DGCDMO C[C@@H]1SCC[N@@H+](Cc2cccc(Br)c2O)[C@H]1C ZINC000093501014 656356408 /nfs/dbraw/zinc/35/64/08/656356408.db2.gz MBRMPMYUBIWGCC-UWVGGRQHSA-N 1 1 316.264 3.481 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093604548 656363779 /nfs/dbraw/zinc/36/37/79/656363779.db2.gz CCCKEXYUPYQXJN-LJQANCHMSA-N 1 1 315.505 3.451 20 10 DGCDMO CCC(CC)[C@@H](O)C[NH2+]Cc1cccc(Br)c1O ZINC000225815640 656792504 /nfs/dbraw/zinc/79/25/04/656792504.db2.gz VMOUSRAFFWSITC-ZDUSSCGKSA-N 1 1 316.239 3.041 20 10 DGCDMO CCC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)Cc1ccccc1O ZINC000303129823 657517390 /nfs/dbraw/zinc/51/73/90/657517390.db2.gz BSGGWCYJNCWPKT-MRXNPFEDSA-N 1 1 320.477 3.497 20 10 DGCDMO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667788 657606391 /nfs/dbraw/zinc/60/63/91/657606391.db2.gz NYMJNZBFCOPNNC-OLZOCXBDSA-N 1 1 315.244 3.415 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H]3C[C@H](C)O)c2c1 ZINC000305274154 657699326 /nfs/dbraw/zinc/69/93/26/657699326.db2.gz ZRMUCZXKQQXOJR-DZGCQCFKSA-N 1 1 315.413 3.289 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c1O ZINC000323673757 658783675 /nfs/dbraw/zinc/78/36/75/658783675.db2.gz XHUVWLFQJKJCMI-BLLLJJGKSA-N 1 1 323.408 3.249 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c1O ZINC000323673757 658783678 /nfs/dbraw/zinc/78/36/78/658783678.db2.gz XHUVWLFQJKJCMI-BLLLJJGKSA-N 1 1 323.408 3.249 20 10 DGCDMO C[C@@H]1CCC[C@](CNCc2ccc3c(c2)CCO3)([NH+](C)C)C1 ZINC000237527918 658785520 /nfs/dbraw/zinc/78/55/20/658785520.db2.gz MZGNJJGDOXKLQM-BEFAXECRSA-N 1 1 302.462 3.222 20 10 DGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C)cc(OC)c2O)C12CCC2 ZINC000164512448 658936664 /nfs/dbraw/zinc/93/66/64/658936664.db2.gz CQSSEINRYDDPJN-IAGOWNOFSA-N 1 1 319.445 3.489 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2cccc(N(C)C)c2)c1O ZINC000164533455 658937199 /nfs/dbraw/zinc/93/71/99/658937199.db2.gz ZOUDKLBEOZAEAX-UHFFFAOYSA-N 1 1 314.429 3.407 20 10 DGCDMO CC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](C)C(C)C ZINC000170929065 659248770 /nfs/dbraw/zinc/24/87/70/659248770.db2.gz JCCNVLSRSQCLGF-INIZCTEOSA-N 1 1 319.493 3.077 20 10 DGCDMO CCc1cnc(C[NH2+]Cc2ccc3c(c2)CCCN3C)s1 ZINC000230142444 659312160 /nfs/dbraw/zinc/31/21/60/659312160.db2.gz CTCNJVLTXZHBHO-UHFFFAOYSA-N 1 1 301.459 3.378 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](N4CC=CC4)C3)c2c1 ZINC000172932104 659364420 /nfs/dbraw/zinc/36/44/20/659364420.db2.gz CWBYJFDMEBYNOI-MRXNPFEDSA-N 1 1 324.424 3.000 20 10 DGCDMO CC(C)C[C@H]1CC(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC000174070332 659412949 /nfs/dbraw/zinc/41/29/49/659412949.db2.gz WXUUOLSNEWCWGX-KRWDZBQOSA-N 1 1 317.477 3.037 20 10 DGCDMO CC(C)C[C@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC000174070332 659412952 /nfs/dbraw/zinc/41/29/52/659412952.db2.gz WXUUOLSNEWCWGX-KRWDZBQOSA-N 1 1 317.477 3.037 20 10 DGCDMO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000179556108 659933235 /nfs/dbraw/zinc/93/32/35/659933235.db2.gz AZRGOTDYLCYPEO-QGZVFWFLSA-N 1 1 311.381 3.100 20 10 DGCDMO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179556108 659933236 /nfs/dbraw/zinc/93/32/36/659933236.db2.gz AZRGOTDYLCYPEO-QGZVFWFLSA-N 1 1 311.381 3.100 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)CCOc2ccc(F)cc2)c1 ZINC000179619816 659935837 /nfs/dbraw/zinc/93/58/37/659935837.db2.gz NGHRJZIDPILQMK-UHFFFAOYSA-N 1 1 305.349 3.051 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000180547082 659965149 /nfs/dbraw/zinc/96/51/49/659965149.db2.gz JXBWTBFBYIUASU-UHFFFAOYSA-N 1 1 305.418 3.326 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)COc1ccccc1 ZINC000068973689 659970889 /nfs/dbraw/zinc/97/08/89/659970889.db2.gz BGKYKXYVSIHNFQ-KRWDZBQOSA-N 1 1 315.413 3.044 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nc(C3CC3)no2)c1 ZINC000182345824 660046578 /nfs/dbraw/zinc/04/65/78/660046578.db2.gz ORZIKWFKTQTREK-VHSXEESVSA-N 1 1 303.362 3.073 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nc(C3CC3)no2)c1 ZINC000182345807 660046591 /nfs/dbraw/zinc/04/65/91/660046591.db2.gz ORZIKWFKTQTREK-ZJUUUORDSA-N 1 1 303.362 3.073 20 10 DGCDMO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cccc(OCC)c1O ZINC000184349739 660164523 /nfs/dbraw/zinc/16/45/23/660164523.db2.gz LDIWPJSDCLOPDH-UHFFFAOYSA-N 1 1 323.433 3.345 20 10 DGCDMO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc(OCC)c1O ZINC000184349739 660164524 /nfs/dbraw/zinc/16/45/24/660164524.db2.gz LDIWPJSDCLOPDH-UHFFFAOYSA-N 1 1 323.433 3.345 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)cc1 ZINC000932136392 661541177 /nfs/dbraw/zinc/54/11/77/661541177.db2.gz MNYKJWCSQBWGPT-QGZVFWFLSA-N 1 1 312.461 3.256 20 10 DGCDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2)nc1 ZINC000934342953 661699521 /nfs/dbraw/zinc/69/95/21/661699521.db2.gz FBOLLIFLIZCVDB-LJQANCHMSA-N 1 1 311.429 3.493 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000158006070 661869667 /nfs/dbraw/zinc/86/96/67/661869667.db2.gz OBEOGCUBYCVCNB-APWZRJJASA-N 1 1 314.473 3.458 20 10 DGCDMO Cc1cc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000158006070 661869669 /nfs/dbraw/zinc/86/96/69/661869669.db2.gz OBEOGCUBYCVCNB-APWZRJJASA-N 1 1 314.473 3.458 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1C ZINC000158006070 661869672 /nfs/dbraw/zinc/86/96/72/661869672.db2.gz OBEOGCUBYCVCNB-APWZRJJASA-N 1 1 314.473 3.458 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1C ZINC000158006070 661869674 /nfs/dbraw/zinc/86/96/74/661869674.db2.gz OBEOGCUBYCVCNB-APWZRJJASA-N 1 1 314.473 3.458 20 10 DGCDMO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000189991818 662000658 /nfs/dbraw/zinc/00/06/58/662000658.db2.gz JJVJCXZFGHKROJ-LJQANCHMSA-N 1 1 316.445 3.204 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)[C@@H](c2ccccc2)CO1 ZINC000246048061 662246394 /nfs/dbraw/zinc/24/63/94/662246394.db2.gz XSUDRRDKMNUFOU-CXAGYDPISA-N 1 1 301.361 3.493 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)[C@@H](c2ccccc2)CO1 ZINC000246048061 662246398 /nfs/dbraw/zinc/24/63/98/662246398.db2.gz XSUDRRDKMNUFOU-CXAGYDPISA-N 1 1 301.361 3.493 20 10 DGCDMO CCOc1cccc(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c1O ZINC000092218875 662328683 /nfs/dbraw/zinc/32/86/83/662328683.db2.gz MZBCIEZUMZNVNV-QGZVFWFLSA-N 1 1 318.461 3.241 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2CN2CCCCC2)c1O ZINC000092218875 662328684 /nfs/dbraw/zinc/32/86/84/662328684.db2.gz MZBCIEZUMZNVNV-QGZVFWFLSA-N 1 1 318.461 3.241 20 10 DGCDMO Fc1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1N1CCOCC1 ZINC000092485615 662332120 /nfs/dbraw/zinc/33/21/20/662332120.db2.gz DLDFXIVSLVDDEZ-WMZOPIPTSA-N 1 1 318.436 3.427 20 10 DGCDMO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1O ZINC000248518046 662351421 /nfs/dbraw/zinc/35/14/21/662351421.db2.gz POFYIRWCXUABBK-MGPQQGTHSA-N 1 1 324.440 3.070 20 10 DGCDMO CCc1c[nH]c2nc[nH+]c(N[C@@H](C)c3cc(OC)ccc3O)c12 ZINC000892331637 685303320 /nfs/dbraw/zinc/30/33/20/685303320.db2.gz XZVUZAGUQUOBSQ-JTQLQIEISA-N 1 1 312.373 3.408 20 10 DGCDMO CC[N@H+](Cc1cc(Br)cc(C)c1O)C[C@@H](C)OC ZINC000383337928 685166180 /nfs/dbraw/zinc/16/61/80/685166180.db2.gz HAUXVBMXDKEVEG-LLVKDONJSA-N 1 1 316.239 3.320 20 10 DGCDMO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000383936769 685169826 /nfs/dbraw/zinc/16/98/26/685169826.db2.gz CYFVMAOFPWUYRU-HKUYNNGSSA-N 1 1 322.452 3.491 20 10 DGCDMO C[C@@H]1[C@H](NC(=O)Nc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000393845037 685219061 /nfs/dbraw/zinc/21/90/61/685219061.db2.gz CLTXCVYNUUYLAO-RDTXWAMCSA-N 1 1 324.428 3.053 20 10 DGCDMO Oc1ccc(C[NH+](Cc2ccccn2)Cc2ccccn2)c(O)c1 ZINC000139555044 1177252673 /nfs/dbraw/zinc/25/26/73/1177252673.db2.gz UBRCZZBXNOOOEU-UHFFFAOYSA-N 1 1 321.380 3.090 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC001331493448 1178226361 /nfs/dbraw/zinc/22/63/61/1178226361.db2.gz UAXNIVGTVWJPAX-CYBMUJFWSA-N 1 1 311.410 3.386 20 10 DGCDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001333782303 1178672982 /nfs/dbraw/zinc/67/29/82/1178672982.db2.gz UYXZXJKUEPZFMV-GOSISDBHSA-N 1 1 302.462 3.270 20 10 DGCDMO CCCN(Cc1ccccc1O)C(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001335445625 1178911123 /nfs/dbraw/zinc/91/11/23/1178911123.db2.gz QBDIBUBNVNTFIS-UHFFFAOYSA-N 1 1 313.401 3.270 20 10 DGCDMO Cn1ccc([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001335505668 1178923239 /nfs/dbraw/zinc/92/32/39/1178923239.db2.gz DQRIFHBHURGYLG-SFHVURJKSA-N 1 1 324.472 3.400 20 10 DGCDMO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC001343973480 1179359329 /nfs/dbraw/zinc/35/93/29/1179359329.db2.gz VVGMSMQBTKKLPD-NSHDSACASA-N 1 1 315.772 3.102 20 10 DGCDMO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC001343973480 1179359336 /nfs/dbraw/zinc/35/93/36/1179359336.db2.gz VVGMSMQBTKKLPD-NSHDSACASA-N 1 1 315.772 3.102 20 10 DGCDMO C[C@]1(C2CC2)C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001350592650 1180090803 /nfs/dbraw/zinc/09/08/03/1180090803.db2.gz BBMJQWWLBVHSKH-LJQANCHMSA-N 1 1 300.446 3.288 20 10 DGCDMO CCCN(CCC)c1ccc(C[NH2+][C@H](C)c2nncn2C)cc1 ZINC001200204428 1180449177 /nfs/dbraw/zinc/44/91/77/1180449177.db2.gz RLGVEKDUSWHTSP-OAHLLOKOSA-N 1 1 315.465 3.292 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCO[C@@](C)(C3CC3)C2)cc1 ZINC001474626064 1181595259 /nfs/dbraw/zinc/59/52/59/1181595259.db2.gz RYFCNWOIRKCHEI-VZSQWMKGSA-N 1 1 300.446 3.267 20 10 DGCDMO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)[C@H]1C ZINC001461002477 1182753397 /nfs/dbraw/zinc/75/33/97/1182753397.db2.gz WPPMLXIYQUWLKZ-UWVAXJGDSA-N 1 1 315.505 3.353 20 10 DGCDMO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1c(O)cc(C)cc1Cl ZINC001462132658 1182913311 /nfs/dbraw/zinc/91/33/11/1182913311.db2.gz IAULTVGQXBZCHS-LBPRGKRZSA-N 1 1 311.809 3.272 20 10 DGCDMO COC(=O)c1c(C[N@@H+](C)CC2CCC2)c2cc(F)ccc2n1C ZINC001462635508 1182978548 /nfs/dbraw/zinc/97/85/48/1182978548.db2.gz LMDVPKBHJNFEKC-UHFFFAOYSA-N 1 1 318.392 3.336 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2C[C@]2(C)Br)cc1 ZINC001474307432 1183902551 /nfs/dbraw/zinc/90/25/51/1183902551.db2.gz LXNVTJNSUGXOEJ-HIFRSBDPSA-N 1 1 311.267 3.358 20 10 DGCDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001474331044 1183904977 /nfs/dbraw/zinc/90/49/77/1183904977.db2.gz NOBHZDLSCLCYSF-OAHLLOKOSA-N 1 1 305.809 3.425 20 10 DGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(OC)c1F ZINC001474408180 1183916980 /nfs/dbraw/zinc/91/69/80/1183916980.db2.gz CAYYRGUWSGRJEC-UHFFFAOYSA-N 1 1 317.408 3.317 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(OC)c1F ZINC001474408180 1183916984 /nfs/dbraw/zinc/91/69/84/1183916984.db2.gz CAYYRGUWSGRJEC-UHFFFAOYSA-N 1 1 317.408 3.317 20 10 DGCDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001474504822 1183932896 /nfs/dbraw/zinc/93/28/96/1183932896.db2.gz KZSXNPYTFSJEGL-CQSZACIVSA-N 1 1 307.344 3.347 20 10 DGCDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001474504822 1183932897 /nfs/dbraw/zinc/93/28/97/1183932897.db2.gz KZSXNPYTFSJEGL-CQSZACIVSA-N 1 1 307.344 3.347 20 10 DGCDMO CC[C@@H](C)[NH+]1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC001474524731 1183934614 /nfs/dbraw/zinc/93/46/14/1183934614.db2.gz AMXSMRQJHSLGPD-LLVKDONJSA-N 1 1 300.805 3.101 20 10 DGCDMO COC(=O)C[C@@H]1C[N@@H+](Cc2cc(C(C)C)ccc2O)C[C@H]1C ZINC001474710471 1183965336 /nfs/dbraw/zinc/96/53/36/1183965336.db2.gz FNNXNZLKYOOUQA-UKRRQHHQSA-N 1 1 305.418 3.147 20 10 DGCDMO CN(C)c1ccc(C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)cc1F ZINC001560298335 1189307557 /nfs/dbraw/zinc/30/75/57/1189307557.db2.gz BWMYTUKYHWTLET-UHFFFAOYSA-N 1 1 315.348 3.028 20 10 DGCDMO CCOCc1cc(CN[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1OC ZINC001560358631 1189318342 /nfs/dbraw/zinc/31/83/42/1189318342.db2.gz QWGAGNAZUNBMCN-MSOLQXFVSA-N 1 1 320.477 3.194 20 10 DGCDMO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1(C)C ZINC001560414938 1189325828 /nfs/dbraw/zinc/32/58/28/1189325828.db2.gz RIHJLHISCXWCMT-MCCGJVOXSA-N 1 1 301.789 3.334 20 10 DGCDMO CCN(CC)c1ccc(CNCC[N@@H+]2CCCC2(C)C)cc1 ZINC001560502644 1189334128 /nfs/dbraw/zinc/33/41/28/1189334128.db2.gz VIMDUUBRZGNIMR-UHFFFAOYSA-N 1 1 303.494 3.497 20 10 DGCDMO CCN(CC)c1ccc(CNCC[N@H+]2CCCC2(C)C)cc1 ZINC001560502644 1189334132 /nfs/dbraw/zinc/33/41/32/1189334132.db2.gz VIMDUUBRZGNIMR-UHFFFAOYSA-N 1 1 303.494 3.497 20 10 DGCDMO CC[C@@](C)(C[N@H+]1CCCN(c2ccc(OC)cc2)CC1)OC ZINC001560648746 1189355851 /nfs/dbraw/zinc/35/58/51/1189355851.db2.gz VGHAJLQCBJRSMB-SFHVURJKSA-N 1 1 306.450 3.022 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC001560672105 1189357977 /nfs/dbraw/zinc/35/79/77/1189357977.db2.gz WPJBAXMSMLYFKG-HNNXBMFYSA-N 1 1 314.433 3.019 20 10 DGCDMO COc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2O)cc1F ZINC001560670013 1189358258 /nfs/dbraw/zinc/35/82/58/1189358258.db2.gz NZEPWOAKGXCRJL-UHFFFAOYSA-N 1 1 311.303 3.450 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2cc(F)cc(F)c2O)cc1F ZINC001560670013 1189358263 /nfs/dbraw/zinc/35/82/63/1189358263.db2.gz NZEPWOAKGXCRJL-UHFFFAOYSA-N 1 1 311.303 3.450 20 10 DGCDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)cc2O)C1 ZINC001560679235 1189359303 /nfs/dbraw/zinc/35/93/03/1189359303.db2.gz GYLQPKSCKBTJSQ-DOTOQJQBSA-N 1 1 318.461 3.217 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCOC3(CCOCC3)CC2)c1 ZINC001560778354 1189379674 /nfs/dbraw/zinc/37/96/74/1189379674.db2.gz BQHISEWDPBGXMW-UHFFFAOYSA-N 1 1 319.445 3.287 20 10 DGCDMO Cn1cc(CCC[N@@H+](C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001560815605 1189386250 /nfs/dbraw/zinc/38/62/50/1189386250.db2.gz HCQRJLKUGNKJKL-UHFFFAOYSA-N 1 1 312.461 3.085 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCCN(CC(F)F)CC2)c1 ZINC001560813139 1189386907 /nfs/dbraw/zinc/38/69/07/1189386907.db2.gz OMAOROSVPBEAMD-UHFFFAOYSA-N 1 1 312.404 3.288 20 10 DGCDMO CC(C)C[N@H+](C/C=C/c1ccc(N(C)C)cc1)CCN(C)C ZINC001560815556 1189386933 /nfs/dbraw/zinc/38/69/33/1189386933.db2.gz FQWHKBKDWQYXFR-BQYQJAHWSA-N 1 1 303.494 3.285 20 10 DGCDMO CC(C)CN(C/C=C/c1ccc(N(C)C)cc1)CC[NH+](C)C ZINC001560815556 1189386938 /nfs/dbraw/zinc/38/69/38/1189386938.db2.gz FQWHKBKDWQYXFR-BQYQJAHWSA-N 1 1 303.494 3.285 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC001560985793 1189415455 /nfs/dbraw/zinc/41/54/55/1189415455.db2.gz LPORJOHKFAEXIH-WOJBJXKFSA-N 1 1 313.489 3.107 20 10 DGCDMO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1c(O)cccc1F ZINC001561015923 1189420264 /nfs/dbraw/zinc/42/02/64/1189420264.db2.gz KLWGIQCJMYMIQS-GFCCVEGCSA-N 1 1 317.360 3.371 20 10 DGCDMO Cc1csc(C[C@H]2CC[N@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001561020804 1189421533 /nfs/dbraw/zinc/42/15/33/1189421533.db2.gz RGHSKHIZKWABLN-LLVKDONJSA-N 1 1 324.396 3.500 20 10 DGCDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001561020804 1189421539 /nfs/dbraw/zinc/42/15/39/1189421539.db2.gz RGHSKHIZKWABLN-LLVKDONJSA-N 1 1 324.396 3.500 20 10 DGCDMO O=c1[nH]cc(C[NH2+]Cc2cc(F)cc(F)c2O)c2ccccc12 ZINC001621074724 1193799161 /nfs/dbraw/zinc/79/91/61/1193799161.db2.gz HLOZHNOOPWETJI-UHFFFAOYSA-N 1 1 316.307 3.214 20 10 DGCDMO CC(C)n1ncc2c1[C@@H]([NH2+]Cc1cccc(F)c1O)CCC2 ZINC001621226768 1193819131 /nfs/dbraw/zinc/81/91/31/1193819131.db2.gz CKIBQHZPNUBMAG-HNNXBMFYSA-N 1 1 303.381 3.476 20 10 DGCDMO CCc1cccc(C[NH2+]Cc2nc(-c3ccccc3)no2)c1O ZINC001621234469 1193820474 /nfs/dbraw/zinc/82/04/74/1193820474.db2.gz UEYRIVFZLXNSDY-UHFFFAOYSA-N 1 1 309.369 3.294 20 10 DGCDMO COc1cc(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001621272016 1193825302 /nfs/dbraw/zinc/82/53/02/1193825302.db2.gz RNMINDBPRWVBGS-KBPBESRZSA-N 1 1 320.477 3.223 20 10 DGCDMO COc1cc(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001621272016 1193825306 /nfs/dbraw/zinc/82/53/06/1193825306.db2.gz RNMINDBPRWVBGS-KBPBESRZSA-N 1 1 320.477 3.223 20 10 DGCDMO COc1cc(C[N@H+]2CCN(C)[C@@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001621272016 1193825307 /nfs/dbraw/zinc/82/53/07/1193825307.db2.gz RNMINDBPRWVBGS-KBPBESRZSA-N 1 1 320.477 3.223 20 10 DGCDMO Oc1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(F)c(F)cc1O)C2 ZINC001621292303 1193827245 /nfs/dbraw/zinc/82/72/45/1193827245.db2.gz UXTQZJQPFXUWLO-ZDUSSCGKSA-N 1 1 305.324 3.023 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(O)c1 ZINC001621306595 1193828550 /nfs/dbraw/zinc/82/85/50/1193828550.db2.gz PZUPOTKMSSDROA-OAHLLOKOSA-N 1 1 316.376 3.278 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC001621408997 1193838867 /nfs/dbraw/zinc/83/88/67/1193838867.db2.gz OAENXTUKOYSXOW-OCCSQVGLSA-N 1 1 323.408 3.331 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C[C@@H]1C(=O)OC(C)(C)C ZINC001621408997 1193838871 /nfs/dbraw/zinc/83/88/71/1193838871.db2.gz OAENXTUKOYSXOW-OCCSQVGLSA-N 1 1 323.408 3.331 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C[C@@H]1C(=O)OC(C)(C)C ZINC001621408997 1193838873 /nfs/dbraw/zinc/83/88/73/1193838873.db2.gz OAENXTUKOYSXOW-OCCSQVGLSA-N 1 1 323.408 3.331 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC001621477567 1193847851 /nfs/dbraw/zinc/84/78/51/1193847851.db2.gz UATGKJHMUVHKFD-XFQAVAEZSA-N 1 1 307.459 3.001 20 10 DGCDMO CN(Cc1ccccc1O)C(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC001641156755 1194841924 /nfs/dbraw/zinc/84/19/24/1194841924.db2.gz VAQUPLSVBWSVRK-HKUYNNGSSA-N 1 1 324.424 3.044 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCN(C)[C@H](C(C)(C)C)C2)cc1 ZINC001646537141 1195233441 /nfs/dbraw/zinc/23/34/41/1195233441.db2.gz SVQAKZYVNUVBFT-SFHVURJKSA-N 1 1 303.494 3.305 20 10 DGCDMO CCN(C)c1ccc(CN2CC[N@H+](C)[C@H](C(C)(C)C)C2)cc1 ZINC001646537141 1195233444 /nfs/dbraw/zinc/23/34/44/1195233444.db2.gz SVQAKZYVNUVBFT-SFHVURJKSA-N 1 1 303.494 3.305 20 10 DGCDMO CCN(C)c1ccc(CN2CC[N@@H+](C)[C@H](C(C)(C)C)C2)cc1 ZINC001646537141 1195233448 /nfs/dbraw/zinc/23/34/48/1195233448.db2.gz SVQAKZYVNUVBFT-SFHVURJKSA-N 1 1 303.494 3.305 20 10 DGCDMO COc1ccc(C[NH2+][C@@H](CO)c2cc(F)ccc2F)cc1C ZINC001648617862 1195315456 /nfs/dbraw/zinc/31/54/56/1195315456.db2.gz XVUNGGPOYNQUDJ-INIZCTEOSA-N 1 1 307.340 3.105 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC001651799528 1195510986 /nfs/dbraw/zinc/51/09/86/1195510986.db2.gz ACULMRQAQHTPAF-DOTOQJQBSA-N 1 1 307.459 3.222 20 10 DGCDMO Cc1cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)ccc1N(C)C ZINC001655187163 1195887662 /nfs/dbraw/zinc/88/76/62/1195887662.db2.gz MZDHDZOSXMEFGH-BGYRXZFFSA-N 1 1 314.473 3.454 20 10 DGCDMO CC(C)[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)N1CCCC1 ZINC001655251093 1195896595 /nfs/dbraw/zinc/89/65/95/1195896595.db2.gz MCJKWYSVLUCBMO-WHXUGTBJSA-N 1 1 315.505 3.476 20 10 DGCDMO C[C@@H](CNC/C=C/c1ccc(N(C)C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001655283037 1195899860 /nfs/dbraw/zinc/89/98/60/1195899860.db2.gz WYJJPMSUIYFKII-GNLKBHMISA-N 1 1 315.505 3.476 20 10 DGCDMO C[C@@H](CNC/C=C/c1ccc(N(C)C)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001655283037 1195899865 /nfs/dbraw/zinc/89/98/65/1195899865.db2.gz WYJJPMSUIYFKII-GNLKBHMISA-N 1 1 315.505 3.476 20 10 DGCDMO CN(c1ccc(C[NH2+]Cc2ccn(C)n2)cc1)C1CCCCC1 ZINC001655454108 1195919909 /nfs/dbraw/zinc/91/99/09/1195919909.db2.gz HSRKNBLPAZDBJP-UHFFFAOYSA-N 1 1 312.461 3.479 20 10 DGCDMO C[C@H](CNCc1ccc(N2CCCC2)cc1)[NH+]1CCC(C)CC1 ZINC001655454655 1195919941 /nfs/dbraw/zinc/91/99/41/1195919941.db2.gz PIIFMLNKWOVJFG-GOSISDBHSA-N 1 1 315.505 3.497 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2cccc(O)c2)c1 ZINC001655510369 1195926091 /nfs/dbraw/zinc/92/60/91/1195926091.db2.gz CJIKUTNEQWKQJW-UHFFFAOYSA-N 1 1 322.202 3.459 20 10 DGCDMO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C12CCCC2 ZINC001655737095 1195957969 /nfs/dbraw/zinc/95/79/69/1195957969.db2.gz ADJFTCYOPKCLNC-CABCVRRESA-N 1 1 311.372 3.498 20 10 DGCDMO COCc1nc(C[NH2+]Cc2c(C)c3ccccc3n2C)cs1 ZINC001656341388 1196031241 /nfs/dbraw/zinc/03/12/41/1196031241.db2.gz UTEIWHZXQFFFOX-UHFFFAOYSA-N 1 1 315.442 3.379 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCOCC1CCCC1 ZINC001656370910 1196033138 /nfs/dbraw/zinc/03/31/38/1196033138.db2.gz ISHIUSZXQNKCLR-UHFFFAOYSA-N 1 1 301.789 3.481 20 10 DGCDMO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001656383040 1196033842 /nfs/dbraw/zinc/03/38/42/1196033842.db2.gz QZZFDSUMJOUVME-INIZCTEOSA-N 1 1 303.494 3.353 20 10 DGCDMO Cc1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC001656855739 1196075805 /nfs/dbraw/zinc/07/58/05/1196075805.db2.gz RKHXYBYRITWWGX-UHFFFAOYSA-N 1 1 323.484 3.345 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+](CCO)CCc2ccccc2)cc1 ZINC001657471200 1196146692 /nfs/dbraw/zinc/14/66/92/1196146692.db2.gz XUKCPVGNLHTTEA-RMKNXTFCSA-N 1 1 324.468 3.303 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC001657921108 1196194237 /nfs/dbraw/zinc/19/42/37/1196194237.db2.gz PDBDKSHZDRKEGH-DNVCBOLYSA-N 1 1 319.445 3.286 20 10 DGCDMO CN(C)C[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)c1ccc(F)cc1 ZINC001658252803 1196231173 /nfs/dbraw/zinc/23/11/73/1196231173.db2.gz GQFQNBVPJKQUPQ-MRXNPFEDSA-N 1 1 324.346 3.202 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c1O ZINC001658475515 1196261426 /nfs/dbraw/zinc/26/14/26/1196261426.db2.gz SIYHHUJWKCMBJG-HNNXBMFYSA-N 1 1 305.418 3.261 20 10 DGCDMO CCC[C@H](C)CC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001658508046 1196267159 /nfs/dbraw/zinc/26/71/59/1196267159.db2.gz UKAMJYSTRAKLBS-KRWDZBQOSA-N 1 1 303.494 3.354 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC001658675767 1196287480 /nfs/dbraw/zinc/28/74/80/1196287480.db2.gz OMRUVLHAGQEBEG-PBHICJAKSA-N 1 1 319.351 3.368 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC001658675767 1196287484 /nfs/dbraw/zinc/28/74/84/1196287484.db2.gz OMRUVLHAGQEBEG-PBHICJAKSA-N 1 1 319.351 3.368 20 10 DGCDMO CCc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1O ZINC001658938146 1196322310 /nfs/dbraw/zinc/32/23/10/1196322310.db2.gz IPDWMNMKGMJABU-OALUTQOASA-N 1 1 308.425 3.418 20 10 DGCDMO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001659140955 1196350785 /nfs/dbraw/zinc/35/07/85/1196350785.db2.gz OHGDEYDGSRAKHJ-GFCCVEGCSA-N 1 1 307.340 3.053 20 10 DGCDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001659140955 1196350788 /nfs/dbraw/zinc/35/07/88/1196350788.db2.gz OHGDEYDGSRAKHJ-GFCCVEGCSA-N 1 1 307.340 3.053 20 10 DGCDMO C[C@H]1[C@@H](O)CC[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001659223862 1196361656 /nfs/dbraw/zinc/36/16/56/1196361656.db2.gz IROPUHJVNSUYFZ-KSSFIOAISA-N 1 1 316.470 3.340 20 10 DGCDMO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(F)c1O)CCO2 ZINC001659334568 1196372104 /nfs/dbraw/zinc/37/21/04/1196372104.db2.gz LMFUJFYJRBADHX-OAHLLOKOSA-N 1 1 303.333 3.153 20 10 DGCDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(F)c1O ZINC001659483782 1196387480 /nfs/dbraw/zinc/38/74/80/1196387480.db2.gz MULRTKCFTAWZKS-GXTWGEPZSA-N 1 1 323.408 3.474 20 10 DGCDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(F)c1O ZINC001659483782 1196387484 /nfs/dbraw/zinc/38/74/84/1196387484.db2.gz MULRTKCFTAWZKS-GXTWGEPZSA-N 1 1 323.408 3.474 20 10 DGCDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001659482311 1196387998 /nfs/dbraw/zinc/38/79/98/1196387998.db2.gz XYTQKWUOVPTMJQ-ODCPWLHKSA-N 1 1 302.462 3.247 20 10 DGCDMO COc1cc2c(cc1O)CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001660018776 1196438829 /nfs/dbraw/zinc/43/88/29/1196438829.db2.gz XHVSLIUFDCJJGA-UHFFFAOYSA-N 1 1 319.788 3.318 20 10 DGCDMO COc1cc2c(cc1O)CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001660018776 1196438832 /nfs/dbraw/zinc/43/88/32/1196438832.db2.gz XHVSLIUFDCJJGA-UHFFFAOYSA-N 1 1 319.788 3.318 20 10 DGCDMO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3O)C2)n1 ZINC001660107623 1196446393 /nfs/dbraw/zinc/44/63/93/1196446393.db2.gz RPURGIBVUTUNLB-GXFFZTMASA-N 1 1 321.808 3.417 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H](c1ccccc1)N(C)C ZINC001662266268 1196701488 /nfs/dbraw/zinc/70/14/88/1196701488.db2.gz LNGUTSDURLHIGH-SJKOYZFVSA-N 1 1 320.383 3.451 20 10 DGCDMO COc1ccnc(C[NH2+]Cc2c(C)c3ccccc3n2C)c1F ZINC001662900872 1196770314 /nfs/dbraw/zinc/77/03/14/1196770314.db2.gz MNDCMYILGCBKIH-UHFFFAOYSA-N 1 1 313.376 3.319 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]CCC[C@H]3C=CCC3)cc2)CC1 ZINC001663193941 1196808506 /nfs/dbraw/zinc/80/85/06/1196808506.db2.gz UQNKFUPVUHMFDG-SFHVURJKSA-N 1 1 313.489 3.274 20 10 DGCDMO COC(=O)c1c(C[N@H+]2C[C@@H](C)C[C@H]2C)c2cc(F)ccc2n1C ZINC001663591960 1196909594 /nfs/dbraw/zinc/90/95/94/1196909594.db2.gz YCJNATRBAMNENZ-NWDGAFQWSA-N 1 1 318.392 3.334 20 10 DGCDMO CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001663855761 1196951495 /nfs/dbraw/zinc/95/14/95/1196951495.db2.gz ZRVOZVDADQQGBN-UHFFFAOYSA-N 1 1 312.404 3.223 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC001664305870 1196988415 /nfs/dbraw/zinc/98/84/15/1196988415.db2.gz ROUKEHOVVUXBDC-CQSZACIVSA-N 1 1 303.324 3.015 20 10 DGCDMO CCC[C@]1(CO)CCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001664518435 1197009663 /nfs/dbraw/zinc/00/96/63/1197009663.db2.gz FHMOPXZQTPWZGL-WSSFADSRSA-N 1 1 302.462 3.393 20 10 DGCDMO Nc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000380110495 1197703548 /nfs/dbraw/zinc/70/35/48/1197703548.db2.gz ZIZUFFBOSZFCRK-VQTJNVASSA-N 1 1 321.468 3.223 20 10 DGCDMO Nc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000380110495 1197703554 /nfs/dbraw/zinc/70/35/54/1197703554.db2.gz ZIZUFFBOSZFCRK-VQTJNVASSA-N 1 1 321.468 3.223 20 10 DGCDMO Nc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000380110495 1197703562 /nfs/dbraw/zinc/70/35/62/1197703562.db2.gz ZIZUFFBOSZFCRK-VQTJNVASSA-N 1 1 321.468 3.223 20 10 DGCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000093507965 1198701474 /nfs/dbraw/zinc/70/14/74/1198701474.db2.gz IXYAUFMXSOWPLR-UHFFFAOYSA-N 1 1 306.425 3.283 20 10 DGCDMO COc1cc(Br)cc(C[N@@H+](C)CC2CCC2)c1O ZINC000127764392 1200700089 /nfs/dbraw/zinc/70/00/89/1200700089.db2.gz OJZGLPFSEFHFGG-UHFFFAOYSA-N 1 1 314.223 3.395 20 10 DGCDMO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000165048269 1203731096 /nfs/dbraw/zinc/73/10/96/1203731096.db2.gz YNCATTKFEWRDBZ-HNNXBMFYSA-N 1 1 313.397 3.463 20 10 DGCDMO CC(C)C[C@H]1CN(Cc2cc(F)cc(Cl)c2O)CC[NH2+]1 ZINC001235885008 1099232891 /nfs/dbraw/zinc/23/28/91/1099232891.db2.gz PYBWFXLXJDUYNV-ZDUSSCGKSA-N 1 1 300.805 3.005 20 10 DGCDMO COC(=O)CC[N@H+](Cc1cc(Cl)c(Cl)cc1O)C1CC1 ZINC001236804365 1099797711 /nfs/dbraw/zinc/79/77/11/1099797711.db2.gz RMHDAXZQIGKANG-UHFFFAOYSA-N 1 1 318.200 3.227 20 10 DGCDMO COC(=O)CC[N@@H+](Cc1cc(Cl)c(Cl)cc1O)C1CC1 ZINC001236804365 1099797719 /nfs/dbraw/zinc/79/77/19/1099797719.db2.gz RMHDAXZQIGKANG-UHFFFAOYSA-N 1 1 318.200 3.227 20 10 DGCDMO CCC[N@@H+](CCN1CCCC1)Cc1c(C)cc(OC)cc1O ZINC001181655705 1083508518 /nfs/dbraw/zinc/50/85/18/1083508518.db2.gz LNNCHOMGXPCRLN-UHFFFAOYSA-N 1 1 306.450 3.017 20 10 DGCDMO CCCN(CC[NH+]1CCCC1)Cc1c(C)cc(OC)cc1O ZINC001181655705 1083508529 /nfs/dbraw/zinc/50/85/29/1083508529.db2.gz LNNCHOMGXPCRLN-UHFFFAOYSA-N 1 1 306.450 3.017 20 10 DGCDMO CC[C@H](C)[NH+]1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC001181786164 1083538946 /nfs/dbraw/zinc/53/89/46/1083538946.db2.gz IIWMKSRGYLTUEF-NSHDSACASA-N 1 1 300.805 3.101 20 10 DGCDMO Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC001181845336 1083556909 /nfs/dbraw/zinc/55/69/09/1083556909.db2.gz UBULGKAUIPUIRZ-NVXWUHKLSA-N 1 1 318.804 3.451 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(O)c1 ZINC001182128269 1083625009 /nfs/dbraw/zinc/62/50/09/1083625009.db2.gz SQSJAYAVJSQCPU-ZWKOTPCHSA-N 1 1 317.429 3.243 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC[C@H](c3nc(C)cs3)C2)c(O)c1 ZINC001183673280 1083995711 /nfs/dbraw/zinc/99/57/11/1083995711.db2.gz PQZWUNGZTQKRSR-ZDUSSCGKSA-N 1 1 318.442 3.464 20 10 DGCDMO COC(=O)C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(C)(C)C ZINC001184012540 1084088701 /nfs/dbraw/zinc/08/87/01/1084088701.db2.gz NCWYIKBBMOYRMS-GFCCVEGCSA-N 1 1 317.788 3.252 20 10 DGCDMO Oc1c(Br)cccc1C[NH2+]CC1SCCS1 ZINC000692888832 1084139987 /nfs/dbraw/zinc/13/99/87/1084139987.db2.gz OASNWKPOQVZJIK-UHFFFAOYSA-N 1 1 320.277 3.050 20 10 DGCDMO COc1ccc(C[N@H+]2CCCc3ccc(OC)cc3C2)c(O)c1 ZINC001203634362 1084619159 /nfs/dbraw/zinc/61/91/59/1084619159.db2.gz BFMZTBCOCOVNEJ-UHFFFAOYSA-N 1 1 313.397 3.358 20 10 DGCDMO COc1c(F)cc(F)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001143563280 1085741794 /nfs/dbraw/zinc/74/17/94/1085741794.db2.gz SWBRJCLPZNYJCA-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO COc1c(F)cc(F)cc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001143563280 1085741803 /nfs/dbraw/zinc/74/18/03/1085741803.db2.gz SWBRJCLPZNYJCA-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001142527496 1087277757 /nfs/dbraw/zinc/27/77/57/1087277757.db2.gz WXORXVWUMPFICB-UHFFFAOYSA-N 1 1 321.367 3.444 20 10 DGCDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001142527496 1087277765 /nfs/dbraw/zinc/27/77/65/1087277765.db2.gz WXORXVWUMPFICB-UHFFFAOYSA-N 1 1 321.367 3.444 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC(c2cccnc2)CC1 ZINC001142527063 1087278013 /nfs/dbraw/zinc/27/80/13/1087278013.db2.gz JDLNNIKYYGNKTB-UHFFFAOYSA-N 1 1 304.340 3.445 20 10 DGCDMO CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1O ZINC001272619351 1088325204 /nfs/dbraw/zinc/32/52/04/1088325204.db2.gz VBMAPABMYPHLPN-DNVCBOLYSA-N 1 1 316.445 3.148 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214122 1088712296 /nfs/dbraw/zinc/71/22/96/1088712296.db2.gz QJICGBZQINHIKP-CHWSQXEVSA-N 1 1 303.233 3.401 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC(F)(F)[C@@H](N)C2)cc1 ZINC001206654318 1089015054 /nfs/dbraw/zinc/01/50/54/1089015054.db2.gz BLLYSAVDAANZCY-KRWDZBQOSA-N 1 1 319.399 3.262 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC(F)(F)[C@H](N)C2)c2ccccc21 ZINC001206658027 1089211740 /nfs/dbraw/zinc/21/17/40/1089211740.db2.gz UMGHFSZQYOYDMZ-QGZVFWFLSA-N 1 1 319.399 3.074 20 10 DGCDMO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001236794927 1089894928 /nfs/dbraw/zinc/89/49/28/1089894928.db2.gz WWCHYSKABUISJV-CQSZACIVSA-N 1 1 322.207 3.386 20 10 DGCDMO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001236794927 1089894938 /nfs/dbraw/zinc/89/49/38/1089894938.db2.gz WWCHYSKABUISJV-CQSZACIVSA-N 1 1 322.207 3.386 20 10 DGCDMO COc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c(O)c1Cl ZINC001236811195 1089953248 /nfs/dbraw/zinc/95/32/48/1089953248.db2.gz HRZYMBRYANRWKN-ZDUSSCGKSA-N 1 1 303.736 3.285 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c(O)c1Cl ZINC001236811195 1089953266 /nfs/dbraw/zinc/95/32/66/1089953266.db2.gz HRZYMBRYANRWKN-ZDUSSCGKSA-N 1 1 303.736 3.285 20 10 DGCDMO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C)cc1O ZINC001272765420 1090561137 /nfs/dbraw/zinc/56/11/37/1090561137.db2.gz HXQZRBHYKAJIFV-DJIMGWMZSA-N 1 1 316.445 3.064 20 10 DGCDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2O)C1 ZINC001203558557 1090614503 /nfs/dbraw/zinc/61/45/03/1090614503.db2.gz MVNAEWFGALSTSK-UKRRQHHQSA-N 1 1 320.433 3.127 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC001203550090 1090752826 /nfs/dbraw/zinc/75/28/26/1090752826.db2.gz HGUYLMOUXFBZFY-CQSZACIVSA-N 1 1 320.433 3.224 20 10 DGCDMO Cc1ccc(CN2C[C@H]3C[NH+](Cc4ccccc4O)C[C@@H]3C2)cc1 ZINC001203552010 1090753856 /nfs/dbraw/zinc/75/38/56/1090753856.db2.gz WUSJAUKOCFKKES-PMACEKPBSA-N 1 1 322.452 3.264 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCc3nc(C)sc3C2)c1O ZINC001203608914 1090766623 /nfs/dbraw/zinc/76/66/23/1090766623.db2.gz AOXOMSGPPHVILO-UHFFFAOYSA-N 1 1 304.415 3.114 20 10 DGCDMO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665591 1090775192 /nfs/dbraw/zinc/77/51/92/1090775192.db2.gz OIZCWCYERJQBIF-OAHLLOKOSA-N 1 1 318.804 3.402 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCCN(c2cccnc2)CC1 ZINC001203664379 1090776020 /nfs/dbraw/zinc/77/60/20/1090776020.db2.gz CCWVODMBALOOOA-UHFFFAOYSA-N 1 1 317.820 3.153 20 10 DGCDMO Cc1cccc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203936904 1090844605 /nfs/dbraw/zinc/84/46/05/1090844605.db2.gz QNQKJQSNEKUFPW-SFHVURJKSA-N 1 1 311.429 3.109 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C2CCN(C)CC2)c2ccccc21 ZINC001204232390 1090929391 /nfs/dbraw/zinc/92/93/91/1090929391.db2.gz BVLKIJZNAMBJQU-UHFFFAOYSA-N 1 1 311.473 3.432 20 10 DGCDMO 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CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141078120 1092131935 /nfs/dbraw/zinc/13/19/35/1092131935.db2.gz LTTPFKUIGGAAIU-ICSRJNTNSA-N 1 1 312.457 3.139 20 10 DGCDMO Cc1cc(F)cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001143619642 1092139980 /nfs/dbraw/zinc/13/99/80/1092139980.db2.gz YIFWZXRBLRKLMD-UHFFFAOYSA-N 1 1 301.361 3.494 20 10 DGCDMO CN1CCOc2cc(C[N@H+]3CCCc4ccccc4C3)ccc21 ZINC001141143905 1092150476 /nfs/dbraw/zinc/15/04/76/1092150476.db2.gz NEHQMZDOPINLNP-UHFFFAOYSA-N 1 1 308.425 3.464 20 10 DGCDMO Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141158530 1092156025 /nfs/dbraw/zinc/15/60/25/1092156025.db2.gz CQXIDGGUZZVCRE-QGZVFWFLSA-N 1 1 313.397 3.450 20 10 DGCDMO Oc1ccc(O)c(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c1 ZINC001141160564 1092156076 /nfs/dbraw/zinc/15/60/76/1092156076.db2.gz ZDQRHNLZGCGKLZ-LJHODMEESA-N 1 1 317.429 3.125 20 10 DGCDMO Cc1ccc([C@@]2(C)C[N@@H+](Cc3cc(O)ccc3O)CCO2)cc1 ZINC001141160788 1092157574 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CC[N@@H+](CCn1ccnc1)Cc1cccc(C(C)(C)C)c1O ZINC001143116784 1092618200 /nfs/dbraw/zinc/61/82/00/1092618200.db2.gz KWTHGNQGJJLADR-UHFFFAOYSA-N 1 1 301.434 3.408 20 10 DGCDMO COC(=O)[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC12CC2 ZINC001143117092 1092618500 /nfs/dbraw/zinc/61/85/00/1092618500.db2.gz SDUFAVKVUODCRN-OAHLLOKOSA-N 1 1 317.429 3.075 20 10 DGCDMO C[N@@H+]1CCCC2(CC[NH+](Cc3cc(Cl)c([O-])cc3O)CC2)C1 ZINC001276617010 1092660435 /nfs/dbraw/zinc/66/04/35/1092660435.db2.gz MIYQYUPTHGLVMV-UHFFFAOYSA-N 1 1 324.852 3.059 20 10 DGCDMO C[N@H+]1CCCC2(CC[NH+](Cc3cc(Cl)c([O-])cc3O)CC2)C1 ZINC001276617010 1092660441 /nfs/dbraw/zinc/66/04/41/1092660441.db2.gz MIYQYUPTHGLVMV-UHFFFAOYSA-N 1 1 324.852 3.059 20 10 DGCDMO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209517908 1092805791 /nfs/dbraw/zinc/80/57/91/1092805791.db2.gz IAQLXYVRBKFUOQ-SFHVURJKSA-N 1 1 312.413 3.232 20 10 DGCDMO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209517908 1092805796 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ZINC000697935124 1095053403 /nfs/dbraw/zinc/05/34/03/1095053403.db2.gz IKINGCNWOSKJPR-QMMMGPOBSA-N 1 1 313.220 3.462 20 10 DGCDMO Oc1cc2c(cc1O)C[N@@H+](Cc1ccc3c(c1)COC3)CCC2 ZINC001137029278 1095297573 /nfs/dbraw/zinc/29/75/73/1095297573.db2.gz VUFMFSMQHKOXMY-UHFFFAOYSA-N 1 1 311.381 3.076 20 10 DGCDMO CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001338928171 1095439350 /nfs/dbraw/zinc/43/93/50/1095439350.db2.gz CCFZCXNOVOOZOM-STQMWFEESA-N 1 1 300.805 3.147 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320763 1095550344 /nfs/dbraw/zinc/55/03/44/1095550344.db2.gz MSJNKVOGHHEIHG-MRXNPFEDSA-N 1 1 312.816 3.293 20 10 DGCDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001116444985 1095558049 /nfs/dbraw/zinc/55/80/49/1095558049.db2.gz KPTWBHNDRFFBDG-HOTGVXAUSA-N 1 1 319.468 3.198 20 10 DGCDMO COc1ccc(CN2CCC[C@@]3(CCCC[NH2+]3)C2)c(O)c1Cl ZINC001222396234 1095592464 /nfs/dbraw/zinc/59/24/64/1095592464.db2.gz PENSMXZSRZNHDO-KRWDZBQOSA-N 1 1 324.852 3.162 20 10 DGCDMO CCN1CCC[C@H](C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC001116565793 1095602470 /nfs/dbraw/zinc/60/24/70/1095602470.db2.gz XDISXFBNVGBZRE-GUTXKFCHSA-N 1 1 306.425 3.401 20 10 DGCDMO CC(C)c1nc(C[N@H+](C)Cc2c(O)cc(O)cc2O)cs1 ZINC001144514527 1095701065 /nfs/dbraw/zinc/70/10/65/1095701065.db2.gz JJEXYSWCFRLYCD-UHFFFAOYSA-N 1 1 308.403 3.015 20 10 DGCDMO CC(C)c1nc(C[N@@H+](C)Cc2c(O)cc(O)cc2O)cs1 ZINC001144514527 1095701071 /nfs/dbraw/zinc/70/10/71/1095701071.db2.gz JJEXYSWCFRLYCD-UHFFFAOYSA-N 1 1 308.403 3.015 20 10 DGCDMO CC[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(F)cc1O ZINC001117140051 1095720107 /nfs/dbraw/zinc/72/01/07/1095720107.db2.gz YXLVUPTVDQCHMP-BBRMVZONSA-N 1 1 322.424 3.221 20 10 DGCDMO COc1ccc2c(c1)C[N@@H+](Cc1c(O)cccc1F)CCC2 ZINC001137841652 1095759579 /nfs/dbraw/zinc/75/95/79/1095759579.db2.gz OEVYXZGPIGOCIZ-UHFFFAOYSA-N 1 1 301.361 3.488 20 10 DGCDMO COc1ccc2c(c1)C[N@H+](Cc1c(O)cccc1F)CCC2 ZINC001137841652 1095759589 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COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccc(C)c1O)C2 ZINC001231592574 1097787317 /nfs/dbraw/zinc/78/73/17/1097787317.db2.gz NTMCPPJTNMZKTA-LPHOPBHVSA-N 1 1 319.445 3.108 20 10 DGCDMO Cc1cccc(C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1O ZINC001231594657 1097788544 /nfs/dbraw/zinc/78/85/44/1097788544.db2.gz MPGZPYJLLLQJGP-QUCCMNQESA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1cc(C)c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001231842237 1097860862 /nfs/dbraw/zinc/86/08/62/1097860862.db2.gz LLOJFOTXVFGIIA-HNNXBMFYSA-N 1 1 317.351 3.288 20 10 DGCDMO Cc1nc([C@H]2CCC[N@@H+](Cc3c(C)cc(C)cc3O)C2)no1 ZINC001231843475 1097860885 /nfs/dbraw/zinc/86/08/85/1097860885.db2.gz ZSTKLXPBUDKBTA-AWEZNQCLSA-N 1 1 301.390 3.080 20 10 DGCDMO CC[C@@H]1[N@@H+](Cc2c(C)cc(C)cc2O)CCC[C@]12CCC(=O)N2 ZINC001231844713 1097861620 /nfs/dbraw/zinc/86/16/20/1097861620.db2.gz NPRDSNWEWNYCDR-HKUYNNGSSA-N 1 1 316.445 3.032 20 10 DGCDMO Cc1cc(C)c(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c(O)c1 ZINC001231844071 1097862721 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COc1cc(N(C)C)ccc1C[N@@H+]1CCc2ncc(C)cc2C1 ZINC001231858643 1097866660 /nfs/dbraw/zinc/86/66/60/1097866660.db2.gz XTHKBLXDRDVINR-UHFFFAOYSA-N 1 1 311.429 3.023 20 10 DGCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCc2ncc(C)cc2C1 ZINC001231858643 1097866665 /nfs/dbraw/zinc/86/66/65/1097866665.db2.gz XTHKBLXDRDVINR-UHFFFAOYSA-N 1 1 311.429 3.023 20 10 DGCDMO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231868336 1097869889 /nfs/dbraw/zinc/86/98/89/1097869889.db2.gz UDCLUODZJDKSLH-VXGBXAGGSA-N 1 1 311.809 3.128 20 10 DGCDMO Oc1c(Cl)cccc1CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001231912150 1097889624 /nfs/dbraw/zinc/88/96/24/1097889624.db2.gz WAKULWBSZNQGKS-HNNXBMFYSA-N 1 1 308.853 3.496 20 10 DGCDMO CC[N@@H+](Cc1cnc(-c2cccnc2)o1)Cc1ccccc1O ZINC001232132883 1097945257 /nfs/dbraw/zinc/94/52/57/1097945257.db2.gz BLTRQUMYIXTHIZ-UHFFFAOYSA-N 1 1 309.369 3.464 20 10 DGCDMO COc1ccccc1CC[N@@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232264468 1097986060 /nfs/dbraw/zinc/98/60/60/1097986060.db2.gz CKIAFLIZZIIQFE-UHFFFAOYSA-N 1 1 321.804 3.434 20 10 DGCDMO C[N@H+](Cc1cc(Cl)c(O)cc1O)C[C@H]1Cc2ccccc2O1 ZINC001232266791 1097986357 /nfs/dbraw/zinc/98/63/57/1097986357.db2.gz YVEKNXJKFRFXLQ-CYBMUJFWSA-N 1 1 319.788 3.187 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c(O)c1 ZINC001232839992 1098149208 /nfs/dbraw/zinc/14/92/08/1098149208.db2.gz ZKZPADLQERNUCX-SFHVURJKSA-N 1 1 311.429 3.060 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)c(O)c1 ZINC001232836560 1098149453 /nfs/dbraw/zinc/14/94/53/1098149453.db2.gz PYHFRXANSPBMAB-CQSZACIVSA-N 1 1 320.330 3.182 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c(O)c1 ZINC001232842061 1098150385 /nfs/dbraw/zinc/15/03/85/1098150385.db2.gz YPQGFZIGNXAIGP-QGZVFWFLSA-N 1 1 324.424 3.163 20 10 DGCDMO Oc1cc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc(O)c1O ZINC001233017593 1098204426 /nfs/dbraw/zinc/20/44/26/1098204426.db2.gz HTIJLXJXSUNQAJ-OAHLLOKOSA-N 1 1 317.360 3.150 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC3(CC3)C2)cc1Br ZINC001233137350 1098235193 /nfs/dbraw/zinc/23/51/93/1098235193.db2.gz JOIWHZQNPZCIKZ-UHFFFAOYSA-N 1 1 312.207 3.149 20 10 DGCDMO CCOC(=O)c1c(C[N@H+]2CCC[C@@H]2C)c2ccccc2n1C ZINC001233270647 1098269913 /nfs/dbraw/zinc/26/99/13/1098269913.db2.gz VIXDCBPHSOZAKE-ZDUSSCGKSA-N 1 1 300.402 3.339 20 10 DGCDMO CCOC(=O)c1c(C[N@@H+]2C[C@H](F)C[C@H]2C)c2ccccc2n1C ZINC001233270651 1098270402 /nfs/dbraw/zinc/27/04/02/1098270402.db2.gz VLRFFQFRPIGCTL-CHWSQXEVSA-N 1 1 318.392 3.287 20 10 DGCDMO CCOC(=O)c1c(C[N@H+]2C[C@H](F)C[C@H]2C)c2ccccc2n1C ZINC001233270651 1098270407 /nfs/dbraw/zinc/27/04/07/1098270407.db2.gz VLRFFQFRPIGCTL-CHWSQXEVSA-N 1 1 318.392 3.287 20 10 DGCDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286140 1098276307 /nfs/dbraw/zinc/27/63/07/1098276307.db2.gz HABBECNXSLLEQA-CQSZACIVSA-N 1 1 319.445 3.465 20 10 DGCDMO C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CCC2(C1)OCCO2 ZINC001233286771 1098276495 /nfs/dbraw/zinc/27/64/95/1098276495.db2.gz ILALFPIGLHFYOA-MRXNPFEDSA-N 1 1 319.445 3.417 20 10 DGCDMO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](N3CCCC3)C2)c1 ZINC001233286397 1098276822 /nfs/dbraw/zinc/27/68/22/1098276822.db2.gz SBVYLIHGNCEYLS-QGZVFWFLSA-N 1 1 302.462 3.360 20 10 DGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@@H](N3CCCC3)C2)c1 ZINC001233286397 1098276828 /nfs/dbraw/zinc/27/68/28/1098276828.db2.gz SBVYLIHGNCEYLS-QGZVFWFLSA-N 1 1 302.462 3.360 20 10 DGCDMO COC(=O)/C=C/c1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC001233299909 1098281209 /nfs/dbraw/zinc/28/12/09/1098281209.db2.gz UHHAVCVZMDVWRV-VAWYXSNFSA-N 1 1 311.381 3.210 20 10 DGCDMO [O-]c1ccc(F)c(F)c1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001233332480 1098290396 /nfs/dbraw/zinc/29/03/96/1098290396.db2.gz MJUMHEGIOCHUKJ-VXNVDRBHSA-N 1 1 313.241 3.250 20 10 DGCDMO Oc1c(C[N@@H+]2CCCC[C@@](O)(CF)C2)cccc1C(F)(F)F ZINC001233415945 1098321914 /nfs/dbraw/zinc/32/19/14/1098321914.db2.gz PFZHKADTOMFKJO-CQSZACIVSA-N 1 1 321.314 3.098 20 10 DGCDMO Oc1c(C[N@H+]2CCCC[C@@](O)(CF)C2)cccc1C(F)(F)F ZINC001233415945 1098321923 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C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CCC[C@H]1O ZINC001233415639 1098322640 /nfs/dbraw/zinc/32/26/40/1098322640.db2.gz DFYIHGYFCYTHGJ-GXFFZTMASA-N 1 1 303.324 3.004 20 10 DGCDMO Oc1c(CN2CC[N@H+]3CCCC[C@H]3C2)cccc1C(F)(F)F ZINC001233417891 1098323520 /nfs/dbraw/zinc/32/35/20/1098323520.db2.gz MBQJDURHMPBDPD-ZDUSSCGKSA-N 1 1 314.351 3.081 20 10 DGCDMO C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@@H]1O ZINC001233415605 1098323812 /nfs/dbraw/zinc/32/38/12/1098323812.db2.gz CGEWHDOSHOLAMX-GWCFXTLKSA-N 1 1 303.324 3.004 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@@H]1O ZINC001233415605 1098323818 /nfs/dbraw/zinc/32/38/18/1098323818.db2.gz CGEWHDOSHOLAMX-GWCFXTLKSA-N 1 1 303.324 3.004 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@H]1O ZINC001233415608 1098323955 /nfs/dbraw/zinc/32/39/55/1098323955.db2.gz CGEWHDOSHOLAMX-ZWNOBZJWSA-N 1 1 303.324 3.004 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@H]1O ZINC001233415608 1098323958 /nfs/dbraw/zinc/32/39/58/1098323958.db2.gz CGEWHDOSHOLAMX-ZWNOBZJWSA-N 1 1 303.324 3.004 20 10 DGCDMO CC[N@@H+](CCCC(=O)OC)Cc1ccc(C(F)(F)F)cc1O ZINC001233452194 1098337940 /nfs/dbraw/zinc/33/79/40/1098337940.db2.gz NNEQXCCRXGMCEE-UHFFFAOYSA-N 1 1 319.323 3.186 20 10 DGCDMO CC1(C)C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)[C@@](C)(CO)C1 ZINC001233452424 1098338622 /nfs/dbraw/zinc/33/86/22/1098338622.db2.gz WBGQNOILKWLQLP-OAHLLOKOSA-N 1 1 317.351 3.394 20 10 DGCDMO C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233452476 1098338649 /nfs/dbraw/zinc/33/86/49/1098338649.db2.gz YBEMCTJLTWDJOO-WDEREUQCSA-N 1 1 303.324 3.004 20 10 DGCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC001233455334 1098340323 /nfs/dbraw/zinc/34/03/23/1098340323.db2.gz GFZQZTKKQAPOKU-CYBMUJFWSA-N 1 1 301.308 3.022 20 10 DGCDMO C[N@@H+](C1CC1)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455253 1098341299 /nfs/dbraw/zinc/34/12/99/1098341299.db2.gz CIOGFTBQCGSPBA-CQSZACIVSA-N 1 1 314.351 3.080 20 10 DGCDMO CN(C1CC1)[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455253 1098341304 /nfs/dbraw/zinc/34/13/04/1098341304.db2.gz CIOGFTBQCGSPBA-CQSZACIVSA-N 1 1 314.351 3.080 20 10 DGCDMO CN(C1CC1)[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455253 1098341309 /nfs/dbraw/zinc/34/13/09/1098341309.db2.gz CIOGFTBQCGSPBA-CQSZACIVSA-N 1 1 314.351 3.080 20 10 DGCDMO O=C1CCC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3O)C[C@H]12 ZINC001233455863 1098343113 /nfs/dbraw/zinc/34/31/13/1098343113.db2.gz BOFCDYVLKLKJSY-MFKMUULPSA-N 1 1 313.319 3.212 20 10 DGCDMO Oc1c(C[N@H+]2CCC[C@]23CCOC3)cccc1OC(F)(F)F ZINC001233768179 1098427514 /nfs/dbraw/zinc/42/75/14/1098427514.db2.gz LNVCXFDPWVWVDI-CQSZACIVSA-N 1 1 317.307 3.046 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)[C@H](C)C1 ZINC001233776171 1098429158 /nfs/dbraw/zinc/42/91/58/1098429158.db2.gz MCGAKZNYWLHKQB-PWSUYJOCSA-N 1 1 319.323 3.290 20 10 DGCDMO C[C@@H](CNCc1ccc2c(c1)CCCO2)[N@@H+]1CCC[C@H](C)C1 ZINC001177261672 1098507869 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/nfs/dbraw/zinc/48/90/78/1111489078.db2.gz IBJYWNGGJAGKNQ-UHFFFAOYSA-N 1 1 301.361 3.488 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]CCSCCC(F)(F)F ZINC001621482089 1193849011 /nfs/dbraw/zinc/84/90/11/1193849011.db2.gz KMUCEGPGHWPVGU-UHFFFAOYSA-N 1 1 315.307 3.446 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2cccn2C)c1 ZINC000179709016 432068446 /nfs/dbraw/zinc/06/84/46/432068446.db2.gz CZJDOENDNIJEEM-QGZVFWFLSA-N 1 1 300.402 3.467 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)cc1C ZINC000189877342 432099484 /nfs/dbraw/zinc/09/94/84/432099484.db2.gz YRTRWTAWARQJBR-INIZCTEOSA-N 1 1 317.458 3.033 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)Cc2cc(Cl)cn2C)c1O ZINC000091930825 193128342 /nfs/dbraw/zinc/12/83/42/193128342.db2.gz YIYYFDIALICYRC-UHFFFAOYSA-N 1 1 308.809 3.415 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000092975802 193191859 /nfs/dbraw/zinc/19/18/59/193191859.db2.gz BCDMEBMZLIKTSF-GOSISDBHSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000092975802 193191861 /nfs/dbraw/zinc/19/18/61/193191861.db2.gz BCDMEBMZLIKTSF-GOSISDBHSA-N 1 1 301.361 3.413 20 10 DGCDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000093316106 193229648 /nfs/dbraw/zinc/22/96/48/193229648.db2.gz QAWQOKFMHSYJGM-NSHDSACASA-N 1 1 301.342 3.020 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)c2nccs2)c1 ZINC000273395233 130116411 /nfs/dbraw/zinc/11/64/11/130116411.db2.gz FHNIXYAUVATNLF-WDEREUQCSA-N 1 1 320.414 3.090 20 10 DGCDMO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1O ZINC000273427528 130120803 /nfs/dbraw/zinc/12/08/03/130120803.db2.gz UQCMOPPVOFCQLN-GXTWGEPZSA-N 1 1 321.367 3.172 20 10 DGCDMO C[C@H](NCc1nccn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273577876 130139854 /nfs/dbraw/zinc/13/98/54/130139854.db2.gz MBKCIQGEDYOVHM-QMMMGPOBSA-N 1 1 300.189 3.283 20 10 DGCDMO CC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)c1ccncc1 ZINC000273587978 130140396 /nfs/dbraw/zinc/14/03/96/130140396.db2.gz OJKGYCIYYHIGNX-BLLLJJGKSA-N 1 1 314.385 3.376 20 10 DGCDMO CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604895 130142856 /nfs/dbraw/zinc/14/28/56/130142856.db2.gz SZXDLRBZOVLKPJ-KBPBESRZSA-N 1 1 321.421 3.071 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2CCOC3(CCCC3)C2)c1O ZINC000273786609 130166917 /nfs/dbraw/zinc/16/69/17/130166917.db2.gz UOMFGWLRSHUHJW-UHFFFAOYSA-N 1 1 311.809 3.199 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCOC3(CCCC3)C2)c1O ZINC000273786609 130166919 /nfs/dbraw/zinc/16/69/19/130166919.db2.gz UOMFGWLRSHUHJW-UHFFFAOYSA-N 1 1 311.809 3.199 20 10 DGCDMO CCc1nn(C)c(OC)c1C[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000286055483 131218046 /nfs/dbraw/zinc/21/80/46/131218046.db2.gz LFOIFFZMWKGMAU-AWEZNQCLSA-N 1 1 321.396 3.077 20 10 DGCDMO C[C@@H]([NH2+]CC(C)(C)OCCO)c1cc(Cl)c(Cl)cc1O ZINC000287421143 131279553 /nfs/dbraw/zinc/27/95/53/131279553.db2.gz SGDHRERYJJVDPK-SECBINFHSA-N 1 1 322.232 3.137 20 10 DGCDMO COCCC[N@@H+](Cc1ccncc1)Cc1cc(C)ccc1O ZINC000289453897 131387131 /nfs/dbraw/zinc/38/71/31/131387131.db2.gz NLSBHRBLVRVBCT-UHFFFAOYSA-N 1 1 300.402 3.134 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000093865935 400258516 /nfs/dbraw/zinc/25/85/16/400258516.db2.gz VNHMHHVJBQAFQB-OAHLLOKOSA-N 1 1 304.777 3.094 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1OC ZINC000289972921 286238859 /nfs/dbraw/zinc/23/88/59/286238859.db2.gz ZFXMYTSVEYKUFT-OAHLLOKOSA-N 1 1 314.385 3.142 20 10 DGCDMO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)c1nncn1C ZINC000268824465 278379160 /nfs/dbraw/zinc/37/91/60/278379160.db2.gz AWCBTEOUTUQMLL-HUUCEWRRSA-N 1 1 313.449 3.217 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1F ZINC000071004390 431269010 /nfs/dbraw/zinc/26/90/10/431269010.db2.gz VVYQEQWMKABWKA-UHFFFAOYSA-N 1 1 314.404 3.294 20 10 DGCDMO CCOc1cccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000093683567 431916771 /nfs/dbraw/zinc/91/67/71/431916771.db2.gz IQMUSDSWOFYZLF-MRXNPFEDSA-N 1 1 318.461 3.099 20 10 DGCDMO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093770025 431916790 /nfs/dbraw/zinc/91/67/90/431916790.db2.gz KFZZGCWVJMMSDK-IBGZPJMESA-N 1 1 315.505 3.451 20 10 DGCDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093770025 431916791 /nfs/dbraw/zinc/91/67/91/431916791.db2.gz KFZZGCWVJMMSDK-IBGZPJMESA-N 1 1 315.505 3.451 20 10 DGCDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2c(O)cccc2Cl)cc1 ZINC000126421755 431949577 /nfs/dbraw/zinc/94/95/77/431949577.db2.gz WYLVGWGBEKYZQY-INIZCTEOSA-N 1 1 321.804 3.220 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)c1 ZINC000183950807 432338789 /nfs/dbraw/zinc/33/87/89/432338789.db2.gz NWIPGZUPNYVTDV-AWEZNQCLSA-N 1 1 306.450 3.173 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000271440199 432396349 /nfs/dbraw/zinc/39/63/49/432396349.db2.gz RRJKIRJDOURHAF-ZFWWWQNUSA-N 1 1 320.433 3.127 20 10 DGCDMO COCCN(C)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185008704 432455860 /nfs/dbraw/zinc/45/58/60/432455860.db2.gz NWSRJKDGIGHPDV-HNNXBMFYSA-N 1 1 316.445 3.164 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1O ZINC000184678793 432419701 /nfs/dbraw/zinc/41/97/01/432419701.db2.gz GHPKQMKDSUILKR-LLVKDONJSA-N 1 1 311.809 3.055 20 10 DGCDMO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192871825 432424004 /nfs/dbraw/zinc/42/40/04/432424004.db2.gz IPGWHEZEPPLAFU-LKFCYVNXSA-N 1 1 322.232 3.137 20 10 DGCDMO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1O ZINC000185291179 432487371 /nfs/dbraw/zinc/48/73/71/432487371.db2.gz WBLVVMCCNQXLQP-JTQLQIEISA-N 1 1 320.330 3.209 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CC1=CCCOC1 ZINC000155243678 432546370 /nfs/dbraw/zinc/54/63/70/432546370.db2.gz DZWYKRMFGNBFAH-UHFFFAOYSA-N 1 1 300.446 3.455 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2CCOCC23CCCC3)c1O ZINC000273755872 432630646 /nfs/dbraw/zinc/63/06/46/432630646.db2.gz OFVIDAXQVZFDLF-UHFFFAOYSA-N 1 1 311.809 3.199 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCOCC23CCCC3)c1O ZINC000273755872 432630649 /nfs/dbraw/zinc/63/06/49/432630649.db2.gz OFVIDAXQVZFDLF-UHFFFAOYSA-N 1 1 311.809 3.199 20 10 DGCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1O ZINC000276013977 432766622 /nfs/dbraw/zinc/76/66/22/432766622.db2.gz QFNUTGVLLAYGKT-GOSISDBHSA-N 1 1 302.462 3.270 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)c1ncnn1C ZINC000276539322 432817319 /nfs/dbraw/zinc/81/73/19/432817319.db2.gz DIOSSHGKDBYAFR-GJZGRUSLSA-N 1 1 313.449 3.217 20 10 DGCDMO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)[nH]1 ZINC000276761894 432824182 /nfs/dbraw/zinc/82/41/82/432824182.db2.gz AJBJELKEGXWRSW-STQMWFEESA-N 1 1 301.438 3.235 20 10 DGCDMO CCOc1cccc(C[NH2+][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)c1O ZINC000277172840 432830569 /nfs/dbraw/zinc/83/05/69/432830569.db2.gz HXDAKGSNNFGYMG-RYUDHWBXSA-N 1 1 318.421 3.273 20 10 DGCDMO CCCOc1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)c(O)c1 ZINC000277625337 432864977 /nfs/dbraw/zinc/86/49/77/432864977.db2.gz XIPOIFMBVCJDFH-MRXNPFEDSA-N 1 1 306.450 3.097 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[S@]1=O ZINC000277779339 432875631 /nfs/dbraw/zinc/87/56/31/432875631.db2.gz WOEOSHZJRSNSEW-OPAMFIHVSA-N 1 1 320.502 3.020 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[S@]1=O ZINC000277779339 432875632 /nfs/dbraw/zinc/87/56/32/432875632.db2.gz WOEOSHZJRSNSEW-OPAMFIHVSA-N 1 1 320.502 3.020 20 10 DGCDMO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2nnc([C@H](C)CC)[nH]2)c1 ZINC000277442272 432850634 /nfs/dbraw/zinc/85/06/34/432850634.db2.gz OKIIOJJHGFIRRG-NEPJUHHUSA-N 1 1 318.421 3.273 20 10 DGCDMO COCC[N@@H+](Cc1ccccn1)Cc1cc(C)c(C)cc1O ZINC000289668548 432971526 /nfs/dbraw/zinc/97/15/26/432971526.db2.gz DGTFTPRORICTBJ-UHFFFAOYSA-N 1 1 300.402 3.053 20 10 DGCDMO CC[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(F)cc1O ZINC000289749758 432972602 /nfs/dbraw/zinc/97/26/02/432972602.db2.gz LAVSRYCRNVMLPD-AWEZNQCLSA-N 1 1 303.381 3.233 20 10 DGCDMO C[NH+](C)C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000290192252 433009267 /nfs/dbraw/zinc/00/92/67/433009267.db2.gz TUTOIPMMPHJTLV-SFHVURJKSA-N 1 1 314.404 3.153 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000290826750 433181292 /nfs/dbraw/zinc/18/12/92/433181292.db2.gz HERMFQUSRCMAAU-QZTJIDSGSA-N 1 1 317.429 3.324 20 10 DGCDMO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414152568 433429313 /nfs/dbraw/zinc/42/93/13/433429313.db2.gz QMJXSOTXMICCJH-AWEZNQCLSA-N 1 1 308.429 3.480 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000375298048 433419165 /nfs/dbraw/zinc/41/91/65/433419165.db2.gz QQLZPSASNYVMTP-KRWDZBQOSA-N 1 1 305.418 3.182 20 10 DGCDMO C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000292881515 433602203 /nfs/dbraw/zinc/60/22/03/433602203.db2.gz XRIMDZSVWBQXDN-HNNXBMFYSA-N 1 1 315.244 3.227 20 10 DGCDMO C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000292881515 433602208 /nfs/dbraw/zinc/60/22/08/433602208.db2.gz XRIMDZSVWBQXDN-HNNXBMFYSA-N 1 1 315.244 3.227 20 10 DGCDMO C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000292881515 433602216 /nfs/dbraw/zinc/60/22/16/433602216.db2.gz XRIMDZSVWBQXDN-HNNXBMFYSA-N 1 1 315.244 3.227 20 10 DGCDMO C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000292881515 433602222 /nfs/dbraw/zinc/60/22/22/433602222.db2.gz XRIMDZSVWBQXDN-HNNXBMFYSA-N 1 1 315.244 3.227 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C(N)=O)c1ccccc1 ZINC000282488606 433613336 /nfs/dbraw/zinc/61/33/36/433613336.db2.gz POFYHOSWHIAESK-GOSISDBHSA-N 1 1 312.413 3.221 20 10 DGCDMO CCCC[N@H+](Cc1nc([C@H](C)OC)no1)Cc1ccccc1O ZINC000282545949 433616214 /nfs/dbraw/zinc/61/62/14/433616214.db2.gz WMMVTYZQFZEGGM-ZDUSSCGKSA-N 1 1 319.405 3.285 20 10 DGCDMO CCCC[N@@H+](Cc1nc([C@H](C)OC)no1)Cc1ccccc1O ZINC000282545949 433616223 /nfs/dbraw/zinc/61/62/23/433616223.db2.gz WMMVTYZQFZEGGM-ZDUSSCGKSA-N 1 1 319.405 3.285 20 10 DGCDMO CCCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)c(O)c1 ZINC000293661034 433822019 /nfs/dbraw/zinc/82/20/19/433822019.db2.gz NXPACNWRBZZWOI-IBGZPJMESA-N 1 1 318.461 3.099 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)c(O)c1 ZINC000293661034 433822025 /nfs/dbraw/zinc/82/20/25/433822025.db2.gz NXPACNWRBZZWOI-IBGZPJMESA-N 1 1 318.461 3.099 20 10 DGCDMO CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000377058311 433847496 /nfs/dbraw/zinc/84/74/96/433847496.db2.gz WABITVSAVDXUHU-KRWDZBQOSA-N 1 1 316.445 3.148 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)ccc1N(C)C ZINC000293815575 433878242 /nfs/dbraw/zinc/87/82/42/433878242.db2.gz ONVSRODZTSLWJH-BEFAXECRSA-N 1 1 312.461 3.341 20 10 DGCDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000377891012 434029410 /nfs/dbraw/zinc/02/94/10/434029410.db2.gz ZTDZMPWYAPZYIL-SFHVURJKSA-N 1 1 324.472 3.400 20 10 DGCDMO Cc1nc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)cs1 ZINC000294253448 434058121 /nfs/dbraw/zinc/05/81/21/434058121.db2.gz NMJNJEVAPWTLEA-UHFFFAOYSA-N 1 1 300.786 3.282 20 10 DGCDMO CC[N@@H+](Cc1cnn(CC(F)F)c1)Cc1ccc(N(C)C)cc1 ZINC000294827643 434147591 /nfs/dbraw/zinc/14/75/91/434147591.db2.gz GUDRETDOKQNWKK-UHFFFAOYSA-N 1 1 322.403 3.236 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C)[C@H](CO)c2ccccc2)c1O ZINC000294959188 434156126 /nfs/dbraw/zinc/15/61/26/434156126.db2.gz DQAYXRDXGRPUOZ-OAHLLOKOSA-N 1 1 321.804 3.220 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+]C2(C3CC3)CCOCC2)c1O ZINC000367567065 434550531 /nfs/dbraw/zinc/55/05/31/434550531.db2.gz UBAHDELCRGEONG-UHFFFAOYSA-N 1 1 323.820 3.297 20 10 DGCDMO C[C@H]([NH2+]CC12CC(C1)CO2)c1cccc(C(F)(F)F)c1O ZINC000527980218 435018970 /nfs/dbraw/zinc/01/89/70/435018970.db2.gz MVPJVBMGHXGPOV-IPWFMCSPSA-N 1 1 301.308 3.241 20 10 DGCDMO CCOC[C@@H]1C[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000530105983 435042503 /nfs/dbraw/zinc/04/25/03/435042503.db2.gz JZYCMNUBHONWJN-INIZCTEOSA-N 1 1 321.461 3.235 20 10 DGCDMO C[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CCSC1 ZINC000130478924 523162317 /nfs/dbraw/zinc/16/23/17/523162317.db2.gz OQXYYUBRWNSPTH-NSHDSACASA-N 1 1 302.237 3.092 20 10 DGCDMO OCC[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000293673387 335114897 /nfs/dbraw/zinc/11/48/97/335114897.db2.gz QUFNVBANZTVAIM-CYBMUJFWSA-N 1 1 323.795 3.441 20 10 DGCDMO CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000527801110 337764929 /nfs/dbraw/zinc/76/49/29/337764929.db2.gz ROOJRGVRJDJULF-OCCSQVGLSA-N 1 1 314.223 3.200 20 10 DGCDMO COc1cc(C[N@@H+](Cc2cc(F)ccc2O)C2CC2)ccc1O ZINC000190015134 522358610 /nfs/dbraw/zinc/35/86/10/522358610.db2.gz FYLPDQLBWMXDOA-UHFFFAOYSA-N 1 1 317.360 3.410 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)Cc2cc(Cl)cn2C)cc1OC ZINC000160392679 522774026 /nfs/dbraw/zinc/77/40/26/522774026.db2.gz AHPJXIQKGBSUPQ-UHFFFAOYSA-N 1 1 324.808 3.033 20 10 DGCDMO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000180024378 524740878 /nfs/dbraw/zinc/74/08/78/524740878.db2.gz COPBMBARORTQFO-GOSISDBHSA-N 1 1 317.360 3.113 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000180024378 524740883 /nfs/dbraw/zinc/74/08/83/524740883.db2.gz COPBMBARORTQFO-GOSISDBHSA-N 1 1 317.360 3.113 20 10 DGCDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000272296064 534890151 /nfs/dbraw/zinc/89/01/51/534890151.db2.gz OWEJROBVDVNZFR-ZDUSSCGKSA-N 1 1 324.396 3.020 20 10 DGCDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000272296064 534890152 /nfs/dbraw/zinc/89/01/52/534890152.db2.gz OWEJROBVDVNZFR-ZDUSSCGKSA-N 1 1 324.396 3.020 20 10 DGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000180766104 526326734 /nfs/dbraw/zinc/32/67/34/526326734.db2.gz FFESWHLGOBAHRX-DYVFJYSZSA-N 1 1 320.864 3.494 20 10 DGCDMO [O-]c1c(Cl)cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180766104 526326742 /nfs/dbraw/zinc/32/67/42/526326742.db2.gz FFESWHLGOBAHRX-DYVFJYSZSA-N 1 1 320.864 3.494 20 10 DGCDMO [O-]c1c(Cl)cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180766104 526326747 /nfs/dbraw/zinc/32/67/47/526326747.db2.gz FFESWHLGOBAHRX-DYVFJYSZSA-N 1 1 320.864 3.494 20 10 DGCDMO Oc1cccc(Cl)c1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000129474296 526362984 /nfs/dbraw/zinc/36/29/84/526362984.db2.gz RZDNUUJYPROPPC-UHFFFAOYSA-N 1 1 322.758 3.116 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000129474296 526362990 /nfs/dbraw/zinc/36/29/90/526362990.db2.gz RZDNUUJYPROPPC-UHFFFAOYSA-N 1 1 322.758 3.116 20 10 DGCDMO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cccc(C)c1O)C2 ZINC000179820281 527085800 /nfs/dbraw/zinc/08/58/00/527085800.db2.gz KOSLKEWLBQFMJQ-UHFFFAOYSA-N 1 1 310.397 3.217 20 10 DGCDMO OC[C@]1([NH2+]Cc2c(O)ccc(Cl)c2F)CCc2ccccc21 ZINC000365169230 527628036 /nfs/dbraw/zinc/62/80/36/527628036.db2.gz ISMNAEJUJYGBJS-QGZVFWFLSA-N 1 1 321.779 3.108 20 10 DGCDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177356056 527816874 /nfs/dbraw/zinc/81/68/74/527816874.db2.gz NSHRFKJBSAKXAX-ZDUSSCGKSA-N 1 1 324.852 3.022 20 10 DGCDMO CCC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CCOCC1 ZINC000273588379 535297800 /nfs/dbraw/zinc/29/78/00/535297800.db2.gz OLPXCJXTVVFSSV-CYBMUJFWSA-N 1 1 321.417 3.036 20 10 DGCDMO 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CCN(C)c1ccc([C@@H](C)NC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925779998 618617506 /nfs/dbraw/zinc/61/75/06/618617506.db2.gz DDGXGXMXQBJNHJ-UKRRQHHQSA-N 1 1 311.420 3.038 20 10 DGCDMO CCN(C)c1ccc([C@H](C)NC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925779999 618617590 /nfs/dbraw/zinc/61/75/90/618617590.db2.gz DDGXGXMXQBJNHJ-ZFWWWQNUSA-N 1 1 311.420 3.038 20 10 DGCDMO COC1([C@@H](C)[NH2+]Cc2cccc(Br)c2O)CCC1 ZINC000840970143 618646590 /nfs/dbraw/zinc/64/65/90/618646590.db2.gz QMAMDQZEBMEPTA-SNVBAGLBSA-N 1 1 314.223 3.202 20 10 DGCDMO CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893967139 618684456 /nfs/dbraw/zinc/68/44/56/618684456.db2.gz IYPALPWQUIBXEW-UHFFFAOYSA-N 1 1 312.404 3.223 20 10 DGCDMO COc1cc(C)cc(CNC2CC[NH+](C(C)(C)C)CC2)c1O ZINC000894195927 618727202 /nfs/dbraw/zinc/72/72/02/618727202.db2.gz QELFMSKVVIOIAL-UHFFFAOYSA-N 1 1 306.450 3.062 20 10 DGCDMO COc1cc(C)cc(C[NH2+]C2CCN(C(C)(C)C)CC2)c1O ZINC000894195927 618727206 /nfs/dbraw/zinc/72/72/06/618727206.db2.gz QELFMSKVVIOIAL-UHFFFAOYSA-N 1 1 306.450 3.062 20 10 DGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCCn2nncc2C1 ZINC000895757738 618827585 /nfs/dbraw/zinc/82/75/85/618827585.db2.gz YUWVHJFWLHQUHR-UHFFFAOYSA-N 1 1 320.396 3.057 20 10 DGCDMO CN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000895756312 618827823 /nfs/dbraw/zinc/82/78/23/618827823.db2.gz VAQUPLSVBWSVRK-IEBWSBKVSA-N 1 1 324.424 3.044 20 10 DGCDMO COc1ccc(C[NH2+][C@H](CF)c2ccc(F)cc2)c(O)c1OC ZINC000895854789 618842447 /nfs/dbraw/zinc/84/24/47/618842447.db2.gz XEWSZZPHJVFPFM-CQSZACIVSA-N 1 1 323.339 3.349 20 10 DGCDMO COC1(OC)CC2(C[N@@H+](Cc3cc(C)ccc3O)[C@H]2C(C)C)C1 ZINC000895988159 618857882 /nfs/dbraw/zinc/85/78/82/618857882.db2.gz AHLMZERDDIYNMC-KRWDZBQOSA-N 1 1 319.445 3.310 20 10 DGCDMO COC1(OC)CC2(C[N@@H+](Cc3cccc(C)c3O)[C@H]2C(C)C)C1 ZINC000895989610 618858111 /nfs/dbraw/zinc/85/81/11/618858111.db2.gz MGFQSCQESSPHED-KRWDZBQOSA-N 1 1 319.445 3.310 20 10 DGCDMO Oc1cccc(F)c1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000896636484 618939427 /nfs/dbraw/zinc/93/94/27/618939427.db2.gz DEFFEESUYCFFPD-UHFFFAOYSA-N 1 1 317.389 3.408 20 10 DGCDMO Oc1cccc(F)c1C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000896637629 618939843 /nfs/dbraw/zinc/93/98/43/618939843.db2.gz FTSLSLAGWYTURS-UHFFFAOYSA-N 1 1 320.311 3.382 20 10 DGCDMO CCOc1ccc(C[NH2+]Cc2c(O)cccc2F)cc1OC ZINC000896640226 618940026 /nfs/dbraw/zinc/94/00/26/618940026.db2.gz HCGBLELRGMYJBD-UHFFFAOYSA-N 1 1 305.349 3.228 20 10 DGCDMO Cc1cc(C[NH2+]Cc2c(O)cccc2F)c2c(n1)CCCC2 ZINC000896641735 618940446 /nfs/dbraw/zinc/94/04/46/618940446.db2.gz VMUFXTWNGGJPOJ-UHFFFAOYSA-N 1 1 300.377 3.403 20 10 DGCDMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000896984531 618998871 /nfs/dbraw/zinc/99/88/71/618998871.db2.gz LEUMXGGLTOZHMJ-CQSZACIVSA-N 1 1 320.433 3.129 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000897081074 619012385 /nfs/dbraw/zinc/01/23/85/619012385.db2.gz JHTAVQXNUCXNCD-BZNIZROVSA-N 1 1 313.800 3.480 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000897298721 619048139 /nfs/dbraw/zinc/04/81/39/619048139.db2.gz HLIODYGVKMNQJP-ZDUSSCGKSA-N 1 1 318.442 3.230 20 10 DGCDMO CCn1cnc2c1CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C2 ZINC000897333650 619061826 /nfs/dbraw/zinc/06/18/26/619061826.db2.gz IZDSMERUIWEAQZ-WAYWQWQTSA-N 1 1 310.445 3.041 20 10 DGCDMO CCn1cnc2c1CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C2 ZINC000897333650 619061828 /nfs/dbraw/zinc/06/18/28/619061828.db2.gz IZDSMERUIWEAQZ-WAYWQWQTSA-N 1 1 310.445 3.041 20 10 DGCDMO CCNC(=O)C1(C[NH2+][C@H](C)c2ccc(Cl)cc2O)CCC1 ZINC000841754094 619156163 /nfs/dbraw/zinc/15/61/63/619156163.db2.gz YUYQXZZYSRLEEP-LLVKDONJSA-N 1 1 310.825 3.003 20 10 DGCDMO CCOCc1cc(CNC[C@@H]([NH3+])c2ccccc2)ccc1OC ZINC000841035564 619172832 /nfs/dbraw/zinc/17/28/32/619172832.db2.gz IFRNCYPVVSBNGM-GOSISDBHSA-N 1 1 314.429 3.021 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c1O ZINC000898067881 619211101 /nfs/dbraw/zinc/21/11/01/619211101.db2.gz IOUCMYJKUOUHOB-CYBMUJFWSA-N 1 1 302.443 3.476 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1O ZINC000898070965 619212527 /nfs/dbraw/zinc/21/25/27/619212527.db2.gz CGNPDCDIEWJELL-ZDUSSCGKSA-N 1 1 318.442 3.312 20 10 DGCDMO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccn1 ZINC000898449662 619276228 /nfs/dbraw/zinc/27/62/28/619276228.db2.gz IQJNPURZZTXIRE-KXBFYZLASA-N 1 1 312.461 3.101 20 10 DGCDMO COc1cccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000898516209 619283046 /nfs/dbraw/zinc/28/30/46/619283046.db2.gz NZAZILZDBKMSMR-GOEBONIOSA-N 1 1 305.418 3.039 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000898516595 619283668 /nfs/dbraw/zinc/28/36/68/619283668.db2.gz VDRJHUHEZXTJEP-HUUCEWRRSA-N 1 1 305.418 3.039 20 10 DGCDMO C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1O ZINC000903238949 619742151 /nfs/dbraw/zinc/74/21/51/619742151.db2.gz CDYCWWUSRCEWIU-NSHDSACASA-N 1 1 324.396 3.239 20 10 DGCDMO C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1c(O)cccc1F ZINC000903238108 619742237 /nfs/dbraw/zinc/74/22/37/619742237.db2.gz DWJRNXIRLKEGAJ-LLVKDONJSA-N 1 1 324.396 3.239 20 10 DGCDMO C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccc(F)cc1O ZINC000903240552 619743035 /nfs/dbraw/zinc/74/30/35/619743035.db2.gz UEOYFGODNYMADU-GFCCVEGCSA-N 1 1 303.381 3.379 20 10 DGCDMO C[C@@H]([NH2+]Cc1cn(C)cn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000903351108 619763368 /nfs/dbraw/zinc/76/33/68/619763368.db2.gz HQHYVJMSOOTCRY-CQSZACIVSA-N 1 1 316.424 3.400 20 10 DGCDMO CC[C@@H]([NH2+][C@@H]1CC[C@H](CC(=O)OC)C1)c1ccc(F)cc1O ZINC000903451787 619779046 /nfs/dbraw/zinc/77/90/46/619779046.db2.gz YMCWHMOZAGSJIV-NJZAAPMLSA-N 1 1 309.381 3.304 20 10 DGCDMO CCS[C@@H]1CCCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000153114321 620533966 /nfs/dbraw/zinc/53/39/66/620533966.db2.gz MBYLSTAEUCVRJZ-CYBMUJFWSA-N 1 1 309.431 3.229 20 10 DGCDMO CC[N@@H+](Cc1cnc2ccccn12)Cc1ccc(N(C)C)cc1 ZINC000153333454 620551559 /nfs/dbraw/zinc/55/15/59/620551559.db2.gz XJOCWVBPOYJRFJ-UHFFFAOYSA-N 1 1 308.429 3.422 20 10 DGCDMO COC[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000112962185 620867967 /nfs/dbraw/zinc/86/79/67/620867967.db2.gz AUANQZSQICSSDV-AWEZNQCLSA-N 1 1 315.413 3.412 20 10 DGCDMO Cc1nn(C)c(C[NH2+]Cc2ccc3c(c2)CCCN3C)c1Cl ZINC000921626010 620917753 /nfs/dbraw/zinc/91/77/53/620917753.db2.gz VTXSWTAFKHVIGB-UHFFFAOYSA-N 1 1 318.852 3.054 20 10 DGCDMO Cc1cccn2cc(C[NH2+]Cc3ccc4c(c3)CCCO4)nc12 ZINC000921757841 620945548 /nfs/dbraw/zinc/94/55/48/620945548.db2.gz ADSHEFIDVCSISD-UHFFFAOYSA-N 1 1 307.397 3.258 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(Br)c(F)cc1O ZINC000756354390 620959909 /nfs/dbraw/zinc/95/99/09/620959909.db2.gz AAWFCEJQEUXFDM-IUCAKERBSA-N 1 1 318.186 3.123 20 10 DGCDMO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)[nH]1 ZINC000922053344 620984036 /nfs/dbraw/zinc/98/40/36/620984036.db2.gz GJXNAAJGBVLXCE-OLZOCXBDSA-N 1 1 314.433 3.494 20 10 DGCDMO CCOc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c(O)c1 ZINC000922524515 621050946 /nfs/dbraw/zinc/05/09/46/621050946.db2.gz DPKMYQFECDRNKW-QAPCUYQASA-N 1 1 317.360 3.352 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)cc1F ZINC000857061897 621052817 /nfs/dbraw/zinc/05/28/17/621052817.db2.gz WIQPMBMSOPGPBK-GOEBONIOSA-N 1 1 308.441 3.122 20 10 DGCDMO COC(C)(C)[C@@H](C)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000922582047 621061246 /nfs/dbraw/zinc/06/12/46/621061246.db2.gz RWRBNVSQOLGSIC-SNVBAGLBSA-N 1 1 316.239 3.366 20 10 DGCDMO Cc1cnc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c(C)c1 ZINC000922737607 621090666 /nfs/dbraw/zinc/09/06/66/621090666.db2.gz OSWFBVAKRWSKMG-UHFFFAOYSA-N 1 1 305.372 3.332 20 10 DGCDMO CCCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000857757967 621118056 /nfs/dbraw/zinc/11/80/56/621118056.db2.gz YRBVNLFMPNCOOY-MRXNPFEDSA-N 1 1 319.493 3.269 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857868855 621125218 /nfs/dbraw/zinc/12/52/18/621125218.db2.gz DXXIYUIJDWXHOL-KSSFIOAISA-N 1 1 312.461 3.382 20 10 DGCDMO C[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000857874306 621126429 /nfs/dbraw/zinc/12/64/29/621126429.db2.gz OECSNBHJEDJCEJ-KUHUBIRLSA-N 1 1 323.440 3.117 20 10 DGCDMO CN(C)c1cc(F)c(C[NH2+]Cc2cccc3c2OCC3)cc1F ZINC000922942324 621134115 /nfs/dbraw/zinc/13/41/15/621134115.db2.gz UDKBXQHPIMLMML-UHFFFAOYSA-N 1 1 318.367 3.256 20 10 DGCDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC000858010710 621143694 /nfs/dbraw/zinc/14/36/94/621143694.db2.gz FKEGSIABYVQBOM-HNNXBMFYSA-N 1 1 318.804 3.402 20 10 DGCDMO CN(C)c1cc(F)c(C[NH2+]Cc2ccc(O)c(F)c2)cc1F ZINC000858143790 621157337 /nfs/dbraw/zinc/15/73/37/621157337.db2.gz WKWIUCZLBOCDIR-UHFFFAOYSA-N 1 1 310.319 3.165 20 10 DGCDMO CC(C)CC[C@@H](CO)[NH2+]Cc1cccc(Br)c1O ZINC000858241286 621167232 /nfs/dbraw/zinc/16/72/32/621167232.db2.gz NZNJAHVLIQQNAU-LBPRGKRZSA-N 1 1 316.239 3.041 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000858244132 621167934 /nfs/dbraw/zinc/16/79/34/621167934.db2.gz ACXLBXDTXNRLCL-SFHVURJKSA-N 1 1 303.494 3.354 20 10 DGCDMO CCN(CC)c1ccc(CNC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000858244132 621167936 /nfs/dbraw/zinc/16/79/36/621167936.db2.gz ACXLBXDTXNRLCL-SFHVURJKSA-N 1 1 303.494 3.354 20 10 DGCDMO CCN(CC)c1ccc(CNC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000858244132 621167938 /nfs/dbraw/zinc/16/79/38/621167938.db2.gz ACXLBXDTXNRLCL-SFHVURJKSA-N 1 1 303.494 3.354 20 10 DGCDMO COc1nccnc1C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000858294911 621172409 /nfs/dbraw/zinc/17/24/09/621172409.db2.gz QYMRKTOEMAIALO-UHFFFAOYSA-N 1 1 322.412 3.183 20 10 DGCDMO CCC[C@H](C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)OCC ZINC000858450690 621193086 /nfs/dbraw/zinc/19/30/86/621193086.db2.gz HOISJGDTOXDDGY-GXTWGEPZSA-N 1 1 309.406 3.035 20 10 DGCDMO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000858508359 621200294 /nfs/dbraw/zinc/20/02/94/621200294.db2.gz MYYYXYHXWLLBBS-GXFFZTMASA-N 1 1 309.793 3.348 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc[nH]c1=O)c1cccc(C(F)(F)F)c1O ZINC000858562603 621204826 /nfs/dbraw/zinc/20/48/26/621204826.db2.gz FMUASCMVMRNBML-VIFPVBQESA-N 1 1 312.291 3.362 20 10 DGCDMO COC(=O)CCCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000859139414 621252531 /nfs/dbraw/zinc/25/25/31/621252531.db2.gz NJYVUMCYCTXQMH-UHFFFAOYSA-N 1 1 305.418 3.480 20 10 DGCDMO CCO[C@@H](C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000859191131 621258705 /nfs/dbraw/zinc/25/87/05/621258705.db2.gz WQKXZRNMAFJBKC-HKUYNNGSSA-N 1 1 319.445 3.188 20 10 DGCDMO CC(=O)c1cc(F)cc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c1O ZINC000859411807 621275392 /nfs/dbraw/zinc/27/53/92/621275392.db2.gz NHERVUJFKZDDMG-NXEZZACHSA-N 1 1 315.335 3.457 20 10 DGCDMO CCCC[N@@H+](CCC(=O)N1CCCC1)Cc1ccccc1O ZINC000838983265 621310835 /nfs/dbraw/zinc/31/08/35/621310835.db2.gz NLSLDVIOQWOZFR-UHFFFAOYSA-N 1 1 304.434 3.007 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC000839193162 621347794 /nfs/dbraw/zinc/34/77/94/621347794.db2.gz ZCYLQKBDLPWABS-SNVBAGLBSA-N 1 1 324.222 3.047 20 10 DGCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000753592355 621452441 /nfs/dbraw/zinc/45/24/41/621452441.db2.gz SELVYLFTDJPXBK-HNNXBMFYSA-N 1 1 305.324 3.324 20 10 DGCDMO Oc1c(F)cccc1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000753592355 621452442 /nfs/dbraw/zinc/45/24/42/621452442.db2.gz SELVYLFTDJPXBK-HNNXBMFYSA-N 1 1 305.324 3.324 20 10 DGCDMO Oc1ccccc1C[N@@H+](CC[C@H]1CCCCO1)C[C@H]1CCCO1 ZINC000754070160 621484768 /nfs/dbraw/zinc/48/47/68/621484768.db2.gz WVQKHSUGRJFTFD-QZTJIDSGSA-N 1 1 319.445 3.332 20 10 DGCDMO Oc1ccccc1C[N@@H+](CC[C@@H]1CCCCO1)C[C@H]1CCCO1 ZINC000754070164 621484855 /nfs/dbraw/zinc/48/48/55/621484855.db2.gz WVQKHSUGRJFTFD-ZWKOTPCHSA-N 1 1 319.445 3.332 20 10 DGCDMO COc1cc(C[NH+]2CCN(C(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000754723525 621528131 /nfs/dbraw/zinc/52/81/31/621528131.db2.gz OGOBNMOTZNBCHI-UHFFFAOYSA-N 1 1 320.477 3.224 20 10 DGCDMO COc1cc(C[N@H+](C)Cc2cc[nH]n2)c(O)c(C(C)(C)C)c1 ZINC000754726281 621528308 /nfs/dbraw/zinc/52/83/08/621528308.db2.gz NDBGEAMZFHHARH-UHFFFAOYSA-N 1 1 303.406 3.053 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2cc[nH]n2)c(O)c(C(C)(C)C)c1 ZINC000754726281 621528310 /nfs/dbraw/zinc/52/83/10/621528310.db2.gz NDBGEAMZFHHARH-UHFFFAOYSA-N 1 1 303.406 3.053 20 10 DGCDMO COC[C@H]1CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000754739847 621530218 /nfs/dbraw/zinc/53/02/18/621530218.db2.gz CIFBDQMIQNNMOC-ZDUSSCGKSA-N 1 1 307.434 3.167 20 10 DGCDMO CC[N@H+](Cc1c(O)cccc1Br)C[C@H]1CCOC1 ZINC000862224477 621563931 /nfs/dbraw/zinc/56/39/31/621563931.db2.gz XTVBQYPTQOTJBJ-LLVKDONJSA-N 1 1 314.223 3.013 20 10 DGCDMO C[C@H]1CSCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862344477 621576531 /nfs/dbraw/zinc/57/65/31/621576531.db2.gz SYEDZCKOWORPNL-LLVKDONJSA-N 1 1 300.418 3.216 20 10 DGCDMO CN(C)c1cc(F)c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000862364998 621578816 /nfs/dbraw/zinc/57/88/16/621578816.db2.gz JRGCPWVZLYGESD-YIONKMFJSA-N 1 1 323.431 3.088 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c1O ZINC000862482654 621593896 /nfs/dbraw/zinc/59/38/96/621593896.db2.gz KNQKZUVBCLDMGZ-HXUWFJFHSA-N 1 1 311.425 3.438 20 10 DGCDMO C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000862483040 621594348 /nfs/dbraw/zinc/59/43/48/621594348.db2.gz NWPRVKASDNXRRB-LLVKDONJSA-N 1 1 300.805 3.006 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000862540156 621598190 /nfs/dbraw/zinc/59/81/90/621598190.db2.gz AJGLTOOMMQVNDM-HNNXBMFYSA-N 1 1 313.397 3.486 20 10 DGCDMO Cc1ccc(O)c(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000862756960 621613641 /nfs/dbraw/zinc/61/36/41/621613641.db2.gz BVIBXBLTRGBLGE-QGZVFWFLSA-N 1 1 316.445 3.114 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cc(F)cc(F)c1O ZINC000756352496 621630212 /nfs/dbraw/zinc/63/02/12/621630212.db2.gz TYYXZCAGDJMADZ-PWSUYJOCSA-N 1 1 321.323 3.161 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCSC(F)(F)F)c1 ZINC000756443004 621638980 /nfs/dbraw/zinc/63/89/80/621638980.db2.gz RQVDYVTXOZLHMN-MRVPVSSYSA-N 1 1 323.336 3.082 20 10 DGCDMO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc(F)cc(F)c1O ZINC000756455725 621639438 /nfs/dbraw/zinc/63/94/38/621639438.db2.gz ASAMIKGOIRVRID-VFZGTOFNSA-N 1 1 311.303 3.194 20 10 DGCDMO COc1ccc(O)c([C@H](C)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000756454358 621639669 /nfs/dbraw/zinc/63/96/69/621639669.db2.gz MBLVPGBGKYUZDG-JONQDZQNSA-N 1 1 320.477 3.418 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCCOC1)c1cc(Br)c(F)cc1O ZINC000756554728 621647956 /nfs/dbraw/zinc/64/79/56/621647956.db2.gz JACHUVCVQJAORZ-DTWKUNHWSA-N 1 1 318.186 3.123 20 10 DGCDMO CCC[C@H](O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756578000 621650694 /nfs/dbraw/zinc/65/06/94/621650694.db2.gz UQHLDGIBLCRITA-BDAKNGLRSA-N 1 1 320.202 3.105 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@H](SC)C2)c1 ZINC000756610533 621652743 /nfs/dbraw/zinc/65/27/43/621652743.db2.gz PGTTWKVDGNUNSK-DRZSPHRISA-N 1 1 309.431 3.114 20 10 DGCDMO CCSCC[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756618413 621653080 /nfs/dbraw/zinc/65/30/80/621653080.db2.gz PXNGTRYJTVLFFP-NEPJUHHUSA-N 1 1 311.447 3.361 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000756625385 621653562 /nfs/dbraw/zinc/65/35/62/621653562.db2.gz KAAFRRRCVLKHEO-POHZPAGDSA-N 1 1 321.417 3.033 20 10 DGCDMO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc(F)cc(F)c1O ZINC000756711864 621659792 /nfs/dbraw/zinc/65/97/92/621659792.db2.gz MUBOJBPTUODVBV-RFAUZJTJSA-N 1 1 311.303 3.194 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1O ZINC000756900524 621671536 /nfs/dbraw/zinc/67/15/36/621671536.db2.gz FKTDVKQLVXLGOT-LRDDRELGSA-N 1 1 323.820 3.249 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1O ZINC000756900524 621671538 /nfs/dbraw/zinc/67/15/38/621671538.db2.gz FKTDVKQLVXLGOT-LRDDRELGSA-N 1 1 323.820 3.249 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)Cc2ccccn2)c1 ZINC000757891119 621745272 /nfs/dbraw/zinc/74/52/72/621745272.db2.gz VTBRJBZPSZOYJT-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)Cc2ccccn2)c1 ZINC000757891119 621745274 /nfs/dbraw/zinc/74/52/74/621745274.db2.gz VTBRJBZPSZOYJT-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)CC(C)(C)OC)c2c1 ZINC000758412263 621780959 /nfs/dbraw/zinc/78/09/59/621780959.db2.gz NXPSWVCHQPBCEF-UHFFFAOYSA-N 1 1 303.402 3.411 20 10 DGCDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000759788054 621890267 /nfs/dbraw/zinc/89/02/67/621890267.db2.gz ZJIPKFFVERRLIS-UHFFFAOYSA-N 1 1 321.465 3.099 20 10 DGCDMO CN(C)c1ccc(CN(CC[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000759846396 621895839 /nfs/dbraw/zinc/89/58/39/621895839.db2.gz UCUMPRZESRGLQU-SFHVURJKSA-N 1 1 301.478 3.201 20 10 DGCDMO CN(C)c1ccc(CN(CC[C@@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000759846396 621895843 /nfs/dbraw/zinc/89/58/43/621895843.db2.gz UCUMPRZESRGLQU-SFHVURJKSA-N 1 1 301.478 3.201 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c1 ZINC000761216198 621995306 /nfs/dbraw/zinc/99/53/06/621995306.db2.gz MRZQUXCFOAUGPY-UHFFFAOYSA-N 1 1 318.461 3.170 20 10 DGCDMO C[N@@H+](CCc1ccccn1)Cc1cccc(Br)c1[O-] ZINC000120822550 622024238 /nfs/dbraw/zinc/02/42/38/622024238.db2.gz XLIOYOMZDGMFQQ-UHFFFAOYSA-N 1 1 321.218 3.224 20 10 DGCDMO C[N@H+](CCc1ccccn1)Cc1cccc(Br)c1O ZINC000120822550 622024242 /nfs/dbraw/zinc/02/42/42/622024242.db2.gz XLIOYOMZDGMFQQ-UHFFFAOYSA-N 1 1 321.218 3.224 20 10 DGCDMO C[N@@H+](CCc1ccccn1)Cc1cccc(Br)c1O ZINC000120822550 622024244 /nfs/dbraw/zinc/02/42/44/622024244.db2.gz XLIOYOMZDGMFQQ-UHFFFAOYSA-N 1 1 321.218 3.224 20 10 DGCDMO Cc1ccnc(N2CC[NH+](Cc3c(O)cccc3Cl)CC2)c1 ZINC000120909171 622047255 /nfs/dbraw/zinc/04/72/55/622047255.db2.gz FWCCUCINFVZFPC-UHFFFAOYSA-N 1 1 317.820 3.071 20 10 DGCDMO CC[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(F)cc1O ZINC000866530999 622132730 /nfs/dbraw/zinc/13/27/30/622132730.db2.gz DAGZRMPQADCXHA-ZBFHGGJFSA-N 1 1 323.408 3.158 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(F)cc1O ZINC000866530996 622132793 /nfs/dbraw/zinc/13/27/93/622132793.db2.gz DAGZRMPQADCXHA-GDBMZVCRSA-N 1 1 323.408 3.158 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1O ZINC000866638830 622152225 /nfs/dbraw/zinc/15/22/25/622152225.db2.gz LYFYOKCYXBNCON-WQAKAFBOSA-N 1 1 303.324 3.365 20 10 DGCDMO Cc1cc(NCc2cccc(Br)c2O)nc(C)[nH+]1 ZINC000764934047 622233974 /nfs/dbraw/zinc/23/39/74/622233974.db2.gz IEJIAEOPOHJSGR-UHFFFAOYSA-N 1 1 308.179 3.174 20 10 DGCDMO Oc1c(Br)cccc1CNc1[nH+]cnc2[nH]ccc21 ZINC000764934044 622234067 /nfs/dbraw/zinc/23/40/67/622234067.db2.gz HYXJENIFJYSMJS-UHFFFAOYSA-N 1 1 319.162 3.038 20 10 DGCDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1[NH3+] ZINC000122268883 622275254 /nfs/dbraw/zinc/27/52/54/622275254.db2.gz RMBLKQAFSIOOPO-RNCFNFMXSA-N 1 1 303.233 3.258 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@H]1[NH3+] ZINC000122268883 622275256 /nfs/dbraw/zinc/27/52/56/622275256.db2.gz RMBLKQAFSIOOPO-RNCFNFMXSA-N 1 1 303.233 3.258 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cscn1 ZINC000768099054 622438408 /nfs/dbraw/zinc/43/84/08/622438408.db2.gz WBHJMZQVYZHAHM-KBPBESRZSA-N 1 1 317.458 3.392 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnc(N)s2)cc1 ZINC000768207970 622445660 /nfs/dbraw/zinc/44/56/60/622445660.db2.gz LCUDWMAVERBJKG-UHFFFAOYSA-N 1 1 304.463 3.204 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000768246618 622447602 /nfs/dbraw/zinc/44/76/02/622447602.db2.gz YULWIIHOJASWKK-NRFANRHFSA-N 1 1 323.484 3.459 20 10 DGCDMO CN(C)c1ccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000768246618 622447604 /nfs/dbraw/zinc/44/76/04/622447604.db2.gz YULWIIHOJASWKK-NRFANRHFSA-N 1 1 323.484 3.459 20 10 DGCDMO CN(C)c1ccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000768246618 622447606 /nfs/dbraw/zinc/44/76/06/622447606.db2.gz YULWIIHOJASWKK-NRFANRHFSA-N 1 1 323.484 3.459 20 10 DGCDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439051 622456155 /nfs/dbraw/zinc/45/61/55/622456155.db2.gz YVTPZGPBKCAVSP-MRXNPFEDSA-N 1 1 319.788 3.103 20 10 DGCDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000768443050 622456477 /nfs/dbraw/zinc/45/64/77/622456477.db2.gz YBQMOZWONSGMHX-YOEHRIQHSA-N 1 1 324.424 3.145 20 10 DGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(OC)c(C)cc2O)C12CCC2 ZINC000768461933 622457421 /nfs/dbraw/zinc/45/74/21/622457421.db2.gz HQVFRXNYLMAXRV-ROUUACIJSA-N 1 1 319.445 3.489 20 10 DGCDMO CC(C)C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC(C)(C)C ZINC000768461784 622457508 /nfs/dbraw/zinc/45/75/08/622457508.db2.gz DOSPEHZXQBGNRG-MRXNPFEDSA-N 1 1 307.434 3.322 20 10 DGCDMO COc1cc(C[N@@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c(O)cc1C ZINC000768464888 622458064 /nfs/dbraw/zinc/45/80/64/622458064.db2.gz BYYIQSBONMXTDO-FUHWJXTLSA-N 1 1 307.434 3.345 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1c1ccccc1 ZINC000768465606 622458206 /nfs/dbraw/zinc/45/82/06/622458206.db2.gz IVPKJZBORJKJBV-JLBUNGTFSA-N 1 1 311.381 3.011 20 10 DGCDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000768891321 622483545 /nfs/dbraw/zinc/48/35/45/622483545.db2.gz CNFVNOBPKPAMCH-ZDUSSCGKSA-N 1 1 305.805 3.429 20 10 DGCDMO CCOc1ccc(C[N@@H+](CC)CCc2ccccn2)c(O)c1 ZINC000769035868 622493897 /nfs/dbraw/zinc/49/38/97/622493897.db2.gz XGRMUGPIJGSYNY-UHFFFAOYSA-N 1 1 300.402 3.251 20 10 DGCDMO Oc1ccc2c(c1)CC[N@H+](Cc1c(O)cccc1Cl)CC2 ZINC000769191600 622507035 /nfs/dbraw/zinc/50/70/35/622507035.db2.gz CDGXXBOFPWCRKR-UHFFFAOYSA-N 1 1 303.789 3.352 20 10 DGCDMO CC[N@H+]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000769382053 622523147 /nfs/dbraw/zinc/52/31/47/622523147.db2.gz SYTSMGVDMHBYTM-QGZVFWFLSA-N 1 1 301.478 3.203 20 10 DGCDMO CCN1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000769382053 622523149 /nfs/dbraw/zinc/52/31/49/622523149.db2.gz SYTSMGVDMHBYTM-QGZVFWFLSA-N 1 1 301.478 3.203 20 10 DGCDMO CCN1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000769382053 622523151 /nfs/dbraw/zinc/52/31/51/622523151.db2.gz SYTSMGVDMHBYTM-QGZVFWFLSA-N 1 1 301.478 3.203 20 10 DGCDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769447614 622528598 /nfs/dbraw/zinc/52/85/98/622528598.db2.gz HYJWUQNHMLUSJU-HOCLYGCPSA-N 1 1 306.425 3.283 20 10 DGCDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769447610 622528857 /nfs/dbraw/zinc/52/88/57/622528857.db2.gz HYJWUQNHMLUSJU-GOEBONIOSA-N 1 1 306.425 3.283 20 10 DGCDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769469635 622530768 /nfs/dbraw/zinc/53/07/68/622530768.db2.gz BWQKSDHFBSWOHL-ZBFHGGJFSA-N 1 1 307.457 3.196 20 10 DGCDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769469635 622530779 /nfs/dbraw/zinc/53/07/79/622530779.db2.gz BWQKSDHFBSWOHL-ZBFHGGJFSA-N 1 1 307.457 3.196 20 10 DGCDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769469635 622530783 /nfs/dbraw/zinc/53/07/83/622530783.db2.gz BWQKSDHFBSWOHL-ZBFHGGJFSA-N 1 1 307.457 3.196 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2CC(=O)OC)cc1F ZINC000769485190 622533030 /nfs/dbraw/zinc/53/30/30/622533030.db2.gz ZGJRCSGHQRRRAY-OAHLLOKOSA-N 1 1 322.424 3.199 20 10 DGCDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1c(O)cccc1OC ZINC000769498066 622533879 /nfs/dbraw/zinc/53/38/79/622533879.db2.gz LGUHOFSHYWOMBH-INIZCTEOSA-N 1 1 315.413 3.174 20 10 DGCDMO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCN1CC(F)F ZINC000769514734 622536588 /nfs/dbraw/zinc/53/65/88/622536588.db2.gz NSCYVGSWRWXYGE-ZDUSSCGKSA-N 1 1 318.795 3.207 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCN1CC(F)F ZINC000769514734 622536590 /nfs/dbraw/zinc/53/65/90/622536590.db2.gz NSCYVGSWRWXYGE-ZDUSSCGKSA-N 1 1 318.795 3.207 20 10 DGCDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000769516922 622537358 /nfs/dbraw/zinc/53/73/58/622537358.db2.gz UWIKJASKZZIUJY-CQSZACIVSA-N 1 1 308.853 3.209 20 10 DGCDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1O ZINC000770504533 622640586 /nfs/dbraw/zinc/64/05/86/622640586.db2.gz IJPPRGIEEZUEDH-ZFWWWQNUSA-N 1 1 320.433 3.270 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1O ZINC000872259932 622870121 /nfs/dbraw/zinc/87/01/21/622870121.db2.gz FCGFJLQKWUVMNP-MRXNPFEDSA-N 1 1 305.418 3.324 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872262263 622871769 /nfs/dbraw/zinc/87/17/69/622871769.db2.gz WILYKMCMGSPVSU-MRXNPFEDSA-N 1 1 305.418 3.324 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@H](c3nc(C)cs3)C2)c(O)cc1C ZINC000872806123 622983343 /nfs/dbraw/zinc/98/33/43/622983343.db2.gz JTQGYKHGBDUOIN-ZDUSSCGKSA-N 1 1 318.442 3.464 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000872813293 622984303 /nfs/dbraw/zinc/98/43/03/622984303.db2.gz JHCCCNSSOLXVPQ-CYBMUJFWSA-N 1 1 303.324 3.162 20 10 DGCDMO CCCOc1ccc(C[NH2+]Cc2ccc(C(=O)OC)o2)cc1C ZINC000873050693 623025285 /nfs/dbraw/zinc/02/52/85/623025285.db2.gz PVZRQSDOKIPXIX-UHFFFAOYSA-N 1 1 317.385 3.453 20 10 DGCDMO CCCOc1ccc(C[NH2+][C@H](c2nncn2C)C(C)C)cc1C ZINC000873126601 623041893 /nfs/dbraw/zinc/04/18/93/623041893.db2.gz UZUPFVVGWDRWAM-KRWDZBQOSA-N 1 1 316.449 3.399 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000773765805 623070946 /nfs/dbraw/zinc/07/09/46/623070946.db2.gz NNNAZBRTMNHRIS-SFHVURJKSA-N 1 1 300.402 3.309 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000773765805 623070950 /nfs/dbraw/zinc/07/09/50/623070950.db2.gz NNNAZBRTMNHRIS-SFHVURJKSA-N 1 1 300.402 3.309 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000773811171 623073992 /nfs/dbraw/zinc/07/39/92/623073992.db2.gz WWOGFCBDMXVSPC-QZTJIDSGSA-N 1 1 302.462 3.391 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCOc3cc(N)ccc3C2)c(Cl)c1 ZINC000873218812 623078078 /nfs/dbraw/zinc/07/80/78/623078078.db2.gz RORIKEURTJYUDN-UHFFFAOYSA-N 1 1 318.804 3.331 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000773857641 623080137 /nfs/dbraw/zinc/08/01/37/623080137.db2.gz LGRNYWRDLQKKOU-UHFFFAOYSA-N 1 1 320.502 3.241 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1 ZINC000773895010 623086615 /nfs/dbraw/zinc/08/66/15/623086615.db2.gz OZRGTFGIUKHHON-QGZVFWFLSA-N 1 1 312.461 3.256 20 10 DGCDMO C[C@@H]([NH2+]CCc1cnccn1)c1cc(Cl)c(Cl)cc1O ZINC000774271362 623126898 /nfs/dbraw/zinc/12/68/98/623126898.db2.gz IZOFBMJBOQIQCC-SECBINFHSA-N 1 1 312.200 3.382 20 10 DGCDMO COc1cc(C[N@H+]2CCOCC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000774660569 623172345 /nfs/dbraw/zinc/17/23/45/623172345.db2.gz ORHDPNRFZNQFJO-ZDUSSCGKSA-N 1 1 307.434 3.309 20 10 DGCDMO COc1c([O-])c(C[N@@H+](CCC(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000774837761 623197473 /nfs/dbraw/zinc/19/74/73/623197473.db2.gz RNVHZOXGIBQVSG-UHFFFAOYSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+](CCC(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000774837761 623197476 /nfs/dbraw/zinc/19/74/76/623197476.db2.gz RNVHZOXGIBQVSG-UHFFFAOYSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+](CCC(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000774837761 623197482 /nfs/dbraw/zinc/19/74/82/623197482.db2.gz RNVHZOXGIBQVSG-UHFFFAOYSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[NH2+]CC(C)(C)CC(C)C)ccc1[N+](=O)[O-] ZINC000775032755 623219352 /nfs/dbraw/zinc/21/93/52/623219352.db2.gz JZHWOQROTUZFKY-UHFFFAOYSA-N 1 1 310.394 3.471 20 10 DGCDMO COc1c(O)c(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000775049111 623220607 /nfs/dbraw/zinc/22/06/07/623220607.db2.gz SNWNIHATRXKQIL-KGLIPLIRSA-N 1 1 320.389 3.367 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775062535 623224715 /nfs/dbraw/zinc/22/47/15/623224715.db2.gz AYKJLDCERHFBLQ-LLVKDONJSA-N 1 1 308.378 3.177 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@@H](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775062535 623224719 /nfs/dbraw/zinc/22/47/19/623224719.db2.gz AYKJLDCERHFBLQ-LLVKDONJSA-N 1 1 308.378 3.177 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000775159663 623236868 /nfs/dbraw/zinc/23/68/68/623236868.db2.gz XKVHHZCEIFQEBO-HIFRSBDPSA-N 1 1 320.433 3.046 20 10 DGCDMO CC(C)(C)c1cnc(SCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000775189097 623240409 /nfs/dbraw/zinc/24/04/09/623240409.db2.gz GPIIUBCPAUNBOA-TXEJJXNPSA-N 1 1 312.504 3.396 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccc(OC)c(OC)c2)c1 ZINC000775642720 623300542 /nfs/dbraw/zinc/30/05/42/623300542.db2.gz NEUGZXKZXSAEDU-UHFFFAOYSA-N 1 1 317.385 3.050 20 10 DGCDMO CCc1nn(C)cc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000775652260 623305309 /nfs/dbraw/zinc/30/53/09/623305309.db2.gz WNHZTDBAOGTBOO-UHFFFAOYSA-N 1 1 314.477 3.459 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000775679248 623312833 /nfs/dbraw/zinc/31/28/33/623312833.db2.gz SAODZERKRJDTOB-LJQANCHMSA-N 1 1 313.397 3.364 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCc3ccccc3[C@H]2CO)c1O ZINC000775701647 623315547 /nfs/dbraw/zinc/31/55/47/623315547.db2.gz UYTWVLISWUPBHI-QGZVFWFLSA-N 1 1 317.816 3.446 20 10 DGCDMO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775708879 623317085 /nfs/dbraw/zinc/31/70/85/623317085.db2.gz PIJJXCCBOLAPTF-WMZOPIPTSA-N 1 1 301.478 3.059 20 10 DGCDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775708879 623317089 /nfs/dbraw/zinc/31/70/89/623317089.db2.gz PIJJXCCBOLAPTF-WMZOPIPTSA-N 1 1 301.478 3.059 20 10 DGCDMO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775708874 623317513 /nfs/dbraw/zinc/31/75/13/623317513.db2.gz PIJJXCCBOLAPTF-FUHWJXTLSA-N 1 1 301.478 3.059 20 10 DGCDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775708874 623317518 /nfs/dbraw/zinc/31/75/18/623317518.db2.gz PIJJXCCBOLAPTF-FUHWJXTLSA-N 1 1 301.478 3.059 20 10 DGCDMO Oc1c(F)cc(Cl)cc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000775714436 623318314 /nfs/dbraw/zinc/31/83/14/623318314.db2.gz PGFQVEHPRBKJFQ-GFCCVEGCSA-N 1 1 312.816 3.102 20 10 DGCDMO C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccc(N(C)C)cc1 ZINC000775834912 623339689 /nfs/dbraw/zinc/33/96/89/623339689.db2.gz VUWRXBSUZAJKFT-LBPRGKRZSA-N 1 1 312.373 3.246 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@H](C4CC4)C3)c2c1 ZINC000776773657 623461617 /nfs/dbraw/zinc/46/16/17/623461617.db2.gz USESXCCVQSYXDP-IBGZPJMESA-N 1 1 313.397 3.165 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c(O)c1 ZINC000777439505 623524705 /nfs/dbraw/zinc/52/47/05/623524705.db2.gz IYBBJJRKXGGHFF-QGZVFWFLSA-N 1 1 305.418 3.182 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2C2CCOCC2)c1O ZINC000777440477 623525837 /nfs/dbraw/zinc/52/58/37/623525837.db2.gz XKURIJNLYJGKSB-INIZCTEOSA-N 1 1 305.418 3.182 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000777469900 623529421 /nfs/dbraw/zinc/52/94/21/623529421.db2.gz PHYQCCFWWSNBLX-APWZRJJASA-N 1 1 303.494 3.305 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c(O)cc1C ZINC000777550179 623540327 /nfs/dbraw/zinc/54/03/27/623540327.db2.gz FXZCPMKEWAZZIQ-INIZCTEOSA-N 1 1 305.418 3.100 20 10 DGCDMO Oc1ccccc1C[N@@H+](Cc1ccns1)C[C@@H]1CCCO1 ZINC000876532067 623635360 /nfs/dbraw/zinc/63/53/60/623635360.db2.gz XOGSGFIRORYMIG-AWEZNQCLSA-N 1 1 304.415 3.030 20 10 DGCDMO Oc1ccccc1C[N@H+](Cc1ccns1)C[C@@H]1CCCO1 ZINC000876532067 623635364 /nfs/dbraw/zinc/63/53/64/623635364.db2.gz XOGSGFIRORYMIG-AWEZNQCLSA-N 1 1 304.415 3.030 20 10 DGCDMO Oc1ccccc1C[N@@H+](Cc1ccns1)C[C@H]1CCCO1 ZINC000876532069 623635610 /nfs/dbraw/zinc/63/56/10/623635610.db2.gz XOGSGFIRORYMIG-CQSZACIVSA-N 1 1 304.415 3.030 20 10 DGCDMO Oc1ccccc1C[N@H+](Cc1ccns1)C[C@H]1CCCO1 ZINC000876532069 623635614 /nfs/dbraw/zinc/63/56/14/623635614.db2.gz XOGSGFIRORYMIG-CQSZACIVSA-N 1 1 304.415 3.030 20 10 DGCDMO Cc1cccc(NC(=O)C[N@H+](C)Cc2c(C)cccc2O)c1C ZINC000876538779 623637295 /nfs/dbraw/zinc/63/72/95/623637295.db2.gz NWYVPWPSNMPRMO-UHFFFAOYSA-N 1 1 312.413 3.388 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000876552927 623641330 /nfs/dbraw/zinc/64/13/30/623641330.db2.gz CZIMNNQTWWKYJR-OAHLLOKOSA-N 1 1 322.412 3.123 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)Cc1cc(OC)cnc1F ZINC000876654753 623671217 /nfs/dbraw/zinc/67/12/17/623671217.db2.gz OGFSIQLUMUQGBY-UHFFFAOYSA-N 1 1 304.365 3.347 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C3CCC3)cc2)CC1 ZINC000876659626 623672972 /nfs/dbraw/zinc/67/29/72/623672972.db2.gz CHDQSPZLGUSUBY-HXUWFJFHSA-N 1 1 314.473 3.412 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000876810523 623711938 /nfs/dbraw/zinc/71/19/38/623711938.db2.gz ANJPUINYTUSPRM-YJBOKZPZSA-N 1 1 300.446 3.149 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000876810523 623711942 /nfs/dbraw/zinc/71/19/42/623711942.db2.gz ANJPUINYTUSPRM-YJBOKZPZSA-N 1 1 300.446 3.149 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(OC)cc1OC ZINC000778995499 623717673 /nfs/dbraw/zinc/71/76/73/623717673.db2.gz ASPSIDOLFGHLFM-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO CC[N@H+](Cc1cc(F)ccc1O)C[C@@H]1COc2ccccc2O1 ZINC000778994925 623718589 /nfs/dbraw/zinc/71/85/89/623718589.db2.gz LIVORIBPCLJMIE-OAHLLOKOSA-N 1 1 317.360 3.193 20 10 DGCDMO Oc1ccccc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000778999837 623719142 /nfs/dbraw/zinc/71/91/42/623719142.db2.gz MENUBMOKMUWREH-UHFFFAOYSA-N 1 1 305.381 3.136 20 10 DGCDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1Cc1ccccc1O ZINC000779007965 623720159 /nfs/dbraw/zinc/72/01/59/623720159.db2.gz OQXWENHOKQRKCJ-QGZVFWFLSA-N 1 1 310.441 3.489 20 10 DGCDMO COc1ccc2c(c1)CCC[N@H+](Cc1cc(F)ccc1O)C2 ZINC000779008903 623720616 /nfs/dbraw/zinc/72/06/16/623720616.db2.gz DMJDBDYRECNZKW-UHFFFAOYSA-N 1 1 301.361 3.488 20 10 DGCDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000779022905 623722131 /nfs/dbraw/zinc/72/21/31/623722131.db2.gz KXNLGJACEULDON-GOSISDBHSA-N 1 1 314.404 3.238 20 10 DGCDMO CN(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000779022905 623722134 /nfs/dbraw/zinc/72/21/34/623722134.db2.gz KXNLGJACEULDON-GOSISDBHSA-N 1 1 314.404 3.238 20 10 DGCDMO CN(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779022905 623722138 /nfs/dbraw/zinc/72/21/38/623722138.db2.gz KXNLGJACEULDON-GOSISDBHSA-N 1 1 314.404 3.238 20 10 DGCDMO Cc1ccc(C[NH2+]Cc2ccc(F)c(CN(C)C)c2)c(O)c1 ZINC000877044879 623774539 /nfs/dbraw/zinc/77/45/39/623774539.db2.gz KCJUONFDYFLCGE-UHFFFAOYSA-N 1 1 302.393 3.191 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000877377722 623862623 /nfs/dbraw/zinc/86/26/23/623862623.db2.gz WJFHWDJPPUGUHU-HNNXBMFYSA-N 1 1 305.418 3.254 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000877406488 623872454 /nfs/dbraw/zinc/87/24/54/623872454.db2.gz TXFHLGIRHMPYGV-CYBMUJFWSA-N 1 1 306.456 3.447 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000877406488 623872466 /nfs/dbraw/zinc/87/24/66/623872466.db2.gz TXFHLGIRHMPYGV-CYBMUJFWSA-N 1 1 306.456 3.447 20 10 DGCDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877460746 623893401 /nfs/dbraw/zinc/89/34/01/623893401.db2.gz UKQQVOHCBRQPHU-AWEZNQCLSA-N 1 1 303.324 3.244 20 10 DGCDMO OC1CCN(c2ccc(C[NH2+]C3(C(F)F)CCCC3)cc2)CC1 ZINC000877536586 623931597 /nfs/dbraw/zinc/93/15/97/623931597.db2.gz WIIHNPYTVQNYES-UHFFFAOYSA-N 1 1 324.415 3.315 20 10 DGCDMO COc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(C)c2O)CCO1 ZINC000877754685 624020672 /nfs/dbraw/zinc/02/06/72/624020672.db2.gz PJYUFUFVMDXCFG-SFHVURJKSA-N 1 1 313.397 3.283 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000877820898 624051787 /nfs/dbraw/zinc/05/17/87/624051787.db2.gz KAYVMGMYPOGBIH-HNNXBMFYSA-N 1 1 316.367 3.214 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1O ZINC000877823614 624056171 /nfs/dbraw/zinc/05/61/71/624056171.db2.gz XLPYIQITJYACPJ-RISCZKNCSA-N 1 1 317.351 3.496 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](OC(F)F)C2)cc1F ZINC000781533027 624088585 /nfs/dbraw/zinc/08/85/85/624088585.db2.gz WTVWDMCDXDYAHY-LBPRGKRZSA-N 1 1 302.340 3.095 20 10 DGCDMO CCC(O)(CC)C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000781628111 624108888 /nfs/dbraw/zinc/10/88/88/624108888.db2.gz IXRPEXWJTJPVKL-UHFFFAOYSA-N 1 1 316.239 3.104 20 10 DGCDMO CCCCC[N@H+](CCO)Cc1cccc(Br)c1O ZINC000126884923 624163008 /nfs/dbraw/zinc/16/30/08/624163008.db2.gz LIAJBNHOAKKRQJ-UHFFFAOYSA-N 1 1 316.239 3.139 20 10 DGCDMO CCCCC[N@@H+](CCO)Cc1cccc(Br)c1O ZINC000126884923 624163011 /nfs/dbraw/zinc/16/30/11/624163011.db2.gz LIAJBNHOAKKRQJ-UHFFFAOYSA-N 1 1 316.239 3.139 20 10 DGCDMO COC(C)(C)C[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781909022 624170317 /nfs/dbraw/zinc/17/03/17/624170317.db2.gz OCIUNCVHYLSYPN-UHFFFAOYSA-N 1 1 316.239 3.320 20 10 DGCDMO COC(C)(C)C[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781909022 624170318 /nfs/dbraw/zinc/17/03/18/624170318.db2.gz OCIUNCVHYLSYPN-UHFFFAOYSA-N 1 1 316.239 3.320 20 10 DGCDMO Cc1cc(Br)c([O-])c(C[N@H+](C[C@H](C)O)C(C)C)c1 ZINC000781912767 624170917 /nfs/dbraw/zinc/17/09/17/624170917.db2.gz QLLXQKWLYWGXAZ-NSHDSACASA-N 1 1 316.239 3.054 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C[C@H](C)O)C(C)C)c1 ZINC000781912767 624170922 /nfs/dbraw/zinc/17/09/22/624170922.db2.gz QLLXQKWLYWGXAZ-NSHDSACASA-N 1 1 316.239 3.054 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+](C[C@H](C)O)C(C)C)c1 ZINC000781912767 624170924 /nfs/dbraw/zinc/17/09/24/624170924.db2.gz QLLXQKWLYWGXAZ-NSHDSACASA-N 1 1 316.239 3.054 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)CC1(O)CCCCC1 ZINC000878152798 624192243 /nfs/dbraw/zinc/19/22/43/624192243.db2.gz YQNNRPZGDSPSDD-QGZVFWFLSA-N 1 1 321.461 3.050 20 10 DGCDMO C[C@@H]1OCC[C@@H]1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000878240776 624224145 /nfs/dbraw/zinc/22/41/45/624224145.db2.gz KUELRRIMHBBOSV-LSDHHAIUSA-N 1 1 301.386 3.412 20 10 DGCDMO CCOCOc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000783425564 624348464 /nfs/dbraw/zinc/34/84/64/624348464.db2.gz UMVLAHYPSGAEPV-UHFFFAOYSA-N 1 1 301.386 3.397 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1F ZINC000783596718 624373457 /nfs/dbraw/zinc/37/34/57/624373457.db2.gz FYLZABPJQJLYCC-KRWDZBQOSA-N 1 1 313.420 3.351 20 10 DGCDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000783717095 624387149 /nfs/dbraw/zinc/38/71/49/624387149.db2.gz HWSJIEVPCZGXIW-ZDUSSCGKSA-N 1 1 307.287 3.075 20 10 DGCDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000783718771 624387552 /nfs/dbraw/zinc/38/75/52/624387552.db2.gz RTXWOYFLAGYZTM-CQSZACIVSA-N 1 1 303.324 3.244 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000785767088 624730273 /nfs/dbraw/zinc/73/02/73/624730273.db2.gz JOKMJARBMNSTTI-QZTJIDSGSA-N 1 1 302.462 3.391 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1O ZINC000785990242 624774946 /nfs/dbraw/zinc/77/49/46/624774946.db2.gz ZXSUXVHEJCUVAE-MJVIPROJSA-N 1 1 313.825 3.036 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cscc2C)c1 ZINC000786925478 624965119 /nfs/dbraw/zinc/96/51/19/624965119.db2.gz HYHBTHMLWDKPNZ-LLVKDONJSA-N 1 1 305.399 3.400 20 10 DGCDMO C[C@H]([NH2+]CC1(CO)CCC1)c1cccc(C(F)(F)F)c1O ZINC000788743637 625256549 /nfs/dbraw/zinc/25/65/49/625256549.db2.gz ZSLZDTVCKHMFDE-JTQLQIEISA-N 1 1 303.324 3.224 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cccc(C(F)(F)F)c1O ZINC000788777023 625265190 /nfs/dbraw/zinc/26/51/90/625265190.db2.gz RVBSYBJTGSJRGF-MNOVXSKESA-N 1 1 303.324 3.488 20 10 DGCDMO C[C@@H]([NH2+]CCc1cnccn1)c1cccc(C(F)(F)F)c1O ZINC000788797282 625268302 /nfs/dbraw/zinc/26/83/02/625268302.db2.gz KRBNLORSWSEQMC-SNVBAGLBSA-N 1 1 311.307 3.094 20 10 DGCDMO CC(C)C[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)N(C)C ZINC000790949650 625720740 /nfs/dbraw/zinc/72/07/40/625720740.db2.gz GSQSWGOELBIGTC-NSHDSACASA-N 1 1 302.821 3.251 20 10 DGCDMO C[C@@H]1CCCN(CC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790950325 625721065 /nfs/dbraw/zinc/72/10/65/625721065.db2.gz VWFFTJPEFTYLKL-LLVKDONJSA-N 1 1 300.805 3.006 20 10 DGCDMO C[C@@H](CCO)C1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCC1 ZINC000790991705 625732671 /nfs/dbraw/zinc/73/26/71/625732671.db2.gz ZOJYZRZUZPRVGK-NSHDSACASA-N 1 1 315.816 3.463 20 10 DGCDMO COc1cccc(O)c1C[NH2+]Cc1c(Cl)cccc1OC ZINC000790997829 625734566 /nfs/dbraw/zinc/73/45/66/625734566.db2.gz WKSABFPEHMDTJL-UHFFFAOYSA-N 1 1 307.777 3.353 20 10 DGCDMO CCOc1cc(C[NH2+]Cc2cc(F)cc(F)c2O)ccc1OC ZINC000883000250 625893869 /nfs/dbraw/zinc/89/38/69/625893869.db2.gz TWYWLCWGYOGRGJ-UHFFFAOYSA-N 1 1 323.339 3.368 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000883049257 625910857 /nfs/dbraw/zinc/91/08/57/625910857.db2.gz IKERWPSSUAAMEJ-BFYDXBDKSA-N 1 1 301.336 3.346 20 10 DGCDMO Oc1ccc(Cl)c(F)c1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000792167290 625918750 /nfs/dbraw/zinc/91/87/50/625918750.db2.gz KJNIBSLMHXWTCM-GFCCVEGCSA-N 1 1 312.816 3.245 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000792173039 625919163 /nfs/dbraw/zinc/91/91/63/625919163.db2.gz QBQPEJFGGMEXQI-NEPJUHHUSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000792173039 625919170 /nfs/dbraw/zinc/91/91/70/625919170.db2.gz QBQPEJFGGMEXQI-NEPJUHHUSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000883104862 625928464 /nfs/dbraw/zinc/92/84/64/625928464.db2.gz OWKUPDJCRSGLJJ-UHFFFAOYSA-N 1 1 304.340 3.234 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CC1(c2ccccn2)CCC1 ZINC000883118746 625933050 /nfs/dbraw/zinc/93/30/50/625933050.db2.gz DVIOZPGWLVNBBJ-UHFFFAOYSA-N 1 1 304.340 3.277 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(F)cc1O ZINC000796665698 626071144 /nfs/dbraw/zinc/07/11/44/626071144.db2.gz KONHLIJPNJECLI-DZGCQCFKSA-N 1 1 317.360 3.412 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(F)cc1O ZINC000796680634 626072643 /nfs/dbraw/zinc/07/26/43/626072643.db2.gz XJZHWQYZCNCHJB-PBHICJAKSA-N 1 1 319.376 3.012 20 10 DGCDMO CC[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(F)cc1O ZINC000796781038 626081871 /nfs/dbraw/zinc/08/18/71/626081871.db2.gz UMSNEMUVUNFOBU-CJNGLKHVSA-N 1 1 311.397 3.015 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc(F)cc1O ZINC000797131401 626116887 /nfs/dbraw/zinc/11/68/87/626116887.db2.gz GBRRZZIMBCFZDQ-YTEVENLXSA-N 1 1 321.417 3.261 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000797586974 626155204 /nfs/dbraw/zinc/15/52/04/626155204.db2.gz OJFJRTZIXDJXBI-GHMZBOCLSA-N 1 1 313.344 3.265 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)cc1F ZINC000798960526 626263156 /nfs/dbraw/zinc/26/31/56/626263156.db2.gz HVSQOGQMBGKVBB-GOSISDBHSA-N 1 1 316.424 3.352 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)cc1F ZINC000798960526 626263157 /nfs/dbraw/zinc/26/31/57/626263157.db2.gz HVSQOGQMBGKVBB-GOSISDBHSA-N 1 1 316.424 3.352 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@@H+](CC)[C@H]2CCNC2=O)cc1 ZINC000799737896 626326493 /nfs/dbraw/zinc/32/64/93/626326493.db2.gz QBSWSLHNWREMKC-SFHVURJKSA-N 1 1 317.477 3.023 20 10 DGCDMO CCCC[N@@H+](CCCN1CCCC1=O)Cc1ccccc1O ZINC000801595583 626411326 /nfs/dbraw/zinc/41/13/26/626411326.db2.gz OTVKYQITQBHWQL-UHFFFAOYSA-N 1 1 304.434 3.007 20 10 DGCDMO CCCC[N@@H+](Cc1ccc2c(c1)nnn2C)Cc1ccccc1O ZINC000801597012 626411616 /nfs/dbraw/zinc/41/16/16/626411616.db2.gz XNQOUXNFOCYBTJ-UHFFFAOYSA-N 1 1 324.428 3.476 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)[C@H](C)c1nc(COC)no1 ZINC000801599210 626411836 /nfs/dbraw/zinc/41/18/36/626411836.db2.gz FNGQENGBFNUYIH-CYBMUJFWSA-N 1 1 319.405 3.285 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)c1nc(COC)no1 ZINC000801599210 626411837 /nfs/dbraw/zinc/41/18/37/626411837.db2.gz FNGQENGBFNUYIH-CYBMUJFWSA-N 1 1 319.405 3.285 20 10 DGCDMO CCCC[N@@H+](CCOC[C@H]1CCCO1)Cc1ccccc1O ZINC000801597163 626411953 /nfs/dbraw/zinc/41/19/53/626411953.db2.gz CPXQGINCDJHJMJ-QGZVFWFLSA-N 1 1 307.434 3.190 20 10 DGCDMO CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H](O)c1ccccc1 ZINC000883203705 626607615 /nfs/dbraw/zinc/60/76/15/626607615.db2.gz JJIUJPQTYSDDNW-WBVHZDCISA-N 1 1 307.340 3.272 20 10 DGCDMO Cc1cc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)cs1 ZINC000883283888 626636479 /nfs/dbraw/zinc/63/64/79/626636479.db2.gz XARNXDPBOXAEGA-UHFFFAOYSA-N 1 1 315.486 3.098 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O ZINC000840113630 626767598 /nfs/dbraw/zinc/76/75/98/626767598.db2.gz FRTHIOFOSXFAQI-GVDBMIGSSA-N 1 1 319.445 3.225 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC3(C1)Oc1ccccc1O3)CCC2 ZINC000808239414 626807765 /nfs/dbraw/zinc/80/77/65/626807765.db2.gz VXTZSXJDFIZJBJ-UHFFFAOYSA-N 1 1 323.392 3.254 20 10 DGCDMO CC(C)(C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000840148812 626868628 /nfs/dbraw/zinc/86/86/28/626868628.db2.gz ANTOCHDWFMQVFW-MLGOLLRUSA-N 1 1 305.418 3.076 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000884482807 626887716 /nfs/dbraw/zinc/88/77/16/626887716.db2.gz ICQCLRLLALRBJH-SUMWQHHRSA-N 1 1 319.445 3.396 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3C[C@@H]4C[C@H]3CS4)c2c1 ZINC000840169072 626903197 /nfs/dbraw/zinc/90/31/97/626903197.db2.gz RCWUSYCQHHBZGC-JSGCOSHPSA-N 1 1 301.411 3.244 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2c(C)cnn2C)cc1 ZINC000809541548 626917755 /nfs/dbraw/zinc/91/77/55/626917755.db2.gz UKMNPUCNGLKNPG-UHFFFAOYSA-N 1 1 300.450 3.207 20 10 DGCDMO C[C@@H](O)C[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809639104 626931049 /nfs/dbraw/zinc/93/10/49/626931049.db2.gz HCGIRMVFSRBONF-MRXNPFEDSA-N 1 1 310.441 3.062 20 10 DGCDMO CN1CCN(c2ccc(C[NH+]3CCC4(CCC4)CC3)cc2)CC1 ZINC000809707356 626939452 /nfs/dbraw/zinc/93/94/52/626939452.db2.gz VRYLRDZGEFLSHY-UHFFFAOYSA-N 1 1 313.489 3.205 20 10 DGCDMO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC000809721509 626941205 /nfs/dbraw/zinc/94/12/05/626941205.db2.gz ZQEAMQWDXQVNCL-CQSZACIVSA-N 1 1 324.396 3.020 20 10 DGCDMO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC000809721509 626941208 /nfs/dbraw/zinc/94/12/08/626941208.db2.gz ZQEAMQWDXQVNCL-CQSZACIVSA-N 1 1 324.396 3.020 20 10 DGCDMO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)cc(F)c1O ZINC000809724015 626942117 /nfs/dbraw/zinc/94/21/17/626942117.db2.gz CUKNVMPEOPQTII-ABAIWWIYSA-N 1 1 312.816 3.243 20 10 DGCDMO c1cncc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000809728553 626942521 /nfs/dbraw/zinc/94/25/21/626942521.db2.gz BCAMSVWGQIIQTM-HXUWFJFHSA-N 1 1 323.440 3.255 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758535 626948101 /nfs/dbraw/zinc/94/81/01/626948101.db2.gz PJIYNRGKYJAHJC-CABCVRRESA-N 1 1 305.418 3.039 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758536 626948401 /nfs/dbraw/zinc/94/84/01/626948401.db2.gz PJIYNRGKYJAHJC-GJZGRUSLSA-N 1 1 305.418 3.039 20 10 DGCDMO c1ccc(C[N@H+](Cc2ccc(N3CCOCC3)cc2)C2CC2)nc1 ZINC000809764141 626949021 /nfs/dbraw/zinc/94/90/21/626949021.db2.gz SXIIFVCMGIOJND-UHFFFAOYSA-N 1 1 323.440 3.083 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1F ZINC000809766500 626949406 /nfs/dbraw/zinc/94/94/06/626949406.db2.gz ZHYCBLLMVJZXTL-CRAIPNDOSA-N 1 1 321.484 3.444 20 10 DGCDMO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1F ZINC000809766500 626949421 /nfs/dbraw/zinc/94/94/21/626949421.db2.gz ZHYCBLLMVJZXTL-CRAIPNDOSA-N 1 1 321.484 3.444 20 10 DGCDMO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1F ZINC000809766500 626949425 /nfs/dbraw/zinc/94/94/25/626949425.db2.gz ZHYCBLLMVJZXTL-CRAIPNDOSA-N 1 1 321.484 3.444 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccccc2N(C)C)c1O ZINC000809787368 626952944 /nfs/dbraw/zinc/95/29/44/626952944.db2.gz AMPMGRUTMNJRGU-UHFFFAOYSA-N 1 1 314.429 3.489 20 10 DGCDMO CCc1nnc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)s1 ZINC000810259059 626994000 /nfs/dbraw/zinc/99/40/00/626994000.db2.gz AJHLZOZAJJUFKQ-PSASIEDQSA-N 1 1 307.394 3.283 20 10 DGCDMO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1c(O)cccc1F ZINC000886522371 627156596 /nfs/dbraw/zinc/15/65/96/627156596.db2.gz HWTJXSLPSYJTFL-LLVKDONJSA-N 1 1 304.321 3.333 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1c(O)cccc1F ZINC000886550154 627161563 /nfs/dbraw/zinc/16/15/63/627161563.db2.gz TUBJWYYJKLYKPK-DINDLPBHSA-N 1 1 307.340 3.443 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1c(O)cccc1F ZINC000886550111 627161590 /nfs/dbraw/zinc/16/15/90/627161590.db2.gz SKELGYGHIPOBAJ-MQJDWESPSA-N 1 1 307.390 3.120 20 10 DGCDMO C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1c(O)cccc1F ZINC000886555237 627162571 /nfs/dbraw/zinc/16/25/71/627162571.db2.gz NYEDAIMXKTXIBH-SGTLLEGYSA-N 1 1 301.361 3.016 20 10 DGCDMO C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1c(O)cccc1F ZINC000886594076 627169464 /nfs/dbraw/zinc/16/94/64/627169464.db2.gz FRXQXWLICOLHKX-FZKQIMNGSA-N 1 1 303.377 3.480 20 10 DGCDMO CC(C)[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)c1ccnn1C ZINC000886599315 627170503 /nfs/dbraw/zinc/17/05/03/627170503.db2.gz WDUVWGNIUVACRC-QWHCGFSZSA-N 1 1 305.397 3.355 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1F ZINC000811510700 627285228 /nfs/dbraw/zinc/28/52/28/627285228.db2.gz NDUZHVXQCAPQFU-SJORKVTESA-N 1 1 306.425 3.281 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1[C@@H]1CCCO1)CCC2 ZINC000811791953 627322839 /nfs/dbraw/zinc/32/28/39/627322839.db2.gz KOKILQUODSREPC-OALUTQOASA-N 1 1 313.441 3.414 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000812780802 627419640 /nfs/dbraw/zinc/41/96/40/627419640.db2.gz SWXFGGVUDOEXEQ-AWEZNQCLSA-N 1 1 316.367 3.382 20 10 DGCDMO COc1cccc(C[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)c1O ZINC000813331911 627478958 /nfs/dbraw/zinc/47/89/58/627478958.db2.gz NLIFWNPXEHEKGC-UHFFFAOYSA-N 1 1 323.396 3.423 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)c1O ZINC000813331911 627478960 /nfs/dbraw/zinc/47/89/60/627478960.db2.gz NLIFWNPXEHEKGC-UHFFFAOYSA-N 1 1 323.396 3.423 20 10 DGCDMO C[C@H](CNCc1ccc(N(C)C)cc1C(F)(F)F)C[NH+](C)C ZINC000813785909 627511686 /nfs/dbraw/zinc/51/16/86/627511686.db2.gz HXQUKVSMNNLJNE-GFCCVEGCSA-N 1 1 317.399 3.059 20 10 DGCDMO CN1CCN(c2ccc(C[NH+]3CCC(C4CC4)CC3)cc2)CC1 ZINC000814172197 627546764 /nfs/dbraw/zinc/54/67/64/627546764.db2.gz CHJQKEUIIFVNDZ-UHFFFAOYSA-N 1 1 313.489 3.060 20 10 DGCDMO Cc1cc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1N(C)C ZINC000815056031 627619953 /nfs/dbraw/zinc/61/99/53/627619953.db2.gz YWJPGRKYZVFEPA-IBGZPJMESA-N 1 1 315.505 3.225 20 10 DGCDMO Cc1cc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1N(C)C ZINC000815056031 627619954 /nfs/dbraw/zinc/61/99/54/627619954.db2.gz YWJPGRKYZVFEPA-IBGZPJMESA-N 1 1 315.505 3.225 20 10 DGCDMO CCCN1CCC([N@H+](C)Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815057577 627620728 /nfs/dbraw/zinc/62/07/28/627620728.db2.gz UOPHLLSBOLXJAF-UHFFFAOYSA-N 1 1 303.494 3.367 20 10 DGCDMO CCCN1CCC([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815057577 627620729 /nfs/dbraw/zinc/62/07/29/627620729.db2.gz UOPHLLSBOLXJAF-UHFFFAOYSA-N 1 1 303.494 3.367 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CC[C@H](N3CCCC3)[C@H]2C)cc1 ZINC000815118156 627629069 /nfs/dbraw/zinc/62/90/69/627629069.db2.gz LALUBYPZQTYZKZ-APWZRJJASA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](N3CCCC3)[C@H]2C)cc1 ZINC000815118156 627629072 /nfs/dbraw/zinc/62/90/72/627629072.db2.gz LALUBYPZQTYZKZ-APWZRJJASA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000815118519 627630259 /nfs/dbraw/zinc/63/02/59/627630259.db2.gz ILMWBGCWJJGAEB-OAQYLSRUSA-N 1 1 324.468 3.279 20 10 DGCDMO Cc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)ccc1N(C)C ZINC000815119744 627630263 /nfs/dbraw/zinc/63/02/63/627630263.db2.gz GHQOGZRTALGZEF-QZTJIDSGSA-N 1 1 302.462 3.450 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)cc1 ZINC000815122432 627631857 /nfs/dbraw/zinc/63/18/57/627631857.db2.gz VPIZMQDPXWGDCV-FQEVSTJZSA-N 1 1 312.457 3.178 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2nn(CC)nc2C)cc1 ZINC000924710464 627671335 /nfs/dbraw/zinc/67/13/35/627671335.db2.gz LHNJUXGBYGSWEV-AWEZNQCLSA-N 1 1 315.465 3.303 20 10 DGCDMO COCCOCCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815554905 627684175 /nfs/dbraw/zinc/68/41/75/627684175.db2.gz LLUZIRFTBMJHDF-NSHDSACASA-N 1 1 321.339 3.115 20 10 DGCDMO C[C@@H]([NH2+]CCC1CC(O)C1)c1cccc(C(F)(F)F)c1O ZINC000815621117 627691770 /nfs/dbraw/zinc/69/17/70/627691770.db2.gz LWMKJHDZHPQQCV-KPPDAEKUSA-N 1 1 303.324 3.223 20 10 DGCDMO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815626247 627692298 /nfs/dbraw/zinc/69/22/98/627692298.db2.gz ZHYBNXQFEMRASP-GHMZBOCLSA-N 1 1 305.340 3.326 20 10 DGCDMO CN(C)c1ccc(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925512036 627745113 /nfs/dbraw/zinc/74/51/13/627745113.db2.gz YQVYUAMUFUTSMA-RTBURBONSA-N 1 1 301.478 3.011 20 10 DGCDMO Oc1cc(F)c(Cl)cc1CN1CC[NH+](C2CCCC2)CC1 ZINC000816483933 627796282 /nfs/dbraw/zinc/79/62/82/627796282.db2.gz KUSNAHQPCHEEAD-UHFFFAOYSA-N 1 1 312.816 3.245 20 10 DGCDMO Oc1cc(F)c(Cl)cc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000816497898 627797133 /nfs/dbraw/zinc/79/71/33/627797133.db2.gz YJOPLQQNURNTIY-CYBMUJFWSA-N 1 1 312.816 3.245 20 10 DGCDMO CC[NH+](CC)C[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816515758 627800144 /nfs/dbraw/zinc/80/01/44/627800144.db2.gz KDXXIXIIEUZFCD-GFCCVEGCSA-N 1 1 314.832 3.348 20 10 DGCDMO Cc1ccc2nc(C[NH2+]Cc3cc(Cl)c(F)cc3O)cn2c1 ZINC000816548959 627805715 /nfs/dbraw/zinc/80/57/15/627805715.db2.gz YMCQQMZYGIIRTH-UHFFFAOYSA-N 1 1 319.767 3.431 20 10 DGCDMO CN1Cc2ccccc2[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816559922 627807216 /nfs/dbraw/zinc/80/72/16/627807216.db2.gz YYZTYKHWODEDJG-INIZCTEOSA-N 1 1 320.795 3.461 20 10 DGCDMO CO[C@@H](CC[NH2+]Cc1cc(Cl)c(F)cc1O)C(F)(F)F ZINC000816588306 627811564 /nfs/dbraw/zinc/81/15/64/627811564.db2.gz KPAYXYAIHBJPMH-NSHDSACASA-N 1 1 315.694 3.242 20 10 DGCDMO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)c(F)cc1O ZINC000816609526 627814694 /nfs/dbraw/zinc/81/46/94/627814694.db2.gz FDWHDAQCYHNREI-IAQYHMDHSA-N 1 1 312.816 3.243 20 10 DGCDMO C[N@@H+]1CCC[C@]2(CCN(Cc3cc(Cl)c(F)cc3O)C2)C1 ZINC000816641818 627818839 /nfs/dbraw/zinc/81/88/39/627818839.db2.gz HGJZSUWQHPLVRW-INIZCTEOSA-N 1 1 312.816 3.102 20 10 DGCDMO C[N@H+]1CCC[C@]2(CCN(Cc3cc(Cl)c(F)cc3O)C2)C1 ZINC000816641818 627818844 /nfs/dbraw/zinc/81/88/44/627818844.db2.gz HGJZSUWQHPLVRW-INIZCTEOSA-N 1 1 312.816 3.102 20 10 DGCDMO COc1cc(Br)cc(C[N@H+]2C[C@@H](C)[C@@H]2C)c1O ZINC000816648602 627820250 /nfs/dbraw/zinc/82/02/50/627820250.db2.gz MQFAVBZKJROALB-BDAKNGLRSA-N 1 1 300.196 3.004 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c(O)c1 ZINC000816656611 627821857 /nfs/dbraw/zinc/82/18/57/627821857.db2.gz YXWOHLHGDULREI-GOSISDBHSA-N 1 1 317.429 3.182 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCOC[C@H]2CC2CCC2)cc1F ZINC000816667615 627823580 /nfs/dbraw/zinc/82/35/80/627823580.db2.gz RLMBYAPWZMESMX-MRXNPFEDSA-N 1 1 306.425 3.283 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCOC[C@H]2CC2CCC2)cc1F ZINC000816667615 627823584 /nfs/dbraw/zinc/82/35/84/627823584.db2.gz RLMBYAPWZMESMX-MRXNPFEDSA-N 1 1 306.425 3.283 20 10 DGCDMO CC(C)[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CCCO1 ZINC000816675154 627823768 /nfs/dbraw/zinc/82/37/68/627823768.db2.gz UEMVGNJHGBXSJE-CQSZACIVSA-N 1 1 301.789 3.432 20 10 DGCDMO CC(C)[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CCCO1 ZINC000816675154 627823771 /nfs/dbraw/zinc/82/37/71/627823771.db2.gz UEMVGNJHGBXSJE-CQSZACIVSA-N 1 1 301.789 3.432 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)ccc1N1CCCCC1 ZINC000817281900 627876724 /nfs/dbraw/zinc/87/67/24/627876724.db2.gz SFJVYKRUDQOGNW-VQIMIIECSA-N 1 1 316.489 3.436 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)C[C@@H]3CCCN3C)c2c1 ZINC000817372900 627890891 /nfs/dbraw/zinc/89/08/91/627890891.db2.gz LHCKPRVVICDODD-HNNXBMFYSA-N 1 1 314.429 3.080 20 10 DGCDMO COc1ccc2ccc(O)c(CN(C)C[C@@H]3CCC[N@@H+]3C)c2c1 ZINC000817372900 627890893 /nfs/dbraw/zinc/89/08/93/627890893.db2.gz LHCKPRVVICDODD-HNNXBMFYSA-N 1 1 314.429 3.080 20 10 DGCDMO COc1ccc2ccc(O)c(CN(C)C[C@@H]3CCC[N@H+]3C)c2c1 ZINC000817372900 627890897 /nfs/dbraw/zinc/89/08/97/627890897.db2.gz LHCKPRVVICDODD-HNNXBMFYSA-N 1 1 314.429 3.080 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)cc1F ZINC000817412343 627896367 /nfs/dbraw/zinc/89/63/67/627896367.db2.gz IYJVKHKKRYYZIH-HOCLYGCPSA-N 1 1 308.441 3.122 20 10 DGCDMO OCC[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000817419233 627897791 /nfs/dbraw/zinc/89/77/91/627897791.db2.gz RHWDBJFCMPRSNJ-NSHDSACASA-N 1 1 301.789 3.169 20 10 DGCDMO OCC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000817419233 627897795 /nfs/dbraw/zinc/89/77/95/627897795.db2.gz RHWDBJFCMPRSNJ-NSHDSACASA-N 1 1 301.789 3.169 20 10 DGCDMO Cc1cc(C[NH2+][C@H](C)c2cnn(C)n2)c(C)n1-c1ccccc1 ZINC000926763541 627948518 /nfs/dbraw/zinc/94/85/18/627948518.db2.gz AYHPBQZYBPVUTP-CQSZACIVSA-N 1 1 309.417 3.073 20 10 DGCDMO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)c(C)n1-c1ccccc1 ZINC000926765518 627949580 /nfs/dbraw/zinc/94/95/80/627949580.db2.gz WXCBZVQBQDFYBW-RDTXWAMCSA-N 1 1 321.428 3.481 20 10 DGCDMO Cc1cc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)c(C)n1-c1ccccc1 ZINC000926765516 627949612 /nfs/dbraw/zinc/94/96/12/627949612.db2.gz WXCBZVQBQDFYBW-KDOFPFPSSA-N 1 1 321.428 3.481 20 10 DGCDMO C[C@H](NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)C1C[NH2+]C1 ZINC000817932731 627965834 /nfs/dbraw/zinc/96/58/34/627965834.db2.gz XKSUHXQOGNIFPY-KGLIPLIRSA-N 1 1 321.896 3.274 20 10 DGCDMO Cc1cccc2c1CC[C@@H]2NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938382 627966395 /nfs/dbraw/zinc/96/63/95/627966395.db2.gz JQZDRKURRBBHRH-UXHICEINSA-N 1 1 309.457 3.338 20 10 DGCDMO Cc1ccc2c(c1)[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000817938030 627966477 /nfs/dbraw/zinc/96/64/77/627966477.db2.gz BRQWZFFBYHFRBP-VQTJNVASSA-N 1 1 309.457 3.338 20 10 DGCDMO COc1ccc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938360 627966648 /nfs/dbraw/zinc/96/66/48/627966648.db2.gz JKJVGUQYRRGWMK-IFXJQAMLSA-N 1 1 313.445 3.112 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1F ZINC000817938907 627967274 /nfs/dbraw/zinc/96/72/74/627967274.db2.gz VJRQUPQGMVRSTA-ACJLOTCBSA-N 1 1 301.409 3.242 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccnc(Cl)c1 ZINC000817939890 627967354 /nfs/dbraw/zinc/96/73/54/627967354.db2.gz CZZLFMAMADQPMA-BLLLJJGKSA-N 1 1 318.852 3.152 20 10 DGCDMO Cc1ccsc1[C@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938952 627967526 /nfs/dbraw/zinc/96/75/26/627967526.db2.gz WFFPNQSMCIZVLV-BBRMVZONSA-N 1 1 303.475 3.473 20 10 DGCDMO CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817941781 627968388 /nfs/dbraw/zinc/96/83/88/627968388.db2.gz RNLQCQPFYOCZSZ-AWEZNQCLSA-N 1 1 316.367 3.451 20 10 DGCDMO CCC[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817942912 627969672 /nfs/dbraw/zinc/96/96/72/627969672.db2.gz RMZKZJRKYOUDFF-RTBURBONSA-N 1 1 312.461 3.278 20 10 DGCDMO C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000817957255 627974245 /nfs/dbraw/zinc/97/42/45/627974245.db2.gz KEGYKEIEVKDNGW-YLJYHZDGSA-N 1 1 323.484 3.312 20 10 DGCDMO CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817961364 627976168 /nfs/dbraw/zinc/97/61/68/627976168.db2.gz XTUKCSVSHFUNTJ-CHWSQXEVSA-N 1 1 303.233 3.477 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cc(Cl)ccc1[O-] ZINC000817969724 627978622 /nfs/dbraw/zinc/97/86/22/627978622.db2.gz YSRQRUMFZJTMKC-LLVKDONJSA-N 1 1 302.805 3.500 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000817968060 627978742 /nfs/dbraw/zinc/97/87/42/627978742.db2.gz NXOALRWHXLIBRV-JTDSTZFVSA-N 1 1 301.478 3.326 20 10 DGCDMO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2c1c(F)ccc2[O-] ZINC000817974814 627980689 /nfs/dbraw/zinc/98/06/89/627980689.db2.gz FRZJFALGFNGZEX-RGCMKSIDSA-N 1 1 306.425 3.434 20 10 DGCDMO C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2c1c(F)ccc2[O-] ZINC000817974813 627980989 /nfs/dbraw/zinc/98/09/89/627980989.db2.gz FRZJFALGFNGZEX-PWNZVWSESA-N 1 1 306.425 3.434 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1ccc(F)cc1O ZINC000817975040 627981023 /nfs/dbraw/zinc/98/10/23/627981023.db2.gz QELIMCMMCJZYIW-MSOLQXFVSA-N 1 1 314.404 3.459 20 10 DGCDMO C[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(N2CCCCCC2)cc1 ZINC000817977040 627981916 /nfs/dbraw/zinc/98/19/16/627981916.db2.gz ZQLMVIVQRFNEKJ-SZMVWBNQSA-N 1 1 319.468 3.418 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)ccc1[O-] ZINC000817985296 627983406 /nfs/dbraw/zinc/98/34/06/627983406.db2.gz BYIGQUJTXMWZDJ-GMZLATJGSA-N 1 1 308.853 3.474 20 10 DGCDMO CCN(C)c1ccc([C@@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000817987413 627984040 /nfs/dbraw/zinc/98/40/40/627984040.db2.gz YTVRVDFYVKRYJK-WBVHZDCISA-N 1 1 301.478 3.468 20 10 DGCDMO CCOCCOCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000927086118 628011222 /nfs/dbraw/zinc/01/12/22/628011222.db2.gz DACMPHZCTXXVEE-NSHDSACASA-N 1 1 321.339 3.115 20 10 DGCDMO C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1cc(F)cc(F)c1O ZINC000927089524 628011877 /nfs/dbraw/zinc/01/18/77/628011877.db2.gz CMWOXBHJVGRYHP-SNVBAGLBSA-N 1 1 305.324 3.456 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)cc1F ZINC000822515996 628460151 /nfs/dbraw/zinc/46/01/51/628460151.db2.gz HAEGZBHYEYRBGD-IBGZPJMESA-N 1 1 316.420 3.231 20 10 DGCDMO C[C@H]1CN(C2CC2)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000824445649 628661304 /nfs/dbraw/zinc/66/13/04/628661304.db2.gz JHKXVXVLAYMURB-OAHLLOKOSA-N 1 1 310.441 3.462 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000824696328 628684370 /nfs/dbraw/zinc/68/43/70/628684370.db2.gz LJXXNAKDVQSPEJ-IPMKNSEASA-N 1 1 302.462 3.268 20 10 DGCDMO Cc1ncsc1CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000824738765 628688362 /nfs/dbraw/zinc/68/83/62/628688362.db2.gz QTFVREMTGUJEDD-UHFFFAOYSA-N 1 1 300.786 3.282 20 10 DGCDMO COc1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1O ZINC000824893138 628703908 /nfs/dbraw/zinc/70/39/08/628703908.db2.gz LLSKQTHIXMRGOJ-CVEARBPZSA-N 1 1 317.429 3.182 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)c1O ZINC000825041023 628720175 /nfs/dbraw/zinc/72/01/75/628720175.db2.gz YZJVPIMOPQKTKA-CYBMUJFWSA-N 1 1 315.841 3.283 20 10 DGCDMO CC1(C)C[C@H](O)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000825090955 628727052 /nfs/dbraw/zinc/72/70/52/628727052.db2.gz OSIANHGDVKMJTA-SNVBAGLBSA-N 1 1 301.789 3.168 20 10 DGCDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000825090955 628727055 /nfs/dbraw/zinc/72/70/55/628727055.db2.gz OSIANHGDVKMJTA-SNVBAGLBSA-N 1 1 301.789 3.168 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c(O)c1 ZINC000825104178 628728169 /nfs/dbraw/zinc/72/81/69/628728169.db2.gz QEQXVQFTPDDVNC-IAGOWNOFSA-N 1 1 305.418 3.180 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1O ZINC000825124118 628730276 /nfs/dbraw/zinc/73/02/76/628730276.db2.gz ICVLBHYMDHOWCV-GFCCVEGCSA-N 1 1 316.367 3.017 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1O ZINC000825133512 628730893 /nfs/dbraw/zinc/73/08/93/628730893.db2.gz IEPVKHHQHLYBPM-MRXNPFEDSA-N 1 1 311.809 3.057 20 10 DGCDMO Cc1cccc(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)c1O ZINC000825294810 628747152 /nfs/dbraw/zinc/74/71/52/628747152.db2.gz ZGVFWXQMVCWDLD-UHFFFAOYSA-N 1 1 316.367 3.159 20 10 DGCDMO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cc(Cl)c(F)cc2O)C1 ZINC000825337983 628751418 /nfs/dbraw/zinc/75/14/18/628751418.db2.gz KFMGIDWJMRNWIR-GFCCVEGCSA-N 1 1 300.805 3.099 20 10 DGCDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2cc(Cl)c(F)cc2O)C1 ZINC000825337983 628751421 /nfs/dbraw/zinc/75/14/21/628751421.db2.gz KFMGIDWJMRNWIR-GFCCVEGCSA-N 1 1 300.805 3.099 20 10 DGCDMO C[N@@H+](CCc1ccncc1)Cc1ccc(Br)cc1O ZINC000825500786 628768980 /nfs/dbraw/zinc/76/89/80/628768980.db2.gz HYFMDMMKXFDVEA-UHFFFAOYSA-N 1 1 321.218 3.224 20 10 DGCDMO COc1c(O)c(C[NH2+]Cc2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000827093126 628920667 /nfs/dbraw/zinc/92/06/67/628920667.db2.gz DKUOCSCAVILQIV-UHFFFAOYSA-N 1 1 316.357 3.216 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)[C@H]1O ZINC000827153005 628928802 /nfs/dbraw/zinc/92/88/02/628928802.db2.gz XMPKTBIAXVRHGG-MNZLEMJZSA-N 1 1 302.462 3.126 20 10 DGCDMO FCC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000827270733 628943825 /nfs/dbraw/zinc/94/38/25/628943825.db2.gz DSTAUCCWBTWOEL-HNNXBMFYSA-N 1 1 324.415 3.234 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000827377149 628954610 /nfs/dbraw/zinc/95/46/10/628954610.db2.gz QRDFGOCOOOXMFI-KBXCAEBGSA-N 1 1 305.418 3.182 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1 ZINC000827789906 628991522 /nfs/dbraw/zinc/99/15/22/628991522.db2.gz YGIPTIKLOVYKJF-DGCLKSJQSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1 ZINC000827789906 628991525 /nfs/dbraw/zinc/99/15/25/628991525.db2.gz YGIPTIKLOVYKJF-DGCLKSJQSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1cc(N(C)C)ccc1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000827949764 629007135 /nfs/dbraw/zinc/00/71/35/629007135.db2.gz NSDBDBNFYNAFEO-GOSISDBHSA-N 1 1 315.505 3.273 20 10 DGCDMO 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DGCDMO CC[N@H+]1CC[C@H](N(C)C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835026112 629828177 /nfs/dbraw/zinc/82/81/77/629828177.db2.gz QMDXNSFXYFLSPS-DZCMZPKPSA-N 1 1 315.505 3.428 20 10 DGCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C/C=C/c1ccc(N(C)C)cc1 ZINC000835029517 629829247 /nfs/dbraw/zinc/82/92/47/629829247.db2.gz RAIUILPJCBTQIE-KPDZFXRVSA-N 1 1 313.489 3.324 20 10 DGCDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/c1ccc(N(C)C)cc1 ZINC000835029517 629829249 /nfs/dbraw/zinc/82/92/49/629829249.db2.gz RAIUILPJCBTQIE-KPDZFXRVSA-N 1 1 313.489 3.324 20 10 DGCDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/c1ccc(N(C)C)cc1 ZINC000835029517 629829252 /nfs/dbraw/zinc/82/92/52/629829252.db2.gz RAIUILPJCBTQIE-KPDZFXRVSA-N 1 1 313.489 3.324 20 10 DGCDMO CN(C)c1ccc(/C=C/CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000835036372 629830252 /nfs/dbraw/zinc/83/02/52/629830252.db2.gz PTUZUTQWNOBVBZ-ONEGZZNKSA-N 1 1 313.489 3.230 20 10 DGCDMO CCC[NH+]1CCC(NC/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835043470 629833101 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ZINC000840932382 630380183 /nfs/dbraw/zinc/38/01/83/630380183.db2.gz PXGHSDVMIUPFNL-KRWDZBQOSA-N 1 1 303.494 3.271 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1nnc(C(C)(C)C)s1 ZINC000840936777 630380700 /nfs/dbraw/zinc/38/07/00/630380700.db2.gz GEOGCQMYXZROMO-UHFFFAOYSA-N 1 1 318.490 3.500 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000840948680 630382867 /nfs/dbraw/zinc/38/28/67/630382867.db2.gz XWFMUCCXFUUPIK-LPHOPBHVSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000840948680 630382870 /nfs/dbraw/zinc/38/28/70/630382870.db2.gz XWFMUCCXFUUPIK-LPHOPBHVSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000840950159 630383231 /nfs/dbraw/zinc/38/32/31/630383231.db2.gz KSCSGFRRHZLDQG-SFHVURJKSA-N 1 1 302.462 3.310 20 10 DGCDMO COCC[C@@H](C)C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000840955824 630384372 /nfs/dbraw/zinc/38/43/72/630384372.db2.gz XJAVLYOACPSOJV-SNVBAGLBSA-N 1 1 316.239 3.225 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000840973330 630389358 /nfs/dbraw/zinc/38/93/58/630389358.db2.gz JJYOHXNCYOWQJA-UHFFFAOYSA-N 1 1 302.447 3.080 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000840978678 630390105 /nfs/dbraw/zinc/39/01/05/630390105.db2.gz RCBFVAJDPWTNCE-GOSISDBHSA-N 1 1 300.446 3.145 20 10 DGCDMO CCN(CC)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000841031169 630398284 /nfs/dbraw/zinc/39/82/84/630398284.db2.gz URTQOTPIPXXWSL-XYPWUTKMSA-N 1 1 305.441 3.045 20 10 DGCDMO [NH3+][C@@H](CNCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000841038094 630399909 /nfs/dbraw/zinc/39/99/09/630399909.db2.gz UGYVVHJCNVJNAH-FQEVSTJZSA-N 1 1 309.457 3.467 20 10 DGCDMO CC(C)c1ncc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)s1 ZINC000841042112 630400753 /nfs/dbraw/zinc/40/07/53/630400753.db2.gz HWNORQVSCXFPGS-INIZCTEOSA-N 1 1 318.490 3.122 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2cc(Cl)cs2)cc1 ZINC000841044056 630401214 /nfs/dbraw/zinc/40/12/14/630401214.db2.gz UPLLPVDGAZQPIW-HNNXBMFYSA-N 1 1 309.866 3.257 20 10 DGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2sccc2Cl)cc1 ZINC000841045192 630401283 /nfs/dbraw/zinc/40/12/83/630401283.db2.gz JGTMHQAIIJMCQN-AWEZNQCLSA-N 1 1 309.866 3.257 20 10 DGCDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccc(N)cc2)C1 ZINC000841301773 630425609 /nfs/dbraw/zinc/42/56/09/630425609.db2.gz YMOHDFFYVMIJBQ-OKILXGFUSA-N 1 1 318.465 3.147 20 10 DGCDMO C[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc(Cl)cc1O ZINC000841752280 630462279 /nfs/dbraw/zinc/46/22/79/630462279.db2.gz SBFKUGSHZRHVNY-GFCCVEGCSA-N 1 1 313.825 3.282 20 10 DGCDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841889348 630473624 /nfs/dbraw/zinc/47/36/24/630473624.db2.gz BZEUDNMZZFGTIV-QLFBSQMISA-N 1 1 306.425 3.139 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000842624343 630555286 /nfs/dbraw/zinc/55/52/86/630555286.db2.gz YSRVXRSWAJHYBZ-MRXNPFEDSA-N 1 1 305.381 3.325 20 10 DGCDMO Cc1cccc2nc(CC[NH2+][C@@H](C)c3ccc(F)cc3O)cn21 ZINC000842932954 630594688 /nfs/dbraw/zinc/59/46/88/630594688.db2.gz LXRLPALOHOHZFF-ZDUSSCGKSA-N 1 1 313.376 3.381 20 10 DGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000843059923 630610127 /nfs/dbraw/zinc/61/01/27/630610127.db2.gz USRHHCHMNYRGSA-GOSISDBHSA-N 1 1 301.478 3.108 20 10 DGCDMO [NH3+][C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@H]1c1ccccc1 ZINC000843114038 630615307 /nfs/dbraw/zinc/61/53/07/630615307.db2.gz HBTJAONTJWBOQK-SWLSCSKDSA-N 1 1 320.795 3.111 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000843417149 630654465 /nfs/dbraw/zinc/65/44/65/630654465.db2.gz PWXLXBHBKWIXPH-RHSMWYFYSA-N 1 1 305.418 3.182 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2scnc2C)cc1 ZINC000844402993 630724797 /nfs/dbraw/zinc/72/47/97/630724797.db2.gz YTVMOKBLDFKTOP-UHFFFAOYSA-N 1 1 305.447 3.028 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)[C@@H](CC)CO1 ZINC000844724984 630808006 /nfs/dbraw/zinc/80/80/06/630808006.db2.gz GFUOBCNYTUXLTL-LSDHHAIUSA-N 1 1 300.402 3.330 20 10 DGCDMO COCc1ccc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)o1 ZINC000846053534 631208283 /nfs/dbraw/zinc/20/82/83/631208283.db2.gz ZGBPASOXUVIIEU-UHFFFAOYSA-N 1 1 318.417 3.003 20 10 DGCDMO C[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000846067214 631208899 /nfs/dbraw/zinc/20/88/99/631208899.db2.gz PANXFZOVTQQRFM-MQDFFIGUSA-N 1 1 300.446 3.409 20 10 DGCDMO C[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000846067214 631208900 /nfs/dbraw/zinc/20/89/00/631208900.db2.gz PANXFZOVTQQRFM-MQDFFIGUSA-N 1 1 300.446 3.409 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000846100608 631209341 /nfs/dbraw/zinc/20/93/41/631209341.db2.gz PDENUKBPNZLKMP-NPPFBWRTSA-N 1 1 320.502 3.018 20 10 DGCDMO FC1(F)C[C@]12CCC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000846107857 631209865 /nfs/dbraw/zinc/20/98/65/631209865.db2.gz LIYZWFBYTWNLTK-KRWDZBQOSA-N 1 1 322.399 3.144 20 10 DGCDMO COc1cccc([C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)c1O ZINC000846142709 631211665 /nfs/dbraw/zinc/21/16/65/631211665.db2.gz CCCWKOMFITVRIE-BBRMVZONSA-N 1 1 308.466 3.418 20 10 DGCDMO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)c1O ZINC000846155735 631212543 /nfs/dbraw/zinc/21/25/43/631212543.db2.gz CIDGVCYMGYGHQO-MNOVXSKESA-N 1 1 304.394 3.054 20 10 DGCDMO COc1cccc([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)c1O ZINC000846161962 631213052 /nfs/dbraw/zinc/21/30/52/631213052.db2.gz DDDLMPPUHLBAIQ-CQSZACIVSA-N 1 1 306.450 3.173 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1ccc(F)cc1O ZINC000848558119 631691972 /nfs/dbraw/zinc/69/19/72/631691972.db2.gz JUODOSFDTFWGBD-BDJLRTHQSA-N 1 1 314.360 3.135 20 10 DGCDMO CCc1cccc(C[N@@H+](C)Cc2ccc(O)c(OC)c2)c1O ZINC000848881632 631769945 /nfs/dbraw/zinc/76/99/45/631769945.db2.gz RKBDDXWBQZJBKO-UHFFFAOYSA-N 1 1 301.386 3.301 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000848883289 631770187 /nfs/dbraw/zinc/77/01/87/631770187.db2.gz LOXXPPQPLWPGDL-HNNXBMFYSA-N 1 1 320.433 3.054 20 10 DGCDMO CN(C)c1ccc(/C=C/CN[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000850351015 632121631 /nfs/dbraw/zinc/12/16/31/632121631.db2.gz JTCQYCFTRKUNFB-LXXRFIIISA-N 1 1 301.478 3.228 20 10 DGCDMO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCN(C(C)(C)C)C2)cc1 ZINC000850351015 632121633 /nfs/dbraw/zinc/12/16/33/632121633.db2.gz JTCQYCFTRKUNFB-LXXRFIIISA-N 1 1 301.478 3.228 20 10 DGCDMO Cn1ncc(C2CC2)c1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850379888 632132895 /nfs/dbraw/zinc/13/28/95/632132895.db2.gz ZRVWSHMXQYLZPZ-UHFFFAOYSA-N 1 1 309.772 3.085 20 10 DGCDMO C[C@H](O)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000850421571 632147855 /nfs/dbraw/zinc/14/78/55/632147855.db2.gz YTUDSRGPXOKKBV-MGPLVRAMSA-N 1 1 309.768 3.396 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1cc(F)cc(F)c1O ZINC000850500814 632172326 /nfs/dbraw/zinc/17/23/26/632172326.db2.gz GOUKJJDWISMHAW-GEUJYKRQSA-N 1 1 317.401 3.011 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@@]2(C)CC2(F)F)c1 ZINC000850535767 632184711 /nfs/dbraw/zinc/18/47/11/632184711.db2.gz BEXUXLAUHMKTKM-BONVTDFDSA-N 1 1 313.344 3.265 20 10 DGCDMO CCSC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000850552998 632191239 /nfs/dbraw/zinc/19/12/39/632191239.db2.gz REKBYEQTJYGPPL-LLVKDONJSA-N 1 1 309.431 3.115 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](OC)C2CCCC2)c1 ZINC000850563605 632195523 /nfs/dbraw/zinc/19/55/23/632195523.db2.gz ZIRCBTFFHKTVNL-SJCJKPOMSA-N 1 1 321.417 3.035 20 10 DGCDMO C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(F)cc1O ZINC000850566598 632196594 /nfs/dbraw/zinc/19/65/94/632196594.db2.gz OIBBPOMLHOBTAN-SNVBAGLBSA-N 1 1 303.324 3.122 20 10 DGCDMO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000850569740 632197477 /nfs/dbraw/zinc/19/74/77/632197477.db2.gz AKTMIAGCRCSJMT-QUUYKZCZSA-N 1 1 318.186 3.122 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](OC)[C@H]2CCOC2)cc1 ZINC000851717018 632473877 /nfs/dbraw/zinc/47/38/77/632473877.db2.gz UKHJWWQRUFHZGV-PKOBYXMFSA-N 1 1 320.477 3.016 20 10 DGCDMO COc1ccc(N2CCC[N@H+](C[C@H](OC)C3CCC3)CC2)cc1 ZINC000851732711 632478030 /nfs/dbraw/zinc/47/80/30/632478030.db2.gz BCTJZNBBAQXLPP-IBGZPJMESA-N 1 1 318.461 3.022 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nnc(CC)[nH]1 ZINC000852018260 632540397 /nfs/dbraw/zinc/54/03/97/632540397.db2.gz KTAWZVQMKPUFCZ-ZDUSSCGKSA-N 1 1 302.422 3.436 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)c1nnc(CC)[nH]1 ZINC000852018259 632540603 /nfs/dbraw/zinc/54/06/03/632540603.db2.gz KTAWZVQMKPUFCZ-CYBMUJFWSA-N 1 1 302.422 3.436 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cc2c(cc1O)CCCC2 ZINC000185404135 660221553 /nfs/dbraw/zinc/22/15/53/660221553.db2.gz IHJHDYDQWAYAPQ-GJZGRUSLSA-N 1 1 302.462 3.263 20 10 DGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000072953291 660232028 /nfs/dbraw/zinc/23/20/28/660232028.db2.gz LTBPNKYAIJJSGY-UHFFFAOYSA-N 1 1 310.441 3.464 20 10 DGCDMO Cc1cc(C[N@H+](C)Cc2ccccc2O)cnc1Br ZINC000929976032 661355006 /nfs/dbraw/zinc/35/50/06/661355006.db2.gz LRTIPNUKKHVRSA-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO COC[C@]1(C)CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707165976 660892526 /nfs/dbraw/zinc/89/25/26/660892526.db2.gz MZBHCECPBJYARR-CQSZACIVSA-N 1 1 314.223 3.013 20 10 DGCDMO CCC[C@H](C[NH2+]Cc1cccc(Br)c1O)OCC ZINC000707865651 660917317 /nfs/dbraw/zinc/91/73/17/660917317.db2.gz SKXIQPBKDMKXBS-GFCCVEGCSA-N 1 1 316.239 3.450 20 10 DGCDMO C[C@@H]1COCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792827283 660986983 /nfs/dbraw/zinc/98/69/83/660986983.db2.gz BLVJAGUHJAEYQL-LBPRGKRZSA-N 1 1 316.367 3.240 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000793246508 661017182 /nfs/dbraw/zinc/01/71/82/661017182.db2.gz JXUDCWDMLTUINE-BGYRXZFFSA-N 1 1 322.452 3.264 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000793246508 661017186 /nfs/dbraw/zinc/01/71/86/661017186.db2.gz JXUDCWDMLTUINE-BGYRXZFFSA-N 1 1 322.452 3.264 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@]2(C)CO)c(C(F)(F)F)c1 ZINC000793157878 661008361 /nfs/dbraw/zinc/00/83/61/661008361.db2.gz KKHWGFZJDCKADP-OAHLLOKOSA-N 1 1 316.367 3.118 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@](C)(C(N)=O)C2)cc1 ZINC000793388687 661029338 /nfs/dbraw/zinc/02/93/38/661029338.db2.gz FFTTUTFCRKVXLX-IBGZPJMESA-N 1 1 317.477 3.010 20 10 DGCDMO OCC[C@H]1CCCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000793610320 661049945 /nfs/dbraw/zinc/04/99/45/661049945.db2.gz TVGXHBFIHXQUCD-LLVKDONJSA-N 1 1 301.789 3.312 20 10 DGCDMO OCC[C@H]1CCCCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000793610320 661049947 /nfs/dbraw/zinc/04/99/47/661049947.db2.gz TVGXHBFIHXQUCD-LLVKDONJSA-N 1 1 301.789 3.312 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1C(C)C ZINC000794707405 661100435 /nfs/dbraw/zinc/10/04/35/661100435.db2.gz RWIORVCONDVEOQ-DNVCBOLYSA-N 1 1 319.445 3.204 20 10 DGCDMO COc1ccc(N2CCN(c3cc[nH+]cc3Cl)CC2)cc1F ZINC000175729184 655538869 /nfs/dbraw/zinc/53/88/69/655538869.db2.gz JVMXRDWDEXQBKH-UHFFFAOYSA-N 1 1 321.783 3.209 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H](C(F)(F)F)OC[C@@H]2C)c1 ZINC000795689835 661167871 /nfs/dbraw/zinc/16/78/71/661167871.db2.gz GOTXJUATXSPTBY-AAEUAGOBSA-N 1 1 303.324 3.161 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](C(F)(F)F)OC[C@@H]2C)c1 ZINC000795689835 661167873 /nfs/dbraw/zinc/16/78/73/661167873.db2.gz GOTXJUATXSPTBY-AAEUAGOBSA-N 1 1 303.324 3.161 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC=C(c3ccncc3)C2)c1O ZINC000795737182 661170347 /nfs/dbraw/zinc/17/03/47/661170347.db2.gz ZRVNIJNKEKOGDL-UHFFFAOYSA-N 1 1 310.397 3.394 20 10 DGCDMO Cc1noc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)CCCC3)n1 ZINC000795750996 661171211 /nfs/dbraw/zinc/17/12/11/661171211.db2.gz AYKJTPLHRQZFAJ-INIZCTEOSA-N 1 1 313.401 3.300 20 10 DGCDMO Nc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000309942389 655888097 /nfs/dbraw/zinc/88/80/97/655888097.db2.gz XTVAXSAFSBCBLN-GOSISDBHSA-N 1 1 324.428 3.055 20 10 DGCDMO Nc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000309942390 655888126 /nfs/dbraw/zinc/88/81/26/655888126.db2.gz XTVAXSAFSBCBLN-SFHVURJKSA-N 1 1 324.428 3.055 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)CCOc2ccccc2C)c1 ZINC000179620692 656086262 /nfs/dbraw/zinc/08/62/62/656086262.db2.gz HPAMVHSRBKSFKX-UHFFFAOYSA-N 1 1 301.386 3.220 20 10 DGCDMO c1cc(N2CCCCC2)ccc1CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000236676801 656113624 /nfs/dbraw/zinc/11/36/24/656113624.db2.gz LTISOUGZWPHBQU-UXHICEINSA-N 1 1 313.489 3.393 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000236676801 656113633 /nfs/dbraw/zinc/11/36/33/656113633.db2.gz LTISOUGZWPHBQU-UXHICEINSA-N 1 1 313.489 3.393 20 10 DGCDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000931256364 656193765 /nfs/dbraw/zinc/19/37/65/656193765.db2.gz XUJNONVFVOQBOR-AWEZNQCLSA-N 1 1 310.388 3.143 20 10 DGCDMO C[C@H]1SCC[N@H+](Cc2cccc(Br)c2O)[C@@H]1C ZINC000093501022 656356330 /nfs/dbraw/zinc/35/63/30/656356330.db2.gz MBRMPMYUBIWGCC-NXEZZACHSA-N 1 1 316.264 3.481 20 10 DGCDMO C[C@H]1SCC[N@@H+](Cc2cccc(Br)c2O)[C@@H]1C ZINC000093501022 656356333 /nfs/dbraw/zinc/35/63/33/656356333.db2.gz MBRMPMYUBIWGCC-NXEZZACHSA-N 1 1 316.264 3.481 20 10 DGCDMO CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000320265944 656939125 /nfs/dbraw/zinc/93/91/25/656939125.db2.gz SFWDBWHUAWPGOQ-IBGZPJMESA-N 1 1 315.505 3.497 20 10 DGCDMO Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@H]1CCC=CO1 ZINC000248741487 657034489 /nfs/dbraw/zinc/03/44/89/657034489.db2.gz AENZKKSRNXWOJH-SJORKVTESA-N 1 1 303.402 3.066 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCOC3(CCCCC3)C2)c1O ZINC000178895029 657111198 /nfs/dbraw/zinc/11/11/98/657111198.db2.gz IPTIVZCWFPABOW-UHFFFAOYSA-N 1 1 305.418 3.244 20 10 DGCDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000320570286 657600886 /nfs/dbraw/zinc/60/08/86/657600886.db2.gz QCPPYHQSWBHYGE-NXEZZACHSA-N 1 1 315.348 3.113 20 10 DGCDMO CC[N@H+]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000320628090 657647255 /nfs/dbraw/zinc/64/72/55/657647255.db2.gz BCSMDBIJVMSHIL-LBPRGKRZSA-N 1 1 324.852 3.164 20 10 DGCDMO C[C@H]([NH2+]Cc1cccc(Br)c1O)c1cccnc1 ZINC000042411779 658772667 /nfs/dbraw/zinc/77/26/67/658772667.db2.gz WYVUQCLNZKUDAS-JTQLQIEISA-N 1 1 307.191 3.401 20 10 DGCDMO Cc1noc([C@H]2CCC[N@@H+](Cc3cc(C)cc(C)c3O)C2)n1 ZINC000164210105 658921923 /nfs/dbraw/zinc/92/19/23/658921923.db2.gz FJBQXXDZWGXVNE-AWEZNQCLSA-N 1 1 301.390 3.080 20 10 DGCDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164264934 658923083 /nfs/dbraw/zinc/92/30/83/658923083.db2.gz WMVWBKJDUWHRML-MRXNPFEDSA-N 1 1 318.461 3.137 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000157501239 659064972 /nfs/dbraw/zinc/06/49/72/659064972.db2.gz BWFYZSFQCMAUJG-UHFFFAOYSA-N 1 1 306.425 3.427 20 10 DGCDMO C[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1ccc(F)cc1O ZINC000170788847 659238191 /nfs/dbraw/zinc/23/81/91/659238191.db2.gz SINXJPJXXJMTQT-SUMWQHHRSA-N 1 1 302.393 3.485 20 10 DGCDMO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000171937752 659307673 /nfs/dbraw/zinc/30/76/73/659307673.db2.gz VDBKGQUYBWMJPF-CQSZACIVSA-N 1 1 312.413 3.414 20 10 DGCDMO CC[N@@H+](CCOC(C)C)Cc1cc(Br)ccc1O ZINC000174426596 659431692 /nfs/dbraw/zinc/43/16/92/659431692.db2.gz ISINFINOBSGOKG-UHFFFAOYSA-N 1 1 316.239 3.402 20 10 DGCDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000179887955 659945842 /nfs/dbraw/zinc/94/58/42/659945842.db2.gz PXZVHAKJGAVGAI-GOSISDBHSA-N 1 1 316.445 3.204 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCOC3(CCCCC3)C2)c1O ZINC000179935053 659946529 /nfs/dbraw/zinc/94/65/29/659946529.db2.gz ODJSKVSUGMCUQC-UHFFFAOYSA-N 1 1 305.418 3.326 20 10 DGCDMO Cc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000180067786 659951492 /nfs/dbraw/zinc/95/14/92/659951492.db2.gz BAYUXPSARSMERA-OAHLLOKOSA-N 1 1 320.433 3.142 20 10 DGCDMO Cc1cccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1O ZINC000183209575 660104492 /nfs/dbraw/zinc/10/44/92/660104492.db2.gz DYOMLPRECVZRFY-KRWDZBQOSA-N 1 1 301.361 3.493 20 10 DGCDMO C[N@H+]1CCN(Cc2cc(F)ccc2O)[C@H](c2ccccc2)C1 ZINC000183246794 660106453 /nfs/dbraw/zinc/10/64/53/660106453.db2.gz VXNCAXFSCOJEFV-KRWDZBQOSA-N 1 1 300.377 3.020 20 10 DGCDMO CCc1ncc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000929970751 661354743 /nfs/dbraw/zinc/35/47/43/661354743.db2.gz KUUYIFGZUXJQDJ-HNNXBMFYSA-N 1 1 316.401 3.124 20 10 DGCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929976235 661355056 /nfs/dbraw/zinc/35/50/56/661355056.db2.gz MKYPESAXGKCUEG-OCCSQVGLSA-N 1 1 303.324 3.324 20 10 DGCDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000931330833 661468244 /nfs/dbraw/zinc/46/82/44/661468244.db2.gz BSSNTIYNMCZHIL-HKUYNNGSSA-N 1 1 300.446 3.288 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCc3nc[nH]c3C23CCC3)cc1 ZINC000931680069 661496903 /nfs/dbraw/zinc/49/69/03/661496903.db2.gz LTQLEZPUENKUIB-UHFFFAOYSA-N 1 1 310.445 3.303 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCOC23CCCC3)c1O ZINC000934394245 661704080 /nfs/dbraw/zinc/70/40/80/661704080.db2.gz FNCSMEOVBZNPBF-HNNXBMFYSA-N 1 1 323.820 3.440 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCCCO2)c1O ZINC000048949093 661897713 /nfs/dbraw/zinc/89/77/13/661897713.db2.gz YZGOBBYNKBZSSV-CQSZACIVSA-N 1 1 311.809 3.249 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@@]2(CO)CC(C)C)c1O ZINC000188038506 661912194 /nfs/dbraw/zinc/91/21/94/661912194.db2.gz RTRVCERRJMTZTR-SFHVURJKSA-N 1 1 307.434 3.164 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CCCCCC1 ZINC000076074507 661966570 /nfs/dbraw/zinc/96/65/70/661966570.db2.gz RQCNLKNOWOWRPU-MRXNPFEDSA-N 1 1 318.461 3.395 20 10 DGCDMO COC[C@@H]1C[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC000190218108 662023402 /nfs/dbraw/zinc/02/34/02/662023402.db2.gz WSQFWLLCDDRWNI-HOCLYGCPSA-N 1 1 321.461 3.234 20 10 DGCDMO CC[C@@H]([NH2+]Cc1n[nH]cc1Br)c1ccccc1O ZINC000718126279 662230010 /nfs/dbraw/zinc/23/00/10/662230010.db2.gz DJGSCLAQLAVPNE-LLVKDONJSA-N 1 1 310.195 3.119 20 10 DGCDMO CCC[N@@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)Cc1ccccc1O ZINC000247575827 662326059 /nfs/dbraw/zinc/32/60/59/662326059.db2.gz SEXOQRJURNCEKB-HZPDHXFCSA-N 1 1 318.461 3.394 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2CN2CCCCC2)c1 ZINC000092219115 662328549 /nfs/dbraw/zinc/32/85/49/662328549.db2.gz QEQSRXRCSYJQGF-KRWDZBQOSA-N 1 1 318.461 3.241 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2CN2CCCCC2)c1 ZINC000092219115 662328550 /nfs/dbraw/zinc/32/85/50/662328550.db2.gz QEQSRXRCSYJQGF-KRWDZBQOSA-N 1 1 318.461 3.241 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000092253910 662329182 /nfs/dbraw/zinc/32/91/82/662329182.db2.gz YBYOAUOXGSWUAM-SFHVURJKSA-N 1 1 303.494 3.306 20 10 DGCDMO CCN(CC)c1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000092253910 662329184 /nfs/dbraw/zinc/32/91/84/662329184.db2.gz YBYOAUOXGSWUAM-SFHVURJKSA-N 1 1 303.494 3.306 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1 ZINC000092253910 662329187 /nfs/dbraw/zinc/32/91/87/662329187.db2.gz YBYOAUOXGSWUAM-SFHVURJKSA-N 1 1 303.494 3.306 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1 ZINC000092253910 662329189 /nfs/dbraw/zinc/32/91/89/662329189.db2.gz YBYOAUOXGSWUAM-SFHVURJKSA-N 1 1 303.494 3.306 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](CC)Cc2cnn(C)c2)cc1 ZINC000092438194 662330986 /nfs/dbraw/zinc/33/09/86/662330986.db2.gz OCKLMHQEMFSKQS-UHFFFAOYSA-N 1 1 300.450 3.288 20 10 DGCDMO C[N@H+](CCOCC1CC1)Cc1cccc(Br)c1O ZINC000093818592 662360383 /nfs/dbraw/zinc/36/03/83/662360383.db2.gz HPIUTGWZSLNLSV-UHFFFAOYSA-N 1 1 314.223 3.013 20 10 DGCDMO C[N@@H+](CCOCC1CC1)Cc1cccc(Br)c1O ZINC000093818592 662360385 /nfs/dbraw/zinc/36/03/85/662360385.db2.gz HPIUTGWZSLNLSV-UHFFFAOYSA-N 1 1 314.223 3.013 20 10 DGCDMO COC[C@]1(C)CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000381392521 685157875 /nfs/dbraw/zinc/15/78/75/685157875.db2.gz SJTNWUJTXMMHGI-CQSZACIVSA-N 1 1 314.223 3.013 20 10 DGCDMO COC[C@]1(C)CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000381392521 685157878 /nfs/dbraw/zinc/15/78/78/685157878.db2.gz SJTNWUJTXMMHGI-CQSZACIVSA-N 1 1 314.223 3.013 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000382758314 685164522 /nfs/dbraw/zinc/16/45/22/685164522.db2.gz SXVBOOSOTRRSNN-OAHLLOKOSA-N 1 1 324.428 3.007 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000382758314 685164525 /nfs/dbraw/zinc/16/45/25/685164525.db2.gz SXVBOOSOTRRSNN-OAHLLOKOSA-N 1 1 324.428 3.007 20 10 DGCDMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(N)cc1 ZINC001577665629 1191911755 /nfs/dbraw/zinc/91/17/55/1191911755.db2.gz JKSBKWVHKPVGLO-UHFFFAOYSA-N 1 1 319.355 3.008 20 10 DGCDMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(N)cc1 ZINC001577665629 1191911758 /nfs/dbraw/zinc/91/17/58/1191911758.db2.gz JKSBKWVHKPVGLO-UHFFFAOYSA-N 1 1 319.355 3.008 20 10 DGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1Cl ZINC001579638498 1191983461 /nfs/dbraw/zinc/98/34/61/1191983461.db2.gz ZPZULMHJNVWGCH-UHFFFAOYSA-N 1 1 302.805 3.247 20 10 DGCDMO CN(CC[NH2+]Cc1cc(F)cc(F)c1O)Cc1ccc(F)cc1 ZINC001620829064 1192270680 /nfs/dbraw/zinc/27/06/80/1192270680.db2.gz OLMVZGIJWDENDW-UHFFFAOYSA-N 1 1 324.346 3.031 20 10 DGCDMO NCC[N@H+](CCc1ccccc1)Cc1ccc(N2CCCC2)cc1 ZINC001332358318 1178427031 /nfs/dbraw/zinc/42/70/31/1178427031.db2.gz HEHVOVUBBSFJRY-UHFFFAOYSA-N 1 1 323.484 3.290 20 10 DGCDMO NCC[N@@H+](CCc1ccccc1)Cc1ccc(N2CCCC2)cc1 ZINC001332358318 1178427034 /nfs/dbraw/zinc/42/70/34/1178427034.db2.gz HEHVOVUBBSFJRY-UHFFFAOYSA-N 1 1 323.484 3.290 20 10 DGCDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001336116220 1178995387 /nfs/dbraw/zinc/99/53/87/1178995387.db2.gz DAOWOWCOGLYCMX-QGZVFWFLSA-N 1 1 317.477 3.177 20 10 DGCDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001343089210 1179232532 /nfs/dbraw/zinc/23/25/32/1179232532.db2.gz KBLJKGQAVWXSGJ-IBGZPJMESA-N 1 1 302.462 3.271 20 10 DGCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001343287879 1179252194 /nfs/dbraw/zinc/25/21/94/1179252194.db2.gz YOYVLWFSEHPQOT-FLFBIERCSA-N 1 1 312.457 3.142 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC001343335255 1179258334 /nfs/dbraw/zinc/25/83/34/1179258334.db2.gz WLRVMTGTVHTLJN-HZSPNIEDSA-N 1 1 308.853 3.208 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3c([O-])cccc3Cl)C[C@@H]2C1 ZINC001343335255 1179258343 /nfs/dbraw/zinc/25/83/43/1179258343.db2.gz WLRVMTGTVHTLJN-HZSPNIEDSA-N 1 1 308.853 3.208 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c([O-])cccc3Cl)C[C@@H]2C1 ZINC001343335255 1179258349 /nfs/dbraw/zinc/25/83/49/1179258349.db2.gz WLRVMTGTVHTLJN-HZSPNIEDSA-N 1 1 308.853 3.208 20 10 DGCDMO CCC[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CC[NH2+]CC1 ZINC001349321146 1179892839 /nfs/dbraw/zinc/89/28/39/1179892839.db2.gz YAOXXPPKCLKYRC-UHFFFAOYSA-N 1 1 301.478 3.251 20 10 DGCDMO CCC[N@H+](Cc1ccc(N2CCCC2)cc1)C1CCNCC1 ZINC001349321146 1179892852 /nfs/dbraw/zinc/89/28/52/1179892852.db2.gz YAOXXPPKCLKYRC-UHFFFAOYSA-N 1 1 301.478 3.251 20 10 DGCDMO CCC[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CCNCC1 ZINC001349321146 1179892859 /nfs/dbraw/zinc/89/28/59/1179892859.db2.gz YAOXXPPKCLKYRC-UHFFFAOYSA-N 1 1 301.478 3.251 20 10 DGCDMO C[C@@]1(C2CC2)C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001350592647 1180090351 /nfs/dbraw/zinc/09/03/51/1180090351.db2.gz BBMJQWWLBVHSKH-IBGZPJMESA-N 1 1 300.446 3.288 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]2C1 ZINC001352114251 1180299416 /nfs/dbraw/zinc/29/94/16/1180299416.db2.gz ZKNRPPKWHDEAAS-DVOMOZLQSA-N 1 1 308.853 3.208 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]2C1 ZINC001352114251 1180299420 /nfs/dbraw/zinc/29/94/20/1180299420.db2.gz ZKNRPPKWHDEAAS-DVOMOZLQSA-N 1 1 308.853 3.208 20 10 DGCDMO Nc1ccc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC001352788638 1180399125 /nfs/dbraw/zinc/39/91/25/1180399125.db2.gz FTZFRPKKEGZGME-HXUWFJFHSA-N 1 1 310.441 3.493 20 10 DGCDMO C[N@H+](Cc1ccns1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC001353209796 1180495037 /nfs/dbraw/zinc/49/50/37/1180495037.db2.gz YKNVMHYTKCVDPA-UHFFFAOYSA-N 1 1 306.431 3.484 20 10 DGCDMO C[N@@H+](Cc1ccns1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC001353209796 1180495043 /nfs/dbraw/zinc/49/50/43/1180495043.db2.gz YKNVMHYTKCVDPA-UHFFFAOYSA-N 1 1 306.431 3.484 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCO[C@](C)(C3CC3)C2)cc1 ZINC001474626062 1181595466 /nfs/dbraw/zinc/59/54/66/1181595466.db2.gz RYFCNWOIRKCHEI-PXPVJAHISA-N 1 1 300.446 3.267 20 10 DGCDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cccc(O)c3O)c2C1 ZINC001443084900 1182093803 /nfs/dbraw/zinc/09/38/03/1182093803.db2.gz ADQGISOREJTEKX-UHFFFAOYSA-N 1 1 312.369 3.076 20 10 DGCDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cccc(O)c3O)c2C1 ZINC001443084900 1182093808 /nfs/dbraw/zinc/09/38/08/1182093808.db2.gz ADQGISOREJTEKX-UHFFFAOYSA-N 1 1 312.369 3.076 20 10 DGCDMO Cc1cc(C[N@H+]2CCN(C)[C@H](C(C)(C)C)C2)ccc1N(C)C ZINC001460329347 1182677745 /nfs/dbraw/zinc/67/77/45/1182677745.db2.gz PBRKDLOXLDXEDL-SFHVURJKSA-N 1 1 303.494 3.223 20 10 DGCDMO Cc1cc(CN2CC[N@H+](C)[C@H](C(C)(C)C)C2)ccc1N(C)C ZINC001460329347 1182677747 /nfs/dbraw/zinc/67/77/47/1182677747.db2.gz PBRKDLOXLDXEDL-SFHVURJKSA-N 1 1 303.494 3.223 20 10 DGCDMO Cc1cc(CN2CC[N@@H+](C)[C@H](C(C)(C)C)C2)ccc1N(C)C ZINC001460329347 1182677749 /nfs/dbraw/zinc/67/77/49/1182677749.db2.gz PBRKDLOXLDXEDL-SFHVURJKSA-N 1 1 303.494 3.223 20 10 DGCDMO COCC1([N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)CCC1 ZINC001460734522 1182715296 /nfs/dbraw/zinc/71/52/96/1182715296.db2.gz RDDZCBOQTSPMAI-UHFFFAOYSA-N 1 1 311.809 3.249 20 10 DGCDMO CCOCc1cc(CNC[C@H](C)C[NH+]2CCCC2)ccc1OC ZINC001461065771 1182762988 /nfs/dbraw/zinc/76/29/88/1182762988.db2.gz VRFVFYVLSYKOPE-INIZCTEOSA-N 1 1 320.477 3.053 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C[C@]34C[C@H]3CCCC4)cc2)CC1 ZINC001461758330 1182850463 /nfs/dbraw/zinc/85/04/63/1182850463.db2.gz YAVSOXOVPITKMM-QUCCMNQESA-N 1 1 313.489 3.108 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCN(C)CC23CCCCC3)c1O ZINC001461878920 1182869494 /nfs/dbraw/zinc/86/94/94/1182869494.db2.gz BBNPIFNSCIAIEW-UHFFFAOYSA-N 1 1 318.461 3.160 20 10 DGCDMO COc1cc(C)cc(CN2CC[N@H+](C)CC23CCCCC3)c1O ZINC001461878920 1182869496 /nfs/dbraw/zinc/86/94/96/1182869496.db2.gz BBNPIFNSCIAIEW-UHFFFAOYSA-N 1 1 318.461 3.160 20 10 DGCDMO COc1cc(C)cc(CN2CC[N@@H+](C)CC23CCCCC3)c1O ZINC001461878920 1182869505 /nfs/dbraw/zinc/86/95/05/1182869505.db2.gz BBNPIFNSCIAIEW-UHFFFAOYSA-N 1 1 318.461 3.160 20 10 DGCDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(F)cc(F)c1O ZINC001621328022 1193186347 /nfs/dbraw/zinc/18/63/47/1193186347.db2.gz JDLJZEKNYBWLIE-UHFFFAOYSA-N 1 1 322.311 3.253 20 10 DGCDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(F)cc(F)c1O ZINC001621328022 1193186348 /nfs/dbraw/zinc/18/63/48/1193186348.db2.gz JDLJZEKNYBWLIE-UHFFFAOYSA-N 1 1 322.311 3.253 20 10 DGCDMO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cc(F)c(F)cc2O)c1 ZINC001462139849 1182913889 /nfs/dbraw/zinc/91/38/89/1182913889.db2.gz ZJSNBJNCKGWGGE-QGZVFWFLSA-N 1 1 307.340 3.110 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@]3(CCO[C@@H]3C)C2)c1 ZINC001462179264 1182918927 /nfs/dbraw/zinc/91/89/27/1182918927.db2.gz NACHXLOEFQMLTE-SPYBWZPUSA-N 1 1 319.445 3.284 20 10 DGCDMO CC[C@@H]1C[N@H+](Cc2cc(C(C)C)ccc2O)C[C@@H](C)[S@@]1=O ZINC001462218846 1182924650 /nfs/dbraw/zinc/92/46/50/1182924650.db2.gz HQWBGUAQKYGPLS-FQWGINHLSA-N 1 1 309.475 3.247 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C(C)C)ccc2O)C[C@@H](C)[S@@]1=O ZINC001462218846 1182924654 /nfs/dbraw/zinc/92/46/54/1182924654.db2.gz HQWBGUAQKYGPLS-FQWGINHLSA-N 1 1 309.475 3.247 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cnc(F)cc2C)cc1 ZINC001462405745 1182947715 /nfs/dbraw/zinc/94/77/15/1182947715.db2.gz SGDNTLROZCZIPD-UHFFFAOYSA-N 1 1 317.408 3.106 20 10 DGCDMO CC[C@]1(O)CCC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC001462497309 1182961324 /nfs/dbraw/zinc/96/13/24/1182961324.db2.gz WBINOVXAXLRCDH-IBGZPJMESA-N 1 1 321.461 3.435 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](CC[C@H]2COC(C)(C)O2)C2CC2)cc1 ZINC001473114799 1183717555 /nfs/dbraw/zinc/71/75/55/1183717555.db2.gz HQCZPBNQGXJHLT-SFHVURJKSA-N 1 1 318.461 3.259 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)ccc1N(C)C ZINC001473737493 1183795860 /nfs/dbraw/zinc/79/58/60/1183795860.db2.gz KRYFRZGGVIJHGU-UHOSZYNNSA-N 1 1 302.462 3.186 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)cc1 ZINC001473874070 1183816385 /nfs/dbraw/zinc/81/63/85/1183816385.db2.gz QVFVEJUYALOJHZ-TZIWHRDSSA-N 1 1 324.468 3.178 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC001474361026 1183910521 /nfs/dbraw/zinc/91/05/21/1183910521.db2.gz JEOMNUPXXWZPEV-AATRIKPKSA-N 1 1 300.446 3.411 20 10 DGCDMO CC[N@H+]1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@@H]1C ZINC001474380313 1183913198 /nfs/dbraw/zinc/91/31/98/1183913198.db2.gz OKQCUQVVPBSQPW-AWEZNQCLSA-N 1 1 320.477 3.224 20 10 DGCDMO CCN1CC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@@H]1C ZINC001474380313 1183913199 /nfs/dbraw/zinc/91/31/99/1183913199.db2.gz OKQCUQVVPBSQPW-AWEZNQCLSA-N 1 1 320.477 3.224 20 10 DGCDMO CCN1CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@@H]1C ZINC001474380313 1183913201 /nfs/dbraw/zinc/91/32/01/1183913201.db2.gz OKQCUQVVPBSQPW-AWEZNQCLSA-N 1 1 320.477 3.224 20 10 DGCDMO COc1ccc(OCC[N@@H+](C)Cc2ccc(C)cc2O)cc1 ZINC001474406629 1183917157 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C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC001474716774 1183968184 /nfs/dbraw/zinc/96/81/84/1183968184.db2.gz SMCPNGXXEOMKKN-LBPRGKRZSA-N 1 1 316.367 3.382 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)ccc1N1CCCCC1 ZINC001616825185 1193548426 /nfs/dbraw/zinc/54/84/26/1193548426.db2.gz XTHRXWPZDQKUFX-HNAYVOBHSA-N 1 1 302.462 3.188 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@H](C(C)(C)C)CC2)c1O ZINC001560235384 1189295393 /nfs/dbraw/zinc/29/53/93/1189295393.db2.gz JBQMJPSGLPJIAY-MRXNPFEDSA-N 1 1 323.408 3.371 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@H](C(C)(C)C)CC2)c1O ZINC001560235384 1189295396 /nfs/dbraw/zinc/29/53/96/1189295396.db2.gz JBQMJPSGLPJIAY-MRXNPFEDSA-N 1 1 323.408 3.371 20 10 DGCDMO CC[C@H](C)[C@@H](C[N@H+]1CCCN(c2ccc(OC)cc2)CC1)OC ZINC001560648968 1189355603 /nfs/dbraw/zinc/35/56/03/1189355603.db2.gz ZIXROKODJZAUCN-QFBILLFUSA-N 1 1 320.477 3.268 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(O)c(OC)c2)c(O)c1 ZINC001560727405 1189368950 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C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1c(O)cccc1F ZINC001561015924 1189420468 /nfs/dbraw/zinc/42/04/68/1189420468.db2.gz KLWGIQCJMYMIQS-LBPRGKRZSA-N 1 1 317.360 3.371 20 10 DGCDMO CCOC(=O)[C@]12CCC[C@H]1C[C@H]([NH2+]Cc1c(O)cccc1F)C2 ZINC001561016008 1189420588 /nfs/dbraw/zinc/42/05/88/1189420588.db2.gz MKEBYOSQOANZGM-LXIYXOSZSA-N 1 1 321.392 3.133 20 10 DGCDMO Oc1cc(Cl)ccc1C[NH2+]CCc1cccc2c1OCCO2 ZINC001561020045 1189421566 /nfs/dbraw/zinc/42/15/66/1189421566.db2.gz VGVXLCZVKMNBSN-UHFFFAOYSA-N 1 1 319.788 3.149 20 10 DGCDMO Nc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000020425651 1191431114 /nfs/dbraw/zinc/43/11/14/1191431114.db2.gz OIXWPTJUNCGHMN-UHFFFAOYSA-N 1 1 301.821 3.244 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CC[C@@H](C)[C@H]2C)c2cc(F)ccc2n1C ZINC001621136602 1193807264 /nfs/dbraw/zinc/80/72/64/1193807264.db2.gz VXYDQCVYGQTPKA-VXGBXAGGSA-N 1 1 318.392 3.334 20 10 DGCDMO C[N@H+](Cc1ccc(Cl)cc1O)C[C@@H]1COc2ccccc2O1 ZINC001621223719 1193818319 /nfs/dbraw/zinc/81/83/19/1193818319.db2.gz UOUHJMBTWKBOLD-CQSZACIVSA-N 1 1 319.788 3.317 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC001621373258 1193834747 /nfs/dbraw/zinc/83/47/47/1193834747.db2.gz SEDQWFNXNVLILN-ZDUSSCGKSA-N 1 1 312.200 3.343 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C[C@H]1C(=O)OC(C)(C)C ZINC001621408995 1193838189 /nfs/dbraw/zinc/83/81/89/1193838189.db2.gz OAENXTUKOYSXOW-GXTWGEPZSA-N 1 1 323.408 3.331 20 10 DGCDMO C[C@H]1CC[N@H+](Cc2cccc(F)c2O)C[C@H]1C(=O)OC(C)(C)C ZINC001621408995 1193838194 /nfs/dbraw/zinc/83/81/94/1193838194.db2.gz OAENXTUKOYSXOW-GXTWGEPZSA-N 1 1 323.408 3.331 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C[C@H]1C(=O)OC(C)(C)C ZINC001621408995 1193838195 /nfs/dbraw/zinc/83/81/95/1193838195.db2.gz OAENXTUKOYSXOW-GXTWGEPZSA-N 1 1 323.408 3.331 20 10 DGCDMO CC1(C)CCN(CC[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC001621560325 1193858452 /nfs/dbraw/zinc/85/84/52/1193858452.db2.gz KIRUAUJHNHBAOT-UHFFFAOYSA-N 1 1 300.805 3.006 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C3CCCCCC3)cc2)CC1 ZINC000039129909 1194065001 /nfs/dbraw/zinc/06/50/01/1194065001.db2.gz ZBYZQWXZFHJFCJ-UHFFFAOYSA-N 1 1 301.478 3.251 20 10 DGCDMO C[NH+](C)Cc1ccc(C(=O)NCc2c(O)ccc3ccccc32)o1 ZINC001635969633 1194582946 /nfs/dbraw/zinc/58/29/46/1194582946.db2.gz UPCYFCCMAWCCPG-UHFFFAOYSA-N 1 1 324.380 3.130 20 10 DGCDMO O=C(Nc1c[nH+]ccc1Nc1ccccc1)C1=CC(=O)CS1 ZINC001640548015 1194819374 /nfs/dbraw/zinc/81/93/74/1194819374.db2.gz WNEVPLZNSXJHFF-UHFFFAOYSA-N 1 1 311.366 3.267 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2C[C@H]3CCC[C@@H]3O2)cc1 ZINC001646717628 1195236674 /nfs/dbraw/zinc/23/66/74/1195236674.db2.gz BVAPLALEKQDNOT-MNEFBYGVSA-N 1 1 318.461 3.021 20 10 DGCDMO COC(=O)C[N@@H+](Cc1ccc(N(C)C)c(C)c1)C1CCCCC1 ZINC001647471817 1195248081 /nfs/dbraw/zinc/24/80/81/1195248081.db2.gz ACSPBSORXJLSKY-UHFFFAOYSA-N 1 1 318.461 3.369 20 10 DGCDMO O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001647794934 1195254212 /nfs/dbraw/zinc/25/42/12/1195254212.db2.gz USUAYJIPOJFESX-YJBOKZPZSA-N 1 1 324.424 3.179 20 10 DGCDMO CCOc1ccc(N(CCC[NH+]2CCOCC2)CC2CC2)cc1 ZINC001648030752 1195271795 /nfs/dbraw/zinc/27/17/95/1195271795.db2.gz UZBFYQIDDLEBRE-UHFFFAOYSA-N 1 1 318.461 3.024 20 10 DGCDMO CC(C)[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001648591426 1195311211 /nfs/dbraw/zinc/31/12/11/1195311211.db2.gz LDGVNOFIRZHVHX-VQTJNVASSA-N 1 1 315.505 3.447 20 10 DGCDMO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(N(C)C)cc1 ZINC001648591426 1195311215 /nfs/dbraw/zinc/31/12/15/1195311215.db2.gz LDGVNOFIRZHVHX-VQTJNVASSA-N 1 1 315.505 3.447 20 10 DGCDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C12CCC2 ZINC001651894752 1195520892 /nfs/dbraw/zinc/52/08/92/1195520892.db2.gz UGUAOANDSAFFPA-HOTGVXAUSA-N 1 1 311.372 3.450 20 10 DGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C12CCC2 ZINC001651894752 1195520896 /nfs/dbraw/zinc/52/08/96/1195520896.db2.gz UGUAOANDSAFFPA-HOTGVXAUSA-N 1 1 311.372 3.450 20 10 DGCDMO Cc1ccc(C[N@H+](CCN(C)C)Cc2cccc(F)c2)c(O)c1 ZINC001652385039 1195590806 /nfs/dbraw/zinc/59/08/06/1195590806.db2.gz HEBVFUBOYCQCNE-UHFFFAOYSA-N 1 1 316.420 3.404 20 10 DGCDMO Cc1ccc(C[N@@H+](CCN(C)C)Cc2cccc(F)c2)c(O)c1 ZINC001652385039 1195590813 /nfs/dbraw/zinc/59/08/13/1195590813.db2.gz HEBVFUBOYCQCNE-UHFFFAOYSA-N 1 1 316.420 3.404 20 10 DGCDMO COC1(C)C[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC001652404134 1195593502 /nfs/dbraw/zinc/59/35/02/1195593502.db2.gz HJDJEHXKUKMWKH-UHFFFAOYSA-N 1 1 322.452 3.470 20 10 DGCDMO C[N@@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)Cc1ccccc1O ZINC001652732538 1195642696 /nfs/dbraw/zinc/64/26/96/1195642696.db2.gz VADAFBOCBSEGOJ-UHFFFAOYSA-N 1 1 321.380 3.187 20 10 DGCDMO CCc1cccc(C[N@H+]2CCS[C@H](C(F)(F)F)C2)c1O ZINC001653108631 1195688199 /nfs/dbraw/zinc/68/81/99/1195688199.db2.gz AQATWSGUOOLAFA-LBPRGKRZSA-N 1 1 305.365 3.434 20 10 DGCDMO CN(C)c1ccc(/C=C/C[NH+]2CC(C(=O)OC(C)(C)C)C2)cc1 ZINC001653253067 1195704302 /nfs/dbraw/zinc/70/43/02/1195704302.db2.gz XPWKEBHBOOAOII-VOTSOKGWSA-N 1 1 316.445 3.039 20 10 DGCDMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H](C)CC(C)C ZINC001654806263 1195842545 /nfs/dbraw/zinc/84/25/45/1195842545.db2.gz STVXOWDASNVKLO-OAHLLOKOSA-N 1 1 307.434 3.440 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]CCCC3CCCC3)cc2)CC1 ZINC001655169397 1195885837 /nfs/dbraw/zinc/88/58/37/1195885837.db2.gz SUEBYGMFOFQCOY-UHFFFAOYSA-N 1 1 315.505 3.498 20 10 DGCDMO COc1cc(OC)c(CNc2ccc3c(c2)[nH+]cn3C)cc1F ZINC001655819540 1195966492 /nfs/dbraw/zinc/96/64/92/1195966492.db2.gz ANAOWVHQCDZJJT-UHFFFAOYSA-N 1 1 315.348 3.342 20 10 DGCDMO CCc1nnc([C@H](C)[NH2+]Cc2ccc(N(CC)CC)cc2)[nH]1 ZINC001656027686 1195989538 /nfs/dbraw/zinc/98/95/38/1195989538.db2.gz BEZOYSZVGUZBBO-ZDUSSCGKSA-N 1 1 301.438 3.064 20 10 DGCDMO CCOCc1cc(CNCC[N@@H+]2CCC[C@@H](C)C2)ccc1OC ZINC001656044883 1195991198 /nfs/dbraw/zinc/99/11/98/1195991198.db2.gz PODXPXUIJFOYKO-MRXNPFEDSA-N 1 1 320.477 3.053 20 10 DGCDMO CCOCc1cc(CNCC[N@H+]2CCC[C@@H](C)C2)ccc1OC ZINC001656044883 1195991202 /nfs/dbraw/zinc/99/12/02/1195991202.db2.gz PODXPXUIJFOYKO-MRXNPFEDSA-N 1 1 320.477 3.053 20 10 DGCDMO CC(C)c1nnc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)[nH]1 ZINC001656040828 1195991213 /nfs/dbraw/zinc/99/12/13/1195991213.db2.gz KVZGRNIGJPXRLA-AWEZNQCLSA-N 1 1 313.449 3.379 20 10 DGCDMO COCCCCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC001656258154 1196024234 /nfs/dbraw/zinc/02/42/34/1196024234.db2.gz GPNYYQAQQXGCSS-UHFFFAOYSA-N 1 1 316.239 3.369 20 10 DGCDMO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001656636288 1196056621 /nfs/dbraw/zinc/05/66/21/1196056621.db2.gz QVFXCOZYLSTFOO-LPHOPBHVSA-N 1 1 301.478 3.107 20 10 DGCDMO C[C@H]1Cc2ccccc2N1CC[NH2+]Cc1cc(F)cc(F)c1O ZINC001656980026 1196089101 /nfs/dbraw/zinc/08/91/01/1196089101.db2.gz BNRGHDBIMXFNPM-LBPRGKRZSA-N 1 1 318.367 3.211 20 10 DGCDMO CCC[N@@H+](CC)C[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC001657472807 1196146732 /nfs/dbraw/zinc/14/67/32/1196146732.db2.gz DXYCZOYXCBCSEH-JJEJIETFSA-N 1 1 303.494 3.476 20 10 DGCDMO CCCN(CC)C[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001657472807 1196146735 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CN(C)c1ccc(C[N@@H+](C2CC2)C2COC2)c(C(F)(F)F)c1 ZINC001658174739 1196221354 /nfs/dbraw/zinc/22/13/54/1196221354.db2.gz VVIYBAZDEKFNCH-UHFFFAOYSA-N 1 1 314.351 3.135 20 10 DGCDMO CC[C@H]1CCC[N@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001658219263 1196225760 /nfs/dbraw/zinc/22/57/60/1196225760.db2.gz VPZDYWFGZNWFQH-ZDUSSCGKSA-N 1 1 318.392 3.478 20 10 DGCDMO COc1ncc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC001658721980 1196293365 /nfs/dbraw/zinc/29/33/65/1196293365.db2.gz VEGSQCIDAIELQB-UHFFFAOYSA-N 1 1 317.458 3.382 20 10 DGCDMO COc1ncc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC001658721980 1196293369 /nfs/dbraw/zinc/29/33/69/1196293369.db2.gz VEGSQCIDAIELQB-UHFFFAOYSA-N 1 1 317.458 3.382 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCN(C)c3ncccc3C2)cc1 ZINC001658776448 1196299275 /nfs/dbraw/zinc/29/92/75/1196299275.db2.gz XCKGEWREPRCADJ-WAYWQWQTSA-N 1 1 322.456 3.113 20 10 DGCDMO Oc1cccc(F)c1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC001658942426 1196321918 /nfs/dbraw/zinc/32/19/18/1196321918.db2.gz 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DGCDMO C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001205254990 1083876719 /nfs/dbraw/zinc/87/67/19/1083876719.db2.gz DDZAHDTZMIFKSR-CQSZACIVSA-N 1 1 303.233 3.402 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@@H]1O ZINC001183991401 1084084449 /nfs/dbraw/zinc/08/44/49/1084084449.db2.gz HJAUSXJRJOGGFB-KKSFZXQISA-N 1 1 322.452 3.062 20 10 DGCDMO Cc1noc([C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C(C)C)n1 ZINC001184440741 1084175713 /nfs/dbraw/zinc/17/57/13/1084175713.db2.gz UVBSDNUJMIHTCQ-INIZCTEOSA-N 1 1 302.422 3.239 20 10 DGCDMO CCCC[NH+]1CCC([N@H+](C)Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139689187 1084210007 /nfs/dbraw/zinc/21/00/07/1084210007.db2.gz DYEROJOEKUWFIR-UHFFFAOYSA-N 1 1 312.404 3.367 20 10 DGCDMO COC(=O)CC[N@@H+](Cc1ccco1)Cc1cc(Cl)ccc1O ZINC001203657024 1084778744 /nfs/dbraw/zinc/77/87/44/1084778744.db2.gz BZALPCOBXJLTOR-UHFFFAOYSA-N 1 1 323.776 3.204 20 10 DGCDMO COc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1C ZINC001167974275 1085914347 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C[N@H+](Cc1cc(F)c(F)cc1[O-])C[C@@H]1Cc2ccccc2O1 ZINC001142534675 1087279868 /nfs/dbraw/zinc/27/98/68/1087279868.db2.gz SBGCBMZCIHWMGJ-ZDUSSCGKSA-N 1 1 305.324 3.106 20 10 DGCDMO C[N@@H+](Cc1cc(F)c(F)cc1O)C[C@@H]1Cc2ccccc2O1 ZINC001142534675 1087279870 /nfs/dbraw/zinc/27/98/70/1087279870.db2.gz SBGCBMZCIHWMGJ-ZDUSSCGKSA-N 1 1 305.324 3.106 20 10 DGCDMO C[N@H+](Cc1cc(F)c(F)cc1O)C[C@@H]1Cc2ccccc2O1 ZINC001142534675 1087279872 /nfs/dbraw/zinc/27/98/72/1087279872.db2.gz SBGCBMZCIHWMGJ-ZDUSSCGKSA-N 1 1 305.324 3.106 20 10 DGCDMO Cc1ccn2cc(CN(C)Cc3cc(F)c(F)cc3[O-])nc2c1 ZINC001142534339 1087279987 /nfs/dbraw/zinc/27/99/87/1087279987.db2.gz GDGHJBSRULNJHC-UHFFFAOYSA-N 1 1 317.339 3.259 20 10 DGCDMO CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCCC[C@H](C[NH3+])C3)ccc2O1 ZINC001206649829 1088352200 /nfs/dbraw/zinc/35/22/00/1088352200.db2.gz ZQVHKOOORKTEBA-CQSZACIVSA-N 1 1 316.445 3.137 20 10 DGCDMO CC1(C)C=Cc2c([O-])c(C[N@H+]3CCCC[C@H](C[NH3+])C3)ccc2O1 ZINC001206649829 1088352209 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CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2O)C[C@H]2CCCC[C@@H]12 ZINC001203551369 1090754795 /nfs/dbraw/zinc/75/47/95/1090754795.db2.gz DYTDZQSLCYSKJZ-OIISXLGYSA-N 1 1 317.429 3.194 20 10 DGCDMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccccc1O ZINC001203561723 1090756867 /nfs/dbraw/zinc/75/68/67/1090756867.db2.gz YJHKDAJWZBXCOC-ZFWWWQNUSA-N 1 1 320.433 3.270 20 10 DGCDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1ccc(OC)cc1O ZINC001203629387 1090769451 /nfs/dbraw/zinc/76/94/51/1090769451.db2.gz ZQHVPMZWVAPIGV-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO COc1ccc(O)c(CN2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001203674881 1090777670 /nfs/dbraw/zinc/77/76/70/1090777670.db2.gz FCEBLVJJKHXHAQ-KRWDZBQOSA-N 1 1 318.461 3.241 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCOC[C@@H]2C2CCCCC2)c1 ZINC001203680841 1090778782 /nfs/dbraw/zinc/77/87/82/1090778782.db2.gz GZHAKXGZCIWQJP-QGZVFWFLSA-N 1 1 305.418 3.182 20 10 DGCDMO Oc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1O ZINC001203883720 1090826288 /nfs/dbraw/zinc/82/62/88/1090826288.db2.gz 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CCOC(=O)c1c(C[N@H+]2C[C@@H](F)C[C@H]2C)c2ccccc2n1C ZINC001233270652 1098270478 /nfs/dbraw/zinc/27/04/78/1098270478.db2.gz VLRFFQFRPIGCTL-OLZOCXBDSA-N 1 1 318.392 3.287 20 10 DGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC001233284486 1098275108 /nfs/dbraw/zinc/27/51/08/1098275108.db2.gz WTXJDZDTZQFRHD-AWEZNQCLSA-N 1 1 313.388 3.139 20 10 DGCDMO CN1CCC[C@@H]2C[N@@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@H]21 ZINC001233286815 1098275662 /nfs/dbraw/zinc/27/56/62/1098275662.db2.gz JQNRKSVYDMCPAE-RHSMWYFYSA-N 1 1 302.462 3.216 20 10 DGCDMO CN1C[C@H]2[C@H](C1)CCC[N@H+]2Cc1cc(C(C)(C)C)ccc1O ZINC001233286203 1098275721 /nfs/dbraw/zinc/27/57/21/1098275721.db2.gz JPVIWNCRZVMVBW-YOEHRIQHSA-N 1 1 302.462 3.216 20 10 DGCDMO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(C(C)(C)C)ccc1O ZINC001233286203 1098275725 /nfs/dbraw/zinc/27/57/25/1098275725.db2.gz JPVIWNCRZVMVBW-YOEHRIQHSA-N 1 1 302.462 3.216 20 10 DGCDMO C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(C(C)(C)C)ccc1O ZINC001233286203 1098275731 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HPFHWZOWHWKXLB-UHFFFAOYSA-N 1 1 303.494 3.306 20 10 DGCDMO CC(C)[C@@]1(CO)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001324333075 1108253517 /nfs/dbraw/zinc/25/35/17/1108253517.db2.gz FCANZIFPNQGAOV-HNNXBMFYSA-N 1 1 301.789 3.025 20 10 DGCDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001324333075 1108253524 /nfs/dbraw/zinc/25/35/24/1108253524.db2.gz FCANZIFPNQGAOV-HNNXBMFYSA-N 1 1 301.789 3.025 20 10 DGCDMO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001324337613 1108256157 /nfs/dbraw/zinc/25/61/57/1108256157.db2.gz SVUXVCJNZLPUDM-INIZCTEOSA-N 1 1 313.397 3.463 20 10 DGCDMO c1cc(N2CCCC2)ccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001319711308 1108604525 /nfs/dbraw/zinc/60/45/25/1108604525.db2.gz IKMJJXGNLCMBOG-IBGZPJMESA-N 1 1 313.489 3.205 20 10 DGCDMO CCN(CC)c1ccc(CN2CCC[N@H+]3CCC[C@@H]3C2)cc1F ZINC001319814293 1108648202 /nfs/dbraw/zinc/64/82/02/1108648202.db2.gz AMRRDHFWCTZDEP-QGZVFWFLSA-N 1 1 319.468 3.342 20 10 DGCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000701734560 1108981012 /nfs/dbraw/zinc/98/10/12/1108981012.db2.gz HGMNDUYZCOYLBF-CYBMUJFWSA-N 1 1 314.223 3.154 20 10 DGCDMO COc1ccc(N(C)CC[N@H+](C)C[C@H](OC)C2CCCC2)cc1 ZINC001307896394 1111353137 /nfs/dbraw/zinc/35/31/37/1111353137.db2.gz APTYXMASYGCEIP-IBGZPJMESA-N 1 1 320.477 3.268 20 10 DGCDMO C[C@H](CNCc1ccc(N(C)C)c(F)c1)[N@@H+]1CCCC[C@@H]1C ZINC001308201348 1111396597 /nfs/dbraw/zinc/39/65/97/1111396597.db2.gz CTBCWRJLQQEYJU-LSDHHAIUSA-N 1 1 307.457 3.244 20 10 DGCDMO C[C@H](CNCc1ccc(N(C)C)c(F)c1)[N@H+]1CCCC[C@@H]1C ZINC001308201348 1111396601 /nfs/dbraw/zinc/39/66/01/1111396601.db2.gz CTBCWRJLQQEYJU-LSDHHAIUSA-N 1 1 307.457 3.244 20 10 DGCDMO CCC[N@@H+]1CC[C@H](CNCc2ccc(OC)c(COCC)c2)C1 ZINC001308224019 1111400345 /nfs/dbraw/zinc/40/03/45/1111400345.db2.gz CDJIULLMKRFRLE-QGZVFWFLSA-N 1 1 320.477 3.053 20 10 DGCDMO CCC[N@H+]1CC[C@H](CNCc2ccc(OC)c(COCC)c2)C1 ZINC001308224019 1111400347 /nfs/dbraw/zinc/40/03/47/1111400347.db2.gz CDJIULLMKRFRLE-QGZVFWFLSA-N 1 1 320.477 3.053 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCCC3(C)C)cc2)CC1 ZINC001308313758 1111415045 /nfs/dbraw/zinc/41/50/45/1111415045.db2.gz JKTFMTVOABXLKE-LJQANCHMSA-N 1 1 315.505 3.497 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2CN2CCCCC2)c(O)c1 ZINC001308578633 1111447274 /nfs/dbraw/zinc/44/72/74/1111447274.db2.gz QGDBRIHCQLLCHA-MRXNPFEDSA-N 1 1 318.461 3.160 20 10 DGCDMO COc1cc(C)c(CN2CCC[C@@H]2C[NH+]2CCCCC2)c(O)c1 ZINC001308578633 1111447276 /nfs/dbraw/zinc/44/72/76/1111447276.db2.gz QGDBRIHCQLLCHA-MRXNPFEDSA-N 1 1 318.461 3.160 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]C1CCC(OC(F)F)CC1 ZINC001308770005 1111472700 /nfs/dbraw/zinc/47/27/00/1111472700.db2.gz PKDIZOVDJWYZKI-UHFFFAOYSA-N 1 1 307.287 3.310 20 10 DGCDMO CC[C@H](C[NH2+]Cc1cc(F)c(F)cc1O)C(=O)OC(C)(C)C ZINC001308947283 1111497710 /nfs/dbraw/zinc/49/77/10/1111497710.db2.gz ISLIWUPPAHSQLC-SNVBAGLBSA-N 1 1 315.360 3.128 20 10 DGCDMO Oc1cccc(F)c1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC001308947288 1111497839 /nfs/dbraw/zinc/49/78/39/1111497839.db2.gz BRCPFQRJPLCUTH-UHFFFAOYSA-N 1 1 315.323 3.146 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c(O)c1 ZINC001308952825 1111499438 /nfs/dbraw/zinc/49/94/38/1111499438.db2.gz TWJWKOIGBIWJDG-MRXNPFEDSA-N 1 1 319.445 3.348 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000179433415 432058742 /nfs/dbraw/zinc/05/87/42/432058742.db2.gz IXEIWZVULBBZQG-LLVKDONJSA-N 1 1 319.323 3.184 20 10 DGCDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180640949 432093603 /nfs/dbraw/zinc/09/36/03/432093603.db2.gz BRSMTQTYQLGGPA-CQSZACIVSA-N 1 1 305.809 3.289 20 10 DGCDMO COc1cccc(C[N@@H+](C)CCOCc2ccccc2)c1O ZINC000091937067 193128477 /nfs/dbraw/zinc/12/84/77/193128477.db2.gz OJUCOJUGUYIVBE-UHFFFAOYSA-N 1 1 301.386 3.049 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccccc2O)c(OC)c1OC ZINC000091956646 193131874 /nfs/dbraw/zinc/13/18/74/193131874.db2.gz TZRLMDDARNARRM-UHFFFAOYSA-N 1 1 317.385 3.050 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000091958678 193133044 /nfs/dbraw/zinc/13/30/44/193133044.db2.gz QQEDAJIBORUFLU-CABCVRRESA-N 1 1 317.385 3.082 20 10 DGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC)c2O)C12CCC2 ZINC000092040982 193146750 /nfs/dbraw/zinc/14/67/50/193146750.db2.gz UEIISLANRJOOAC-HZPDHXFCSA-N 1 1 305.418 3.180 20 10 DGCDMO CCOCc1cc(C[NH2+][C@H]2CCCc3c[nH]nc32)ccc1OC ZINC000268878668 432146518 /nfs/dbraw/zinc/14/65/18/432146518.db2.gz XEGSVAISUDZUFL-INIZCTEOSA-N 1 1 315.417 3.122 20 10 DGCDMO Oc1ccccc1C[N@@H+](C[C@H]1CCSC1)C[C@H]1CCCO1 ZINC000278392288 285397577 /nfs/dbraw/zinc/39/75/77/285397577.db2.gz AIXXADAQSIIVRB-GDBMZVCRSA-N 1 1 307.459 3.126 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272742556 130059688 /nfs/dbraw/zinc/05/96/88/130059688.db2.gz BFSUCUKWTQXJHO-FUHWJXTLSA-N 1 1 315.505 3.495 20 10 DGCDMO C[C@H](NCc1ccc(N(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272742556 130059689 /nfs/dbraw/zinc/05/96/89/130059689.db2.gz BFSUCUKWTQXJHO-FUHWJXTLSA-N 1 1 315.505 3.495 20 10 DGCDMO C[C@H](NCc1ccc(N(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272742556 130059691 /nfs/dbraw/zinc/05/96/91/130059691.db2.gz BFSUCUKWTQXJHO-FUHWJXTLSA-N 1 1 315.505 3.495 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1O ZINC000273427534 130120787 /nfs/dbraw/zinc/12/07/87/130120787.db2.gz UQCMOPPVOFCQLN-OCCSQVGLSA-N 1 1 321.367 3.172 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000284267091 131064819 /nfs/dbraw/zinc/06/48/19/131064819.db2.gz GRTAHIVDFASVKA-UONOGXRCSA-N 1 1 316.228 3.417 20 10 DGCDMO CC[C@@H]([NH2+]CCCn1nc(C)cc1C)c1ccc(F)cc1O ZINC000285494253 131173792 /nfs/dbraw/zinc/17/37/92/131173792.db2.gz CFHFOUKCWAIAPP-MRXNPFEDSA-N 1 1 305.397 3.476 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(F)cc1O ZINC000286036784 131217468 /nfs/dbraw/zinc/21/74/68/131217468.db2.gz KKGMESWMYUJTTE-SJLPKXTDSA-N 1 1 303.377 3.480 20 10 DGCDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000093808715 400255671 /nfs/dbraw/zinc/25/56/71/400255671.db2.gz FVUCQXYUUYUYKE-HNNXBMFYSA-N 1 1 324.424 3.147 20 10 DGCDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000093482180 400247352 /nfs/dbraw/zinc/24/73/52/400247352.db2.gz HOWHNLDGQNAIKW-LPHOPBHVSA-N 1 1 302.462 3.412 20 10 DGCDMO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000269344866 432163257 /nfs/dbraw/zinc/16/32/57/432163257.db2.gz HVJZTFNUCVKOJF-UHFFFAOYSA-N 1 1 314.458 3.402 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186439022 274114557 /nfs/dbraw/zinc/11/45/57/274114557.db2.gz SXEIFDIATZDVOM-LJQANCHMSA-N 1 1 311.381 3.032 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(F)cc1O ZINC000370372911 278388685 /nfs/dbraw/zinc/38/86/85/278388685.db2.gz GDHOZIJDSWMHQU-PXAZEXFGSA-N 1 1 300.377 3.369 20 10 DGCDMO C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccccc1O ZINC000109770135 431177693 /nfs/dbraw/zinc/17/76/93/431177693.db2.gz XHNCOTVHSFCCDD-RDJZCZTQSA-N 1 1 316.445 3.005 20 10 DGCDMO COCCCCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000112641134 431291670 /nfs/dbraw/zinc/29/16/70/431291670.db2.gz NLIXLXYNYRCAOB-QGZVFWFLSA-N 1 1 307.434 3.190 20 10 DGCDMO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037141010 431844264 /nfs/dbraw/zinc/84/42/64/431844264.db2.gz XMMIOWCEVJPYMD-UHFFFAOYSA-N 1 1 315.244 3.415 20 10 DGCDMO CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000037644073 431848385 /nfs/dbraw/zinc/84/83/85/431848385.db2.gz XJYGRUUNUPDMPC-SNVBAGLBSA-N 1 1 303.233 3.130 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3cccc(O)c3)CC2)cc1 ZINC000092380804 431908527 /nfs/dbraw/zinc/90/85/27/431908527.db2.gz MRDBMJKGRUFKBK-UHFFFAOYSA-N 1 1 312.413 3.113 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@H](C)c2nccs2)c1 ZINC000183253838 432273509 /nfs/dbraw/zinc/27/35/09/432273509.db2.gz IQWPHGNFWVDPHS-LBPRGKRZSA-N 1 1 306.431 3.483 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000191479854 432268339 /nfs/dbraw/zinc/26/83/39/432268339.db2.gz NIWMHTPQCKCTHB-AMFBXLIHSA-N 1 1 311.784 3.232 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000271047559 432320322 /nfs/dbraw/zinc/32/03/22/432320322.db2.gz SDTGHXKDKWSRRR-UHFFFAOYSA-N 1 1 306.450 3.096 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000271047559 432320327 /nfs/dbraw/zinc/32/03/27/432320327.db2.gz SDTGHXKDKWSRRR-UHFFFAOYSA-N 1 1 306.450 3.096 20 10 DGCDMO CCOc1ccc(O)c(CN(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000271047559 432320332 /nfs/dbraw/zinc/32/03/32/432320332.db2.gz SDTGHXKDKWSRRR-UHFFFAOYSA-N 1 1 306.450 3.096 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000152430800 432332233 /nfs/dbraw/zinc/33/22/33/432332233.db2.gz YDUAXUQRACYFKK-DNVCBOLYSA-N 1 1 301.478 3.278 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2c(C)nc3sccn32)c1O ZINC000271151476 432338124 /nfs/dbraw/zinc/33/81/24/432338124.db2.gz KTZSQFNBMIPVHS-UHFFFAOYSA-N 1 1 317.414 3.050 20 10 DGCDMO c1ccc(C[N@H+]2CC[C@H](CNCc3ccc4c(c3)CCO4)C2)cc1 ZINC000192932243 432430510 /nfs/dbraw/zinc/43/05/10/432430510.db2.gz FCPIPKLZFHMWEW-LJQANCHMSA-N 1 1 322.452 3.233 20 10 DGCDMO c1ccc(C[N@@H+]2CC[C@H](CNCc3ccc4c(c3)CCO4)C2)cc1 ZINC000192932243 432430515 /nfs/dbraw/zinc/43/05/15/432430515.db2.gz FCPIPKLZFHMWEW-LJQANCHMSA-N 1 1 322.452 3.233 20 10 DGCDMO c1ccc(CN2CC[C@H](C[NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000192932243 432430517 /nfs/dbraw/zinc/43/05/17/432430517.db2.gz FCPIPKLZFHMWEW-LJQANCHMSA-N 1 1 322.452 3.233 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000271990424 432432898 /nfs/dbraw/zinc/43/28/98/432432898.db2.gz RQPACMKTEZLDSJ-OAHLLOKOSA-N 1 1 312.417 3.076 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1O ZINC000271990424 432432902 /nfs/dbraw/zinc/43/29/02/432432902.db2.gz RQPACMKTEZLDSJ-OAHLLOKOSA-N 1 1 312.417 3.076 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1O ZINC000271990424 432432904 /nfs/dbraw/zinc/43/29/04/432432904.db2.gz RQPACMKTEZLDSJ-OAHLLOKOSA-N 1 1 312.417 3.076 20 10 DGCDMO CC(C)[N@@H+](CCCn1ccnc1)Cc1ccc(N(C)C)cc1 ZINC000272026114 432433466 /nfs/dbraw/zinc/43/34/66/432433466.db2.gz VUUHOKOQKFVQKS-UHFFFAOYSA-N 1 1 300.450 3.250 20 10 DGCDMO COc1ccc(O)c([C@H](C)NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000192952696 432434421 /nfs/dbraw/zinc/43/44/21/432434421.db2.gz LBPHKOZSQDCEKT-WMLDXEAASA-N 1 1 306.450 3.172 20 10 DGCDMO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000271586609 432420736 /nfs/dbraw/zinc/42/07/36/432420736.db2.gz XOUQQNOJPFVACF-QWHCGFSZSA-N 1 1 301.438 3.406 20 10 DGCDMO C[C@@H]([NH2+]CCOc1ncccc1Cl)c1ccc(F)cc1O ZINC000186106996 432559297 /nfs/dbraw/zinc/55/92/97/432559297.db2.gz WIYYGTDTWZAKGA-SNVBAGLBSA-N 1 1 310.756 3.309 20 10 DGCDMO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185670724 432521814 /nfs/dbraw/zinc/52/18/14/432521814.db2.gz ICXQCLCCOJIFPD-OCCSQVGLSA-N 1 1 314.857 3.053 20 10 DGCDMO C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(F)cc1O ZINC000186165597 432564778 /nfs/dbraw/zinc/56/47/78/432564778.db2.gz RWGBWUAYAHZEGV-SGTLLEGYSA-N 1 1 301.361 3.016 20 10 DGCDMO COc1ccc(COCC[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000185860927 432539959 /nfs/dbraw/zinc/53/99/59/432539959.db2.gz OZNMTSAWPPDWJD-ZDUSSCGKSA-N 1 1 319.376 3.407 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(N3CCCC3)nc2)cc1 ZINC000155182542 432541923 /nfs/dbraw/zinc/54/19/23/432541923.db2.gz AXLJLILGQVLRCR-UHFFFAOYSA-N 1 1 324.472 3.380 20 10 DGCDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000195198064 432610838 /nfs/dbraw/zinc/61/08/38/432610838.db2.gz KSPMADURAZGFIH-SFHVURJKSA-N 1 1 323.433 3.191 20 10 DGCDMO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCN(C)C)c1O ZINC000186913389 432636131 /nfs/dbraw/zinc/63/61/31/432636131.db2.gz ZRSDTFJRLLLZSD-LLVKDONJSA-N 1 1 315.255 3.065 20 10 DGCDMO CCCOc1ccc(CN2CCC[C@H]([NH+](C)C)CC2)c(O)c1 ZINC000277625336 432865162 /nfs/dbraw/zinc/86/51/62/432865162.db2.gz XIPOIFMBVCJDFH-INIZCTEOSA-N 1 1 306.450 3.097 20 10 DGCDMO Cc1ccc(O)c([C@H](C)[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296355079 432899764 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CCOc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000290826764 433181011 /nfs/dbraw/zinc/18/10/11/433181011.db2.gz HERMFQUSRCMAAU-ROUUACIJSA-N 1 1 317.429 3.324 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000290997439 433217642 /nfs/dbraw/zinc/21/76/42/433217642.db2.gz APVCVKMNYHFJHF-DOTOQJQBSA-N 1 1 305.418 3.180 20 10 DGCDMO CCCOc1ccc(C[N@@H+](C)Cc2conc2CC)c(O)c1 ZINC000293548716 433778111 /nfs/dbraw/zinc/77/81/11/433778111.db2.gz DSPDBQWHSMOJJR-UHFFFAOYSA-N 1 1 304.390 3.363 20 10 DGCDMO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293797396 433871030 /nfs/dbraw/zinc/87/10/30/433871030.db2.gz BTYQILQSRRNAOS-CYBMUJFWSA-N 1 1 309.772 3.085 20 10 DGCDMO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293797399 433872172 /nfs/dbraw/zinc/87/21/72/433872172.db2.gz BTYQILQSRRNAOS-ZDUSSCGKSA-N 1 1 309.772 3.085 20 10 DGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@H](O)C2)cc1 ZINC000294556249 434119437 /nfs/dbraw/zinc/11/94/37/434119437.db2.gz 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Cc1ccc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)c(O)c1 ZINC001659345862 1196373604 /nfs/dbraw/zinc/37/36/04/1196373604.db2.gz NQAWMNDOCRZJPB-UHFFFAOYSA-N 1 1 316.367 3.159 20 10 DGCDMO COCC[N@H+](CCF)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000853549070 620708925 /nfs/dbraw/zinc/70/89/25/620708925.db2.gz ZXMOMSQSXOTDND-UHFFFAOYSA-N 1 1 313.413 3.116 20 10 DGCDMO COCC[N@@H+](CCF)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000853549070 620708926 /nfs/dbraw/zinc/70/89/26/620708926.db2.gz ZXMOMSQSXOTDND-UHFFFAOYSA-N 1 1 313.413 3.116 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000853572616 620710835 /nfs/dbraw/zinc/71/08/35/620710835.db2.gz RFGGRLWGQNHPSA-BXUZGUMPSA-N 1 1 303.324 3.161 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000853572616 620710837 /nfs/dbraw/zinc/71/08/37/620710837.db2.gz RFGGRLWGQNHPSA-BXUZGUMPSA-N 1 1 303.324 3.161 20 10 DGCDMO CCc1cc(N[C@H]2CCN(c3ccc(OC)cc3)C2)nc(C)[nH+]1 ZINC000853758354 620734313 /nfs/dbraw/zinc/73/43/13/620734313.db2.gz CQQDNHRBRMIKGU-HNNXBMFYSA-N 1 1 312.417 3.047 20 10 DGCDMO COc1ccc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c(O)c1OC ZINC000891786672 617898643 /nfs/dbraw/zinc/89/86/43/617898643.db2.gz QFSITMXQGSQGMN-KKNUOHPOSA-N 1 1 317.429 3.420 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891853212 617911998 /nfs/dbraw/zinc/91/19/98/617911998.db2.gz FINDXPBEQZXSAE-CVEARBPZSA-N 1 1 323.408 3.238 20 10 DGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2O)C1(C)C ZINC000892102049 617962011 /nfs/dbraw/zinc/96/20/11/617962011.db2.gz REYOSEVFFMAJKU-GJZGRUSLSA-N 1 1 323.433 3.045 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](CCC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000919806705 620766965 /nfs/dbraw/zinc/76/69/65/620766965.db2.gz CTRKIQHWOVADSO-UHFFFAOYSA-N 1 1 318.461 3.449 20 10 DGCDMO Cc1ccc([C@@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)c(O)c1 ZINC000840870194 618042654 /nfs/dbraw/zinc/04/26/54/618042654.db2.gz VJWFZZURGQUMLU-SNVBAGLBSA-N 1 1 311.307 3.360 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000840881660 618107225 /nfs/dbraw/zinc/10/72/25/618107225.db2.gz PHIJIAKMYLBVJQ-GUYCJALGSA-N 1 1 321.367 3.487 20 10 DGCDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(C)cc(C)c2O)cc1 ZINC000111996266 620778874 /nfs/dbraw/zinc/77/88/74/620778874.db2.gz GSPAQCJQCHSQFJ-UHFFFAOYSA-N 1 1 312.413 3.001 20 10 DGCDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000920258069 620793181 /nfs/dbraw/zinc/79/31/81/620793181.db2.gz GLCBVKLWUHFVEL-SZMVWBNQSA-N 1 1 316.445 3.059 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000894779607 618455068 /nfs/dbraw/zinc/45/50/68/618455068.db2.gz JOMOWKGADABWTD-STQMWFEESA-N 1 1 311.372 3.309 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000894779607 618455074 /nfs/dbraw/zinc/45/50/74/618455074.db2.gz JOMOWKGADABWTD-STQMWFEESA-N 1 1 311.372 3.309 20 10 DGCDMO C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(F)c2[O-])CC[N@@H+]1C ZINC000775717205 618516914 /nfs/dbraw/zinc/51/69/14/618516914.db2.gz NOHBLMFXBGAEGZ-ZWNOBZJWSA-N 1 1 300.805 3.099 20 10 DGCDMO C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(F)c2[O-])CC[N@H+]1C ZINC000775717205 618516916 /nfs/dbraw/zinc/51/69/16/618516916.db2.gz NOHBLMFXBGAEGZ-ZWNOBZJWSA-N 1 1 300.805 3.099 20 10 DGCDMO C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(F)c2[O-])CC[NH+]1C ZINC000775717205 618516917 /nfs/dbraw/zinc/51/69/17/618516917.db2.gz NOHBLMFXBGAEGZ-ZWNOBZJWSA-N 1 1 300.805 3.099 20 10 DGCDMO C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])CC[NH+]1C ZINC000775717205 618516919 /nfs/dbraw/zinc/51/69/19/618516919.db2.gz NOHBLMFXBGAEGZ-ZWNOBZJWSA-N 1 1 300.805 3.099 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)c(O)c1OC ZINC000893493577 618572704 /nfs/dbraw/zinc/57/27/04/618572704.db2.gz CZNIKXSKKSAOGS-UGSOOPFHSA-N 1 1 305.418 3.422 20 10 DGCDMO Cc1coc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000893910570 618675007 /nfs/dbraw/zinc/67/50/07/618675007.db2.gz LWUMPXDOADPPNI-UHFFFAOYSA-N 1 1 300.402 3.057 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H](N3CCCC3)C2)c1O ZINC000893986117 618690126 /nfs/dbraw/zinc/69/01/26/618690126.db2.gz JWNBDAAVSMMBEZ-QGZVFWFLSA-N 1 1 318.461 3.160 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@@H](N3CCCC3)C2)c1O ZINC000893986117 618690130 /nfs/dbraw/zinc/69/01/30/618690130.db2.gz JWNBDAAVSMMBEZ-QGZVFWFLSA-N 1 1 318.461 3.160 20 10 DGCDMO COc1cc(C)cc(CNCCC[NH+](C(C)C)C(C)C)c1O ZINC000894326236 618764904 /nfs/dbraw/zinc/76/49/04/618764904.db2.gz NJHBGVKPZHPELE-UHFFFAOYSA-N 1 1 308.466 3.308 20 10 DGCDMO C[N@H+](Cc1ccns1)Cc1cc(Br)ccc1O ZINC000895453903 618785099 /nfs/dbraw/zinc/78/50/99/618785099.db2.gz SJFIVTHWZLUMMP-UHFFFAOYSA-N 1 1 313.220 3.243 20 10 DGCDMO C[N@@H+](Cc1ccns1)Cc1cc(Br)ccc1O ZINC000895453903 618785102 /nfs/dbraw/zinc/78/51/02/618785102.db2.gz SJFIVTHWZLUMMP-UHFFFAOYSA-N 1 1 313.220 3.243 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCN1c1cc[nH+]cc1 ZINC000895558289 618799156 /nfs/dbraw/zinc/79/91/56/618799156.db2.gz VDDJBKHPDIVMLA-ZDUSSCGKSA-N 1 1 317.820 3.151 20 10 DGCDMO CC(C)([NH2+]Cc1cc(F)cc(F)c1O)[C@@H](O)c1ccccc1 ZINC000895662990 618814386 /nfs/dbraw/zinc/81/43/86/618814386.db2.gz UVFFOEJVONYRJG-INIZCTEOSA-N 1 1 307.340 3.272 20 10 DGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895785632 618830483 /nfs/dbraw/zinc/83/04/83/618830483.db2.gz YIFKMGZAVMMGKO-IMFGXOCKSA-N 1 1 309.409 3.262 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](c3ccn(C)n3)C2)cc1 ZINC000896488565 618917966 /nfs/dbraw/zinc/91/79/66/618917966.db2.gz IDISDKJYVNDMJM-JXTAAOLFSA-N 1 1 324.472 3.379 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)c1O ZINC000896532310 618925516 /nfs/dbraw/zinc/92/55/16/618925516.db2.gz UJVOWDXVWDQHLP-CYBMUJFWSA-N 1 1 318.442 3.312 20 10 DGCDMO CCc1noc(C2CCC([NH2+]Cc3c(O)cccc3F)CC2)n1 ZINC000896636505 618939338 /nfs/dbraw/zinc/93/93/38/618939338.db2.gz DKHJEYUFPILIRS-UHFFFAOYSA-N 1 1 319.380 3.293 20 10 DGCDMO COc1cccc(C[N@H+](Cc2ccccn2)CC(C)C)c1O ZINC000896666049 618943604 /nfs/dbraw/zinc/94/36/04/618943604.db2.gz WIAUJJZGOMTVQY-UHFFFAOYSA-N 1 1 300.402 3.454 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c(O)c1 ZINC000897268150 619039625 /nfs/dbraw/zinc/03/96/25/619039625.db2.gz UUDUQVLDBUBWGO-MRXNPFEDSA-N 1 1 319.445 3.430 20 10 DGCDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000897579180 619162303 /nfs/dbraw/zinc/16/23/03/619162303.db2.gz QHDYMVPVZBFDEV-LBPRGKRZSA-N 1 1 321.808 3.192 20 10 DGCDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000897579179 619162324 /nfs/dbraw/zinc/16/23/24/619162324.db2.gz QHDYMVPVZBFDEV-GFCCVEGCSA-N 1 1 321.808 3.192 20 10 DGCDMO Oc1ccccc1C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615775 619167430 /nfs/dbraw/zinc/16/74/30/619167430.db2.gz FAENBQMGMPTQHS-LBPRGKRZSA-N 1 1 323.318 3.191 20 10 DGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2sccc2Cl)cc1 ZINC000841045193 619247366 /nfs/dbraw/zinc/24/73/66/619247366.db2.gz JGTMHQAIIJMCQN-CQSZACIVSA-N 1 1 309.866 3.257 20 10 DGCDMO Cc1ccc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000898452498 619276760 /nfs/dbraw/zinc/27/67/60/619276760.db2.gz YZGCQBOGJSXJBI-SFHVURJKSA-N 1 1 301.434 3.047 20 10 DGCDMO CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000901053842 619469792 /nfs/dbraw/zinc/46/97/92/619469792.db2.gz SOZJXUBMOCUUMN-DLBZAZTESA-N 1 1 316.445 3.148 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)c1c(O)cccc1F ZINC000903176585 619730276 /nfs/dbraw/zinc/73/02/76/619730276.db2.gz QOKTVZBHBKXICI-YGOYTEALSA-N 1 1 307.287 3.292 20 10 DGCDMO C[C@H]([NH2+][C@H](CO)CCc1ccccc1)c1c(O)cccc1F ZINC000903288124 619754494 /nfs/dbraw/zinc/75/44/94/619754494.db2.gz KCSZSICFMCAQDJ-ZFWWWQNUSA-N 1 1 303.377 3.176 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc(C(F)(F)F)c1O ZINC000903287387 619754511 /nfs/dbraw/zinc/75/45/11/619754511.db2.gz ROFJFXIWJJZOKV-USGJNCQESA-N 1 1 313.319 3.237 20 10 DGCDMO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccoc1 ZINC000903447809 619778209 /nfs/dbraw/zinc/77/82/09/619778209.db2.gz CUSWTTZTYJQYQK-RDTXWAMCSA-N 1 1 301.434 3.299 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841086263 620225707 /nfs/dbraw/zinc/22/57/07/620225707.db2.gz GWMRLOOMHJDTEW-BBRMVZONSA-N 1 1 308.853 3.318 20 10 DGCDMO Cc1cc(Cl)cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841086263 620225711 /nfs/dbraw/zinc/22/57/11/620225711.db2.gz GWMRLOOMHJDTEW-BBRMVZONSA-N 1 1 308.853 3.318 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000151285592 620436665 /nfs/dbraw/zinc/43/66/65/620436665.db2.gz AKUCWBVYLFEDFB-SFHVURJKSA-N 1 1 305.418 3.008 20 10 DGCDMO COc1ccc(O)c(CNC2CC[NH+](CCC(C)C)CC2)c1 ZINC000925417014 620546199 /nfs/dbraw/zinc/54/61/99/620546199.db2.gz YYDQAYWXBWVXQX-UHFFFAOYSA-N 1 1 306.450 3.001 20 10 DGCDMO CCC[N@@H+](CC(=O)NCC1CCCCC1)Cc1ccccc1O ZINC000110737198 620635046 /nfs/dbraw/zinc/63/50/46/620635046.db2.gz PQQNHLOLUVSUCA-UHFFFAOYSA-N 1 1 318.461 3.301 20 10 DGCDMO CC(C)c1nnc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)[nH]1 ZINC000921945862 620971750 /nfs/dbraw/zinc/97/17/50/620971750.db2.gz KORJKTKPXHGIQQ-LBPRGKRZSA-N 1 1 300.406 3.104 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000857060661 621053040 /nfs/dbraw/zinc/05/30/40/621053040.db2.gz CZMVEYTVGOSXPS-UKRRQHHQSA-N 1 1 321.461 3.149 20 10 DGCDMO CC[N@@H+](CCC[C@@H](C)O)Cc1cc(Br)ccc1O ZINC000789328589 625461175 /nfs/dbraw/zinc/46/11/75/625461175.db2.gz YAMRSLGYBWGAOD-LLVKDONJSA-N 1 1 316.239 3.138 20 10 DGCDMO C[C@@]1(C[NH2+]Cc2cccc(Br)c2O)CCCCO1 ZINC000922816308 621104486 /nfs/dbraw/zinc/10/44/86/621104486.db2.gz IKEULIXCQTYASH-AWEZNQCLSA-N 1 1 314.223 3.204 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1O ZINC000858015328 621145217 /nfs/dbraw/zinc/14/52/17/621145217.db2.gz YYAADZJHHCXPGN-QGZVFWFLSA-N 1 1 312.413 3.311 20 10 DGCDMO CN1CCCc2cc(CN[C@H]3CC[N@H+](C)C(C)(C)C3)ccc21 ZINC000858116008 621154280 /nfs/dbraw/zinc/15/42/80/621154280.db2.gz HYLPOEDJLYBVCO-KRWDZBQOSA-N 1 1 301.478 3.031 20 10 DGCDMO CN1CCCc2cc(CN[C@H]3CC[N@@H+](C)C(C)(C)C3)ccc21 ZINC000858116008 621154283 /nfs/dbraw/zinc/15/42/83/621154283.db2.gz HYLPOEDJLYBVCO-KRWDZBQOSA-N 1 1 301.478 3.031 20 10 DGCDMO CN1CCCc2cc(C[NH2+][C@H]3CCN(C)C(C)(C)C3)ccc21 ZINC000858116008 621154284 /nfs/dbraw/zinc/15/42/84/621154284.db2.gz HYLPOEDJLYBVCO-KRWDZBQOSA-N 1 1 301.478 3.031 20 10 DGCDMO CN(C)c1cc(F)c(C[NH2+][C@H]2COCc3ccccc32)cc1F ZINC000858179584 621161944 /nfs/dbraw/zinc/16/19/44/621161944.db2.gz OYPXPPMYXLHTJF-KRWDZBQOSA-N 1 1 318.367 3.392 20 10 DGCDMO CCN(Cc1ccccc1)c1ccc(CNCc2c[nH]nn2)cc1 ZINC000858198661 621164329 /nfs/dbraw/zinc/16/43/29/621164329.db2.gz PZWSHHHPEWSEJZ-UHFFFAOYSA-N 1 1 321.428 3.121 20 10 DGCDMO CCCN(CCC)c1ccc(C[NH2+]Cc2cnn(CC)n2)cc1 ZINC000858204277 621164605 /nfs/dbraw/zinc/16/46/05/621164605.db2.gz AYPSUXNMPJCGFD-UHFFFAOYSA-N 1 1 315.465 3.214 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000858212608 621165167 /nfs/dbraw/zinc/16/51/67/621165167.db2.gz XYIILLXXHWCHQR-ZDUSSCGKSA-N 1 1 321.779 3.416 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000858244131 621167601 /nfs/dbraw/zinc/16/76/01/621167601.db2.gz ACXLBXDTXNRLCL-GOSISDBHSA-N 1 1 303.494 3.354 20 10 DGCDMO CCN(CC)c1ccc(CNC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000858244131 621167604 /nfs/dbraw/zinc/16/76/04/621167604.db2.gz ACXLBXDTXNRLCL-GOSISDBHSA-N 1 1 303.494 3.354 20 10 DGCDMO CCN(CC)c1ccc(CNC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000858244131 621167606 /nfs/dbraw/zinc/16/76/06/621167606.db2.gz ACXLBXDTXNRLCL-GOSISDBHSA-N 1 1 303.494 3.354 20 10 DGCDMO Cc1cc(Cl)cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)c1O ZINC000839170856 621341975 /nfs/dbraw/zinc/34/19/75/621341975.db2.gz REYIHRYZJVNGGI-UHFFFAOYSA-N 1 1 308.813 3.059 20 10 DGCDMO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(OCc2ccccc2)cc1O ZINC000753547292 621447771 /nfs/dbraw/zinc/44/77/71/621447771.db2.gz NCJKTAMROODHKQ-UHFFFAOYSA-N 1 1 323.396 3.326 20 10 DGCDMO COc1cc(C)cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000754740024 621529992 /nfs/dbraw/zinc/52/99/92/621529992.db2.gz FZQMJVXLIBYFGI-MRXNPFEDSA-N 1 1 318.461 3.017 20 10 DGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C)cc(OC)c2O)C1(C)C ZINC000754740981 621530212 /nfs/dbraw/zinc/53/02/12/621530212.db2.gz KDUIFSRJUWFRKM-CVEARBPZSA-N 1 1 307.434 3.345 20 10 DGCDMO C[C@@H]1CSCC[N@H+]1Cc1c(O)cccc1Br ZINC000862244773 621566415 /nfs/dbraw/zinc/56/64/15/621566415.db2.gz FTOZWQBULGBNBO-SECBINFHSA-N 1 1 302.237 3.092 20 10 DGCDMO C[C@H]1CSCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862344257 621576490 /nfs/dbraw/zinc/57/64/90/621576490.db2.gz OAXNCOJTTYWBCH-SNVBAGLBSA-N 1 1 316.264 3.340 20 10 DGCDMO CCOC1CC([N@@H+](C)Cc2c(O)cccc2Br)C1 ZINC000862369684 621580532 /nfs/dbraw/zinc/58/05/32/621580532.db2.gz WPPIWDHEJHRXKE-UHFFFAOYSA-N 1 1 314.223 3.154 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000862529349 621596821 /nfs/dbraw/zinc/59/68/21/621596821.db2.gz SIQKQKHABQPEFD-PKOBYXMFSA-N 1 1 302.462 3.127 20 10 DGCDMO CCC(O)(CC)C[N@@H+](C)Cc1cc(Br)ccc1O ZINC000862539541 621598407 /nfs/dbraw/zinc/59/84/07/621598407.db2.gz OPDHDKKEMCQDRL-UHFFFAOYSA-N 1 1 316.239 3.138 20 10 DGCDMO CC[N@@H+](C)[C@@H](C(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC000862759087 621614222 /nfs/dbraw/zinc/61/42/22/621614222.db2.gz VGJLPWHIWOAKOV-GOSISDBHSA-N 1 1 312.413 3.010 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2ccc(F)cc2)c1 ZINC000756340543 621629094 /nfs/dbraw/zinc/62/90/94/621629094.db2.gz IXCXGZAWAGHKFE-LBPRGKRZSA-N 1 1 317.360 3.211 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cc(F)cc(F)c1O ZINC000756351123 621630045 /nfs/dbraw/zinc/63/00/45/621630045.db2.gz IXGQVMKBMJNTDE-QMTHXVAHSA-N 1 1 310.344 3.217 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(F)cc(F)c1O ZINC000756374159 621632803 /nfs/dbraw/zinc/63/28/03/621632803.db2.gz YJEHVHQMAXFHCC-JTQLQIEISA-N 1 1 321.323 3.292 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc(F)cc(F)c1O ZINC000756402720 621635585 /nfs/dbraw/zinc/63/55/85/621635585.db2.gz OFJXHUCIQTWUCA-OTYXRUKQSA-N 1 1 307.344 3.132 20 10 DGCDMO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756459498 621640115 /nfs/dbraw/zinc/64/01/15/621640115.db2.gz NWJIRRQZJCSGHS-MEBBXXQBSA-N 1 1 323.339 3.063 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2c(C)noc2C)c1 ZINC000756576270 621650791 /nfs/dbraw/zinc/65/07/91/621650791.db2.gz ZBFCJGRSNYNDEM-ZJUUUORDSA-N 1 1 318.373 3.195 20 10 DGCDMO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756585331 621651131 /nfs/dbraw/zinc/65/11/31/621651131.db2.gz JNPLAAWIJWQUGM-ZUZCIYMTSA-N 1 1 301.365 3.358 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc3ccc(C)cc3[nH]2)c1 ZINC000756630999 621654145 /nfs/dbraw/zinc/65/41/45/621654145.db2.gz WXEAXIDVFMCZQC-LBPRGKRZSA-N 1 1 311.385 3.436 20 10 DGCDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1O ZINC000756672546 621657841 /nfs/dbraw/zinc/65/78/41/621657841.db2.gz PXQFYRFIYBDTQC-VIFPVBQESA-N 1 1 308.284 3.429 20 10 DGCDMO CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000756705193 621659204 /nfs/dbraw/zinc/65/92/04/621659204.db2.gz DOVAXORVFOHANB-GFCCVEGCSA-N 1 1 324.396 3.191 20 10 DGCDMO COc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000863306674 621661868 /nfs/dbraw/zinc/66/18/68/621661868.db2.gz OFWDUSYZVFLKFX-DLBZAZTESA-N 1 1 319.445 3.452 20 10 DGCDMO C[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccc(F)cc1O ZINC000756763264 621662899 /nfs/dbraw/zinc/66/28/99/621662899.db2.gz WIPUAERFZWJMEE-JSGCOSHPSA-N 1 1 317.360 3.412 20 10 DGCDMO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000756913781 621672868 /nfs/dbraw/zinc/67/28/68/621672868.db2.gz RDXMMBUSZSUALE-UHFFFAOYSA-N 1 1 324.380 3.347 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000757630481 621729821 /nfs/dbraw/zinc/72/98/21/621729821.db2.gz KRKAZCCBFXREQZ-NHYWBVRUSA-N 1 1 321.417 3.176 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC(C)(C)CC[C@@H]2CO)cc1F ZINC000864053897 621732760 /nfs/dbraw/zinc/73/27/60/621732760.db2.gz PTHMSXBLYRVNKV-CYBMUJFWSA-N 1 1 312.404 3.014 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c(O)c1 ZINC000757864681 621743948 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C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1cc(F)cc(F)c1O ZINC000760895491 621972452 /nfs/dbraw/zinc/97/24/52/621972452.db2.gz AJGPUTZIFZPEES-SNVBAGLBSA-N 1 1 317.339 3.408 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[C@H]2CCCCO2)c1 ZINC000760905149 621973460 /nfs/dbraw/zinc/97/34/60/621973460.db2.gz JLDBPUYBUZAUDC-UKRRQHHQSA-N 1 1 321.417 3.179 20 10 DGCDMO CCC[C@H](CCO)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000865663660 621973896 /nfs/dbraw/zinc/97/38/96/621973896.db2.gz VODSEQMMWZXUFW-GFCCVEGCSA-N 1 1 316.239 3.104 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1O ZINC000761195875 621993174 /nfs/dbraw/zinc/99/31/74/621993174.db2.gz QIKCJRNHEDFSJU-AOOOYVTPSA-N 1 1 301.839 3.380 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(OC)c2O)cn1 ZINC000761214110 621994883 /nfs/dbraw/zinc/99/48/83/621994883.db2.gz FBKLIYAPGRZWIW-UHFFFAOYSA-N 1 1 322.792 3.090 20 10 DGCDMO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1cc(Cl)c(Cl)cc1O ZINC000866442679 622119263 /nfs/dbraw/zinc/11/92/63/622119263.db2.gz 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/nfs/dbraw/zinc/44/51/74/622445174.db2.gz NLSZCPFLAVMIJW-QGZVFWFLSA-N 1 1 300.402 3.467 20 10 DGCDMO Cc1ccc(C[N@@H+](Cc2cc3c(cc2O)OCO3)C2CC2)o1 ZINC000768257695 622447817 /nfs/dbraw/zinc/44/78/17/622447817.db2.gz OJGRLBBKGUCXDA-UHFFFAOYSA-N 1 1 301.342 3.187 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC(F)(F)F)c1 ZINC000768270425 622447936 /nfs/dbraw/zinc/44/79/36/622447936.db2.gz AIGQPTHREQAEIN-RKDXNWHRSA-N 1 1 305.296 3.170 20 10 DGCDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1c(O)cccc1OC ZINC000768334236 622450497 /nfs/dbraw/zinc/45/04/97/622450497.db2.gz NUHYBGSWOHRVDS-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]2CCCC[C@H]12 ZINC000768439149 622455926 /nfs/dbraw/zinc/45/59/26/622455926.db2.gz ILEWYCVLSXVEGR-CAGXHZNZSA-N 1 1 317.429 3.219 20 10 DGCDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444552 622456737 /nfs/dbraw/zinc/45/67/37/622456737.db2.gz CNFFTPZZKHGOHG-YLQAJVPDSA-N 1 1 305.418 3.219 20 10 DGCDMO 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/nfs/dbraw/zinc/52/47/79/622524779.db2.gz CIZAFNKRUDWZAC-UHFFFAOYSA-N 1 1 322.424 3.199 20 10 DGCDMO COC(=O)C1([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)CCCCC1 ZINC000769400992 622524780 /nfs/dbraw/zinc/52/47/80/622524780.db2.gz CIZAFNKRUDWZAC-UHFFFAOYSA-N 1 1 322.424 3.199 20 10 DGCDMO C[C@H]1CCCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769414517 622526137 /nfs/dbraw/zinc/52/61/37/622526137.db2.gz CPNHMGJOVNYGOV-HNNXBMFYSA-N 1 1 306.425 3.427 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)cc1F ZINC000769450171 622528827 /nfs/dbraw/zinc/52/88/27/622528827.db2.gz BNBMONLTGRYSIF-GDBMZVCRSA-N 1 1 308.441 3.407 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769452471 622529230 /nfs/dbraw/zinc/52/92/30/622529230.db2.gz SMPJEMMACPHEDV-HUUCEWRRSA-N 1 1 306.425 3.140 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CCN(CC)[C@H](C)C2)c1 ZINC000769469590 622530544 /nfs/dbraw/zinc/53/05/44/622530544.db2.gz AOIRVRAZZOMTDU-ZBFHGGJFSA-N 1 1 306.450 3.096 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(CC)[C@H](C)C2)c1 ZINC000769469590 622530546 /nfs/dbraw/zinc/53/05/46/622530546.db2.gz AOIRVRAZZOMTDU-ZBFHGGJFSA-N 1 1 306.450 3.096 20 10 DGCDMO CCC[N@@H+](Cc1c(O)cccc1OC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000769470251 622531009 /nfs/dbraw/zinc/53/10/09/622531009.db2.gz JPDLVTXSNZHWRT-VHSSKADRSA-N 1 1 319.445 3.426 20 10 DGCDMO COc1cc(Br)cc(C[N@H+]2C[C@@H](C)C[C@H]2C)c1O ZINC000769471427 622531100 /nfs/dbraw/zinc/53/11/00/622531100.db2.gz UHPUGHQVPKIPNE-VHSXEESVSA-N 1 1 314.223 3.394 20 10 DGCDMO CCOc1ccc(C[N@H+](C)[C@H]2C[C@@H](OCC)C2(C)C)c(O)c1 ZINC000769474877 622531442 /nfs/dbraw/zinc/53/14/42/622531442.db2.gz SWQZKCDJXDMQJC-DLBZAZTESA-N 1 1 307.434 3.426 20 10 DGCDMO CN(C)c1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)cc1F ZINC000769482945 622532086 /nfs/dbraw/zinc/53/20/86/622532086.db2.gz LSLZIQLOPWTGAU-MRXNPFEDSA-N 1 1 307.457 3.198 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCOC3(CCC3)C2)cc1F ZINC000769482114 622532538 /nfs/dbraw/zinc/53/25/38/622532538.db2.gz GYCSKOBZWCREFX-UHFFFAOYSA-N 1 1 306.425 3.427 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1F ZINC000769482114 622532539 /nfs/dbraw/zinc/53/25/39/622532539.db2.gz GYCSKOBZWCREFX-UHFFFAOYSA-N 1 1 306.425 3.427 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000769514292 622536508 /nfs/dbraw/zinc/53/65/08/622536508.db2.gz IUHPXLHSQTWUQL-ZWKOTPCHSA-N 1 1 302.462 3.391 20 10 DGCDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769519062 622537472 /nfs/dbraw/zinc/53/74/72/622537472.db2.gz IGFYAESYLFGDJX-SFHVURJKSA-N 1 1 306.425 3.284 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CCC(C)(C)C3)cc2)CC1 ZINC000771866838 622805856 /nfs/dbraw/zinc/80/58/56/622805856.db2.gz BVLHVLVGBKYIMO-KRWDZBQOSA-N 1 1 301.478 3.107 20 10 DGCDMO CCn1nc(C)c(C[N@@H+](C)Cc2cc3c(cc2O)CCC3)c1C ZINC000872632470 622945274 /nfs/dbraw/zinc/94/52/74/622945274.db2.gz SQVQBTPLSQLTQX-UHFFFAOYSA-N 1 1 313.445 3.346 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCCOC[C@@H]3C)c2c1 ZINC000772819464 622945827 /nfs/dbraw/zinc/94/58/27/622945827.db2.gz CPBMVCICVVAMLZ-ZDUSSCGKSA-N 1 1 301.386 3.165 20 10 DGCDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000773327871 623012900 /nfs/dbraw/zinc/01/29/00/623012900.db2.gz RNBQAZZLDABEKY-IBGZPJMESA-N 1 1 319.445 3.420 20 10 DGCDMO CCCOc1ccc(C[NH2+]Cc2nnc(C(C)C)[nH]2)cc1C ZINC000873129498 623042579 /nfs/dbraw/zinc/04/25/79/623042579.db2.gz PAFNDWKHEVWPFW-UHFFFAOYSA-N 1 1 302.422 3.315 20 10 DGCDMO CCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1C ZINC000873135533 623045912 /nfs/dbraw/zinc/04/59/12/623045912.db2.gz YKJBRCQSFHVJQH-HIFRSBDPSA-N 1 1 300.406 3.171 20 10 DGCDMO Cc1ccc(O)c(C[NH2+]Cc2noc3c2CC(C)(C)CC3)c1 ZINC000873175378 623062124 /nfs/dbraw/zinc/06/21/24/623062124.db2.gz UKWHGFKNJGQHIG-UHFFFAOYSA-N 1 1 300.402 3.493 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CC[C@H](N3CCCCC3)C2)cc1 ZINC000773757559 623068203 /nfs/dbraw/zinc/06/82/03/623068203.db2.gz PWNNIACGFJQMGG-IBGZPJMESA-N 1 1 301.478 3.203 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](N3CCCCC3)C2)cc1 ZINC000773757559 623068209 /nfs/dbraw/zinc/06/82/09/623068209.db2.gz PWNNIACGFJQMGG-IBGZPJMESA-N 1 1 301.478 3.203 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000773756822 623068904 /nfs/dbraw/zinc/06/89/04/623068904.db2.gz VXLKSOHMSCEOMD-MRXNPFEDSA-N 1 1 318.461 3.306 20 10 DGCDMO CCN(C)c1ccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000773754645 623069199 /nfs/dbraw/zinc/06/91/99/623069199.db2.gz RGIPRRRYHYQFJJ-SFHVURJKSA-N 1 1 303.494 3.449 20 10 DGCDMO CCN(C)c1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000773754645 623069206 /nfs/dbraw/zinc/06/92/06/623069206.db2.gz RGIPRRRYHYQFJJ-SFHVURJKSA-N 1 1 303.494 3.449 20 10 DGCDMO CCOC(=O)C[N@H+](Cc1ccc(N(C)CC)cc1)C(C)(C)C ZINC000773767713 623070429 /nfs/dbraw/zinc/07/04/29/623070429.db2.gz ZNBBCFJRMLQINU-UHFFFAOYSA-N 1 1 306.450 3.306 20 10 DGCDMO CCOC(=O)C[N@@H+](Cc1ccc(N(C)CC)cc1)C(C)(C)C ZINC000773767713 623070433 /nfs/dbraw/zinc/07/04/33/623070433.db2.gz ZNBBCFJRMLQINU-UHFFFAOYSA-N 1 1 306.450 3.306 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cc(Cl)c(Cl)cc1O ZINC000774137142 623111150 /nfs/dbraw/zinc/11/11/50/623111150.db2.gz VUIONIRYMVFXOT-ZJUUUORDSA-N 1 1 303.233 3.444 20 10 DGCDMO CC[S@](=O)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774181038 623116657 /nfs/dbraw/zinc/11/66/57/623116657.db2.gz DPCBIJGKXHQPQR-CVJBHZAOSA-N 1 1 310.246 3.118 20 10 DGCDMO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1cc(Cl)c(Cl)cc1O ZINC000774381352 623138525 /nfs/dbraw/zinc/13/85/25/623138525.db2.gz MGMJIXDGDKSOQI-RQJHMYQMSA-N 1 1 314.159 3.366 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774821646 623196293 /nfs/dbraw/zinc/19/62/93/623196293.db2.gz DWOQQOOFRWSGLO-UHFFFAOYSA-N 1 1 320.320 3.080 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCC[C@H]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774877434 623204017 /nfs/dbraw/zinc/20/40/17/623204017.db2.gz XLKWIAJOKNPSIX-ZDUSSCGKSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCC[C@H]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774877434 623204020 /nfs/dbraw/zinc/20/40/20/623204020.db2.gz XLKWIAJOKNPSIX-ZDUSSCGKSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC[C@@H](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000774887191 623204834 /nfs/dbraw/zinc/20/48/34/623204834.db2.gz PJFYKMJHDUWALH-LBPRGKRZSA-N 1 1 308.378 3.177 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@@H](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000774887191 623204838 /nfs/dbraw/zinc/20/48/38/623204838.db2.gz PJFYKMJHDUWALH-LBPRGKRZSA-N 1 1 308.378 3.177 20 10 DGCDMO CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000774904084 623206800 /nfs/dbraw/zinc/20/68/00/623206800.db2.gz BUNPRTZHYYVTBD-GFCCVEGCSA-N 1 1 308.378 3.321 20 10 DGCDMO CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000774904084 623206805 /nfs/dbraw/zinc/20/68/05/623206805.db2.gz BUNPRTZHYYVTBD-GFCCVEGCSA-N 1 1 308.378 3.321 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775016096 623216786 /nfs/dbraw/zinc/21/67/86/623216786.db2.gz NZTATAILVIYSHS-GMXVVIOVSA-N 1 1 308.378 3.223 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000775054246 623221983 /nfs/dbraw/zinc/22/19/83/623221983.db2.gz MFYKUKOWERIZNS-PXAZEXFGSA-N 1 1 320.389 3.321 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000775054246 623221986 /nfs/dbraw/zinc/22/19/86/623221986.db2.gz MFYKUKOWERIZNS-PXAZEXFGSA-N 1 1 320.389 3.321 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000775056790 623222668 /nfs/dbraw/zinc/22/26/68/623222668.db2.gz MKLFGMXUAFOVNO-LBPRGKRZSA-N 1 1 320.389 3.321 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@H](C)C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000775056790 623222670 /nfs/dbraw/zinc/22/26/70/623222670.db2.gz MKLFGMXUAFOVNO-LBPRGKRZSA-N 1 1 320.389 3.321 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775060016 623223508 /nfs/dbraw/zinc/22/35/08/623223508.db2.gz DXOTVFXPPMSQLS-NSHDSACASA-N 1 1 308.378 3.177 20 10 DGCDMO COc1c(O)c(C[N@H+]2C[C@@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775060016 623223513 /nfs/dbraw/zinc/22/35/13/623223513.db2.gz DXOTVFXPPMSQLS-NSHDSACASA-N 1 1 308.378 3.177 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775109413 623232083 /nfs/dbraw/zinc/23/20/83/623232083.db2.gz WJODAKQQDSOCMV-GFCCVEGCSA-N 1 1 308.378 3.367 20 10 DGCDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1cc(OC)ccc1O ZINC000775183254 623239483 /nfs/dbraw/zinc/23/94/83/623239483.db2.gz IZSPHUFGSPGRBT-GOSISDBHSA-N 1 1 321.417 3.099 20 10 DGCDMO C[C@H]([NH2+]C/C(Cl)=C/Cl)c1ccc(N2CCOCC2)cc1 ZINC000775255050 623246696 /nfs/dbraw/zinc/24/66/96/623246696.db2.gz NTGJQJOIHITBJK-GVIGZQTCSA-N 1 1 315.244 3.493 20 10 DGCDMO Cc1cccc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)c1O ZINC000775643499 623302688 /nfs/dbraw/zinc/30/26/88/623302688.db2.gz ZKGWNGDKLKLBIH-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO Cc1cccc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)c1O ZINC000775643499 623302694 /nfs/dbraw/zinc/30/26/94/623302694.db2.gz ZKGWNGDKLKLBIH-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(C)c3O)C2)o1 ZINC000775672861 623310620 /nfs/dbraw/zinc/31/06/20/623310620.db2.gz PHBSOKYFNNSUOO-LBPRGKRZSA-N 1 1 321.808 3.425 20 10 DGCDMO Cc1cc(Br)cc(C[N@H+](C[C@H](C)O)C(C)C)c1O ZINC000775680474 623312698 /nfs/dbraw/zinc/31/26/98/623312698.db2.gz FYNMMMKPLFAPDN-NSHDSACASA-N 1 1 316.239 3.054 20 10 DGCDMO C[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775702085 623316034 /nfs/dbraw/zinc/31/60/34/623316034.db2.gz POPNMWRTSWZMFB-KRWDZBQOSA-N 1 1 301.478 3.203 20 10 DGCDMO C[C@H]1CCCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775702085 623316037 /nfs/dbraw/zinc/31/60/37/623316037.db2.gz POPNMWRTSWZMFB-KRWDZBQOSA-N 1 1 301.478 3.203 20 10 DGCDMO Cc1cc(Br)cc(C[N@H+](C)Cc2cccn2C)c1O ZINC000775713388 623318414 /nfs/dbraw/zinc/31/84/14/623318414.db2.gz LTQQFONLLSMCIK-UHFFFAOYSA-N 1 1 323.234 3.434 20 10 DGCDMO C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000775725981 623319472 /nfs/dbraw/zinc/31/94/72/623319472.db2.gz NOGIVDPSFGBICA-AWEZNQCLSA-N 1 1 308.853 3.209 20 10 DGCDMO C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775725981 623319477 /nfs/dbraw/zinc/31/94/77/623319477.db2.gz NOGIVDPSFGBICA-AWEZNQCLSA-N 1 1 308.853 3.209 20 10 DGCDMO C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775725981 623319480 /nfs/dbraw/zinc/31/94/80/623319480.db2.gz NOGIVDPSFGBICA-AWEZNQCLSA-N 1 1 308.853 3.209 20 10 DGCDMO COC(=O)C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCCC1 ZINC000775726847 623320021 /nfs/dbraw/zinc/32/00/21/623320021.db2.gz YPNHSONBZVDYFX-UHFFFAOYSA-N 1 1 315.772 3.102 20 10 DGCDMO COC(=O)C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCCC1 ZINC000775726847 623320027 /nfs/dbraw/zinc/32/00/27/623320027.db2.gz YPNHSONBZVDYFX-UHFFFAOYSA-N 1 1 315.772 3.102 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](OCC3CC3)C1)CCC2 ZINC000777556237 623541791 /nfs/dbraw/zinc/54/17/91/623541791.db2.gz SMKZWMAMFCKBCT-GOSISDBHSA-N 1 1 301.430 3.272 20 10 DGCDMO COCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CC[C@@H](C)C1 ZINC000790478760 625659838 /nfs/dbraw/zinc/65/98/38/625659838.db2.gz LTIURTFCUZYHMG-HIFRSBDPSA-N 1 1 323.433 3.046 20 10 DGCDMO CC(C)[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000777968043 623593252 /nfs/dbraw/zinc/59/32/52/623593252.db2.gz KZFIXUPPVSHYDM-MRXNPFEDSA-N 1 1 307.434 3.252 20 10 DGCDMO CC(C)[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000777968043 623593256 /nfs/dbraw/zinc/59/32/56/623593256.db2.gz KZFIXUPPVSHYDM-MRXNPFEDSA-N 1 1 307.434 3.252 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cnc2c(cnn2C)c1 ZINC000876522106 623632810 /nfs/dbraw/zinc/63/28/10/623632810.db2.gz HYVRPNBUTJTDAU-UHFFFAOYSA-N 1 1 323.444 3.056 20 10 DGCDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876523976 623632916 /nfs/dbraw/zinc/63/29/16/623632916.db2.gz HQHQHFJIOQUPBR-QGZVFWFLSA-N 1 1 302.462 3.412 20 10 DGCDMO CC[C@](C)(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)OC ZINC000876531419 623635579 /nfs/dbraw/zinc/63/55/79/623635579.db2.gz FXPVABHACSTLKH-FUHWJXTLSA-N 1 1 307.434 3.188 20 10 DGCDMO CCCC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876575575 623648699 /nfs/dbraw/zinc/64/86/99/623648699.db2.gz KAYPYKSQNWORQP-UHFFFAOYSA-N 1 1 302.462 3.412 20 10 DGCDMO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1 ZINC000876591316 623654180 /nfs/dbraw/zinc/65/41/80/623654180.db2.gz GLCDBQWPCFGVOU-GOSISDBHSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c(O)c1 ZINC000876595253 623656013 /nfs/dbraw/zinc/65/60/13/623656013.db2.gz AREZKBWLDGUQDL-UHFFFAOYSA-N 1 1 324.424 3.049 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)Cc1cccn(C(F)F)c1=O ZINC000876654771 623671050 /nfs/dbraw/zinc/67/10/50/623671050.db2.gz OWZRXXCWOVHBML-UHFFFAOYSA-N 1 1 322.355 3.361 20 10 DGCDMO COc1cccc([C@@H]2C[N@@H+](Cc3c(C)cccc3O)CCO2)c1 ZINC000876688967 623682849 /nfs/dbraw/zinc/68/28/49/623682849.db2.gz QWMNWFVAEYWSJR-IBGZPJMESA-N 1 1 313.397 3.283 20 10 DGCDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000779000411 623719221 /nfs/dbraw/zinc/71/92/21/623719221.db2.gz VIIZHNZFPLBWCK-JKIFEVAISA-N 1 1 306.425 3.369 20 10 DGCDMO Oc1ccc(F)cc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000778999544 623719737 /nfs/dbraw/zinc/71/97/37/623719737.db2.gz HBPWQLKLHVKNLD-UHFFFAOYSA-N 1 1 323.371 3.275 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000778999544 623719744 /nfs/dbraw/zinc/71/97/44/623719744.db2.gz HBPWQLKLHVKNLD-UHFFFAOYSA-N 1 1 323.371 3.275 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)[C@H](C)CN1Cc1ccccc1 ZINC000779020828 623721214 /nfs/dbraw/zinc/72/12/14/623721214.db2.gz TZOSVQYUXDSHTM-IAGOWNOFSA-N 1 1 310.441 3.487 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1ccccc1O ZINC000779020828 623721217 /nfs/dbraw/zinc/72/12/17/623721217.db2.gz TZOSVQYUXDSHTM-IAGOWNOFSA-N 1 1 310.441 3.487 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1Cc1ccccc1O ZINC000779020828 623721222 /nfs/dbraw/zinc/72/12/22/623721222.db2.gz TZOSVQYUXDSHTM-IAGOWNOFSA-N 1 1 310.441 3.487 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H](C(N)=O)C1 ZINC000779204459 623742107 /nfs/dbraw/zinc/74/21/07/623742107.db2.gz SNUXNQGTOZJVAE-KSSFIOAISA-N 1 1 324.424 3.145 20 10 DGCDMO C[N@@H+](Cc1cccc(Br)n1)Cc1ccccc1O ZINC000779433732 623770344 /nfs/dbraw/zinc/77/03/44/623770344.db2.gz CSBVKZABLHIUSN-UHFFFAOYSA-N 1 1 307.191 3.182 20 10 DGCDMO CN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(N)cc1 ZINC000877077777 623786135 /nfs/dbraw/zinc/78/61/35/623786135.db2.gz UJDRISBWUQHDMA-KRWDZBQOSA-N 1 1 323.440 3.144 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCCC4(CC4)C3)cc2)CC1 ZINC000877405790 623872030 /nfs/dbraw/zinc/87/20/30/623872030.db2.gz MYBOYLHKIVJJST-UHFFFAOYSA-N 1 1 300.446 3.024 20 10 DGCDMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877478614 623902540 /nfs/dbraw/zinc/90/25/40/623902540.db2.gz ORKXQHBBTPHPHC-INIZCTEOSA-N 1 1 314.473 3.412 20 10 DGCDMO COCC[N@@H+](Cc1scnc1C)Cc1ccc(C)cc1O ZINC000877482186 623904810 /nfs/dbraw/zinc/90/48/10/623904810.db2.gz AQNAXTFIHFWTPH-UHFFFAOYSA-N 1 1 306.431 3.114 20 10 DGCDMO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877527377 623924309 /nfs/dbraw/zinc/92/43/09/623924309.db2.gz KXLNPXPWHLVRBV-INIZCTEOSA-N 1 1 316.401 3.097 20 10 DGCDMO Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c(O)c1 ZINC000877561097 623941516 /nfs/dbraw/zinc/94/15/16/623941516.db2.gz HQHNCZYQKWJLJO-IEBWSBKVSA-N 1 1 315.388 3.001 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000877590481 623954578 /nfs/dbraw/zinc/95/45/78/623954578.db2.gz ZYFFHFQQLLHNKC-HXUWFJFHSA-N 1 1 323.392 3.311 20 10 DGCDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c(O)c1 ZINC000877628814 623969757 /nfs/dbraw/zinc/96/97/57/623969757.db2.gz KOGVWFMLMUNXPR-RBUKOAKNSA-N 1 1 311.425 3.299 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)c1O ZINC000877645135 623976798 /nfs/dbraw/zinc/97/67/98/623976798.db2.gz BMJYBGZFCOGVNI-GOSISDBHSA-N 1 1 312.413 3.141 20 10 DGCDMO c1c[nH]c(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000877672771 623987296 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C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc(C(F)(F)F)c1O ZINC000788593221 625221986 /nfs/dbraw/zinc/22/19/86/625221986.db2.gz GXPKGCVVBJZZEY-GHMZBOCLSA-N 1 1 314.351 3.298 20 10 DGCDMO CC[N@@H+]1CC[C@@H](N(C)Cc2c(O)ccc(Cl)c2F)C[C@H]1C ZINC000792164633 625917710 /nfs/dbraw/zinc/91/77/10/625917710.db2.gz AVSOHJBHSCFREJ-VXGBXAGGSA-N 1 1 314.832 3.489 20 10 DGCDMO CC[N@H+]1CC[C@@H](N(C)Cc2c(O)ccc(Cl)c2F)C[C@H]1C ZINC000792164633 625917713 /nfs/dbraw/zinc/91/77/13/625917713.db2.gz AVSOHJBHSCFREJ-VXGBXAGGSA-N 1 1 314.832 3.489 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000883078599 625918174 /nfs/dbraw/zinc/91/81/74/625918174.db2.gz WVCPLSHBJCPJEI-DYEKYZERSA-N 1 1 317.426 3.140 20 10 DGCDMO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883079491 625919515 /nfs/dbraw/zinc/91/95/15/625919515.db2.gz VTHGHLNFPXBRJP-ZBEGNZNMSA-N 1 1 307.340 3.272 20 10 DGCDMO CC[C@@]1(CO)CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792179718 625920371 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KPBZYSHLOITUFK-QGZVFWFLSA-N 1 1 306.425 3.418 20 10 DGCDMO CSCCC[N@@H+](C)Cc1cc(Br)ccc1O ZINC000798965345 626263641 /nfs/dbraw/zinc/26/36/41/626263641.db2.gz ZRQBJDNCXDOCGE-UHFFFAOYSA-N 1 1 304.253 3.340 20 10 DGCDMO COC(=O)CC1(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000799297198 626284944 /nfs/dbraw/zinc/28/49/44/626284944.db2.gz SVUUBRFLWUVYLY-UHFFFAOYSA-N 1 1 316.445 3.060 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N(C)C(C)C ZINC000801596883 626411712 /nfs/dbraw/zinc/41/17/12/626411712.db2.gz SKMOREBBUXXMAM-OAHLLOKOSA-N 1 1 306.450 3.250 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CN1CCC(C)(C)C1=O ZINC000839969317 626562272 /nfs/dbraw/zinc/56/22/72/626562272.db2.gz NKYSIOKVWMJTLV-UHFFFAOYSA-N 1 1 317.477 3.179 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CN1C[C@@H](C)[C@H](C)C1=O ZINC000839969690 626563109 /nfs/dbraw/zinc/56/31/09/626563109.db2.gz LTGUHWGPDUAFAO-CVEARBPZSA-N 1 1 317.477 3.035 20 10 DGCDMO CCCC[N@@H+](Cc1cn(C)nc1CC)Cc1ccccc1O ZINC000802657804 626565231 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Cc1cc(C)c(O)c(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000808238440 626807709 /nfs/dbraw/zinc/80/77/09/626807709.db2.gz FSGLVPDLNSGMPL-UHFFFAOYSA-N 1 1 311.381 3.382 20 10 DGCDMO CC(C)(C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840148809 626868821 /nfs/dbraw/zinc/86/88/21/626868821.db2.gz ANTOCHDWFMQVFW-LRDDRELGSA-N 1 1 305.418 3.076 20 10 DGCDMO C[C@@H](CO)[N@@H+](Cc1c(O)ccc(Cl)c1F)CC1CCC1 ZINC000809665588 626934449 /nfs/dbraw/zinc/93/44/49/626934449.db2.gz WRVGKTLCKDQLMO-JTQLQIEISA-N 1 1 301.789 3.168 20 10 DGCDMO C[C@@H](CO)[N@H+](Cc1c(O)ccc(Cl)c1F)CC1CCC1 ZINC000809665588 626934453 /nfs/dbraw/zinc/93/44/53/626934453.db2.gz WRVGKTLCKDQLMO-JTQLQIEISA-N 1 1 301.789 3.168 20 10 DGCDMO CC[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2)C[C@@H](C)[S@]1=O ZINC000809700619 626938491 /nfs/dbraw/zinc/93/84/91/626938491.db2.gz KRHNUBSMTWAHBF-YBOAYWMSSA-N 1 1 322.518 3.264 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2)C[C@@H](C)[S@]1=O ZINC000809700619 626938496 /nfs/dbraw/zinc/93/84/96/626938496.db2.gz KRHNUBSMTWAHBF-YBOAYWMSSA-N 1 1 322.518 3.264 20 10 DGCDMO Oc1ccccc1C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000809703748 626939301 /nfs/dbraw/zinc/93/93/01/626939301.db2.gz PHIZOVJNBBVAOF-NRFANRHFSA-N 1 1 322.452 3.490 20 10 DGCDMO Oc1ccccc1C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000809703748 626939303 /nfs/dbraw/zinc/93/93/03/626939303.db2.gz PHIZOVJNBBVAOF-NRFANRHFSA-N 1 1 322.452 3.490 20 10 DGCDMO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1O ZINC000809724870 626942037 /nfs/dbraw/zinc/94/20/37/626942037.db2.gz CKMYXOAWRXWWLH-INIZCTEOSA-N 1 1 320.433 3.191 20 10 DGCDMO COC(=O)c1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000809733565 626942958 /nfs/dbraw/zinc/94/29/58/626942958.db2.gz ZGTJKYIIHZQNIH-UHFFFAOYSA-N 1 1 323.751 3.261 20 10 DGCDMO CC[C@@H](CSC)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809767046 626948767 /nfs/dbraw/zinc/94/87/67/626948767.db2.gz FSJSJKQZYGHCAA-KRWDZBQOSA-N 1 1 321.534 3.012 20 10 DGCDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809767046 626948776 /nfs/dbraw/zinc/94/87/76/626948776.db2.gz FSJSJKQZYGHCAA-KRWDZBQOSA-N 1 1 321.534 3.012 20 10 DGCDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809768067 626950197 /nfs/dbraw/zinc/95/01/97/626950197.db2.gz BJICKYNCINSRST-GOEBONIOSA-N 1 1 306.425 3.425 20 10 DGCDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000809767812 626950523 /nfs/dbraw/zinc/95/05/23/626950523.db2.gz UYAGFUAUQVWIQB-INIZCTEOSA-N 1 1 308.491 3.097 20 10 DGCDMO Fc1cc(C[N@H+]2CCC[C@@H](C3CC3)C2)ccc1N1CCOCC1 ZINC000809786872 626952881 /nfs/dbraw/zinc/95/28/81/626952881.db2.gz NODPNTFHXFQYCG-QGZVFWFLSA-N 1 1 318.436 3.284 20 10 DGCDMO C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1c(O)cccc1F ZINC000886515472 627155623 /nfs/dbraw/zinc/15/56/23/627155623.db2.gz HWENFRSWIGUMAW-ZDUSSCGKSA-N 1 1 300.377 3.198 20 10 DGCDMO COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886522430 627156825 /nfs/dbraw/zinc/15/68/25/627156825.db2.gz JABXLQODTNEFFH-LBPRGKRZSA-N 1 1 304.365 3.403 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1c(O)cccc1F ZINC000886551597 627161937 /nfs/dbraw/zinc/16/19/37/627161937.db2.gz KOQNRYRESHWTLC-SWLSCSKDSA-N 1 1 320.408 3.116 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1c(O)cccc1F ZINC000886553896 627162445 /nfs/dbraw/zinc/16/24/45/627162445.db2.gz XRDBRDPSOHHGOL-MQIPJXDCSA-N 1 1 311.422 3.237 20 10 DGCDMO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1c(O)cccc1F ZINC000886557313 627162933 /nfs/dbraw/zinc/16/29/33/627162933.db2.gz YFJQYEMREVSERG-LLVKDONJSA-N 1 1 304.321 3.333 20 10 DGCDMO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886596249 627169801 /nfs/dbraw/zinc/16/98/01/627169801.db2.gz ABBIVEPGLHWQPX-DZGCQCFKSA-N 1 1 303.377 3.094 20 10 DGCDMO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2c(O)cccc2F)c1 ZINC000886596534 627169850 /nfs/dbraw/zinc/16/98/50/627169850.db2.gz HOCDMLQXECUSJM-HIFRSBDPSA-N 1 1 303.377 3.094 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1c(O)cccc1F ZINC000886631710 627177430 /nfs/dbraw/zinc/17/74/30/627177430.db2.gz UTYMPLHYOQSJHI-LXIYXOSZSA-N 1 1 303.377 3.478 20 10 DGCDMO C[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1c(O)cccc1F ZINC000886635171 627177719 /nfs/dbraw/zinc/17/77/19/627177719.db2.gz XUQZRHOJOCDZCE-QMMMGPOBSA-N 1 1 315.270 3.191 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1c(O)cccc1F ZINC000886637608 627177873 /nfs/dbraw/zinc/17/78/73/627177873.db2.gz ASAZSCZOWCVIGZ-BJJXKVORSA-N 1 1 317.408 3.327 20 10 DGCDMO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886640103 627178478 /nfs/dbraw/zinc/17/84/78/627178478.db2.gz RJJGCBZDOOJLRJ-IIYDPXPESA-N 1 1 303.377 3.347 20 10 DGCDMO COc1cccc(CN2C[C@@H]3CCC[N@H+]3Cc3ccccc32)c1O ZINC000811508173 627283646 /nfs/dbraw/zinc/28/36/46/627283646.db2.gz DKHSBUOVDYKPMT-KRWDZBQOSA-N 1 1 324.424 3.385 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811512828 627284814 /nfs/dbraw/zinc/28/48/14/627284814.db2.gz LMDXVNLNMBBBDR-KRWDZBQOSA-N 1 1 312.388 3.168 20 10 DGCDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCn2cncc2C1 ZINC000811515406 627286023 /nfs/dbraw/zinc/28/60/23/627286023.db2.gz SGVYFYJVOAJLLD-UHFFFAOYSA-N 1 1 305.381 3.272 20 10 DGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCn2cncc2C1 ZINC000811515406 627286026 /nfs/dbraw/zinc/28/60/26/627286026.db2.gz SGVYFYJVOAJLLD-UHFFFAOYSA-N 1 1 305.381 3.272 20 10 DGCDMO COc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(O)cc1C ZINC000811777272 627321123 /nfs/dbraw/zinc/32/11/23/627321123.db2.gz IGVCSWNYWUGYPI-NVXWUHKLSA-N 1 1 305.418 3.099 20 10 DGCDMO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000812509824 627393958 /nfs/dbraw/zinc/39/39/58/627393958.db2.gz LSQAXTDVZOJNBK-HNNXBMFYSA-N 1 1 321.465 3.043 20 10 DGCDMO CC[N@H+](Cc1cnc(OC)s1)Cc1ccc(N(C)C)cc1 ZINC000813334768 627479467 /nfs/dbraw/zinc/47/94/67/627479467.db2.gz YABZWHQXNPYBBW-UHFFFAOYSA-N 1 1 305.447 3.240 20 10 DGCDMO CC[N@@H+](Cc1cnc(OC)s1)Cc1ccc(N(C)C)cc1 ZINC000813334768 627479468 /nfs/dbraw/zinc/47/94/68/627479468.db2.gz YABZWHQXNPYBBW-UHFFFAOYSA-N 1 1 305.447 3.240 20 10 DGCDMO C[C@@H](CNCc1ccc(N(C)C)cc1C(F)(F)F)C[NH+](C)C ZINC000813785916 627511532 /nfs/dbraw/zinc/51/15/32/627511532.db2.gz HXQUKVSMNNLJNE-LBPRGKRZSA-N 1 1 317.399 3.059 20 10 DGCDMO Cc1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000107797450 627546060 /nfs/dbraw/zinc/54/60/60/627546060.db2.gz QSUDDCKHCNWSHY-UHFFFAOYSA-N 1 1 309.457 3.037 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1 ZINC000814176393 627546733 /nfs/dbraw/zinc/54/67/33/627546733.db2.gz QHSJXKGLVDFQPI-ZDUSSCGKSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1 ZINC000814176393 627546735 /nfs/dbraw/zinc/54/67/35/627546735.db2.gz QHSJXKGLVDFQPI-ZDUSSCGKSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)ccc1N(C)C ZINC000815062453 627621569 /nfs/dbraw/zinc/62/15/69/627621569.db2.gz UVDDYVIZSGCRHA-SFHVURJKSA-N 1 1 311.429 3.109 20 10 DGCDMO C[N@@H+](Cc1ccnc(Br)c1)Cc1ccccc1O ZINC000815069658 627622171 /nfs/dbraw/zinc/62/21/71/627622171.db2.gz DWKOEFSNKJIXDC-UHFFFAOYSA-N 1 1 307.191 3.182 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)ccc1N(C)C ZINC000815117601 627629448 /nfs/dbraw/zinc/62/94/48/627629448.db2.gz ADMDMEQBJWGDTO-INIZCTEOSA-N 1 1 318.852 3.358 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](N3CCCC3)[C@@H]2C)ccc1N(C)C ZINC000815118666 627629731 /nfs/dbraw/zinc/62/97/31/627629731.db2.gz QYRMEVIPPBEJTF-LPHOPBHVSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@H](N3CCCC3)[C@@H]2C)ccc1N(C)C ZINC000815118666 627629734 /nfs/dbraw/zinc/62/97/34/627629734.db2.gz QYRMEVIPPBEJTF-LPHOPBHVSA-N 1 1 301.478 3.120 20 10 DGCDMO c1cc(NCc2ccc(N3CCOCC3)cc2)[nH+]c(C2CC2)c1 ZINC000815144056 627636592 /nfs/dbraw/zinc/63/65/92/627636592.db2.gz SLDDWVQUYPWJSI-UHFFFAOYSA-N 1 1 309.413 3.408 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cccc(C(F)(F)F)c1O ZINC000815562152 627685013 /nfs/dbraw/zinc/68/50/13/627685013.db2.gz YNUXXUAMJBPNJY-HZMBPMFUSA-N 1 1 316.367 3.402 20 10 DGCDMO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815583038 627687969 /nfs/dbraw/zinc/68/79/69/627687969.db2.gz VNHUGXZMNCUXPU-HOTUBEGUSA-N 1 1 323.380 3.174 20 10 DGCDMO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc(C(F)(F)F)c1O ZINC000815598153 627689908 /nfs/dbraw/zinc/68/99/08/627689908.db2.gz NVIGGBIPJRHITN-DCAQKATOSA-N 1 1 303.324 3.365 20 10 DGCDMO OCC[N@H+](Cc1ccccc1)Cc1cc(Cl)c(F)cc1O ZINC000816480098 627795096 /nfs/dbraw/zinc/79/50/96/627795096.db2.gz CUJXHIWKXZEZMN-UHFFFAOYSA-N 1 1 309.768 3.179 20 10 DGCDMO OCC[N@@H+](Cc1ccccc1)Cc1cc(Cl)c(F)cc1O ZINC000816480098 627795100 /nfs/dbraw/zinc/79/51/00/627795100.db2.gz CUJXHIWKXZEZMN-UHFFFAOYSA-N 1 1 309.768 3.179 20 10 DGCDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816477886 627795330 /nfs/dbraw/zinc/79/53/30/627795330.db2.gz NCVOJOUTVPHDMC-INIZCTEOSA-N 1 1 313.397 3.321 20 10 DGCDMO CC(C)[N@@H+]1CCCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816480387 627795511 /nfs/dbraw/zinc/79/55/11/627795511.db2.gz LVSRUOQZVRRJEM-UHFFFAOYSA-N 1 1 300.805 3.101 20 10 DGCDMO CC(C)[N@H+]1CCCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816480387 627795514 /nfs/dbraw/zinc/79/55/14/627795514.db2.gz LVSRUOQZVRRJEM-UHFFFAOYSA-N 1 1 300.805 3.101 20 10 DGCDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC000816515144 627800382 /nfs/dbraw/zinc/80/03/82/627800382.db2.gz QTDQMNAASIYZEI-AAEUAGOBSA-N 1 1 314.832 3.489 20 10 DGCDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC000816515144 627800384 /nfs/dbraw/zinc/80/03/84/627800384.db2.gz QTDQMNAASIYZEI-AAEUAGOBSA-N 1 1 314.832 3.489 20 10 DGCDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC000816515144 627800387 /nfs/dbraw/zinc/80/03/87/627800387.db2.gz QTDQMNAASIYZEI-AAEUAGOBSA-N 1 1 314.832 3.489 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000816528562 627802602 /nfs/dbraw/zinc/80/26/02/627802602.db2.gz IDNZBWREYYIEGA-HNNXBMFYSA-N 1 1 313.731 3.147 20 10 DGCDMO CC(=O)Nc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816530994 627803263 /nfs/dbraw/zinc/80/32/63/627803263.db2.gz CNXKCVGNXYWRCK-UHFFFAOYSA-N 1 1 322.767 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)C1CCCCC1 ZINC000816546278 627804762 /nfs/dbraw/zinc/80/47/62/627804762.db2.gz DUUYLRWMAAHFRG-OAHLLOKOSA-N 1 1 301.789 3.216 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1c(F)ccc(O)c1F ZINC000816549839 627805955 /nfs/dbraw/zinc/80/59/55/627805955.db2.gz ZTWZAVJLHCQAHD-UHFFFAOYSA-N 1 1 306.356 3.335 20 10 DGCDMO Cc1ccsc1[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816555100 627806905 /nfs/dbraw/zinc/80/69/05/627806905.db2.gz UFGNNMNTRZAIBL-LBPRGKRZSA-N 1 1 315.797 3.378 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@H]1CCCC[C@H]1O ZINC000816564439 627808668 /nfs/dbraw/zinc/80/86/68/627808668.db2.gz GFKFHRYIXDOZEO-QMTHXVAHSA-N 1 1 301.789 3.168 20 10 DGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@H]1CCCC[C@H]1O ZINC000816564439 627808671 /nfs/dbraw/zinc/80/86/71/627808671.db2.gz GFKFHRYIXDOZEO-QMTHXVAHSA-N 1 1 301.789 3.168 20 10 DGCDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816587769 627811468 /nfs/dbraw/zinc/81/14/68/627811468.db2.gz VXGKGHUKQBSKSJ-GPCCPHFNSA-N 1 1 301.789 3.166 20 10 DGCDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816587769 627811470 /nfs/dbraw/zinc/81/14/70/627811470.db2.gz VXGKGHUKQBSKSJ-GPCCPHFNSA-N 1 1 301.789 3.166 20 10 DGCDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816587769 627811474 /nfs/dbraw/zinc/81/14/74/627811474.db2.gz VXGKGHUKQBSKSJ-GPCCPHFNSA-N 1 1 301.789 3.166 20 10 DGCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(Cl)c(F)cc1O ZINC000816608396 627814529 /nfs/dbraw/zinc/81/45/29/627814529.db2.gz YNLJMRAVXWAFQH-FJFDNZNASA-N 1 1 311.784 3.040 20 10 DGCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc(Cl)c(F)cc1O ZINC000816608396 627814532 /nfs/dbraw/zinc/81/45/32/627814532.db2.gz YNLJMRAVXWAFQH-FJFDNZNASA-N 1 1 311.784 3.040 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)C[C@@H](C)[S@@]1=O ZINC000816608815 627814701 /nfs/dbraw/zinc/81/47/01/627814701.db2.gz KEOGOYBZQDJKHQ-XNVILDLWSA-N 1 1 317.454 3.277 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000816657426 627821638 /nfs/dbraw/zinc/82/16/38/627821638.db2.gz RRXUDKDGQXXNMU-INIZCTEOSA-N 1 1 307.821 3.437 20 10 DGCDMO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2O)C1 ZINC000817415177 627896777 /nfs/dbraw/zinc/89/67/77/627896777.db2.gz TZLHNAHMRMEBQV-HIFRSBDPSA-N 1 1 305.418 3.192 20 10 DGCDMO CC[C@@H]([NH2+][C@H](C)C1(OC)CCOCC1)c1ccc(F)cc1O ZINC000817588845 627927577 /nfs/dbraw/zinc/92/75/77/627927577.db2.gz RSNGNSFJZZAJNV-IUODEOHRSA-N 1 1 311.397 3.156 20 10 DGCDMO CN(C)c1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1F ZINC000817901174 627956039 /nfs/dbraw/zinc/95/60/39/627956039.db2.gz SVONSIRNCZUOKW-KBAYOESNSA-N 1 1 319.468 3.292 20 10 DGCDMO CC1CCN(c2ccc(C[NH2+][C@H]3CNCC[C@@H]3C)cc2)CC1 ZINC000817902781 627957430 /nfs/dbraw/zinc/95/74/30/627957430.db2.gz YEEROIXBQJRKQY-LPHOPBHVSA-N 1 1 301.478 3.011 20 10 DGCDMO C[C@@H](NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)C1C[NH2+]C1 ZINC000817932732 627965788 /nfs/dbraw/zinc/96/57/88/627965788.db2.gz XKSUHXQOGNIFPY-UONOGXRCSA-N 1 1 321.896 3.274 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CCCc3sccc32)cc1 ZINC000817938751 627967188 /nfs/dbraw/zinc/96/71/88/627967188.db2.gz RHCNELAYAHIGIU-SJORKVTESA-N 1 1 315.486 3.481 20 10 DGCDMO Cc1cc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(C)o1 ZINC000817939215 627967263 /nfs/dbraw/zinc/96/72/63/627967263.db2.gz AMMIEAOHFFGXKI-SCLBCKFNSA-N 1 1 301.434 3.313 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817942033 627968886 /nfs/dbraw/zinc/96/88/86/627968886.db2.gz WBUZWFWTQKGDPI-MFKMUULPSA-N 1 1 303.233 3.492 20 10 DGCDMO Cc1cc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)oc1C ZINC000817941873 627969021 /nfs/dbraw/zinc/96/90/21/627969021.db2.gz LHYQUQDMFGWJEB-CXAGYDPISA-N 1 1 301.434 3.313 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)cn1 ZINC000817942623 627969433 /nfs/dbraw/zinc/96/94/33/627969433.db2.gz QBMQQAVLEGNQBM-BLLLJJGKSA-N 1 1 318.852 3.152 20 10 DGCDMO CCC[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817942909 627969999 /nfs/dbraw/zinc/96/99/99/627969999.db2.gz RMZKZJRKYOUDFF-MOPGFXCFSA-N 1 1 312.461 3.278 20 10 DGCDMO CC[C@@H](NCC(F)(F)C[NH3+])c1ccc(C(F)(F)F)cc1O ZINC000817968365 627978665 /nfs/dbraw/zinc/97/86/65/627978665.db2.gz QPBCFFGKFZEDCE-SNVBAGLBSA-N 1 1 312.282 3.046 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1c(O)cccc1F ZINC000926922209 627981904 /nfs/dbraw/zinc/98/19/04/627981904.db2.gz IOQXFTMSTQSTTM-QWRGUYRKSA-N 1 1 320.330 3.209 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1c(O)cccc1F ZINC000927002615 627995502 /nfs/dbraw/zinc/99/55/02/627995502.db2.gz WJWRTZXLQJEWAB-NEPJUHHUSA-N 1 1 324.396 3.191 20 10 DGCDMO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C)c3c(O)cccc3F)C2)n1 ZINC000927054522 628003726 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3.064 20 10 DGCDMO COC(=O)CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC000835030314 629829970 /nfs/dbraw/zinc/82/99/70/629829970.db2.gz WXQTURQQGYTOBN-SREVYHEPSA-N 1 1 304.434 3.039 20 10 DGCDMO CN(C)c1ccc(/C=C\CNCCC[NH+]2CCCCC2)cc1 ZINC000835035053 629830248 /nfs/dbraw/zinc/83/02/48/629830248.db2.gz DKGVSSVDPZQVLO-VURMDHGXSA-N 1 1 301.478 3.231 20 10 DGCDMO CN(C)c1ccc(/C=C\CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000835036370 629830368 /nfs/dbraw/zinc/83/03/68/629830368.db2.gz PTUZUTQWNOBVBZ-ARJAWSKDSA-N 1 1 313.489 3.230 20 10 DGCDMO CN(C)c1ccc(/C=C\CNC2CC[NH+](C3CCC3)CC2)cc1 ZINC000835034415 629830429 /nfs/dbraw/zinc/83/04/29/629830429.db2.gz ANIGYISQPYKZOW-PLNGDYQASA-N 1 1 313.489 3.372 20 10 DGCDMO CN(C)c1ccc(/C=C\C[NH2+]C2CCN(C3CCC3)CC2)cc1 ZINC000835034415 629830432 /nfs/dbraw/zinc/83/04/32/629830432.db2.gz ANIGYISQPYKZOW-PLNGDYQASA-N 1 1 313.489 3.372 20 10 DGCDMO CC(C)[N@@H+]1CCC[C@@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835038577 629831026 /nfs/dbraw/zinc/83/10/26/629831026.db2.gz 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c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000840978681 630390048 /nfs/dbraw/zinc/39/00/48/630390048.db2.gz RCBFVAJDPWTNCE-SFHVURJKSA-N 1 1 300.446 3.145 20 10 DGCDMO C[C@H]([NH3+])c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000841027988 630398236 /nfs/dbraw/zinc/39/82/36/630398236.db2.gz ISABAZAEKOTAHX-INIZCTEOSA-N 1 1 324.472 3.070 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)cc1F ZINC000841032235 630399117 /nfs/dbraw/zinc/39/91/17/630399117.db2.gz AEQVSWBACUPVFD-HOCLYGCPSA-N 1 1 307.457 3.150 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CNC/C=C\c2ccc(F)cc2)cc1 ZINC000841046056 630401965 /nfs/dbraw/zinc/40/19/65/630401965.db2.gz VJYDAJFRUILBEW-ZRHASKPBSA-N 1 1 313.420 3.195 20 10 DGCDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841301507 630425637 /nfs/dbraw/zinc/42/56/37/630425637.db2.gz RKMXPRCEQNPRMP-UHFFFAOYSA-N 1 1 318.465 3.245 20 10 DGCDMO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(Cl)cc1O ZINC000841743837 630461115 /nfs/dbraw/zinc/46/11/15/630461115.db2.gz 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[O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843044485 630607770 /nfs/dbraw/zinc/60/77/70/630607770.db2.gz DGPASMZFXSLUAS-ABAIWWIYSA-N 1 1 312.816 3.149 20 10 DGCDMO Oc1c(F)cc(Cl)cc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000843047971 630608511 /nfs/dbraw/zinc/60/85/11/630608511.db2.gz FSQDJFUDZIFOBW-HUUCEWRRSA-N 1 1 312.816 3.291 20 10 DGCDMO CCCN(CCC)c1ccc(CN2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000843051706 630608606 /nfs/dbraw/zinc/60/86/06/630608606.db2.gz KSAYTYBGHVUEKG-LPHOPBHVSA-N 1 1 303.494 3.482 20 10 DGCDMO C[C@H]1CC2(C[N@H+]1Cc1ccc(N(C)C)c(F)c1)CCOCC2 ZINC000843431541 630658129 /nfs/dbraw/zinc/65/81/29/630658129.db2.gz GXTDZPNTSKJQHY-AWEZNQCLSA-N 1 1 306.425 3.283 20 10 DGCDMO CCOc1cccc(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)c1O ZINC000843435173 630658677 /nfs/dbraw/zinc/65/86/77/630658677.db2.gz QRTKNBHOPSKPOC-AWEZNQCLSA-N 1 1 305.418 3.324 20 10 DGCDMO CCOc1ccc(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c(O)c1 ZINC000843435919 630658942 /nfs/dbraw/zinc/65/89/42/630658942.db2.gz 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Cc1ccc(O)c(CN[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000849349834 631900412 /nfs/dbraw/zinc/90/04/12/631900412.db2.gz KNXCJVORFWHJIW-QZTJIDSGSA-N 1 1 314.404 3.075 20 10 DGCDMO CN(C)c1ccc(/C=C\CN[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000850351011 632121853 /nfs/dbraw/zinc/12/18/53/632121853.db2.gz JTCQYCFTRKUNFB-JTGQJZMRSA-N 1 1 301.478 3.228 20 10 DGCDMO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCN(C(C)(C)C)C2)cc1 ZINC000850351011 632121857 /nfs/dbraw/zinc/12/18/57/632121857.db2.gz JTCQYCFTRKUNFB-JTGQJZMRSA-N 1 1 301.478 3.228 20 10 DGCDMO CC[C@@H]([NH2+][C@H](COC)C1CCOCC1)c1ccc(F)cc1O ZINC000850494864 632170708 /nfs/dbraw/zinc/17/07/08/632170708.db2.gz YNDVJKJXDWFPRB-HZPDHXFCSA-N 1 1 311.397 3.014 20 10 DGCDMO CC[C@@H]([NH2+]Cc1nccc(OC)c1F)c1ccc(F)cc1O ZINC000850536727 632186405 /nfs/dbraw/zinc/18/64/05/632186405.db2.gz MZVHHEXHDIQLEY-GFCCVEGCSA-N 1 1 308.328 3.315 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1O ZINC000850545595 632187804 /nfs/dbraw/zinc/18/78/04/632187804.db2.gz QILOCBJKGJJWDP-JQWIXIFHSA-N 1 1 317.351 3.470 20 10 DGCDMO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1cccc(C(F)(F)F)c1O ZINC000850547252 632189095 /nfs/dbraw/zinc/18/90/95/632189095.db2.gz SHMIKZJNZNUJAD-ZWKOPEQDSA-N 1 1 315.335 3.365 20 10 DGCDMO C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1ccc(F)cc1O ZINC000850566596 632196627 /nfs/dbraw/zinc/19/66/27/632196627.db2.gz OIBBPOMLHOBTAN-JTQLQIEISA-N 1 1 303.324 3.122 20 10 DGCDMO C[C@H](O)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccccc1 ZINC000850583622 632201948 /nfs/dbraw/zinc/20/19/48/632201948.db2.gz MSGLHRLTGUIBDV-MMPTUQATSA-N 1 1 307.340 3.443 20 10 DGCDMO CSc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000109770190 632316750 /nfs/dbraw/zinc/31/67/50/632316750.db2.gz BWGHSLHJDILTPP-UHFFFAOYSA-N 1 1 316.426 3.185 20 10 DGCDMO CSc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2O)c1 ZINC000109770190 632316754 /nfs/dbraw/zinc/31/67/54/632316754.db2.gz BWGHSLHJDILTPP-UHFFFAOYSA-N 1 1 316.426 3.185 20 10 DGCDMO CCOC[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000093839103 662360427 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COc1c(O)c(C[NH2+]C[C@@H]2CCC[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000795999124 661184308 /nfs/dbraw/zinc/18/43/08/661184308.db2.gz HAFJZVBPOQZKRJ-XQQFMLRXSA-N 1 1 322.405 3.471 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000179936289 655923038 /nfs/dbraw/zinc/92/30/38/655923038.db2.gz JXSVAZRUPOKDOX-UHFFFAOYSA-N 1 1 305.418 3.326 20 10 DGCDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180286862 656092179 /nfs/dbraw/zinc/09/21/79/656092179.db2.gz DOIWSQBDDHZYGF-CYBMUJFWSA-N 1 1 309.381 3.087 20 10 DGCDMO COc1ccc(OCC[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000184903605 656122151 /nfs/dbraw/zinc/12/21/51/656122151.db2.gz RGSIVJOGINHYFX-LBPRGKRZSA-N 1 1 305.349 3.270 20 10 DGCDMO CC[C@@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000178849181 657083502 /nfs/dbraw/zinc/08/35/02/657083502.db2.gz ISNDMQXQPPFCDA-CQSZACIVSA-N 1 1 307.434 3.309 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000178849181 657083505 /nfs/dbraw/zinc/08/35/05/657083505.db2.gz 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[NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]21 ZINC000228535421 659194693 /nfs/dbraw/zinc/19/46/93/659194693.db2.gz KPPIOEMCUDJPDM-MRCXROJRSA-N 1 1 315.244 3.258 20 10 DGCDMO CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000230744740 659347491 /nfs/dbraw/zinc/34/74/91/659347491.db2.gz GJDOXMPRHVFKPU-UHFFFAOYSA-N 1 1 305.249 3.473 20 10 DGCDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C)c1O ZINC000179741920 659940416 /nfs/dbraw/zinc/94/04/16/659940416.db2.gz UXHHNXAEHJJWSC-UHFFFAOYSA-N 1 1 310.397 3.221 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccc(OC)c(C)c2)c1 ZINC000179960166 659947800 /nfs/dbraw/zinc/94/78/00/659947800.db2.gz HVSXSBDJVMXSFW-UHFFFAOYSA-N 1 1 301.386 3.350 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1 ZINC000180192694 659954835 /nfs/dbraw/zinc/95/48/35/659954835.db2.gz JFVDWNVAETVTAZ-ZDUSSCGKSA-N 1 1 301.386 3.169 20 10 DGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(OC)ccc2O)C12CCC2 ZINC000180749120 659969472 /nfs/dbraw/zinc/96/94/72/659969472.db2.gz 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C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC[N@@H+]1C ZINC000090721728 662272872 /nfs/dbraw/zinc/27/28/72/662272872.db2.gz XBZUWVIBGDOXFQ-BXKDBHETSA-N 1 1 303.233 3.271 20 10 DGCDMO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC[N@H+]1C ZINC000090721728 662272877 /nfs/dbraw/zinc/27/28/77/662272877.db2.gz XBZUWVIBGDOXFQ-BXKDBHETSA-N 1 1 303.233 3.271 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCC[C@@H]1O ZINC000091898803 662324162 /nfs/dbraw/zinc/32/41/62/662324162.db2.gz QUKHJZAQZAGYRO-MJGOQNOKSA-N 1 1 302.462 3.270 20 10 DGCDMO COC(=O)c1cc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)oc1C ZINC000247822241 662328597 /nfs/dbraw/zinc/32/85/97/662328597.db2.gz INJOTYKHGKDHGL-UHFFFAOYSA-N 1 1 317.385 3.329 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](CC)Cc2cnn(C)c2)cc1F ZINC000092437821 662331006 /nfs/dbraw/zinc/33/10/06/662331006.db2.gz QXOHKWWZTJAOCQ-UHFFFAOYSA-N 1 1 318.440 3.428 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)cc1 ZINC000092660669 662333549 /nfs/dbraw/zinc/33/35/49/662333549.db2.gz RERXDPLOZYSJAS-MRXNPFEDSA-N 1 1 317.477 3.010 20 10 DGCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1OC ZINC000248416837 662344591 /nfs/dbraw/zinc/34/45/91/662344591.db2.gz JBJFYXSHUBABNA-AEGPPILISA-N 1 1 305.418 3.420 20 10 DGCDMO CC[N@H+](Cc1cccc(OC)c1O)C[C@H](O)c1ccc(C)cc1 ZINC000093641070 662358534 /nfs/dbraw/zinc/35/85/34/662358534.db2.gz KWUKKOWAFIZGSG-KRWDZBQOSA-N 1 1 315.413 3.265 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000093770677 662359992 /nfs/dbraw/zinc/35/99/92/662359992.db2.gz ZZBBBKFAKHSSRU-SFHVURJKSA-N 1 1 303.494 3.306 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@@H](C[N@@H+](C)CC)C2)cc1 ZINC000093770677 662359994 /nfs/dbraw/zinc/35/99/94/662359994.db2.gz ZZBBBKFAKHSSRU-SFHVURJKSA-N 1 1 303.494 3.306 20 10 DGCDMO CCOC[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000093839103 662360424 /nfs/dbraw/zinc/36/04/24/662360424.db2.gz NFTPUEXGGYTKRM-NSHDSACASA-N 1 1 314.223 3.013 20 10 DGCDMO CCOC[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000093839103 662360426 /nfs/dbraw/zinc/36/04/26/662360426.db2.gz NFTPUEXGGYTKRM-NSHDSACASA-N 1 1 314.223 3.013 20 10 DGCDMO Cc1cc(Br)cc(C[N@@H+]2CCCOC[C@@H]2C)c1O ZINC000398899438 685238577 /nfs/dbraw/zinc/23/85/77/685238577.db2.gz CQUWIIOAAPRXBW-NSHDSACASA-N 1 1 314.223 3.074 20 10 DGCDMO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(F)c(F)c1O ZINC001580339706 1192022384 /nfs/dbraw/zinc/02/23/84/1192022384.db2.gz AFNMZOBOYRDCNB-UHFFFAOYSA-N 1 1 304.340 3.082 20 10 DGCDMO C[C@H]1CCC[N@@H+]1CCNCc1ccc(N2CCCCC2)cc1 ZINC001620821759 1192173728 /nfs/dbraw/zinc/17/37/28/1192173728.db2.gz IPQAURPXMJDOFI-KRWDZBQOSA-N 1 1 301.478 3.251 20 10 DGCDMO C[C@H]1CCC[N@H+]1CCNCc1ccc(N2CCCCC2)cc1 ZINC001620821759 1192173732 /nfs/dbraw/zinc/17/37/32/1192173732.db2.gz IPQAURPXMJDOFI-KRWDZBQOSA-N 1 1 301.478 3.251 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001331961681 1178321703 /nfs/dbraw/zinc/32/17/03/1178321703.db2.gz ZFEUFWIYBXBCFQ-MJGOQNOKSA-N 1 1 300.446 3.288 20 10 DGCDMO Oc1cccc(F)c1C[NH2+]Cc1ccccc1N1CCCC1 ZINC001343269670 1179249846 /nfs/dbraw/zinc/24/98/46/1179249846.db2.gz YMLFCSAHYQNFOW-UHFFFAOYSA-N 1 1 300.377 3.421 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cccc3c[nH]nc32)cc1 ZINC001346207266 1179670582 /nfs/dbraw/zinc/67/05/82/1179670582.db2.gz WEJYACSXOHEODW-UHFFFAOYSA-N 1 1 324.428 3.140 20 10 DGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CNCCC1(F)F ZINC001354234659 1180753746 /nfs/dbraw/zinc/75/37/46/1180753746.db2.gz ILRKIEAZHGJUQP-AGIUHOORSA-N 1 1 310.388 3.083 20 10 DGCDMO C[N@@H+](CC(=O)NCc1c(O)ccc2ccccc21)CC(C)(C)C ZINC001456310134 1182409543 /nfs/dbraw/zinc/40/95/43/1182409543.db2.gz OTSQPWHSJDZTNH-UHFFFAOYSA-N 1 1 314.429 3.140 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCCOCCc1ccccc1 ZINC001461063496 1182763258 /nfs/dbraw/zinc/76/32/58/1182763258.db2.gz BXPRMJGRLPDMBP-UHFFFAOYSA-N 1 1 321.367 3.409 20 10 DGCDMO Oc1c(F)cc(F)cc1CN1CC[NH+](C2CCCCC2)CC1 ZINC001462044090 1182901225 /nfs/dbraw/zinc/90/12/25/1182901225.db2.gz RAYVZPNTGBRKCC-UHFFFAOYSA-N 1 1 310.388 3.121 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+](CCN(C)C)C1CCCC1 ZINC001462112144 1182909047 /nfs/dbraw/zinc/90/90/47/1182909047.db2.gz VKTRCDQSRWVCHV-UHFFFAOYSA-N 1 1 303.494 3.367 20 10 DGCDMO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(Cl)cc1O)C1CC1 ZINC001462118318 1182910369 /nfs/dbraw/zinc/91/03/69/1182910369.db2.gz GIUKOTIJJCMXRD-AWEZNQCLSA-N 1 1 311.809 3.352 20 10 DGCDMO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(Cl)cc1O)C1CC1 ZINC001462118318 1182910376 /nfs/dbraw/zinc/91/03/76/1182910376.db2.gz GIUKOTIJJCMXRD-AWEZNQCLSA-N 1 1 311.809 3.352 20 10 DGCDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)C12CCC2 ZINC001462251936 1182928828 /nfs/dbraw/zinc/92/88/28/1182928828.db2.gz ANFIAJULEGGNKH-DLBZAZTESA-N 1 1 324.415 3.420 20 10 DGCDMO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(F)c(F)cc1O ZINC001462357191 1182942787 /nfs/dbraw/zinc/94/27/87/1182942787.db2.gz UGLTVBSBKGJYRV-WBVHZDCISA-N 1 1 305.324 3.072 20 10 DGCDMO COC(=O)C[C@](C)([NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC001462520790 1182963363 /nfs/dbraw/zinc/96/33/63/1182963363.db2.gz SZFSEQOBMGLUOG-HNNXBMFYSA-N 1 1 315.772 3.006 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)CCOCC2CCCC2)cc1 ZINC001473610388 1183781169 /nfs/dbraw/zinc/78/11/69/1183781169.db2.gz NXUCPICTBZMDRQ-UHFFFAOYSA-N 1 1 320.477 3.270 20 10 DGCDMO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001474013216 1183849394 /nfs/dbraw/zinc/84/93/94/1183849394.db2.gz DPFPNOOJXKZFGC-IEBWSBKVSA-N 1 1 315.505 3.497 20 10 DGCDMO CCSCC[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001474025790 1183853708 /nfs/dbraw/zinc/85/37/08/1183853708.db2.gz ZVUDOBGLNXWMGX-MRXNPFEDSA-N 1 1 321.534 3.060 20 10 DGCDMO Oc1cccc(Cl)c1CN[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001474031727 1183855375 /nfs/dbraw/zinc/85/53/75/1183855375.db2.gz VCWGTQIRBMEGGO-AWEZNQCLSA-N 1 1 308.853 3.400 20 10 DGCDMO Oc1cccc(Cl)c1C[NH2+][C@H]1CCN(CC2CCCC2)C1 ZINC001474031727 1183855377 /nfs/dbraw/zinc/85/53/77/1183855377.db2.gz VCWGTQIRBMEGGO-AWEZNQCLSA-N 1 1 308.853 3.400 20 10 DGCDMO COc1cc(C)c(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c(O)c1 ZINC001474706171 1183965824 /nfs/dbraw/zinc/96/58/24/1183965824.db2.gz YULXKXUENIWUIJ-MAUKXSAKSA-N 1 1 317.360 3.271 20 10 DGCDMO O=c1[nH]cc(C[NH2+]Cc2cc(F)c(F)cc2O)c2ccccc12 ZINC001474713626 1183967081 /nfs/dbraw/zinc/96/70/81/1183967081.db2.gz KPYQRPIXWFEOSK-UHFFFAOYSA-N 1 1 316.307 3.214 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](CCC(=O)OC)CC(C)C)cc1 ZINC001559510118 1189211660 /nfs/dbraw/zinc/21/16/60/1189211660.db2.gz CBWGPEKZKRYQIB-UHFFFAOYSA-N 1 1 306.450 3.164 20 10 DGCDMO COc1ccc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)cc1 ZINC001559966621 1189263670 /nfs/dbraw/zinc/26/36/70/1189263670.db2.gz GLVUYDYUGITXJC-UHFFFAOYSA-N 1 1 314.429 3.272 20 10 DGCDMO CC[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001560476519 1189331836 /nfs/dbraw/zinc/33/18/36/1189331836.db2.gz LNIVZTDEYDWPFW-OALUTQOASA-N 1 1 315.505 3.354 20 10 DGCDMO CSC[C@H]1CCC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001560630102 1189351896 /nfs/dbraw/zinc/35/18/96/1189351896.db2.gz MWPPUHFPMONPPV-GFCCVEGCSA-N 1 1 300.418 3.358 20 10 DGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001560880218 1189399908 /nfs/dbraw/zinc/39/99/08/1189399908.db2.gz CGLOKMOQCPEKRL-AWEZNQCLSA-N 1 1 312.404 3.422 20 10 DGCDMO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001560890702 1189401175 /nfs/dbraw/zinc/40/11/75/1189401175.db2.gz ONENTSLGQRSSKN-OCCSQVGLSA-N 1 1 323.408 3.331 20 10 DGCDMO CC1(C)CC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)OC1 ZINC001560987457 1189416449 /nfs/dbraw/zinc/41/64/49/1189416449.db2.gz MXYHCGKJCAEYCZ-NSHDSACASA-N 1 1 301.789 3.480 20 10 DGCDMO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC001576389936 1191579578 /nfs/dbraw/zinc/57/95/78/1191579578.db2.gz NIZYANAQFZRDRI-OTWHNJEPSA-N 1 1 313.489 3.153 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)cc1 ZINC001620481894 1193771928 /nfs/dbraw/zinc/77/19/28/1193771928.db2.gz UZNKASBQMADKHY-PMACEKPBSA-N 1 1 310.441 3.451 20 10 DGCDMO CCN(C)c1ccc(C[NH2+][C@@H](CO)c2cc(F)ccc2F)cc1 ZINC001620669714 1193789374 /nfs/dbraw/zinc/78/93/74/1193789374.db2.gz YEFBBBRANCXOHB-SFHVURJKSA-N 1 1 320.383 3.244 20 10 DGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c(C)cc(OC)cc2O)C1(C)C ZINC001621122154 1193806166 /nfs/dbraw/zinc/80/61/66/1193806166.db2.gz UCTFKECKKBKKLU-IAGOWNOFSA-N 1 1 307.434 3.345 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H]2C2CCOCC2)c(O)c1 ZINC001621203122 1193816842 /nfs/dbraw/zinc/81/68/42/1193816842.db2.gz ZXPOPZNZTVWLTH-KRWDZBQOSA-N 1 1 305.418 3.100 20 10 DGCDMO Oc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)C2 ZINC001621292302 1193827622 /nfs/dbraw/zinc/82/76/22/1193827622.db2.gz UXTQZJQPFXUWLO-CYBMUJFWSA-N 1 1 305.324 3.023 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C[C@H]1C(=O)OC(C)(C)C ZINC001621408998 1193838308 /nfs/dbraw/zinc/83/83/08/1193838308.db2.gz OAENXTUKOYSXOW-TZMCWYRMSA-N 1 1 323.408 3.331 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C[C@H]1C(=O)OC(C)(C)C ZINC001621408998 1193838311 /nfs/dbraw/zinc/83/83/11/1193838311.db2.gz OAENXTUKOYSXOW-TZMCWYRMSA-N 1 1 323.408 3.331 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C[C@H]1C(=O)OC(C)(C)C ZINC001621408998 1193838312 /nfs/dbraw/zinc/83/83/12/1193838312.db2.gz OAENXTUKOYSXOW-TZMCWYRMSA-N 1 1 323.408 3.331 20 10 DGCDMO Oc1c(F)cccc1C[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC001621406816 1193838837 /nfs/dbraw/zinc/83/88/37/1193838837.db2.gz FFYDTGPLQMDPMM-UHFFFAOYSA-N 1 1 311.259 3.143 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1nc(-c2cccnc2)no1 ZINC001648054288 1195273820 /nfs/dbraw/zinc/27/38/20/1195273820.db2.gz TUGPMXJSURWFLU-RYUDHWBXSA-N 1 1 310.357 3.249 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1[N+](=O)[O-] ZINC001651513173 1195474374 /nfs/dbraw/zinc/47/43/74/1195474374.db2.gz OIMFRTHYTKSSSE-SECBINFHSA-N 1 1 308.284 3.429 20 10 DGCDMO COCCOC[C@@H]1CC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001651723106 1195502951 /nfs/dbraw/zinc/50/29/51/1195502951.db2.gz RJNDDBCFPKWHQL-OAHLLOKOSA-N 1 1 307.434 3.001 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC001651731037 1195503014 /nfs/dbraw/zinc/50/30/14/1195503014.db2.gz MVCPJCVPVBQFSZ-INIZCTEOSA-N 1 1 305.418 3.243 20 10 DGCDMO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cccc(F)c1O ZINC001652028810 1195539097 /nfs/dbraw/zinc/53/90/97/1195539097.db2.gz ZDDRHXDZDNMXEB-UHFFFAOYSA-N 1 1 324.739 3.425 20 10 DGCDMO CCn1cc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)c(C)n1 ZINC001652407652 1195593771 /nfs/dbraw/zinc/59/37/71/1195593771.db2.gz UTCUBHUYYRVLHH-UHFFFAOYSA-N 1 1 312.461 3.444 20 10 DGCDMO CN(C)c1ccc(/C=C\C[NH+]2CC(C(=O)OC(C)(C)C)C2)cc1 ZINC001653253066 1195704196 /nfs/dbraw/zinc/70/41/96/1195704196.db2.gz XPWKEBHBOOAOII-SREVYHEPSA-N 1 1 316.445 3.039 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCOc1cccc(Cl)c1 ZINC001655373753 1195909582 /nfs/dbraw/zinc/90/95/82/1195909582.db2.gz NZQIEALEICCSNB-UHFFFAOYSA-N 1 1 313.731 3.492 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1 ZINC001655401474 1195912948 /nfs/dbraw/zinc/91/29/48/1195912948.db2.gz ZQHFDCXONAMVLD-FHWLQOOXSA-N 1 1 302.462 3.268 20 10 DGCDMO CCOCc1cc(CNCC[N@@H+]2CCC[C@H](C)C2)ccc1OC ZINC001656044882 1195991421 /nfs/dbraw/zinc/99/14/21/1195991421.db2.gz PODXPXUIJFOYKO-INIZCTEOSA-N 1 1 320.477 3.053 20 10 DGCDMO CCOCc1cc(CNCC[N@H+]2CCC[C@H](C)C2)ccc1OC ZINC001656044882 1195991424 /nfs/dbraw/zinc/99/14/24/1195991424.db2.gz PODXPXUIJFOYKO-INIZCTEOSA-N 1 1 320.477 3.053 20 10 DGCDMO CC(C)c1nnc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)[nH]1 ZINC001656040830 1195991706 /nfs/dbraw/zinc/99/17/06/1195991706.db2.gz KVZGRNIGJPXRLA-CQSZACIVSA-N 1 1 313.449 3.379 20 10 DGCDMO CC(C)[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H](CO)C(C)C ZINC001656291406 1196026811 /nfs/dbraw/zinc/02/68/11/1196026811.db2.gz DLXDRLDMQZDIRH-DZGCQCFKSA-N 1 1 301.377 3.049 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccc2nonc2c1 ZINC001657099828 1196105557 /nfs/dbraw/zinc/10/55/57/1196105557.db2.gz UBLVPCGEPSAXAX-UHFFFAOYSA-N 1 1 307.712 3.011 20 10 DGCDMO C[NH+](C)[C@@H]1CCC[C@H](NCc2ccc(N3CCCC3)cc2)C1 ZINC001657322249 1196130208 /nfs/dbraw/zinc/13/02/08/1196130208.db2.gz DXOMONJJQNCUJA-PKOBYXMFSA-N 1 1 301.478 3.249 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CCS1 ZINC001657448408 1196141816 /nfs/dbraw/zinc/14/18/16/1196141816.db2.gz FAUHZUSAZZXGAH-JTQLQIEISA-N 1 1 316.264 3.482 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC001657921110 1196193756 /nfs/dbraw/zinc/19/37/56/1196193756.db2.gz PDBDKSHZDRKEGH-KXBFYZLASA-N 1 1 319.445 3.286 20 10 DGCDMO CCN(CC)c1ccc(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001658272816 1196233949 /nfs/dbraw/zinc/23/39/49/1196233949.db2.gz AAQUDNCOVPHXDF-KRWDZBQOSA-N 1 1 303.494 3.495 20 10 DGCDMO CCN(CC)c1ccc(CN[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC001658272816 1196233952 /nfs/dbraw/zinc/23/39/52/1196233952.db2.gz AAQUDNCOVPHXDF-KRWDZBQOSA-N 1 1 303.494 3.495 20 10 DGCDMO CCCn1cncc1C[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001658695374 1196289046 /nfs/dbraw/zinc/28/90/46/1196289046.db2.gz LLGRMWVSNRAWIJ-UHFFFAOYSA-N 1 1 300.450 3.381 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)[C@H](CC)CN1C(C)=O ZINC001658833395 1196307113 /nfs/dbraw/zinc/30/71/13/1196307113.db2.gz QYOFHZULHCUOQY-HZPDHXFCSA-N 1 1 324.852 3.267 20 10 DGCDMO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001659002667 1196330705 /nfs/dbraw/zinc/33/07/05/1196330705.db2.gz LXZQZWWUXGICPU-INIZCTEOSA-N 1 1 305.418 3.433 20 10 DGCDMO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001659002667 1196330711 /nfs/dbraw/zinc/33/07/11/1196330711.db2.gz LXZQZWWUXGICPU-INIZCTEOSA-N 1 1 305.418 3.433 20 10 DGCDMO CNc1ccccc1C[NH2+]Cc1cccc(Br)c1O ZINC001659106606 1196345211 /nfs/dbraw/zinc/34/52/11/1196345211.db2.gz NWNLLIMQLFAABA-UHFFFAOYSA-N 1 1 321.218 3.486 20 10 DGCDMO CCCN(CC[NH+]1CCCC1)Cc1c(O)ccc(Cl)c1F ZINC001659175655 1196355581 /nfs/dbraw/zinc/35/55/81/1196355581.db2.gz OHBOABSHUBHCQH-UHFFFAOYSA-N 1 1 314.832 3.493 20 10 DGCDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(F)c1O ZINC001659483784 1196387934 /nfs/dbraw/zinc/38/79/34/1196387934.db2.gz MULRTKCFTAWZKS-OCCSQVGLSA-N 1 1 323.408 3.474 20 10 DGCDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(F)c1O ZINC001659483784 1196387937 /nfs/dbraw/zinc/38/79/37/1196387937.db2.gz MULRTKCFTAWZKS-OCCSQVGLSA-N 1 1 323.408 3.474 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC001659498066 1196389062 /nfs/dbraw/zinc/38/90/62/1196389062.db2.gz RRDHYCVULICBBW-ZDUSSCGKSA-N 1 1 306.450 3.251 20 10 DGCDMO CN(c1ccccc1)[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001659748191 1196411083 /nfs/dbraw/zinc/41/10/83/1196411083.db2.gz HECOFSCFRWQEQB-INIZCTEOSA-N 1 1 318.367 3.381 20 10 DGCDMO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001659748191 1196411087 /nfs/dbraw/zinc/41/10/87/1196411087.db2.gz HECOFSCFRWQEQB-INIZCTEOSA-N 1 1 318.367 3.381 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC001659878048 1196424258 /nfs/dbraw/zinc/42/42/58/1196424258.db2.gz MDNTZPIKYJHYAQ-OAHLLOKOSA-N 1 1 313.731 3.147 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC001660007338 1196437200 /nfs/dbraw/zinc/43/72/00/1196437200.db2.gz VVSSJTIIVUDUIS-XJKSGUPXSA-N 1 1 311.372 3.043 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC001660007338 1196437202 /nfs/dbraw/zinc/43/72/02/1196437202.db2.gz VVSSJTIIVUDUIS-XJKSGUPXSA-N 1 1 311.372 3.043 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3[O-])C[C@@H]2C1 ZINC001660892231 1196538713 /nfs/dbraw/zinc/53/87/13/1196538713.db2.gz HYPKSQGEPBRNOZ-DUVNUKRYSA-N 1 1 308.853 3.208 20 10 DGCDMO C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[O-])C[C@@H]2C1 ZINC001660892231 1196538718 /nfs/dbraw/zinc/53/87/18/1196538718.db2.gz HYPKSQGEPBRNOZ-DUVNUKRYSA-N 1 1 308.853 3.208 20 10 DGCDMO CCN1CCN(c2ccc(C[NH2+]CCCC(C)C)cc2F)CC1 ZINC001661314088 1196593080 /nfs/dbraw/zinc/59/30/80/1196593080.db2.gz HAAXIFAKQVLVRU-UHFFFAOYSA-N 1 1 321.484 3.493 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC001662304547 1196705036 /nfs/dbraw/zinc/70/50/36/1196705036.db2.gz RLKXFYOTQRJCLD-CQSZACIVSA-N 1 1 305.324 3.154 20 10 DGCDMO CN(C)c1ccc(C[NH2+]Cc2noc3ccc(F)cc23)cc1F ZINC001663100298 1196791795 /nfs/dbraw/zinc/79/17/95/1196791795.db2.gz VNNYPDYORZHGSG-UHFFFAOYSA-N 1 1 317.339 3.462 20 10 DGCDMO CC1(C)CC[N@H+](CCNCc2ccc(N3CCCC3)cc2)C1 ZINC001663436979 1196868423 /nfs/dbraw/zinc/86/84/23/1196868423.db2.gz DPKKRZAIDNNMIJ-UHFFFAOYSA-N 1 1 301.478 3.108 20 10 DGCDMO CC1(C)CC[N@@H+](CCNCc2ccc(N3CCCC3)cc2)C1 ZINC001663436979 1196868427 /nfs/dbraw/zinc/86/84/27/1196868427.db2.gz DPKKRZAIDNNMIJ-UHFFFAOYSA-N 1 1 301.478 3.108 20 10 DGCDMO C[N@H+](Cc1cc2n(n1)CCC2)Cc1ccc(N2CCCC2)cc1 ZINC001664627155 1197023269 /nfs/dbraw/zinc/02/32/69/1197023269.db2.gz MKVJTZHSCAQGFY-UHFFFAOYSA-N 1 1 310.445 3.062 20 10 DGCDMO C[N@@H+](Cc1cc2n(n1)CCC2)Cc1ccc(N2CCCC2)cc1 ZINC001664627155 1197023271 /nfs/dbraw/zinc/02/32/71/1197023271.db2.gz MKVJTZHSCAQGFY-UHFFFAOYSA-N 1 1 310.445 3.062 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)Cc2ccc(C(N)=O)cc2)c1 ZINC001664630735 1197024388 /nfs/dbraw/zinc/02/43/88/1197024388.db2.gz 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CC[N@H+]1C[C@H]2CN(Cc3cccc(C(C)(C)C)c3O)C[C@H]2C1 ZINC001143116807 1092618339 /nfs/dbraw/zinc/61/83/39/1092618339.db2.gz LEBWYDMHINYZQU-IYBDPMFKSA-N 1 1 302.462 3.073 20 10 DGCDMO CC[N@@H+]1C[C@H]2CN(Cc3cccc(C(C)(C)C)c3O)C[C@H]2C1 ZINC001143116807 1092618344 /nfs/dbraw/zinc/61/83/44/1092618344.db2.gz LEBWYDMHINYZQU-IYBDPMFKSA-N 1 1 302.462 3.073 20 10 DGCDMO CC[NH+]1C[C@H]2CN(Cc3cccc(C(C)(C)C)c3O)C[C@@H]2C1 ZINC001143116805 1092618366 /nfs/dbraw/zinc/61/83/66/1092618366.db2.gz LEBWYDMHINYZQU-HOTGVXAUSA-N 1 1 302.462 3.073 20 10 DGCDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001209516479 1092806205 /nfs/dbraw/zinc/80/62/05/1092806205.db2.gz IBSIDEGAQIDACA-KRWDZBQOSA-N 1 1 312.413 3.089 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1 ZINC001209519652 1092808052 /nfs/dbraw/zinc/80/80/52/1092808052.db2.gz ZUDKWAYXIDZBAY-SFHVURJKSA-N 1 1 302.393 3.000 20 10 DGCDMO CC[NH+]1C[C@@H]2CN(Cc3ccc(-n4c(C)ccc4C)cc3)C[C@H]2C1 ZINC001209520502 1092808081 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CC[N@@H+](Cc1cn2ccccc2n1)Cc1ccc(N(C)C)cc1 ZINC001136882929 1095216589 /nfs/dbraw/zinc/21/65/89/1095216589.db2.gz OZRSDJUYRWQKJK-UHFFFAOYSA-N 1 1 308.429 3.422 20 10 DGCDMO Cc1ccn2c(C[N@@H+]3CCCc4cc(O)c(O)cc4C3)cnc2c1 ZINC001136890899 1095220736 /nfs/dbraw/zinc/22/07/36/1095220736.db2.gz CDZLCHRGGDUOST-UHFFFAOYSA-N 1 1 323.396 3.002 20 10 DGCDMO Cc1ccn2c(C[N@H+]3CCCc4cc(O)c(O)cc4C3)cnc2c1 ZINC001136890899 1095220740 /nfs/dbraw/zinc/22/07/40/1095220740.db2.gz CDZLCHRGGDUOST-UHFFFAOYSA-N 1 1 323.396 3.002 20 10 DGCDMO Cc1cc(CN2CCC[C@@]3(CCC[NH2+]C3)C2)ccc1N(C)C ZINC001222265804 1095521702 /nfs/dbraw/zinc/52/17/02/1095521702.db2.gz ZLRALSOIXQBPPQ-LJQANCHMSA-N 1 1 301.478 3.027 20 10 DGCDMO Cc1cc(C[N@@H+](C)Cc2cnc3ccccn23)ccc1N(C)C ZINC001139670031 1095615286 /nfs/dbraw/zinc/61/52/86/1095615286.db2.gz WBGOFYTWRPYLIJ-UHFFFAOYSA-N 1 1 308.429 3.341 20 10 DGCDMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1c(O)cc(O)cc1O ZINC001144514950 1095701283 /nfs/dbraw/zinc/70/12/83/1095701283.db2.gz 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MFPKZJRYSXGYQN-MRXNPFEDSA-N 1 1 308.466 3.165 20 10 DGCDMO c1cc2c(cc1N1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CCCC1)OCCO2 ZINC001277013829 1096344671 /nfs/dbraw/zinc/34/46/71/1096344671.db2.gz IRCRSFOFWQDNFF-CALCHBBNSA-N 1 1 314.429 3.053 20 10 DGCDMO COc1ccc(N2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)c(C)c1 ZINC001277018082 1096348004 /nfs/dbraw/zinc/34/80/04/1096348004.db2.gz AWSRQNPBEPQGAV-HNAYVOBHSA-N 1 1 300.446 3.457 20 10 DGCDMO COc1ccc(N2CC[C@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H]32)c(C)c1 ZINC001277018975 1096348824 /nfs/dbraw/zinc/34/88/24/1096348824.db2.gz RTRBWSDXRJSFOO-HNAYVOBHSA-N 1 1 311.429 3.042 20 10 DGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000322553609 1096730179 /nfs/dbraw/zinc/73/01/79/1096730179.db2.gz BPUNGLOXQYPGPE-MOTUXRJWSA-N 1 1 300.446 3.464 20 10 DGCDMO COc1ccc(N2CC[NH+](Cc3cccc(C)n3)CC2)c(C)c1 ZINC001204070732 1096940150 /nfs/dbraw/zinc/94/01/50/1096940150.db2.gz NMAXNULOXNUZCI-UHFFFAOYSA-N 1 1 311.429 3.029 20 10 DGCDMO 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CCOc1nccc(C[N@H+]2CCc3cccc(O)c3C2)c1Cl ZINC001250385113 1105507174 /nfs/dbraw/zinc/50/71/74/1105507174.db2.gz ITSYHPJMNYHIPL-UHFFFAOYSA-N 1 1 318.804 3.398 20 10 DGCDMO Cc1cc2nc(-c3ccc(N4CC[NH+](C)CC4)cc3)[nH]c2cc1F ZINC001250773013 1105580535 /nfs/dbraw/zinc/58/05/35/1105580535.db2.gz HLMTZNWPMOHZAR-UHFFFAOYSA-N 1 1 324.403 3.429 20 10 DGCDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001254039865 1106012175 /nfs/dbraw/zinc/01/21/75/1106012175.db2.gz IWPAWDPNBOSHJR-UXHICEINSA-N 1 1 313.489 3.345 20 10 DGCDMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCCC2)cc1 ZINC001254039865 1106012179 /nfs/dbraw/zinc/01/21/79/1106012179.db2.gz IWPAWDPNBOSHJR-UXHICEINSA-N 1 1 313.489 3.345 20 10 DGCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCCC2)cc1 ZINC001254039865 1106012185 /nfs/dbraw/zinc/01/21/85/1106012185.db2.gz IWPAWDPNBOSHJR-UXHICEINSA-N 1 1 313.489 3.345 20 10 DGCDMO Oc1cccc2c1C[N@H+]([C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC001255119414 1106183943 /nfs/dbraw/zinc/18/39/43/1106183943.db2.gz UAOUDPIOEMLGSQ-GOSISDBHSA-N 1 1 308.425 3.025 20 10 DGCDMO Oc1cccc2c1CN([C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001255119414 1106183946 /nfs/dbraw/zinc/18/39/46/1106183946.db2.gz UAOUDPIOEMLGSQ-GOSISDBHSA-N 1 1 308.425 3.025 20 10 DGCDMO Oc1cccc2c1CN([C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001255119414 1106183948 /nfs/dbraw/zinc/18/39/48/1106183948.db2.gz UAOUDPIOEMLGSQ-GOSISDBHSA-N 1 1 308.425 3.025 20 10 DGCDMO CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001255372791 1106234687 /nfs/dbraw/zinc/23/46/87/1106234687.db2.gz ANTVHMKXSOIFKF-SJLPKXTDSA-N 1 1 318.461 3.306 20 10 DGCDMO COc1ccc(N2CC[NH+]([C@@H](C)CC(F)(F)F)CC2)cc1 ZINC001255647579 1106284655 /nfs/dbraw/zinc/28/46/55/1106284655.db2.gz YTJOIWKFVBMOTG-LBPRGKRZSA-N 1 1 302.340 3.158 20 10 DGCDMO CC(C)CC[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001256352549 1106408685 /nfs/dbraw/zinc/40/86/85/1106408685.db2.gz JYXCEXSTDRJYQU-KRWDZBQOSA-N 1 1 303.494 3.353 20 10 DGCDMO Oc1cccc2c1C[N@H+](C1CCN(Cc3ccccc3)CC1)CC2 ZINC001256608599 1106453029 /nfs/dbraw/zinc/45/30/29/1106453029.db2.gz FLACVJOXRBVENZ-UHFFFAOYSA-N 1 1 322.452 3.415 20 10 DGCDMO CCc1[nH+]ccn1Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256951419 1106515454 /nfs/dbraw/zinc/51/54/54/1106515454.db2.gz HTHXGPADOHGYAG-UHFFFAOYSA-N 1 1 319.368 3.335 20 10 DGCDMO CCOC(=O)CC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001258496811 1106779003 /nfs/dbraw/zinc/77/90/03/1106779003.db2.gz VXNWXNYAOHMQSM-MRXNPFEDSA-N 1 1 318.461 3.450 20 10 DGCDMO CC[NH+](CC)C1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC001320716366 1107114595 /nfs/dbraw/zinc/11/45/95/1107114595.db2.gz DLXAXBKOXXHRNN-UHFFFAOYSA-N 1 1 314.832 3.491 20 10 DGCDMO CC[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](O)C(F)(F)F ZINC001320774828 1107133429 /nfs/dbraw/zinc/13/34/29/1107133429.db2.gz IGPWBJNKZUVJQE-HNNXBMFYSA-N 1 1 316.367 3.032 20 10 DGCDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001321026147 1107225244 /nfs/dbraw/zinc/22/52/44/1107225244.db2.gz XMXZRYPCWMZEBO-SFHVURJKSA-N 1 1 324.472 3.400 20 10 DGCDMO COc1ccc(C[N@@H+](C)[C@H]2CC[C@H](SC)C2)c(O)c1OC ZINC001262357188 1107686855 /nfs/dbraw/zinc/68/68/55/1107686855.db2.gz BSCHMLKRCRXYGM-STQMWFEESA-N 1 1 311.447 3.125 20 10 DGCDMO CCOCc1cc(CN[C@H]2CCCC[C@@H]2[NH+](C)C)ccc1OC ZINC001322714453 1107741981 /nfs/dbraw/zinc/74/19/81/1107741981.db2.gz QSWHLIHMPVJDCM-ROUUACIJSA-N 1 1 320.477 3.194 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CCC(CO)CC1 ZINC001323741059 1108073980 /nfs/dbraw/zinc/07/39/80/1108073980.db2.gz RWCQZRSLEHHJKH-UHFFFAOYSA-N 1 1 302.462 3.270 20 10 DGCDMO COC(=O)C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)CC(C)C ZINC001319076162 1108303999 /nfs/dbraw/zinc/30/39/99/1108303999.db2.gz FENXZMKQXZYGQJ-UHFFFAOYSA-N 1 1 323.433 3.026 20 10 DGCDMO COC(=O)C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)CC(C)C ZINC001319076162 1108304014 /nfs/dbraw/zinc/30/40/14/1108304014.db2.gz FENXZMKQXZYGQJ-UHFFFAOYSA-N 1 1 323.433 3.026 20 10 DGCDMO C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC[NH+]1C ZINC001324745708 1108449532 /nfs/dbraw/zinc/44/95/32/1108449532.db2.gz FAKPBHBRIYQZLQ-QFBILLFUSA-N 1 1 301.478 3.201 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCc3ccc(Cl)cc3C1)OCO2 ZINC001319657746 1108580424 /nfs/dbraw/zinc/58/04/24/1108580424.db2.gz YJWVYVDQTSNDHI-UHFFFAOYSA-N 1 1 317.772 3.333 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCc3ccc(Cl)cc3C1)OCO2 ZINC001319657746 1108580434 /nfs/dbraw/zinc/58/04/34/1108580434.db2.gz YJWVYVDQTSNDHI-UHFFFAOYSA-N 1 1 317.772 3.333 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@H]1CN1CCCC1 ZINC001319701438 1108600990 /nfs/dbraw/zinc/60/09/90/1108600990.db2.gz XBDRZIOCLRZPJJ-FQEVSTJZSA-N 1 1 313.489 3.347 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC001319701438 1108600997 /nfs/dbraw/zinc/60/09/97/1108600997.db2.gz XBDRZIOCLRZPJJ-FQEVSTJZSA-N 1 1 313.489 3.347 20 10 DGCDMO CCOc1ccc(C[N@@H+](Cc2ccccc2)[C@H](C)CO)c(O)c1 ZINC001319828226 1108654406 /nfs/dbraw/zinc/65/44/06/1108654406.db2.gz FHNBIBFYNCPKIB-OAHLLOKOSA-N 1 1 315.413 3.174 20 10 DGCDMO CCCC[N@@H+](CCN1C[C@H](C)O[C@@H](C)C1)Cc1ccccc1O ZINC001307722777 1111331745 /nfs/dbraw/zinc/33/17/45/1111331745.db2.gz ZPXBPTJHYNWYFM-IRXDYDNUSA-N 1 1 320.477 3.104 20 10 DGCDMO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001308237744 1111403160 /nfs/dbraw/zinc/40/31/60/1111403160.db2.gz QQZRPIYWKRBMBS-IEBWSBKVSA-N 1 1 315.505 3.354 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+](CC(N)=O)Cc2ccccc2)c1 ZINC001308559817 1111444678 /nfs/dbraw/zinc/44/46/78/1111444678.db2.gz CHWFSDBTIHKMTO-UHFFFAOYSA-N 1 1 312.413 3.003 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@@H+](CC(N)=O)Cc2ccccc2)c1 ZINC001308559817 1111444680 /nfs/dbraw/zinc/44/46/80/1111444680.db2.gz CHWFSDBTIHKMTO-UHFFFAOYSA-N 1 1 312.413 3.003 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2CN2CCCCC2)c1O ZINC001308579206 1111447721 /nfs/dbraw/zinc/44/77/21/1111447721.db2.gz YWMBAEIZJRPJIR-GOSISDBHSA-N 1 1 302.462 3.405 20 10 DGCDMO CCc1cccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1O ZINC001308579206 1111447723 /nfs/dbraw/zinc/44/77/23/1111447723.db2.gz YWMBAEIZJRPJIR-GOSISDBHSA-N 1 1 302.462 3.405 20 10 DGCDMO CCSc1cc(C[NH2+]Cc2cc(F)c(F)cc2O)ccn1 ZINC001308706254 1111463778 /nfs/dbraw/zinc/46/37/78/1111463778.db2.gz KRZIQCCXDMNYPV-UHFFFAOYSA-N 1 1 310.369 3.467 20 10 DGCDMO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1c(C)cc(OC)cc1O ZINC001308844110 1111483311 /nfs/dbraw/zinc/48/33/11/1111483311.db2.gz YAYGVOSDIMGMLT-OAHLLOKOSA-N 1 1 323.433 3.261 20 10 DGCDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1c(C)cc(OC)cc1O ZINC001308844110 1111483314 /nfs/dbraw/zinc/48/33/14/1111483314.db2.gz YAYGVOSDIMGMLT-OAHLLOKOSA-N 1 1 323.433 3.261 20 10 DGCDMO COc1ccc([C@H]2CC[N@@H+](Cc3cccc(OC)c3O)C2)cc1 ZINC000092783464 185341104 /nfs/dbraw/zinc/34/11/04/185341104.db2.gz LTBOUXSJMKWPPG-HNNXBMFYSA-N 1 1 313.397 3.399 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)Cc2cccc(F)c2)cc1OC ZINC000179560847 432062476 /nfs/dbraw/zinc/06/24/76/432062476.db2.gz QPLOEUCCRXGRAJ-UHFFFAOYSA-N 1 1 305.349 3.181 20 10 DGCDMO C[NH+](Cc1ccccc1O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000179573792 432062874 /nfs/dbraw/zinc/06/28/74/432062874.db2.gz YGOILMACGLRJJD-SFHVURJKSA-N 1 1 310.441 3.346 20 10 DGCDMO C[NH+](Cc1ccccc1O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000179573792 432062876 /nfs/dbraw/zinc/06/28/76/432062876.db2.gz YGOILMACGLRJJD-SFHVURJKSA-N 1 1 310.441 3.346 20 10 DGCDMO C[NH+](Cc1ccccc1O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000179573809 432063100 /nfs/dbraw/zinc/06/31/00/432063100.db2.gz YGOILMACGLRJJD-GOSISDBHSA-N 1 1 310.441 3.346 20 10 DGCDMO C[NH+](Cc1ccccc1O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000179573809 432063102 /nfs/dbraw/zinc/06/31/02/432063102.db2.gz YGOILMACGLRJJD-GOSISDBHSA-N 1 1 310.441 3.346 20 10 DGCDMO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccccc2O)C1 ZINC000179564253 432063423 /nfs/dbraw/zinc/06/34/23/432063423.db2.gz MVNYOMITPIQXIU-DLBZAZTESA-N 1 1 302.462 3.479 20 10 DGCDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccccc2O)C1 ZINC000179564253 432063425 /nfs/dbraw/zinc/06/34/25/432063425.db2.gz MVNYOMITPIQXIU-DLBZAZTESA-N 1 1 302.462 3.479 20 10 DGCDMO Cc1c(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)cnn1C ZINC000268942403 432149049 /nfs/dbraw/zinc/14/90/49/432149049.db2.gz SYUYOOFYUSQTRE-UHFFFAOYSA-N 1 1 300.450 3.205 20 10 DGCDMO CCC[N@@H+](Cc1cn(C)nc1C(F)F)Cc1ccccc1O ZINC000274468132 130238136 /nfs/dbraw/zinc/23/81/36/130238136.db2.gz JBPONNLBUOOLCH-UHFFFAOYSA-N 1 1 309.360 3.476 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1C ZINC000284973609 131127405 /nfs/dbraw/zinc/12/74/05/131127405.db2.gz BGVXZOLHVVJXAO-HNNXBMFYSA-N 1 1 317.351 3.288 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1ccc(F)cc1O ZINC000285987334 131214121 /nfs/dbraw/zinc/21/41/21/131214121.db2.gz HYVXNGKZTYYXCL-SJLPKXTDSA-N 1 1 319.376 3.314 20 10 DGCDMO CC[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(F)cc1O ZINC000286136379 131221264 /nfs/dbraw/zinc/22/12/64/131221264.db2.gz OSJHWHUFNLNCAK-HNNXBMFYSA-N 1 1 322.424 3.221 20 10 DGCDMO COc1cc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c(F)cn1 ZINC000287561174 131287475 /nfs/dbraw/zinc/28/74/75/131287475.db2.gz GFCHGJJPQCUBEH-NSHDSACASA-N 1 1 321.371 3.285 20 10 DGCDMO CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1cccc(Cl)c1[O-] ZINC000287899363 131305374 /nfs/dbraw/zinc/30/53/74/131305374.db2.gz ZMPVTFBDSGDCPZ-HNNXBMFYSA-N 1 1 314.857 3.055 20 10 DGCDMO CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000299135743 132090990 /nfs/dbraw/zinc/09/09/90/132090990.db2.gz FYKRZMRZIYDNCW-SFHVURJKSA-N 1 1 324.424 3.015 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](CCCO)Cc2ccccc2)c1 ZINC000093102200 400226042 /nfs/dbraw/zinc/22/60/42/400226042.db2.gz WYHWTCGRNYUEIY-UHFFFAOYSA-N 1 1 315.413 3.176 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(O)c1 ZINC000093585848 400250023 /nfs/dbraw/zinc/25/00/23/400250023.db2.gz UEOLBHNXZRYZMN-APWZRJJASA-N 1 1 319.445 3.308 20 10 DGCDMO COc1cc(O)c(C[N@@H+](Cc2ccco2)C(C)C)cc1OC ZINC000271080390 286238971 /nfs/dbraw/zinc/23/89/71/286238971.db2.gz INTZIRQTYOGWOZ-UHFFFAOYSA-N 1 1 305.374 3.413 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1n1ccnc1 ZINC000246773554 432165421 /nfs/dbraw/zinc/16/54/21/432165421.db2.gz PZHIOQPXSALXDU-IUODEOHRSA-N 1 1 305.809 3.325 20 10 DGCDMO Cc1noc(CCC[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000269441025 432174282 /nfs/dbraw/zinc/17/42/82/432174282.db2.gz DOFPOMJYYOQZEG-UHFFFAOYSA-N 1 1 316.449 3.287 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1C ZINC000182093761 228365860 /nfs/dbraw/zinc/36/58/60/228365860.db2.gz CLMPTIMPKHINCH-INIZCTEOSA-N 1 1 313.445 3.197 20 10 DGCDMO Oc1ccc(Cl)c(F)c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000191389786 432261018 /nfs/dbraw/zinc/26/10/18/432261018.db2.gz IRKKYLMLLRCUKV-LBPRGKRZSA-N 1 1 312.816 3.102 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CCCCC1 ZINC000076074237 276002836 /nfs/dbraw/zinc/00/28/36/276002836.db2.gz LIMHURPOIQMMJB-OAHLLOKOSA-N 1 1 304.434 3.005 20 10 DGCDMO CCOc1cccc(CNCCC[NH+]2CCC(C)CC2)c1O ZINC000074336508 431414252 /nfs/dbraw/zinc/41/42/52/431414252.db2.gz CYEKJXZHOVCTBH-UHFFFAOYSA-N 1 1 306.450 3.003 20 10 DGCDMO C[N@@H+](Cc1ccsc1)Cc1ccc(N2CCOCC2)cc1 ZINC000120467755 431727172 /nfs/dbraw/zinc/72/71/72/431727172.db2.gz WYZXXMNZMIGJSC-UHFFFAOYSA-N 1 1 302.443 3.217 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000092756251 431910736 /nfs/dbraw/zinc/91/07/36/431910736.db2.gz ALIZMJQQQDARSO-HXUWFJFHSA-N 1 1 313.489 3.347 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000092756251 431910738 /nfs/dbraw/zinc/91/07/38/431910738.db2.gz ALIZMJQQQDARSO-HXUWFJFHSA-N 1 1 313.489 3.347 20 10 DGCDMO COc1cccc(C[N@@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)c1O ZINC000093660726 431917280 /nfs/dbraw/zinc/91/72/80/431917280.db2.gz OTYIEMASGWWVBW-PBHICJAKSA-N 1 1 313.397 3.363 20 10 DGCDMO COc1cccc(C[N@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)c1O ZINC000093660726 431917282 /nfs/dbraw/zinc/91/72/82/431917282.db2.gz OTYIEMASGWWVBW-PBHICJAKSA-N 1 1 313.397 3.363 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2c(O)cccc2Cl)ccc1O ZINC000271031127 432318188 /nfs/dbraw/zinc/31/81/88/432318188.db2.gz GVCQKTBIOXPEBB-UHFFFAOYSA-N 1 1 307.777 3.392 20 10 DGCDMO 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CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1[O-] ZINC000852760006 620646645 /nfs/dbraw/zinc/64/66/45/620646645.db2.gz TUFDAKUOFYUBJN-SJKOYZFVSA-N 1 1 322.424 3.073 20 10 DGCDMO CCCCCNC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075358 620654952 /nfs/dbraw/zinc/65/49/52/620654952.db2.gz UBYXANBYAXKNKU-UHFFFAOYSA-N 1 1 319.493 3.269 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CN1CCSC1=S ZINC000917411057 620668555 /nfs/dbraw/zinc/66/85/55/620668555.db2.gz IGRZXNPESJMOSK-UHFFFAOYSA-N 1 1 323.531 3.254 20 10 DGCDMO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000853576681 620711480 /nfs/dbraw/zinc/71/14/80/620711480.db2.gz DVNAFTPVVFQWFV-AWEZNQCLSA-N 1 1 312.413 3.474 20 10 DGCDMO CCCCCC[N@@H+](C)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000111608341 620741004 /nfs/dbraw/zinc/74/10/04/620741004.db2.gz GRJCTEGBRYNFEJ-CQSZACIVSA-N 1 1 322.449 3.090 20 10 DGCDMO COc1ccccc1C[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891471495 617809626 /nfs/dbraw/zinc/80/96/26/617809626.db2.gz VDKNGURJNSLIRX-UHFFFAOYSA-N 1 1 317.385 3.050 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2O)c1 ZINC000891470253 617810319 /nfs/dbraw/zinc/81/03/19/617810319.db2.gz LKJVFRIJEGFTEV-UHFFFAOYSA-N 1 1 317.385 3.050 20 10 DGCDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccn2C)c(O)c1OC ZINC000891503771 617817996 /nfs/dbraw/zinc/81/79/96/617817996.db2.gz WEIBXMOFYWCQNY-OAHLLOKOSA-N 1 1 316.401 3.085 20 10 DGCDMO CCn1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c(C)n1 ZINC000891596119 617846571 /nfs/dbraw/zinc/84/65/71/617846571.db2.gz LSIMXARZGNENFM-UHFFFAOYSA-N 1 1 312.461 3.442 20 10 DGCDMO COc1ccc(C[N@@H+](Cc2ccccn2)C(C)C)c(O)c1OC ZINC000891743465 617887311 /nfs/dbraw/zinc/88/73/11/617887311.db2.gz DONQNERLXJPXJR-UHFFFAOYSA-N 1 1 316.401 3.215 20 10 DGCDMO CCC[N@H+](Cc1c(Cl)c(C)nn1C)Cc1ccccc1O ZINC000891853169 617912335 /nfs/dbraw/zinc/91/23/35/617912335.db2.gz CZFQFTSIOOASJX-UHFFFAOYSA-N 1 1 307.825 3.500 20 10 DGCDMO CCC[N@@H+](Cc1c(Cl)c(C)nn1C)Cc1ccccc1O ZINC000891853169 617912338 /nfs/dbraw/zinc/91/23/38/617912338.db2.gz CZFQFTSIOOASJX-UHFFFAOYSA-N 1 1 307.825 3.500 20 10 DGCDMO COc1ccc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c(O)c1OC ZINC000892133336 617971513 /nfs/dbraw/zinc/97/15/13/617971513.db2.gz NXFBONUMDHYJAL-OAHLLOKOSA-N 1 1 317.360 3.496 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)c(O)c1OC ZINC000892133336 617971514 /nfs/dbraw/zinc/97/15/14/617971514.db2.gz NXFBONUMDHYJAL-OAHLLOKOSA-N 1 1 317.360 3.496 20 10 DGCDMO COc1ccc(C[NH2+][C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000920182835 620788882 /nfs/dbraw/zinc/78/88/82/620788882.db2.gz ZOCPVMZPGRCLAU-BFYDXBDKSA-N 1 1 304.478 3.460 20 10 DGCDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000920258067 620793084 /nfs/dbraw/zinc/79/30/84/620793084.db2.gz GLCBVKLWUHFVEL-NJAFHUGGSA-N 1 1 316.445 3.059 20 10 DGCDMO COc1cc(C)cc(CNCC[C@H](C)[NH+]2CCCCC2)c1O ZINC000894445930 618335917 /nfs/dbraw/zinc/33/59/17/618335917.db2.gz QXBCKVSYLASNOI-HNNXBMFYSA-N 1 1 306.450 3.063 20 10 DGCDMO COc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c(O)c1OC ZINC000894735450 618440088 /nfs/dbraw/zinc/44/00/88/618440088.db2.gz JMRXNFYJRLVVDH-HOCLYGCPSA-N 1 1 303.402 3.030 20 10 DGCDMO COc1ccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c(O)c1OC ZINC000894735448 618440222 /nfs/dbraw/zinc/44/02/22/618440222.db2.gz JMRXNFYJRLVVDH-GDBMZVCRSA-N 1 1 303.402 3.030 20 10 DGCDMO COc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c(O)c1OC ZINC000894735449 618440493 /nfs/dbraw/zinc/44/04/93/618440493.db2.gz JMRXNFYJRLVVDH-GOEBONIOSA-N 1 1 303.402 3.030 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000894862851 618482541 /nfs/dbraw/zinc/48/25/41/618482541.db2.gz IYYYQWODHPMBMB-INIZCTEOSA-N 1 1 309.356 3.061 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000894862851 618482543 /nfs/dbraw/zinc/48/25/43/618482543.db2.gz IYYYQWODHPMBMB-INIZCTEOSA-N 1 1 309.356 3.061 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@@H](C3CCCC3)C2)c(O)c1OC ZINC000894972831 618504373 /nfs/dbraw/zinc/50/43/73/618504373.db2.gz GGVMUXJVKCHGFN-CQSZACIVSA-N 1 1 305.418 3.422 20 10 DGCDMO Oc1c(F)cc(F)cc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000893919470 618675919 /nfs/dbraw/zinc/67/59/19/618675919.db2.gz JUSREUQTOFGMAJ-UHFFFAOYSA-N 1 1 310.388 3.121 20 10 DGCDMO CCCN1CCC([N@H+](C)Cc2cc(C)cc(OC)c2O)CC1 ZINC000893967522 618684902 /nfs/dbraw/zinc/68/49/02/618684902.db2.gz NRGUCDNNAXYGMM-UHFFFAOYSA-N 1 1 306.450 3.015 20 10 DGCDMO CCCN1CCC([N@@H+](C)Cc2cc(C)cc(OC)c2O)CC1 ZINC000893967522 618684904 /nfs/dbraw/zinc/68/49/04/618684904.db2.gz NRGUCDNNAXYGMM-UHFFFAOYSA-N 1 1 306.450 3.015 20 10 DGCDMO COc1cc(C)cc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c1O ZINC000893995881 618689049 /nfs/dbraw/zinc/68/90/49/618689049.db2.gz VEKOJWFVVYKLCD-OAHLLOKOSA-N 1 1 315.413 3.092 20 10 DGCDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(F)cc(F)c1[O-] ZINC000894068185 618703885 /nfs/dbraw/zinc/70/38/85/618703885.db2.gz QVJCTFFNTRETHT-UHFFFAOYSA-N 1 1 311.328 3.220 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000894096676 618709405 /nfs/dbraw/zinc/70/94/05/618709405.db2.gz WEBMHVWOZDPGJI-UKRRQHHQSA-N 1 1 323.339 3.352 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000894096676 618709406 /nfs/dbraw/zinc/70/94/06/618709406.db2.gz WEBMHVWOZDPGJI-UKRRQHHQSA-N 1 1 323.339 3.352 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000895842611 618837819 /nfs/dbraw/zinc/83/78/19/618837819.db2.gz ICZHRNQUDZEYTO-ONFZBDQASA-N 1 1 300.446 3.267 20 10 DGCDMO C[N@@H+](CCCF)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000895898552 618847172 /nfs/dbraw/zinc/84/71/72/618847172.db2.gz XEBMRXIPUAZSCR-UHFFFAOYSA-N 1 1 309.385 3.377 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c1 ZINC000896223100 618885770 /nfs/dbraw/zinc/88/57/70/618885770.db2.gz MZJUNCTWJLRBBN-QUCCMNQESA-N 1 1 309.409 3.101 20 10 DGCDMO Cn1ccc([C@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000896490275 618917831 /nfs/dbraw/zinc/91/78/31/618917831.db2.gz RIUUBHNIQPFBDD-NSHDSACASA-N 1 1 323.799 3.298 20 10 DGCDMO Cn1ccc([C@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC000896490275 618917833 /nfs/dbraw/zinc/91/78/33/618917833.db2.gz RIUUBHNIQPFBDD-NSHDSACASA-N 1 1 323.799 3.298 20 10 DGCDMO COC[C@H](C)Oc1ccc(C[NH2+]Cc2c(O)cccc2F)cc1 ZINC000896638044 618939669 /nfs/dbraw/zinc/93/96/69/618939669.db2.gz NSPBXZROWFYUFD-ZDUSSCGKSA-N 1 1 319.376 3.235 20 10 DGCDMO CCOP(=O)(CCC[NH2+]Cc1c(O)cccc1F)OCC ZINC000896638360 618939840 /nfs/dbraw/zinc/93/98/40/618939840.db2.gz PFMAVEKREDJFSL-UHFFFAOYSA-N 1 1 319.313 3.277 20 10 DGCDMO COc1ccc(C[NH2+]Cc2c(O)cccc2F)c(C)c1OC ZINC000896637729 618939857 /nfs/dbraw/zinc/93/98/57/618939857.db2.gz LQRSVBIBKXWYOK-UHFFFAOYSA-N 1 1 305.349 3.147 20 10 DGCDMO Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2c(O)cccc2F)c1 ZINC000896637369 618939875 /nfs/dbraw/zinc/93/98/75/618939875.db2.gz MSFWUWCXGPZKCN-ZDUSSCGKSA-N 1 1 316.376 3.347 20 10 DGCDMO Oc1ccccc1C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615774 619167253 /nfs/dbraw/zinc/16/72/53/619167253.db2.gz FAENBQMGMPTQHS-GFCCVEGCSA-N 1 1 323.318 3.191 20 10 DGCDMO Cc1ccoc1CNC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898449657 619276140 /nfs/dbraw/zinc/27/61/40/619276140.db2.gz IPVOFTOKXPFPLU-KRWDZBQOSA-N 1 1 301.434 3.047 20 10 DGCDMO C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccn1 ZINC000898449659 619276203 /nfs/dbraw/zinc/27/62/03/619276203.db2.gz IQJNPURZZTXIRE-BEFAXECRSA-N 1 1 312.461 3.101 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000898516054 619283023 /nfs/dbraw/zinc/28/30/23/619283023.db2.gz KRQPILBXSQNBIR-HOTGVXAUSA-N 1 1 319.445 3.430 20 10 DGCDMO C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000902450802 619639935 /nfs/dbraw/zinc/63/99/35/619639935.db2.gz UMIZMNYLNRUNIB-GZMMTYOYSA-N 1 1 303.233 3.348 20 10 DGCDMO O=C(/C=C/c1cccnc1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000902699814 619663272 /nfs/dbraw/zinc/66/32/72/619663272.db2.gz SWMZVIZSZZCIDC-BBVFFXRHSA-N 1 1 319.408 3.106 20 10 DGCDMO O=C(/C=C\c1cccnc1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000902699815 619663316 /nfs/dbraw/zinc/66/33/16/619663316.db2.gz SWMZVIZSZZCIDC-HJCTWCACSA-N 1 1 319.408 3.106 20 10 DGCDMO Cc1cc(C[NH2+][C@@H](C)c2cn(C)nn2)c(C)n1-c1cccc(C)c1 ZINC000903069038 619714468 /nfs/dbraw/zinc/71/44/68/619714468.db2.gz BGCKAYDZLGPXEV-HNNXBMFYSA-N 1 1 323.444 3.382 20 10 DGCDMO CCN(C(=O)C[NH2+][C@@H](C)c1c(O)cccc1F)c1ccccc1 ZINC000903194562 619734045 /nfs/dbraw/zinc/73/40/45/619734045.db2.gz FFPNTNIROSKJIS-ZDUSSCGKSA-N 1 1 316.376 3.235 20 10 DGCDMO C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cccc(C(F)(F)F)c1O ZINC000903408852 619772025 /nfs/dbraw/zinc/77/20/25/619772025.db2.gz URFYHRVUKCIGKJ-RNCFNFMXSA-N 1 1 303.324 3.223 20 10 DGCDMO Cc1cc([C@@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000903449642 619778574 /nfs/dbraw/zinc/77/85/74/619778574.db2.gz YYANMBCZEXWNKR-KDOFPFPSSA-N 1 1 316.449 3.003 20 10 DGCDMO Cc1cc([C@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000903449643 619778713 /nfs/dbraw/zinc/77/87/13/619778713.db2.gz YYANMBCZEXWNKR-KSSFIOAISA-N 1 1 316.449 3.003 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](C3OCCO3)C2)c(O)c(C(C)(C)C)c1 ZINC000905695316 620020832 /nfs/dbraw/zinc/02/08/32/620020832.db2.gz NLVRCBNRLMUXHF-AWEZNQCLSA-N 1 1 319.445 3.193 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@H](C)CC3)c2c1 ZINC000905740042 620024808 /nfs/dbraw/zinc/02/48/08/620024808.db2.gz PXTAFNOMZOIFLM-CYBMUJFWSA-N 1 1 301.386 3.165 20 10 DGCDMO Cn1nccc1[C@@H]1CCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000905741180 620024999 /nfs/dbraw/zinc/02/49/99/620024999.db2.gz LWBOOMQQFFFHSC-KRWDZBQOSA-N 1 1 308.385 3.011 20 10 DGCDMO CCC[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000152495390 620509690 /nfs/dbraw/zinc/50/96/90/620509690.db2.gz LHKUQSHTFTXXES-HNNXBMFYSA-N 1 1 307.434 3.396 20 10 DGCDMO CCC[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000152495390 620509691 /nfs/dbraw/zinc/50/96/91/620509691.db2.gz LHKUQSHTFTXXES-HNNXBMFYSA-N 1 1 307.434 3.396 20 10 DGCDMO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)[nH]1 ZINC000922053343 620983863 /nfs/dbraw/zinc/98/38/63/620983863.db2.gz GJXNAAJGBVLXCE-CHWSQXEVSA-N 1 1 314.433 3.494 20 10 DGCDMO CN(C)c1ccnc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c1 ZINC000922480777 621042243 /nfs/dbraw/zinc/04/22/43/621042243.db2.gz LZSMQOLWFRYNBK-UHFFFAOYSA-N 1 1 324.472 3.428 20 10 DGCDMO COC(C)(C)[C@H](C)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000922582046 621061180 /nfs/dbraw/zinc/06/11/80/621061180.db2.gz RWRBNVSQOLGSIC-JTQLQIEISA-N 1 1 316.239 3.366 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857868854 621125710 /nfs/dbraw/zinc/12/57/10/621125710.db2.gz DXXIYUIJDWXHOL-KDOFPFPSSA-N 1 1 312.461 3.382 20 10 DGCDMO CCc1onc(C)c1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000922982841 621141844 /nfs/dbraw/zinc/14/18/44/621141844.db2.gz VZAXXTYTJHVGLH-UHFFFAOYSA-N 1 1 309.360 3.179 20 10 DGCDMO CN(C)c1cc(F)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000858100375 621152763 /nfs/dbraw/zinc/15/27/63/621152763.db2.gz FPGATYQQTOTQKF-UHFFFAOYSA-N 1 1 321.327 3.229 20 10 DGCDMO Cc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)nc1C ZINC000858178379 621162135 /nfs/dbraw/zinc/16/21/35/621162135.db2.gz WDKABUZDGHATFV-UHFFFAOYSA-N 1 1 305.372 3.332 20 10 DGCDMO CN(C)c1cc(F)c(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000858185930 621162437 /nfs/dbraw/zinc/16/24/37/621162437.db2.gz KGQFVGNTADDWDV-SJORKVTESA-N 1 1 323.431 3.137 20 10 DGCDMO CN(C)c1cc(F)c(CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC000858185930 621162439 /nfs/dbraw/zinc/16/24/39/621162439.db2.gz KGQFVGNTADDWDV-SJORKVTESA-N 1 1 323.431 3.137 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000858232520 621166883 /nfs/dbraw/zinc/16/68/83/621166883.db2.gz ZVNUOIKFILEHQG-VIFPVBQESA-N 1 1 322.758 3.004 20 10 DGCDMO CN(C)c1cc(F)c(CNC[C@@H]2CC[N@H+]2C2CCCC2)cc1F ZINC000858285019 621171522 /nfs/dbraw/zinc/17/15/22/621171522.db2.gz GVQRAKAZSLGERC-HNNXBMFYSA-N 1 1 323.431 3.137 20 10 DGCDMO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCN2C2CCCC2)cc1F ZINC000858285019 621171523 /nfs/dbraw/zinc/17/15/23/621171523.db2.gz GVQRAKAZSLGERC-HNNXBMFYSA-N 1 1 323.431 3.137 20 10 DGCDMO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788591881 621201961 /nfs/dbraw/zinc/20/19/61/621201961.db2.gz JHRBZVMKKYTZGJ-HZMBPMFUSA-N 1 1 305.340 3.469 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccns2)c1 ZINC000858577051 621206369 /nfs/dbraw/zinc/20/63/69/621206369.db2.gz OIRPFNXGDPJSKS-NXEZZACHSA-N 1 1 306.387 3.047 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)cc1C ZINC000103134316 621264493 /nfs/dbraw/zinc/26/44/93/621264493.db2.gz GYDDNNBFUBBWEI-UHFFFAOYSA-N 1 1 315.369 3.070 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C3(C4CCC4)CCC3)cc2)CC1 ZINC000839186145 621345212 /nfs/dbraw/zinc/34/52/12/621345212.db2.gz JAJSRZRVOWCEFN-UHFFFAOYSA-N 1 1 313.489 3.251 20 10 DGCDMO CC(C)[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC000839513442 621380468 /nfs/dbraw/zinc/38/04/68/621380468.db2.gz YXEZHYZGRWTQAU-UHFFFAOYSA-N 1 1 317.477 3.022 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1F ZINC000862253102 621568235 /nfs/dbraw/zinc/56/82/35/621568235.db2.gz IQZWHLUSIDGSKW-ZIAGYGMSSA-N 1 1 324.415 3.279 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cc1F ZINC000862300425 621573022 /nfs/dbraw/zinc/57/30/22/621573022.db2.gz PBQUXVJSQSOTEH-PXAZEXFGSA-N 1 1 312.404 3.014 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1F ZINC000862300426 621573082 /nfs/dbraw/zinc/57/30/82/621573082.db2.gz PBQUXVJSQSOTEH-SJCJKPOMSA-N 1 1 312.404 3.014 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1F ZINC000862353808 621576917 /nfs/dbraw/zinc/57/69/17/621576917.db2.gz AREALQKRLGIMKS-CYBMUJFWSA-N 1 1 317.383 3.415 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(F)cc2)c1 ZINC000756340541 621629199 /nfs/dbraw/zinc/62/91/99/621629199.db2.gz IXCXGZAWAGHKFE-GFCCVEGCSA-N 1 1 317.360 3.211 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1O ZINC000756344181 621629554 /nfs/dbraw/zinc/62/95/54/621629554.db2.gz RPRBBTGQZMJEMQ-VIFPVBQESA-N 1 1 307.296 3.250 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCc2ccccc2)c1 ZINC000756344420 621629602 /nfs/dbraw/zinc/62/96/02/621629602.db2.gz QSRVBMALHUEWRI-CQSZACIVSA-N 1 1 313.397 3.462 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(F)c(C)c2)c1 ZINC000756367171 621631851 /nfs/dbraw/zinc/63/18/51/621631851.db2.gz XFUMYAFHNZTNKU-LBPRGKRZSA-N 1 1 317.360 3.477 20 10 DGCDMO COc1cccc(CC[NH2+][C@H](C)c2ccc(F)cc2O)c1OC ZINC000756422923 621637701 /nfs/dbraw/zinc/63/77/01/621637701.db2.gz OGPWXAVQUQWWOJ-GFCCVEGCSA-N 1 1 319.376 3.442 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1cc(F)cc(F)c1O ZINC000756494844 621642111 /nfs/dbraw/zinc/64/21/11/621642111.db2.gz OLZTTZMUSCQSBH-MFKMUULPSA-N 1 1 305.324 3.325 20 10 DGCDMO CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756545725 621646547 /nfs/dbraw/zinc/64/65/47/621646547.db2.gz OWFDCATVSIKMCA-CHWSQXEVSA-N 1 1 312.404 3.441 20 10 DGCDMO CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000756545728 621646565 /nfs/dbraw/zinc/64/65/65/621646565.db2.gz OWFDCATVSIKMCA-OLZOCXBDSA-N 1 1 312.404 3.441 20 10 DGCDMO C[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccc(F)cc1O ZINC000756561749 621649188 /nfs/dbraw/zinc/64/91/88/621649188.db2.gz HQGDEZHMVSVLLW-YJYMSZOUSA-N 1 1 315.388 3.406 20 10 DGCDMO CCC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756578003 621650653 /nfs/dbraw/zinc/65/06/53/621650653.db2.gz UQHLDGIBLCRITA-IUCAKERBSA-N 1 1 320.202 3.105 20 10 DGCDMO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(F)cc1O ZINC000756585314 621651271 /nfs/dbraw/zinc/65/12/71/621651271.db2.gz JNPLAAWIJWQUGM-BMIGLBTASA-N 1 1 301.365 3.358 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c1 ZINC000756601839 621652089 /nfs/dbraw/zinc/65/20/89/621652089.db2.gz BKEBAQVEWHUBEJ-SCLBCKFNSA-N 1 1 323.433 3.017 20 10 DGCDMO C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cc(F)cc(F)c1O ZINC000756713036 621659935 /nfs/dbraw/zinc/65/99/35/621659935.db2.gz SNGYICKWAUVLAZ-VFZGTOFNSA-N 1 1 311.303 3.194 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(C3CC3)CCC2)c1 ZINC000756767937 621663330 /nfs/dbraw/zinc/66/33/30/621663330.db2.gz HGAORPGAMNUUPY-GFCCVEGCSA-N 1 1 303.402 3.410 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1C ZINC000756912877 621672366 /nfs/dbraw/zinc/67/23/66/621672366.db2.gz IIFJTNFWGZKQAE-UHFFFAOYSA-N 1 1 312.369 3.476 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1O ZINC000756910234 621672437 /nfs/dbraw/zinc/67/24/37/621672437.db2.gz DACVFFJPLURMSQ-UHFFFAOYSA-N 1 1 301.308 3.404 20 10 DGCDMO COc1ccc(C[NH+](C)C)cc1NCc1ccc(F)c(F)c1O ZINC000864025631 621728888 /nfs/dbraw/zinc/72/88/88/621728888.db2.gz NCVFYPFTZJLDKO-UHFFFAOYSA-N 1 1 322.355 3.353 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCCS2)c1 ZINC000757659773 621732178 /nfs/dbraw/zinc/73/21/78/621732178.db2.gz ZJGGVUCOAFGFFP-DGCLKSJQSA-N 1 1 309.431 3.115 20 10 DGCDMO CC(C)OCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000757688406 621733805 /nfs/dbraw/zinc/73/38/05/621733805.db2.gz YXTMBSQVQAVVDI-SECBINFHSA-N 1 1 320.202 3.369 20 10 DGCDMO CC(C)(C)c1nnc(C[NH2+]Cc2cc(Cl)ccc2O)s1 ZINC000758488255 621784619 /nfs/dbraw/zinc/78/46/19/621784619.db2.gz MQXBZQXDIADQML-UHFFFAOYSA-N 1 1 311.838 3.484 20 10 DGCDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000759157656 621830271 /nfs/dbraw/zinc/83/02/71/621830271.db2.gz GEDGRDNFGYZBCY-GOSISDBHSA-N 1 1 311.429 3.260 20 10 DGCDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1c(O)cccc1OC ZINC000789584022 625530111 /nfs/dbraw/zinc/53/01/11/625530111.db2.gz BJBSZTKWOCCTJW-INIZCTEOSA-N 1 1 315.413 3.090 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000865690138 621978317 /nfs/dbraw/zinc/97/83/17/621978317.db2.gz WERYCQCSIZZWTI-OUJBWJOFSA-N 1 1 314.223 3.119 20 10 DGCDMO Cc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)nc1 ZINC000121044976 622114763 /nfs/dbraw/zinc/11/47/63/622114763.db2.gz MPTHIIFUJGKZRW-GOSISDBHSA-N 1 1 312.413 3.277 20 10 DGCDMO C[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1O)CC1(C)OCCO1 ZINC000866427020 622116693 /nfs/dbraw/zinc/11/66/93/622116693.db2.gz GWNDAMQUVFWDAG-VXGBXAGGSA-N 1 1 313.825 3.485 20 10 DGCDMO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cccc(C(F)(F)F)c1O ZINC000866442257 622118624 /nfs/dbraw/zinc/11/86/24/622118624.db2.gz HYGCRZWVGNZEBW-GMSGAONNSA-N 1 1 313.266 3.078 20 10 DGCDMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000763646217 622156670 /nfs/dbraw/zinc/15/66/70/622156670.db2.gz KUJQYLRPJYZVEN-HNNXBMFYSA-N 1 1 318.436 3.427 20 10 DGCDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)C(C)C)cc2F)CC1 ZINC000765850721 622291304 /nfs/dbraw/zinc/29/13/04/622291304.db2.gz ARVDPEKSXXHIIM-HNNXBMFYSA-N 1 1 307.457 3.102 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnn(C)c2C)cc1 ZINC000766010586 622300185 /nfs/dbraw/zinc/30/01/85/622300185.db2.gz XBQJLQLJWNLTSP-UHFFFAOYSA-N 1 1 300.450 3.207 20 10 DGCDMO Cc1cc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)nn1C ZINC000767887680 622426086 /nfs/dbraw/zinc/42/60/86/622426086.db2.gz LHPOKLBQRQULFQ-UHFFFAOYSA-N 1 1 312.461 3.351 20 10 DGCDMO Cc1cc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)nn1C ZINC000767887680 622426087 /nfs/dbraw/zinc/42/60/87/622426087.db2.gz LHPOKLBQRQULFQ-UHFFFAOYSA-N 1 1 312.461 3.351 20 10 DGCDMO CCOc1ccc(C[N@@H+](CCOC)Cc2ccccc2)c(O)c1 ZINC000768161282 622442803 /nfs/dbraw/zinc/44/28/03/622442803.db2.gz UXHFMMIXKNYKFM-UHFFFAOYSA-N 1 1 315.413 3.440 20 10 DGCDMO Cn1cc(C[N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)cn1 ZINC000768198456 622444867 /nfs/dbraw/zinc/44/48/67/622444867.db2.gz AZONYNZXXQTEOE-UHFFFAOYSA-N 1 1 307.397 3.425 20 10 DGCDMO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(C)ccc1O ZINC000768420498 622454986 /nfs/dbraw/zinc/45/49/86/622454986.db2.gz GJVUOISRGNIRNH-UHFFFAOYSA-N 1 1 313.397 3.266 20 10 DGCDMO CNC(=O)c1ccc(C[N@@H+](Cc2cc(C)ccc2O)C2CC2)cc1 ZINC000768420582 622455120 /nfs/dbraw/zinc/45/51/20/622455120.db2.gz CNKKLMQOFWHGMF-UHFFFAOYSA-N 1 1 324.424 3.225 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2cc(OC)c(C)cc2O)c1 ZINC000768438349 622455631 /nfs/dbraw/zinc/45/56/31/622455631.db2.gz RMIPHXOCAWUHMA-UHFFFAOYSA-N 1 1 301.386 3.350 20 10 DGCDMO CC(C)C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CCCC1 ZINC000768439827 622456008 /nfs/dbraw/zinc/45/60/08/622456008.db2.gz KXNJRGHLFQNXLE-KRWDZBQOSA-N 1 1 305.418 3.219 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]2CCCC[C@@H]12 ZINC000768439151 622456096 /nfs/dbraw/zinc/45/60/96/622456096.db2.gz ILEWYCVLSXVEGR-XJOINEQPSA-N 1 1 317.429 3.219 20 10 DGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(OC)c(C)cc2O)C1(C)C ZINC000768445642 622456952 /nfs/dbraw/zinc/45/69/52/622456952.db2.gz HXFALVAPFCUJGB-DLBZAZTESA-N 1 1 307.434 3.345 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+](CC1CC1)C1CCCCC1)[C@H](O)CO2 ZINC000768448557 622457120 /nfs/dbraw/zinc/45/71/20/622457120.db2.gz CVNSNVUDMHBIJF-GOSISDBHSA-N 1 1 317.429 3.363 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H]2c2cn(C)nc2C)c(O)cc1C ZINC000768462749 622458265 /nfs/dbraw/zinc/45/82/65/622458265.db2.gz DEFVPYFZCKZRPP-INIZCTEOSA-N 1 1 315.417 3.088 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]3COCC[C@@H]31)CCCC2 ZINC000768462617 622458328 /nfs/dbraw/zinc/45/83/28/622458328.db2.gz ANSFZJFHZJOIAK-WMZOPIPTSA-N 1 1 301.430 3.272 20 10 DGCDMO COc1cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c(O)cc1C ZINC000768466246 622458838 /nfs/dbraw/zinc/45/88/38/622458838.db2.gz WMIWUNCSPUUWNB-UHFFFAOYSA-N 1 1 301.308 3.404 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)no2)c(O)c1 ZINC000768878272 622482802 /nfs/dbraw/zinc/48/28/02/622482802.db2.gz LCZVSQPIAUNZNO-HNNXBMFYSA-N 1 1 302.374 3.424 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+](Cc2ccccc2)C[C@H](C)O)c1 ZINC000768891170 622483766 /nfs/dbraw/zinc/48/37/66/622483766.db2.gz BNKRHGUGCVICRL-HNNXBMFYSA-N 1 1 315.413 3.174 20 10 DGCDMO CCOc1cccc(C[N@H+](Cc2ccccc2)C[C@H](C)O)c1O ZINC000768893949 622483917 /nfs/dbraw/zinc/48/39/17/622483917.db2.gz WHHIGSQRGBXWJG-HNNXBMFYSA-N 1 1 315.413 3.174 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCC[C@H]2CN2CCCCC2)c(O)c1 ZINC000768936445 622486561 /nfs/dbraw/zinc/48/65/61/622486561.db2.gz DEBVAHXTRPBUBC-KRWDZBQOSA-N 1 1 318.461 3.241 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@H]2CN2CCCCC2)c(O)c1 ZINC000768936445 622486563 /nfs/dbraw/zinc/48/65/63/622486563.db2.gz DEBVAHXTRPBUBC-KRWDZBQOSA-N 1 1 318.461 3.241 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000769107124 622499076 /nfs/dbraw/zinc/49/90/76/622499076.db2.gz UDNLVSKWOBVIRU-IFXJQAMLSA-N 1 1 313.397 3.363 20 10 DGCDMO CCOC(=O)CC[N@H+](Cc1cc(Cl)ccc1O)CC1CC1 ZINC000769122535 622500549 /nfs/dbraw/zinc/50/05/49/622500549.db2.gz PNXJSSQCZCWXMH-UHFFFAOYSA-N 1 1 311.809 3.211 20 10 DGCDMO CCOC(=O)CC[N@H+](Cc1c(O)cccc1Cl)CC1CC1 ZINC000769122063 622500644 /nfs/dbraw/zinc/50/06/44/622500644.db2.gz KSYFKTUSISQFDA-UHFFFAOYSA-N 1 1 311.809 3.211 20 10 DGCDMO CN(C)c1ccc(CN2CCC[N@H+](C3CCCC3)CC2)cc1F ZINC000769209193 622507874 /nfs/dbraw/zinc/50/78/74/622507874.db2.gz QTTFXUJITOUCEQ-UHFFFAOYSA-N 1 1 319.468 3.342 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2c(O)cccc2OC)cc1C ZINC000769231729 622509617 /nfs/dbraw/zinc/50/96/17/622509617.db2.gz CVTDJDJUEMQUPR-UHFFFAOYSA-N 1 1 301.386 3.350 20 10 DGCDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)o1 ZINC000769235803 622509671 /nfs/dbraw/zinc/50/96/71/622509671.db2.gz GJBLZNPFYNVWIW-NSHDSACASA-N 1 1 307.781 3.117 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC000769301147 622514962 /nfs/dbraw/zinc/51/49/62/622514962.db2.gz MDLZUJCFKNZBEJ-SFHVURJKSA-N 1 1 318.461 3.260 20 10 DGCDMO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000769328570 622518301 /nfs/dbraw/zinc/51/83/01/622518301.db2.gz RBHKGHHGZRJYDO-LJQANCHMSA-N 1 1 324.424 3.016 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000769446015 622528124 /nfs/dbraw/zinc/52/81/24/622528124.db2.gz KPCFKMBHQGBDJD-IBGZPJMESA-N 1 1 313.397 3.283 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769452473 622529117 /nfs/dbraw/zinc/52/91/17/622529117.db2.gz SMPJEMMACPHEDV-LSDHHAIUSA-N 1 1 306.425 3.140 20 10 DGCDMO 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CN(C)c1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1F ZINC000779188243 623739821 /nfs/dbraw/zinc/73/98/21/623739821.db2.gz IWPWAOLDDVNKGL-MRXNPFEDSA-N 1 1 306.425 3.283 20 10 DGCDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000779510023 623776017 /nfs/dbraw/zinc/77/60/17/623776017.db2.gz HWFHORNNFGDVHL-KRWDZBQOSA-N 1 1 303.377 3.304 20 10 DGCDMO COc1c(C)cnc(C[N@@H+](C)Cc2c(C)cccc2O)c1C ZINC000877320332 623851276 /nfs/dbraw/zinc/85/12/76/623851276.db2.gz XYFGTBOGNNPLQU-UHFFFAOYSA-N 1 1 300.402 3.353 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000877377723 623862089 /nfs/dbraw/zinc/86/20/89/623862089.db2.gz WJFHWDJPPUGUHU-OAHLLOKOSA-N 1 1 305.418 3.254 20 10 DGCDMO Cc1ccoc1C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877546968 623936166 /nfs/dbraw/zinc/93/61/66/623936166.db2.gz YZMWKPUFZGHENV-UHFFFAOYSA-N 1 1 314.429 3.181 20 10 DGCDMO O=C1C[C@@]2(CC[N@H+](Cc3ccccc3O)C2)Oc2ccccc21 ZINC000877590027 623953589 /nfs/dbraw/zinc/95/35/89/623953589.db2.gz WHGMTVMYCQCOJU-LJQANCHMSA-N 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/nfs/dbraw/zinc/99/15/17/623991517.db2.gz GSVABFAMYVYAEA-BTJLNZGRSA-N 1 1 320.389 3.367 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)cc1F ZINC000780892555 623994225 /nfs/dbraw/zinc/99/42/25/623994225.db2.gz LIIIWFFRTVURPZ-ZBFHGGJFSA-N 1 1 308.441 3.265 20 10 DGCDMO C[C@H]1CN(c2ccccc2C[N@H+]2Cc3cccc(O)c3C2)CCO1 ZINC000877703212 623998896 /nfs/dbraw/zinc/99/88/96/623998896.db2.gz WJWNFQJXUNJYDX-HNNXBMFYSA-N 1 1 324.424 3.133 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CN2CCC1CC2 ZINC000877706955 623999911 /nfs/dbraw/zinc/99/99/11/623999911.db2.gz VRBCZBCIRLWEGD-FQEVSTJZSA-N 1 1 313.489 3.203 20 10 DGCDMO CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000877706955 623999916 /nfs/dbraw/zinc/99/99/16/623999916.db2.gz VRBCZBCIRLWEGD-FQEVSTJZSA-N 1 1 313.489 3.203 20 10 DGCDMO Cc1cccc(C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)c1O ZINC000877762315 624025574 /nfs/dbraw/zinc/02/55/74/624025574.db2.gz FZBPBBDDHWSSPU-KRWDZBQOSA-N 1 1 309.413 3.080 20 10 DGCDMO COc1c(O)c(C[NH2+]CCC[C@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000877807547 624040610 /nfs/dbraw/zinc/04/06/10/624040610.db2.gz WZBJTASZKGKFQW-LBPRGKRZSA-N 1 1 306.362 3.145 20 10 DGCDMO COC(=O)CC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000877818813 624050522 /nfs/dbraw/zinc/05/05/22/624050522.db2.gz PLMGPEBEYGEHLI-LBPRGKRZSA-N 1 1 311.809 3.211 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000877823615 624056601 /nfs/dbraw/zinc/05/66/01/624056601.db2.gz XLPYIQITJYACPJ-SMDDNHRTSA-N 1 1 317.351 3.496 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCc3ncsc3C1)CCCC2 ZINC000783545647 624364327 /nfs/dbraw/zinc/36/43/27/624364327.db2.gz OMMSCOMIVMBJCE-UHFFFAOYSA-N 1 1 300.427 3.286 20 10 DGCDMO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1ccccc1O ZINC000805749217 624378471 /nfs/dbraw/zinc/37/84/71/624378471.db2.gz WQGUVPNQGAOWHK-NXEZZACHSA-N 1 1 322.206 3.357 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000790930507 625717890 /nfs/dbraw/zinc/71/78/90/625717890.db2.gz DEMZBFYJMZODTP-AWEZNQCLSA-N 1 1 313.825 3.301 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000790930507 625717897 /nfs/dbraw/zinc/71/78/97/625717897.db2.gz DEMZBFYJMZODTP-AWEZNQCLSA-N 1 1 313.825 3.301 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@]2(C)CCO[C@@H]2C)c1 ZINC000784640124 624563951 /nfs/dbraw/zinc/56/39/51/624563951.db2.gz LKCZJGMDCLCPGF-QMTHXVAHSA-N 1 1 314.223 3.120 20 10 DGCDMO C[C@H]([NH2+]Cc1nc(CCc2ccccc2)no1)c1ccccc1O ZINC000879651372 624624215 /nfs/dbraw/zinc/62/42/15/624624215.db2.gz SJPBBYDIIUAYQD-AWEZNQCLSA-N 1 1 323.396 3.411 20 10 DGCDMO CCN1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000787418630 625008633 /nfs/dbraw/zinc/00/86/33/625008633.db2.gz YYRUNBOPWPRFBU-UHFFFAOYSA-N 1 1 324.424 3.113 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000787441750 625010712 /nfs/dbraw/zinc/01/07/12/625010712.db2.gz ZVRPTESEBLIBII-QGZVFWFLSA-N 1 1 304.434 3.059 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000787441750 625010714 /nfs/dbraw/zinc/01/07/14/625010714.db2.gz ZVRPTESEBLIBII-QGZVFWFLSA-N 1 1 304.434 3.059 20 10 DGCDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)no1 ZINC000788543343 625212807 /nfs/dbraw/zinc/21/28/07/625212807.db2.gz UKLIUCCJMQEIQQ-CQSZACIVSA-N 1 1 317.458 3.387 20 10 DGCDMO C[C@@H]([NH2+]CCC[C@H](C)CO)c1cccc(C(F)(F)F)c1O ZINC000788685106 625243605 /nfs/dbraw/zinc/24/36/05/625243605.db2.gz GQCUBBBQKHNXEU-WDEREUQCSA-N 1 1 305.340 3.470 20 10 DGCDMO C[C@@H]([NH2+]CCN1CC=CCC1)c1cccc(C(F)(F)F)c1O ZINC000788803829 625270695 /nfs/dbraw/zinc/27/06/95/625270695.db2.gz HNYOMAINJFQCTI-GFCCVEGCSA-N 1 1 314.351 3.324 20 10 DGCDMO CCOc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)ccc1O ZINC000788841227 625279141 /nfs/dbraw/zinc/27/91/41/625279141.db2.gz SXDAXICNUQGUKX-UHFFFAOYSA-N 1 1 314.429 3.489 20 10 DGCDMO CC(C)[C@@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000790982735 625729402 /nfs/dbraw/zinc/72/94/02/625729402.db2.gz XNACOSFLAXEYFG-YGRLFVJLSA-N 1 1 301.789 3.478 20 10 DGCDMO CCCOc1ncccc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000882923242 625861899 /nfs/dbraw/zinc/86/18/99/625861899.db2.gz ZISLVKOXDXPZHN-UHFFFAOYSA-N 1 1 308.328 3.144 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H](O)c1cccc(F)c1 ZINC000883027692 625902178 /nfs/dbraw/zinc/90/21/78/625902178.db2.gz KQPRPHDSKWXKNP-PSLIRLAXSA-N 1 1 311.303 3.021 20 10 DGCDMO OCCCC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792173378 625919652 /nfs/dbraw/zinc/91/96/52/625919652.db2.gz DWFYWTFFQDQOHS-UHFFFAOYSA-N 1 1 301.789 3.169 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]([C@@H](C)C(=O)OC)C2CCC2)cc1 ZINC000792188967 625923098 /nfs/dbraw/zinc/92/30/98/625923098.db2.gz ZCBPFCHPFGZIDA-HNNXBMFYSA-N 1 1 318.461 3.449 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]([C@@H](C)C(=O)OC)C2CCC2)cc1 ZINC000792188967 625923102 /nfs/dbraw/zinc/92/31/02/625923102.db2.gz ZCBPFCHPFGZIDA-HNNXBMFYSA-N 1 1 318.461 3.449 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000883099205 625926865 /nfs/dbraw/zinc/92/68/65/625926865.db2.gz MQKUBTICYUZEFS-CQSZACIVSA-N 1 1 309.287 3.423 20 10 DGCDMO OC1CCN(c2ccc(CNc3ccc4[nH]c[nH+]c4c3)cc2)CC1 ZINC000883114498 625932363 /nfs/dbraw/zinc/93/23/63/625932363.db2.gz XUCCLZQHPBYPPC-UHFFFAOYSA-N 1 1 322.412 3.136 20 10 DGCDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000131083458 625942707 /nfs/dbraw/zinc/94/27/07/625942707.db2.gz LXDHGCUZMSQONV-AWEZNQCLSA-N 1 1 318.392 3.448 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@](C)(O)c1ccccc1 ZINC000883157946 625946521 /nfs/dbraw/zinc/94/65/21/625946521.db2.gz PHDVRSFOWDYLNR-DIFFPNOSSA-N 1 1 307.340 3.056 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000883156229 625947046 /nfs/dbraw/zinc/94/70/46/625947046.db2.gz INWJDNGOLNKXMW-SECBINFHSA-N 1 1 309.312 3.235 20 10 DGCDMO CC[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(F)cc1O ZINC000796706982 626075091 /nfs/dbraw/zinc/07/50/91/626075091.db2.gz BXHGVFIKIKQJFX-ZDUSSCGKSA-N 1 1 305.378 3.481 20 10 DGCDMO CC[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(F)cc1O ZINC000796780344 626081512 /nfs/dbraw/zinc/08/15/12/626081512.db2.gz RAUHJRUXKGZQTN-RDJZCZTQSA-N 1 1 303.377 3.176 20 10 DGCDMO CC[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(F)cc1O ZINC000796789656 626083267 /nfs/dbraw/zinc/08/32/67/626083267.db2.gz OULDPADCDPLELM-INIZCTEOSA-N 1 1 322.424 3.363 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(F)cc1O ZINC000796790822 626083279 /nfs/dbraw/zinc/08/32/79/626083279.db2.gz WABREGQLBSQYHV-ZBFHGGJFSA-N 1 1 312.454 3.009 20 10 DGCDMO CC[C@H]([NH2+][C@H](CO)c1ccccc1OC)c1ccc(F)cc1O ZINC000796818472 626085881 /nfs/dbraw/zinc/08/58/81/626085881.db2.gz UTHJHTZNBBGNRD-JKSUJKDBSA-N 1 1 319.376 3.314 20 10 DGCDMO COc1ccc(O)c(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c1 ZINC000797605513 626159648 /nfs/dbraw/zinc/15/96/48/626159648.db2.gz SARJQTORJPISAE-UHFFFAOYSA-N 1 1 315.266 3.247 20 10 DGCDMO CN(CCC[N@@H+](C)Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000797972983 626185892 /nfs/dbraw/zinc/18/58/92/626185892.db2.gz JJCFZEURKDIRTI-UHFFFAOYSA-N 1 1 308.422 3.081 20 10 DGCDMO COc1cc(Br)cc(C[N@H+]2CCC=C(C)C2)c1O ZINC000798090454 626193401 /nfs/dbraw/zinc/19/34/01/626193401.db2.gz MBCAZIZCBNIOSP-UHFFFAOYSA-N 1 1 312.207 3.315 20 10 DGCDMO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc(C(F)(F)F)c1O ZINC000798181484 626199859 /nfs/dbraw/zinc/19/98/59/626199859.db2.gz KPLBNRJYKBVIFH-FRGLDACASA-N 1 1 323.380 3.219 20 10 DGCDMO CCN(CC)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000798179945 626199926 /nfs/dbraw/zinc/19/99/26/626199926.db2.gz UOABEKOWWBFZGX-LLVKDONJSA-N 1 1 304.356 3.403 20 10 DGCDMO C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798180082 626200022 /nfs/dbraw/zinc/20/00/22/626200022.db2.gz YOWRBIJJKQMHIZ-JTQLQIEISA-N 1 1 302.340 3.156 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCCO1 ZINC000799162363 626276921 /nfs/dbraw/zinc/27/69/21/626276921.db2.gz RGTRBTSVLZJHNZ-OAHLLOKOSA-N 1 1 307.434 3.396 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](c3ccccn3)C2)c1O ZINC000799192231 626279585 /nfs/dbraw/zinc/27/95/85/626279585.db2.gz CZCAOKIASPNAPL-ZDUSSCGKSA-N 1 1 314.360 3.118 20 10 DGCDMO CCC(CC)(CCO)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000801587466 626410746 /nfs/dbraw/zinc/41/07/46/626410746.db2.gz PCNWWIHNCJIICU-UHFFFAOYSA-N 1 1 313.825 3.279 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)NC1CCCC1 ZINC000801596565 626411192 /nfs/dbraw/zinc/41/11/92/626411192.db2.gz FTBKXTMPFAFTGK-OAHLLOKOSA-N 1 1 318.461 3.442 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CCCCC1 ZINC000801598630 626411680 /nfs/dbraw/zinc/41/16/80/626411680.db2.gz DHIVXQMAWYXCEU-INIZCTEOSA-N 1 1 318.461 3.395 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)N[C@@H](C)CC ZINC000801598170 626411916 /nfs/dbraw/zinc/41/19/16/626411916.db2.gz WOONZYLKLBJXSM-GJZGRUSLSA-N 1 1 306.450 3.298 20 10 DGCDMO CC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H](O)c1ccccc1 ZINC000883203702 626607483 /nfs/dbraw/zinc/60/74/83/626607483.db2.gz JJIUJPQTYSDDNW-DOTOQJQBSA-N 1 1 307.340 3.272 20 10 DGCDMO CC[C@H](c1ccncc1)[N@@H+](CC)Cc1cc2c(cc1O)OCO2 ZINC000131514657 626646790 /nfs/dbraw/zinc/64/67/90/626646790.db2.gz OMLGGDFGZADKTJ-OAHLLOKOSA-N 1 1 314.385 3.489 20 10 DGCDMO Oc1ccccc1CNc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883346144 626655141 /nfs/dbraw/zinc/65/51/41/626655141.db2.gz SOCGQKOOCWJBCL-LJQANCHMSA-N 1 1 323.440 3.289 20 10 DGCDMO Cc1ccc2[nH]c(NCc3ccc(N4CCOCC4)cc3)[nH+]c2c1 ZINC000883407694 626675481 /nfs/dbraw/zinc/67/54/81/626675481.db2.gz BUFKFZQLBDYIAP-UHFFFAOYSA-N 1 1 322.412 3.320 20 10 DGCDMO CN1CCC[C@]2(CC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)C1 ZINC000840085982 626751622 /nfs/dbraw/zinc/75/16/22/626751622.db2.gz JIDGCIIPMLNDKU-FQEVSTJZSA-N 1 1 314.473 3.189 20 10 DGCDMO CN1CCC[C@]2(CC[N@@H+](Cc3cc4c(cc3O)CCCC4)C2)C1 ZINC000840085982 626751625 /nfs/dbraw/zinc/75/16/25/626751625.db2.gz JIDGCIIPMLNDKU-FQEVSTJZSA-N 1 1 314.473 3.189 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000840110878 626765383 /nfs/dbraw/zinc/76/53/83/626765383.db2.gz VCROUEYJAQTNFZ-HNNXBMFYSA-N 1 1 318.461 3.123 20 10 DGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c1O ZINC000808675594 626848265 /nfs/dbraw/zinc/84/82/65/626848265.db2.gz MNJPYPMPXMDGQZ-QWHCGFSZSA-N 1 1 308.853 3.489 20 10 DGCDMO COc1cc(C)cc(C[N@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c1O ZINC000840143720 626857873 /nfs/dbraw/zinc/85/78/73/626857873.db2.gz XGMYWQQADWRJCG-CVEARBPZSA-N 1 1 305.418 3.099 20 10 DGCDMO COc1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c(O)c(C(C)(C)C)c1 ZINC000840167759 626901466 /nfs/dbraw/zinc/90/14/66/626901466.db2.gz CVZCIGPSEACRLH-JSGCOSHPSA-N 1 1 307.459 3.388 20 10 DGCDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000809692894 626937400 /nfs/dbraw/zinc/93/74/00/626937400.db2.gz IZUDFVZEKHWBFI-OKILXGFUSA-N 1 1 316.367 3.381 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCOc3ccc(C)cc3C2)c1O ZINC000809703049 626938470 /nfs/dbraw/zinc/93/84/70/626938470.db2.gz CNIPPWRRGIINOY-UHFFFAOYSA-N 1 1 313.397 3.494 20 10 DGCDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809701402 626938713 /nfs/dbraw/zinc/93/87/13/626938713.db2.gz XMGSSYZFWYQRKE-HOCLYGCPSA-N 1 1 308.441 3.407 20 10 DGCDMO C[N@@H+](CCC(N)=O)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000809713000 626940130 /nfs/dbraw/zinc/94/01/30/626940130.db2.gz BUTMFJGNWLYBJO-UHFFFAOYSA-N 1 1 320.477 3.294 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](CCN(C)C)Cc2ccc(F)cc2)c1 ZINC000809736005 626943494 /nfs/dbraw/zinc/94/34/94/626943494.db2.gz CDRMCRDDNRGBQN-UHFFFAOYSA-N 1 1 316.420 3.404 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+](CCN(C)C)Cc2ccc(F)cc2)c1 ZINC000809736005 626943497 /nfs/dbraw/zinc/94/34/97/626943497.db2.gz CDRMCRDDNRGBQN-UHFFFAOYSA-N 1 1 316.420 3.404 20 10 DGCDMO COCCC[N@@H+](Cc1ccncc1)Cc1cc(Cl)ccc1O ZINC000809740478 626945013 /nfs/dbraw/zinc/94/50/13/626945013.db2.gz AFCSLHWTLXZKQH-UHFFFAOYSA-N 1 1 320.820 3.479 20 10 DGCDMO Cc1cccc(C[N@H+](CCN(C)C)Cc2cccs2)c1O ZINC000809745569 626945608 /nfs/dbraw/zinc/94/56/08/626945608.db2.gz BRHFANCOCGEPRA-UHFFFAOYSA-N 1 1 304.459 3.326 20 10 DGCDMO Cc1cccc(C[N@@H+](CCN(C)C)Cc2cccs2)c1O ZINC000809745569 626945610 /nfs/dbraw/zinc/94/56/10/626945610.db2.gz BRHFANCOCGEPRA-UHFFFAOYSA-N 1 1 304.459 3.326 20 10 DGCDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000809748918 626945901 /nfs/dbraw/zinc/94/59/01/626945901.db2.gz GIVOYUFXAZJCLF-CYBMUJFWSA-N 1 1 309.381 3.085 20 10 DGCDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000809748918 626945903 /nfs/dbraw/zinc/94/59/03/626945903.db2.gz GIVOYUFXAZJCLF-CYBMUJFWSA-N 1 1 309.381 3.085 20 10 DGCDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000809748919 626946140 /nfs/dbraw/zinc/94/61/40/626946140.db2.gz GIVOYUFXAZJCLF-ZDUSSCGKSA-N 1 1 309.381 3.085 20 10 DGCDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000809748919 626946143 /nfs/dbraw/zinc/94/61/43/626946143.db2.gz GIVOYUFXAZJCLF-ZDUSSCGKSA-N 1 1 309.381 3.085 20 10 DGCDMO C[N@H+](Cc1ccc(O)cc1)Cc1cccc(Br)c1O ZINC000809753610 626946728 /nfs/dbraw/zinc/94/67/28/626946728.db2.gz MULWOXLVVPFCSC-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO C[N@@H+](Cc1ccc(O)cc1)Cc1cccc(Br)c1O ZINC000809753610 626946729 /nfs/dbraw/zinc/94/67/29/626946729.db2.gz MULWOXLVVPFCSC-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809768604 626950206 /nfs/dbraw/zinc/95/02/06/626950206.db2.gz QCIQLRMUEAZOCL-AEFFLSMTSA-N 1 1 301.478 3.201 20 10 DGCDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809768604 626950210 /nfs/dbraw/zinc/95/02/10/626950210.db2.gz QCIQLRMUEAZOCL-AEFFLSMTSA-N 1 1 301.478 3.201 20 10 DGCDMO CCCC[N@H+](C)C[C@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000809792760 626954481 /nfs/dbraw/zinc/95/44/81/626954481.db2.gz FXNUPEGWJPTBGH-LBPRGKRZSA-N 1 1 314.857 3.264 20 10 DGCDMO CCCC[N@@H+](C)C[C@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000809792760 626954483 /nfs/dbraw/zinc/95/44/83/626954483.db2.gz FXNUPEGWJPTBGH-LBPRGKRZSA-N 1 1 314.857 3.264 20 10 DGCDMO c1cc(C2CC2)cc(NCc2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000810175442 626984190 /nfs/dbraw/zinc/98/41/90/626984190.db2.gz MHRRTIGTGLUDOR-UHFFFAOYSA-N 1 1 309.413 3.408 20 10 DGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)c1O ZINC000810252777 626993308 /nfs/dbraw/zinc/99/33/08/626993308.db2.gz JAGDGZACBXOBJP-ZYHUDNBSSA-N 1 1 305.809 3.285 20 10 DGCDMO COCc1nc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)cs1 ZINC000810253658 626993335 /nfs/dbraw/zinc/99/33/35/626993335.db2.gz ZONXRIMDJFNDKR-SKDRFNHKSA-N 1 1 322.405 3.472 20 10 DGCDMO COC(=O)c1cnc(SC[C@H]2CCCC[N@H+]2C(C)C)s1 ZINC000840209763 627046775 /nfs/dbraw/zinc/04/67/75/627046775.db2.gz BIGOZQICMYYBPS-LLVKDONJSA-N 1 1 314.476 3.285 20 10 DGCDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000136825235 627103729 /nfs/dbraw/zinc/10/37/29/627103729.db2.gz KXVHPJKKOAEFOO-AEFFLSMTSA-N 1 1 302.462 3.270 20 10 DGCDMO CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886516744 627155679 /nfs/dbraw/zinc/15/56/79/627155679.db2.gz WZYPUSDYXMVYLO-ZDUSSCGKSA-N 1 1 322.424 3.219 20 10 DGCDMO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886528151 627157202 /nfs/dbraw/zinc/15/72/02/627157202.db2.gz HVPIGANRSQYFAW-IINYFYTJSA-N 1 1 301.365 3.358 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)[C@@H](O)c1ccc(F)cc1 ZINC000886527922 627157295 /nfs/dbraw/zinc/15/72/95/627157295.db2.gz CKVZNDYHOKNKRC-WVQJBOLRSA-N 1 1 307.340 3.443 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1F ZINC000886526371 627157348 /nfs/dbraw/zinc/15/73/48/627157348.db2.gz LHOPDKCAWGOSDP-NEPJUHHUSA-N 1 1 324.396 3.191 20 10 DGCDMO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1c(O)cccc1F ZINC000886530521 627157966 /nfs/dbraw/zinc/15/79/66/627157966.db2.gz LWLCOXQIUXBYTG-ZFWWWQNUSA-N 1 1 303.377 3.348 20 10 DGCDMO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886532919 627158234 /nfs/dbraw/zinc/15/82/34/627158234.db2.gz RAHGSIYKDTXRPN-PWSUYJOCSA-N 1 1 305.397 3.163 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1c(O)cccc1F ZINC000886551595 627161801 /nfs/dbraw/zinc/16/18/01/627161801.db2.gz KOQNRYRESHWTLC-DOMZBBRYSA-N 1 1 320.408 3.116 20 10 DGCDMO CNC(=O)C[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)c1ccccc1 ZINC000886605043 627171441 /nfs/dbraw/zinc/17/14/41/627171441.db2.gz IMSYXFMRRGDFEJ-IUODEOHRSA-N 1 1 316.376 3.059 20 10 DGCDMO C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1c(O)cccc1F ZINC000886606526 627171518 /nfs/dbraw/zinc/17/15/18/627171518.db2.gz ANWUQYJQPJHPEL-HIFRSBDPSA-N 1 1 303.377 3.176 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)c1c(O)cccc1F ZINC000886620131 627174958 /nfs/dbraw/zinc/17/49/58/627174958.db2.gz CJMSTNKOUMCJHN-DXCKQFNASA-N 1 1 316.376 3.497 20 10 DGCDMO C[C@H]([NH2+][C@@H](CCO)c1ccccc1F)c1c(O)cccc1F ZINC000886630309 627176627 /nfs/dbraw/zinc/17/66/27/627176627.db2.gz ZNLQOIUMQPZPQV-NHYWBVRUSA-N 1 1 307.340 3.445 20 10 DGCDMO COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886634865 627177214 /nfs/dbraw/zinc/17/72/14/627177214.db2.gz ORRKXLZFAMOSTA-GFCCVEGCSA-N 1 1 317.360 3.098 20 10 DGCDMO Cc1cc(O)c(C[NH+]2CC(O)(c3ccc(Cl)cc3)C2)cc1C ZINC000811509166 627284035 /nfs/dbraw/zinc/28/40/35/627284035.db2.gz KYDNCDRSCKNBDM-UHFFFAOYSA-N 1 1 317.816 3.366 20 10 DGCDMO CC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@@H]1CCOC1 ZINC000812296243 627367925 /nfs/dbraw/zinc/36/79/25/627367925.db2.gz NYYPSTAINYSDBX-CQSZACIVSA-N 1 1 301.386 3.165 20 10 DGCDMO COCC(C)(C)C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000813790061 627512179 /nfs/dbraw/zinc/51/21/79/627512179.db2.gz HRWHXGUIJVBUMS-UHFFFAOYSA-N 1 1 316.239 3.225 20 10 DGCDMO CN1C[C@H]2[C@@H](CC[N@H+]2Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000814172897 627546370 /nfs/dbraw/zinc/54/63/70/627546370.db2.gz CUFPUAUJNNVWDJ-HKUYNNGSSA-N 1 1 308.425 3.195 20 10 DGCDMO Cc1cc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)ccc1N(C)C ZINC000815013047 627617124 /nfs/dbraw/zinc/61/71/24/627617124.db2.gz PILZWSUDCGRRFU-UHFFFAOYSA-N 1 1 312.413 3.422 20 10 DGCDMO Cc1cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)ccc1N(C)C ZINC000815060177 627620315 /nfs/dbraw/zinc/62/03/15/627620315.db2.gz QAXVCNIDULKIRY-SFHVURJKSA-N 1 1 300.402 3.228 20 10 DGCDMO Cc1cc(C[N@H+]2CCO[C@H](c3ccco3)C2)ccc1N(C)C ZINC000815060177 627620321 /nfs/dbraw/zinc/62/03/21/627620321.db2.gz QAXVCNIDULKIRY-SFHVURJKSA-N 1 1 300.402 3.228 20 10 DGCDMO Cc1nccn1CCC[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815073809 627623074 /nfs/dbraw/zinc/62/30/74/627623074.db2.gz AUTUKFUDXKWQNC-UHFFFAOYSA-N 1 1 300.450 3.088 20 10 DGCDMO Cc1cc(C[N@H+]2CCC3(CCOCC3)[C@H]2C)ccc1N(C)C ZINC000815092974 627625474 /nfs/dbraw/zinc/62/54/74/627625474.db2.gz YFQYOMCNIGPZMP-MRXNPFEDSA-N 1 1 302.462 3.452 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2C[C@@H](N3CCCC3)C[C@H]2C)cc1 ZINC000815117414 627628954 /nfs/dbraw/zinc/62/89/54/627628954.db2.gz MDEIFLGRGXIFKK-APWZRJJASA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](N3CCCC3)C[C@H]2C)cc1 ZINC000815117414 627628958 /nfs/dbraw/zinc/62/89/58/627628958.db2.gz MDEIFLGRGXIFKK-APWZRJJASA-N 1 1 301.478 3.201 20 10 DGCDMO CSCc1cnc(C[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000815123137 627631792 /nfs/dbraw/zinc/63/17/92/627631792.db2.gz XNDKSQZLJTWGSA-UHFFFAOYSA-N 1 1 306.456 3.231 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CCCN1C)c1cccc(C(F)(F)F)c1O ZINC000815565880 627685474 /nfs/dbraw/zinc/68/54/74/627685474.db2.gz CLCKPBDKPBIRTR-GHMZBOCLSA-N 1 1 302.340 3.156 20 10 DGCDMO C[C@@H](c1cc(F)ccc1O)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925755474 627789262 /nfs/dbraw/zinc/78/92/62/627789262.db2.gz WGNIYNHDFGONMR-NSHDSACASA-N 1 1 302.349 3.069 20 10 DGCDMO CCc1nocc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000816481524 627795442 /nfs/dbraw/zinc/79/54/42/627795442.db2.gz ZHASOTHXVWMZSO-INIZCTEOSA-N 1 1 316.401 3.124 20 10 DGCDMO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816516932 627799782 /nfs/dbraw/zinc/79/97/82/627799782.db2.gz XKXMDUBAXGZVIW-CYBMUJFWSA-N 1 1 301.386 3.317 20 10 DGCDMO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816516932 627799786 /nfs/dbraw/zinc/79/97/86/627799786.db2.gz XKXMDUBAXGZVIW-CYBMUJFWSA-N 1 1 301.386 3.317 20 10 DGCDMO Oc1c(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)ccc2ccccc21 ZINC000816514980 627800429 /nfs/dbraw/zinc/80/04/29/627800429.db2.gz LYIRSSZSUQYCBW-HNNXBMFYSA-N 1 1 311.303 3.045 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000816528563 627802668 /nfs/dbraw/zinc/80/26/68/627802668.db2.gz IDNZBWREYYIEGA-OAHLLOKOSA-N 1 1 313.731 3.147 20 10 DGCDMO Cc1ccccc1[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816555910 627807549 /nfs/dbraw/zinc/80/75/49/627807549.db2.gz UANMBPZRSRJQBU-HNNXBMFYSA-N 1 1 309.768 3.316 20 10 DGCDMO Cc1cccn2cc(C[NH2+]Cc3cc(Cl)c(F)cc3O)nc12 ZINC000816563369 627808385 /nfs/dbraw/zinc/80/83/85/627808385.db2.gz VZTAGNSGPSQREI-UHFFFAOYSA-N 1 1 319.767 3.431 20 10 DGCDMO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1O ZINC000816560693 627808518 /nfs/dbraw/zinc/80/85/18/627808518.db2.gz XMVVMXNXNDFUIL-XHDPSFHLSA-N 1 1 315.816 3.414 20 10 DGCDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1O ZINC000816560693 627808522 /nfs/dbraw/zinc/80/85/22/627808522.db2.gz XMVVMXNXNDFUIL-XHDPSFHLSA-N 1 1 315.816 3.414 20 10 DGCDMO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816568638 627809193 /nfs/dbraw/zinc/80/91/93/627809193.db2.gz MEEUGIJRLVQDPI-CQSZACIVSA-N 1 1 303.761 3.006 20 10 DGCDMO CCOC(=O)C1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCC1 ZINC000816568059 627809397 /nfs/dbraw/zinc/80/93/97/627809397.db2.gz VGFCUTBAMNVWIP-UHFFFAOYSA-N 1 1 315.772 3.008 20 10 DGCDMO COc1cnccc1[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816586198 627811572 /nfs/dbraw/zinc/81/15/72/627811572.db2.gz CGFCIAKARDJHDP-VIFPVBQESA-N 1 1 310.756 3.439 20 10 DGCDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816594943 627812786 /nfs/dbraw/zinc/81/27/86/627812786.db2.gz UDHVTCIPOQMTHF-JQWIXIFHSA-N 1 1 301.789 3.310 20 10 DGCDMO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816594943 627812788 /nfs/dbraw/zinc/81/27/88/627812788.db2.gz UDHVTCIPOQMTHF-JQWIXIFHSA-N 1 1 301.789 3.310 20 10 DGCDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816594943 627812790 /nfs/dbraw/zinc/81/27/90/627812790.db2.gz UDHVTCIPOQMTHF-JQWIXIFHSA-N 1 1 301.789 3.310 20 10 DGCDMO CN(C)c1ccc(CN2CC[N@@H+](C)Cc3ccccc32)cc1F ZINC000816618349 627815226 /nfs/dbraw/zinc/81/52/26/627815226.db2.gz VNXWVSRCVRAVPS-UHFFFAOYSA-N 1 1 313.420 3.344 20 10 DGCDMO CC(C)[C@H]1[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1(C)C ZINC000816624974 627816490 /nfs/dbraw/zinc/81/64/90/627816490.db2.gz NEMRPHQDVVBPBE-LJQANCHMSA-N 1 1 315.505 3.305 20 10 DGCDMO CC(C)[C@H]1[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1(C)C ZINC000816624974 627816495 /nfs/dbraw/zinc/81/64/95/627816495.db2.gz NEMRPHQDVVBPBE-LJQANCHMSA-N 1 1 315.505 3.305 20 10 DGCDMO C[N@@H+](Cc1c(O)ccc(Cl)c1F)C[C@@H](O)Cc1ccccc1 ZINC000816624646 627816748 /nfs/dbraw/zinc/81/67/48/627816748.db2.gz BXCGQOFSONQMDH-ZDUSSCGKSA-N 1 1 323.795 3.220 20 10 DGCDMO C[N@H+](Cc1c(O)ccc(Cl)c1F)C[C@@H](O)Cc1ccccc1 ZINC000816624646 627816750 /nfs/dbraw/zinc/81/67/50/627816750.db2.gz BXCGQOFSONQMDH-ZDUSSCGKSA-N 1 1 323.795 3.220 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000816647870 627820359 /nfs/dbraw/zinc/82/03/59/627820359.db2.gz ZHCALMXNIDPVJY-KBPBESRZSA-N 1 1 303.406 3.425 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)c1O ZINC000816662465 627821987 /nfs/dbraw/zinc/82/19/87/627821987.db2.gz PZEAIUNOAXCEEF-GOSISDBHSA-N 1 1 307.434 3.021 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)cc1F ZINC000817412341 627896252 /nfs/dbraw/zinc/89/62/52/627896252.db2.gz IYJVKHKKRYYZIH-GDBMZVCRSA-N 1 1 308.441 3.122 20 10 DGCDMO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2O)C1 ZINC000817415179 627896877 /nfs/dbraw/zinc/89/68/77/627896877.db2.gz TZLHNAHMRMEBQV-ZFWWWQNUSA-N 1 1 305.418 3.192 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+]C(C)(C)c1cn(C(C)C)nn1 ZINC000817419836 627897683 /nfs/dbraw/zinc/89/76/83/627897683.db2.gz KVEZJBUAKSNCDY-UHFFFAOYSA-N 1 1 315.465 3.258 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](CCO)CC2)cc1 ZINC000817419641 627898114 /nfs/dbraw/zinc/89/81/14/627898114.db2.gz VQKXQLINIAYUAE-LKIHTYOGSA-N 1 1 302.462 3.250 20 10 DGCDMO COc1ccccc1[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817937984 627966382 /nfs/dbraw/zinc/96/63/82/627966382.db2.gz AWYGRBUSDANTDC-KDOFPFPSSA-N 1 1 313.445 3.112 20 10 DGCDMO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000817939099 627967486 /nfs/dbraw/zinc/96/74/86/627967486.db2.gz YVTNBBNCUWOFDW-UGSOOPFHSA-N 1 1 301.409 3.242 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000817938854 627967722 /nfs/dbraw/zinc/96/77/22/627967722.db2.gz UOKSLRNVTCGJMM-OALUTQOASA-N 1 1 313.420 3.169 20 10 DGCDMO COc1cccc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817939032 627967995 /nfs/dbraw/zinc/96/79/95/627967995.db2.gz XZISWMMIWWMLIE-AUUYWEPGSA-N 1 1 313.445 3.112 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccnc(Cl)c1 ZINC000817939893 627968035 /nfs/dbraw/zinc/96/80/35/627968035.db2.gz CZZLFMAMADQPMA-MLGOLLRUSA-N 1 1 318.852 3.152 20 10 DGCDMO Cc1cc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)oc1C ZINC000817941879 627968475 /nfs/dbraw/zinc/96/84/75/627968475.db2.gz LHYQUQDMFGWJEB-SUMWQHHRSA-N 1 1 301.434 3.313 20 10 DGCDMO Oc1ccccc1[C@H](CCc1ccccc1)N[C@@H]1CCC[NH2+]C1 ZINC000817942108 627968821 /nfs/dbraw/zinc/96/88/21/627968821.db2.gz WTVRFSKNTMIUPH-MJGOQNOKSA-N 1 1 310.441 3.408 20 10 DGCDMO CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817955504 627974255 /nfs/dbraw/zinc/97/42/55/627974255.db2.gz XPOFPIHWZMRAGO-SMDDNHRTSA-N 1 1 316.367 3.451 20 10 DGCDMO CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817961367 627976042 /nfs/dbraw/zinc/97/60/42/627976042.db2.gz XTUKCSVSHFUNTJ-STQMWFEESA-N 1 1 303.233 3.477 20 10 DGCDMO C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817960273 627976062 /nfs/dbraw/zinc/97/60/62/627976062.db2.gz LKSYOFCUVNGVBQ-CYBMUJFWSA-N 1 1 321.421 3.263 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cc(Cl)ccc1[O-] ZINC000817969725 627979083 /nfs/dbraw/zinc/97/90/83/627979083.db2.gz YSRQRUMFZJTMKC-NSHDSACASA-N 1 1 302.805 3.500 20 10 DGCDMO CC[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1O ZINC000817979774 627981386 /nfs/dbraw/zinc/98/13/86/627981386.db2.gz FDNSNBMUPKRNKY-NEPJUHHUSA-N 1 1 304.768 3.084 20 10 DGCDMO COc1ccc(N2CC[C@H](CNc3cc[nH+]cc3Cl)C2)cc1 ZINC000819934943 628201220 /nfs/dbraw/zinc/20/12/20/628201220.db2.gz IXNNGWPYSPCPPG-CYBMUJFWSA-N 1 1 317.820 3.104 20 10 DGCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000821392497 628363292 /nfs/dbraw/zinc/36/32/92/628363292.db2.gz ZYNLLCBCRUHMJX-HNNXBMFYSA-N 1 1 318.461 3.109 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)cc1F ZINC000822515998 628459861 /nfs/dbraw/zinc/45/98/61/628459861.db2.gz HAEGZBHYEYRBGD-LJQANCHMSA-N 1 1 316.420 3.231 20 10 DGCDMO Cc1cnc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)s1 ZINC000823666312 628585260 /nfs/dbraw/zinc/58/52/60/628585260.db2.gz JNGICOIWOWYVJS-UHFFFAOYSA-N 1 1 319.499 3.295 20 10 DGCDMO CCC[N@H+](Cc1cn(C2CCC2)nn1)Cc1ccccc1O ZINC000824649724 628679896 /nfs/dbraw/zinc/67/98/96/628679896.db2.gz HPMCMWQNZNZZFQ-UHFFFAOYSA-N 1 1 300.406 3.121 20 10 DGCDMO CCC[N@@H+](Cc1cn(C2CCC2)nn1)Cc1ccccc1O ZINC000824649724 628679899 /nfs/dbraw/zinc/67/98/99/628679899.db2.gz HPMCMWQNZNZZFQ-UHFFFAOYSA-N 1 1 300.406 3.121 20 10 DGCDMO CC[C@H]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000824653767 628680536 /nfs/dbraw/zinc/68/05/36/628680536.db2.gz HHYWCALRKJLXMM-RYUDHWBXSA-N 1 1 308.378 3.225 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000824691196 628683978 /nfs/dbraw/zinc/68/39/78/628683978.db2.gz XZLLBMDRWZUSDL-OAHLLOKOSA-N 1 1 321.804 3.220 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(O)c1 ZINC000824695986 628684575 /nfs/dbraw/zinc/68/45/75/628684575.db2.gz GAICKJIQYSVATA-KZNAEPCWSA-N 1 1 319.445 3.306 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824723074 628687682 /nfs/dbraw/zinc/68/76/82/628687682.db2.gz ZYGCZFHAPFBVLG-GLQYFDAESA-N 1 1 313.800 3.310 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824723074 628687685 /nfs/dbraw/zinc/68/76/85/628687685.db2.gz ZYGCZFHAPFBVLG-GLQYFDAESA-N 1 1 313.800 3.310 20 10 DGCDMO Cc1cc(Cl)cc(C[NH2+]Cc2nn(C)cc2Cl)c1O ZINC000824758062 628690159 /nfs/dbraw/zinc/69/01/59/628690159.db2.gz HKEKVJLDBLUZNH-UHFFFAOYSA-N 1 1 300.189 3.031 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000824769691 628691385 /nfs/dbraw/zinc/69/13/85/628691385.db2.gz XXRCXJJOJYCTHE-DGCLKSJQSA-N 1 1 323.742 3.242 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1(C)C ZINC000824820974 628697568 /nfs/dbraw/zinc/69/75/68/628697568.db2.gz RVKSDBBPQCIZAS-CYBMUJFWSA-N 1 1 301.789 3.432 20 10 DGCDMO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000825040991 628719355 /nfs/dbraw/zinc/71/93/55/628719355.db2.gz XPAVCJADHLTMPK-MFKMUULPSA-N 1 1 315.772 3.006 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@]3(CCSC3)C2)cc1OC ZINC000825215319 628738413 /nfs/dbraw/zinc/73/84/13/628738413.db2.gz MFQBPSSKNUOUPN-QGZVFWFLSA-N 1 1 323.458 3.129 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H]2C(C)(C)O)c(O)c(C(C)(C)C)c1 ZINC000825501259 628769047 /nfs/dbraw/zinc/76/90/47/628769047.db2.gz NTYFIZWMLYQPSO-INIZCTEOSA-N 1 1 321.461 3.434 20 10 DGCDMO Cc1[nH+]cc(CN2CCCc3cc(OC(F)F)ccc32)n1C ZINC000825509134 628770240 /nfs/dbraw/zinc/77/02/40/628770240.db2.gz FPWHMZRGXRLMIT-UHFFFAOYSA-N 1 1 307.344 3.283 20 10 DGCDMO COc1cc(C[N@@H+]2CCOCC23CC3)c(O)c(C(C)(C)C)c1 ZINC000825803592 628799565 /nfs/dbraw/zinc/79/95/65/628799565.db2.gz CCORJJCDDJZDHB-UHFFFAOYSA-N 1 1 305.418 3.063 20 10 DGCDMO COc1cc(C[N@H+]2CCOCC23CC3)c(O)c(C(C)(C)C)c1 ZINC000825803592 628799567 /nfs/dbraw/zinc/79/95/67/628799567.db2.gz CCORJJCDDJZDHB-UHFFFAOYSA-N 1 1 305.418 3.063 20 10 DGCDMO CS[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000826048746 628823059 /nfs/dbraw/zinc/82/30/59/628823059.db2.gz LKKVQWDGMWUZIU-NSHDSACASA-N 1 1 302.237 3.092 20 10 DGCDMO Cc1cc(O)c(C[NH2+]Cc2nn(C)cc2Cl)cc1Cl ZINC000826054592 628823740 /nfs/dbraw/zinc/82/37/40/628823740.db2.gz ZCJNZRZJTIIZHL-UHFFFAOYSA-N 1 1 300.189 3.031 20 10 DGCDMO COc1cc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000826130833 628830166 /nfs/dbraw/zinc/83/01/66/628830166.db2.gz MIHNJLWHRZOLOM-ZIAGYGMSSA-N 1 1 321.461 3.149 20 10 DGCDMO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cccc(Br)c1O ZINC000842755369 628836126 /nfs/dbraw/zinc/83/61/26/628836126.db2.gz XYCGRGUXAPGZRF-ZYHUDNBSSA-N 1 1 316.239 3.041 20 10 DGCDMO CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000826867051 628897288 /nfs/dbraw/zinc/89/72/88/628897288.db2.gz GFBYYKFPVGFJQC-NSHDSACASA-N 1 1 300.805 3.147 20 10 DGCDMO FCC[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000827270811 628943668 /nfs/dbraw/zinc/94/36/68/628943668.db2.gz GNTCCDCFIZWQBJ-MRXNPFEDSA-N 1 1 306.425 3.095 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000827377065 628954043 /nfs/dbraw/zinc/95/40/43/628954043.db2.gz OOTWAYUAZDXYFA-RHSMWYFYSA-N 1 1 305.418 3.182 20 10 DGCDMO Cc1cc(C[N@@H+](CCO)CC2CC2)ccc1N1CCCCC1 ZINC000827492818 628963772 /nfs/dbraw/zinc/96/37/72/628963772.db2.gz 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Cc1cc(O)c(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c(Cl)c1 ZINC000827687139 628983124 /nfs/dbraw/zinc/98/31/24/628983124.db2.gz LJFYYXXVBJPECX-ZDUSSCGKSA-N 1 1 324.852 3.091 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000827715081 628984767 /nfs/dbraw/zinc/98/47/67/628984767.db2.gz HGNSKDYWMGMBFZ-GOSISDBHSA-N 1 1 320.383 3.162 20 10 DGCDMO CCc1cccc(C[N@@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1O ZINC000827785980 628991128 /nfs/dbraw/zinc/99/11/28/628991128.db2.gz FJNSVYYDUILESI-FZMZJTMJSA-N 1 1 317.351 3.496 20 10 DGCDMO CCc1cccc(C[N@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1O ZINC000827785980 628991131 /nfs/dbraw/zinc/99/11/31/628991131.db2.gz FJNSVYYDUILESI-FZMZJTMJSA-N 1 1 317.351 3.496 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](CCC(=O)CC(C)C)CC2)cc1 ZINC000827802566 628992727 /nfs/dbraw/zinc/99/27/27/628992727.db2.gz HMDFAHYCKQZOPX-UHFFFAOYSA-N 1 1 318.461 3.213 20 10 DGCDMO Cc1cc(CN2CC[C@@H](C[NH+](C)C)C2)ccc1N1CCCCC1 ZINC000827813531 628993577 /nfs/dbraw/zinc/99/35/77/628993577.db2.gz 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/nfs/dbraw/zinc/60/87/10/630608710.db2.gz NSKWXGWNTAHFHB-GOSISDBHSA-N 1 1 303.494 3.354 20 10 DGCDMO C[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1CN ZINC000843052243 630608814 /nfs/dbraw/zinc/60/88/14/630608814.db2.gz QOWSZDOVTZQUCQ-LPHOPBHVSA-N 1 1 301.478 3.236 20 10 DGCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1CN ZINC000843052243 630608817 /nfs/dbraw/zinc/60/88/17/630608817.db2.gz QOWSZDOVTZQUCQ-LPHOPBHVSA-N 1 1 301.478 3.236 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCCC[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000843437535 630659497 /nfs/dbraw/zinc/65/94/97/630659497.db2.gz KGRNAHGZCKUDTH-AWEZNQCLSA-N 1 1 320.389 3.464 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCCC[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000843437535 630659500 /nfs/dbraw/zinc/65/95/00/630659500.db2.gz KGRNAHGZCKUDTH-AWEZNQCLSA-N 1 1 320.389 3.464 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2cccc3c2CCC3)cc1 ZINC000844901742 630970186 /nfs/dbraw/zinc/97/01/86/630970186.db2.gz JTSXMHBMZIUBGG-FQEVSTJZSA-N 1 1 309.457 3.031 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccc3c[nH]nc3c2)cc1 ZINC000846052632 631208240 /nfs/dbraw/zinc/20/82/40/631208240.db2.gz PLAMAQLJHLYHAT-UHFFFAOYSA-N 1 1 324.428 3.140 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846111838 631210137 /nfs/dbraw/zinc/21/01/37/631210137.db2.gz NXQJMMWEXWHUEX-AOOOYVTPSA-N 1 1 318.161 3.160 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846111838 631210138 /nfs/dbraw/zinc/21/01/38/631210138.db2.gz NXQJMMWEXWHUEX-AOOOYVTPSA-N 1 1 318.161 3.160 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1O ZINC000846118556 631210684 /nfs/dbraw/zinc/21/06/84/631210684.db2.gz XLSBZXUQNIQZGF-ZDUSSCGKSA-N 1 1 303.736 3.285 20 10 DGCDMO COc1cccc([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)c1O ZINC000846161961 631213043 /nfs/dbraw/zinc/21/30/43/631213043.db2.gz DDDLMPPUHLBAIQ-AWEZNQCLSA-N 1 1 306.450 3.173 20 10 DGCDMO COc1cccc([C@@H](C)[NH2+]CCc2ccc3cn[nH]c3c2)c1O ZINC000846167395 631213185 /nfs/dbraw/zinc/21/31/85/631213185.db2.gz JHYVZIBLZRDYIX-GFCCVEGCSA-N 1 1 311.385 3.170 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1[O-] ZINC000846226377 631215691 /nfs/dbraw/zinc/21/56/91/631215691.db2.gz LSUNYZQWXQGEQJ-BZNIZROVSA-N 1 1 324.852 3.198 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1[O-] ZINC000846226377 631215692 /nfs/dbraw/zinc/21/56/92/631215692.db2.gz LSUNYZQWXQGEQJ-BZNIZROVSA-N 1 1 324.852 3.198 20 10 DGCDMO CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)[C@@H]1CCCCO1 ZINC000848567577 631695910 /nfs/dbraw/zinc/69/59/10/631695910.db2.gz ITLYIKXNYJBQMD-NUTKFTJISA-N 1 1 321.417 3.177 20 10 DGCDMO CCc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)c1O ZINC000848876393 631767138 /nfs/dbraw/zinc/76/71/38/631767138.db2.gz IGBHHWYDBVGHLY-UHFFFAOYSA-N 1 1 312.413 3.334 20 10 DGCDMO CCc1cccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1O ZINC000848882731 631769541 /nfs/dbraw/zinc/76/95/41/631769541.db2.gz ZOIVFNPSCSPKSS-SFHVURJKSA-N 1 1 324.424 3.018 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000848888294 631773114 /nfs/dbraw/zinc/77/31/14/631773114.db2.gz RGQCKOIQXGLLSD-HNNXBMFYSA-N 1 1 305.418 3.118 20 10 DGCDMO CCc1cccc(C[N@@H+]2C[C@H](CC)N(C(C)=O)C[C@H]2CC)c1O ZINC000848887871 631773151 /nfs/dbraw/zinc/77/31/51/631773151.db2.gz GXJQCMCYTUKYBP-MSOLQXFVSA-N 1 1 318.461 3.176 20 10 DGCDMO CCc1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O ZINC000848907407 631781631 /nfs/dbraw/zinc/78/16/31/631781631.db2.gz CSWWCGBLTNZREC-YZVOILCLSA-N 1 1 319.445 3.113 20 10 DGCDMO CCc1cccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000848913250 631784010 /nfs/dbraw/zinc/78/40/10/631784010.db2.gz SKYMMUGNWYXYJY-FUHWJXTLSA-N 1 1 301.430 3.488 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1O ZINC000848916894 631786854 /nfs/dbraw/zinc/78/68/54/631786854.db2.gz YNFZJHBQBRTOGV-AWEZNQCLSA-N 1 1 318.461 3.068 20 10 DGCDMO C[C@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1 ZINC000848929671 631791931 /nfs/dbraw/zinc/79/19/31/631791931.db2.gz YDDOSLUMMUBSIY-NSHDSACASA-N 1 1 316.367 3.117 20 10 DGCDMO Cc1ccc(O)c(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000849349743 631900688 /nfs/dbraw/zinc/90/06/88/631900688.db2.gz HVFJHLWZASUYGV-QZTJIDSGSA-N 1 1 314.404 3.075 20 10 DGCDMO [O-]c1ccc(Cl)cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000849350503 631900911 /nfs/dbraw/zinc/90/09/11/631900911.db2.gz OQDIMGZSTFRRFT-AWEZNQCLSA-N 1 1 308.853 3.257 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cn(C3CCC3)nn2)cc1 ZINC000850034872 632034153 /nfs/dbraw/zinc/03/41/53/632034153.db2.gz SNHRUGRTTSOFAS-UHFFFAOYSA-N 1 1 313.449 3.139 20 10 DGCDMO CC1CCN(c2ccc(C[NH2+]Cc3cc4n(n3)CCC4)cc2)CC1 ZINC000850128753 632062174 /nfs/dbraw/zinc/06/21/74/632062174.db2.gz IORXRXZPSXRJEG-UHFFFAOYSA-N 1 1 324.472 3.355 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2nccc(OC)c2F)cc1 ZINC000850380789 632132858 /nfs/dbraw/zinc/13/28/58/632132858.db2.gz MJSIWOBXXQQVSR-UHFFFAOYSA-N 1 1 317.408 3.365 20 10 DGCDMO CCOc1cccc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1O ZINC000850381914 632133891 /nfs/dbraw/zinc/13/38/91/632133891.db2.gz LBTSPZBRDBZPHC-MRXNPFEDSA-N 1 1 318.461 3.288 20 10 DGCDMO CCOc1cccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)c1O ZINC000850381914 632133895 /nfs/dbraw/zinc/13/38/95/632133895.db2.gz LBTSPZBRDBZPHC-MRXNPFEDSA-N 1 1 318.461 3.288 20 10 DGCDMO CC[C@](C)([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000850383269 632133974 /nfs/dbraw/zinc/13/39/74/632133974.db2.gz DEDYLWKKKUBGGO-IBGZPJMESA-N 1 1 301.478 3.107 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)c2ccccn2)c1 ZINC000850483272 632166152 /nfs/dbraw/zinc/16/61/52/632166152.db2.gz VQRQDSLQUIOJOI-QWHCGFSZSA-N 1 1 314.385 3.028 20 10 DGCDMO CC(=O)NCc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000850484511 632166988 /nfs/dbraw/zinc/16/69/88/632166988.db2.gz KKDBRYZTWGXALV-GFCCVEGCSA-N 1 1 316.376 3.018 20 10 DGCDMO CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000850484512 632167122 /nfs/dbraw/zinc/16/71/22/632167122.db2.gz KKDBRYZTWGXALV-LBPRGKRZSA-N 1 1 316.376 3.018 20 10 DGCDMO CC[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(F)cc1O ZINC000850534084 632183945 /nfs/dbraw/zinc/18/39/45/632183945.db2.gz GFGYWXQRNITAKY-HNNXBMFYSA-N 1 1 303.381 3.383 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C(C)(C)C2(F)F)c1 ZINC000850553204 632190926 /nfs/dbraw/zinc/19/09/26/632190926.db2.gz UAFAJBYLDWUHQA-RNCFNFMXSA-N 1 1 313.344 3.121 20 10 DGCDMO C[N@H+](CC=C(Cl)Cl)Cc1ccc(N2CCOCC2)cc1 ZINC000851716376 632473244 /nfs/dbraw/zinc/47/32/44/632473244.db2.gz LTZVXAMKNZJMIC-UHFFFAOYSA-N 1 1 315.244 3.274 20 10 DGCDMO C[N@@H+](CC=C(Cl)Cl)Cc1ccc(N2CCOCC2)cc1 ZINC000851716376 632473245 /nfs/dbraw/zinc/47/32/45/632473245.db2.gz LTZVXAMKNZJMIC-UHFFFAOYSA-N 1 1 315.244 3.274 20 10 DGCDMO CC(C)[N@@H+](CCO[C@@H]1CC1(F)F)Cc1ccc(N(C)C)cc1 ZINC000851732258 632478348 /nfs/dbraw/zinc/47/83/48/632478348.db2.gz NCGSITARHDPFQH-MRXNPFEDSA-N 1 1 312.404 3.387 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](OC)[C@H]1CCOC1 ZINC000852017973 632540469 /nfs/dbraw/zinc/54/04/69/632540469.db2.gz IGAGRPNJRWPKLW-WMZOPIPTSA-N 1 1 307.434 3.046 20 10 DGCDMO COc1ccc(OC)c(CC[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000185186548 660206595 /nfs/dbraw/zinc/20/65/95/660206595.db2.gz UTEZSDUKVBPERZ-GFCCVEGCSA-N 1 1 319.376 3.442 20 10 DGCDMO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(F)cc1O ZINC000185443423 660223318 /nfs/dbraw/zinc/22/33/18/660223318.db2.gz RPAGTPKFFQKRAK-GFCCVEGCSA-N 1 1 302.349 3.211 20 10 DGCDMO CC[C@H]([NH2+]Cc1n[nH]cc1Br)c1ccccc1O ZINC000718126280 662229927 /nfs/dbraw/zinc/22/99/27/662229927.db2.gz DJGSCLAQLAVPNE-NSHDSACASA-N 1 1 310.195 3.119 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000792776919 660983805 /nfs/dbraw/zinc/98/38/05/660983805.db2.gz KLYGKESFVHNRGL-AWEZNQCLSA-N 1 1 316.367 3.382 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@H](C)O ZINC000792810746 660986362 /nfs/dbraw/zinc/98/63/62/660986362.db2.gz XQTKRMJEOUMJRQ-LBPRGKRZSA-N 1 1 318.383 3.363 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1C(C)C ZINC000794661303 661097374 /nfs/dbraw/zinc/09/73/74/661097374.db2.gz HDJYCBQYZMVQGV-HNAYVOBHSA-N 1 1 319.445 3.204 20 10 DGCDMO CCc1cnc(C[N@H+](C)Cc2cc(OC)c(C)cc2O)s1 ZINC000160349125 655615294 /nfs/dbraw/zinc/61/52/94/655615294.db2.gz YZBWUAKXIRYJED-UHFFFAOYSA-N 1 1 306.431 3.360 20 10 DGCDMO CCc1cnc(C[N@@H+](C)Cc2cc(OC)c(C)cc2O)s1 ZINC000160349125 655615295 /nfs/dbraw/zinc/61/52/95/655615295.db2.gz YZBWUAKXIRYJED-UHFFFAOYSA-N 1 1 306.431 3.360 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(OC)c1O ZINC000156844498 655677695 /nfs/dbraw/zinc/67/76/95/655677695.db2.gz HHFVODAWKZRAFX-UHFFFAOYSA-N 1 1 314.429 3.489 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)CCc2cccs2)c1O ZINC000093269252 655696040 /nfs/dbraw/zinc/69/60/40/655696040.db2.gz HGJZBVNXMXGNRS-UHFFFAOYSA-N 1 1 307.390 3.470 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](OC)C3)c2c1 ZINC000076266330 655702983 /nfs/dbraw/zinc/70/29/83/655702983.db2.gz OTTGFRXTDBBSQE-HNNXBMFYSA-N 1 1 301.386 3.165 20 10 DGCDMO Fc1cc(C[N@H+]2CCC3(CCC3)C2)ccc1N1CCOCC1 ZINC000093455886 655740271 /nfs/dbraw/zinc/74/02/71/655740271.db2.gz FAYJUNBZBYWQQE-UHFFFAOYSA-N 1 1 304.409 3.038 20 10 DGCDMO CC[N@@H+](CCc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000179439134 655892839 /nfs/dbraw/zinc/89/28/39/655892839.db2.gz ROJWDYDOWFTPJY-UHFFFAOYSA-N 1 1 315.413 3.474 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000179582817 655909181 /nfs/dbraw/zinc/90/91/81/655909181.db2.gz ZPZHJEANIBXIGH-QGZVFWFLSA-N 1 1 310.441 3.489 20 10 DGCDMO C[C@@H]1CCN(Cc2ccccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000179582817 655909183 /nfs/dbraw/zinc/90/91/83/655909183.db2.gz ZPZHJEANIBXIGH-QGZVFWFLSA-N 1 1 310.441 3.489 20 10 DGCDMO C[C@@H]1CCN(Cc2ccccc2O)CC[N@H+]1Cc1ccccc1 ZINC000179582817 655909185 /nfs/dbraw/zinc/90/91/85/655909185.db2.gz ZPZHJEANIBXIGH-QGZVFWFLSA-N 1 1 310.441 3.489 20 10 DGCDMO C[C@@H]1CSCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000179664086 655911002 /nfs/dbraw/zinc/91/10/02/655911002.db2.gz QTWWDVWLRNPXTH-SECBINFHSA-N 1 1 302.237 3.092 20 10 DGCDMO C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000182971847 656109378 /nfs/dbraw/zinc/10/93/78/656109378.db2.gz FJNRAFXBADWDQD-HNNXBMFYSA-N 1 1 313.397 3.192 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000182971847 656109379 /nfs/dbraw/zinc/10/93/79/656109379.db2.gz FJNRAFXBADWDQD-HNNXBMFYSA-N 1 1 313.397 3.192 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1ccc(F)cc1O ZINC000186230444 656130872 /nfs/dbraw/zinc/13/08/72/656130872.db2.gz PPHNPOOGVAFVOZ-TZMCWYRMSA-N 1 1 309.381 3.258 20 10 DGCDMO Cn1cncc1CC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000297569089 656178616 /nfs/dbraw/zinc/17/86/16/656178616.db2.gz CSSHXHCJCPJGRL-UHFFFAOYSA-N 1 1 312.461 3.085 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2CCOc3ccccc3C2)c1O ZINC000317476795 656620110 /nfs/dbraw/zinc/62/01/10/656620110.db2.gz DCMQAPNEGGUIAN-UHFFFAOYSA-N 1 1 319.788 3.449 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCOc3ccccc3C2)c1O ZINC000317476795 656620115 /nfs/dbraw/zinc/62/01/15/656620115.db2.gz DCMQAPNEGGUIAN-UHFFFAOYSA-N 1 1 319.788 3.449 20 10 DGCDMO COCC(C)(C)[N@H+](C)Cc1cccc(Br)c1O ZINC000310228208 656812139 /nfs/dbraw/zinc/81/21/39/656812139.db2.gz IVUYYOUZXRXRSR-UHFFFAOYSA-N 1 1 302.212 3.012 20 10 DGCDMO COCC(C)(C)[N@@H+](C)Cc1cccc(Br)c1O ZINC000310228208 656812140 /nfs/dbraw/zinc/81/21/40/656812140.db2.gz IVUYYOUZXRXRSR-UHFFFAOYSA-N 1 1 302.212 3.012 20 10 DGCDMO CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000320265945 656939254 /nfs/dbraw/zinc/93/92/54/656939254.db2.gz SFWDBWHUAWPGOQ-LJQANCHMSA-N 1 1 315.505 3.497 20 10 DGCDMO COc1ccccc1C[NH2+]Cc1cccc(Br)c1O ZINC000048794592 657301083 /nfs/dbraw/zinc/30/10/83/657301083.db2.gz FPEGMHVHIDLXIK-UHFFFAOYSA-N 1 1 322.202 3.453 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000302992391 657506286 /nfs/dbraw/zinc/50/62/86/657506286.db2.gz FGSXZEIUWKYGCG-YOEHRIQHSA-N 1 1 314.404 3.456 20 10 DGCDMO CCC[N@H+](CC(=O)OCc1ccccc1)Cc1ccccc1O ZINC000303414723 657535662 /nfs/dbraw/zinc/53/56/62/657535662.db2.gz VXGRKSHACUDGKT-UHFFFAOYSA-N 1 1 313.397 3.348 20 10 DGCDMO CCC[N@@H+](CC(=O)OCc1ccccc1)Cc1ccccc1O ZINC000303414723 657535670 /nfs/dbraw/zinc/53/56/70/657535670.db2.gz VXGRKSHACUDGKT-UHFFFAOYSA-N 1 1 313.397 3.348 20 10 DGCDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000305251154 657697785 /nfs/dbraw/zinc/69/77/85/657697785.db2.gz KEMMOOLRUYONFP-SWLSCSKDSA-N 1 1 307.434 3.131 20 10 DGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)COC ZINC000097989741 657700570 /nfs/dbraw/zinc/70/05/70/657700570.db2.gz HRWPPNZLFFQABJ-JTQLQIEISA-N 1 1 302.212 3.012 20 10 DGCDMO CC[N@H+](Cc1cc(OC)ccc1O)C[C@H](O)c1ccc(C)cc1 ZINC000305779367 658042943 /nfs/dbraw/zinc/04/29/43/658042943.db2.gz NFPJMUAGDLKDTE-IBGZPJMESA-N 1 1 315.413 3.265 20 10 DGCDMO Cc1cccc(N2CC[NH+](Cc3cccc(F)c3O)CC2)c1C ZINC000321657590 658143649 /nfs/dbraw/zinc/14/36/49/658143649.db2.gz NMGYIRWODSIDQY-UHFFFAOYSA-N 1 1 314.404 3.470 20 10 DGCDMO C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(F)cc1O ZINC000170788792 659238356 /nfs/dbraw/zinc/23/83/56/659238356.db2.gz CEAGYDRWXWTVPX-LBPRGKRZSA-N 1 1 317.360 3.196 20 10 DGCDMO COCCCCC[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000171499665 659283558 /nfs/dbraw/zinc/28/35/58/659283558.db2.gz DKZZDIUZLLOECH-UHFFFAOYSA-N 1 1 306.450 3.024 20 10 DGCDMO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)Cc1ccccc1O ZINC000171937046 659307826 /nfs/dbraw/zinc/30/78/26/659307826.db2.gz DVOWYCLTICWYSH-LLVKDONJSA-N 1 1 320.339 3.129 20 10 DGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1O ZINC000246120492 659884985 /nfs/dbraw/zinc/88/49/85/659884985.db2.gz KHKWTVBPNFIPAH-ZJUUUORDSA-N 1 1 314.223 3.394 20 10 DGCDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179565567 659933638 /nfs/dbraw/zinc/93/36/38/659933638.db2.gz FDHDCEMRGTZWAO-KRWDZBQOSA-N 1 1 318.461 3.301 20 10 DGCDMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000179564122 659933791 /nfs/dbraw/zinc/93/37/91/659933791.db2.gz IIIZEJDNCIWXCU-HNNXBMFYSA-N 1 1 320.433 3.271 20 10 DGCDMO CCN(Cc1ccccc1)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000179949930 659947430 /nfs/dbraw/zinc/94/74/30/659947430.db2.gz NGYNXJYKWXSSTF-HXUWFJFHSA-N 1 1 310.441 3.280 20 10 DGCDMO Cc1cccc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c1O ZINC000180028330 659949581 /nfs/dbraw/zinc/94/95/81/659949581.db2.gz GGGRTWOKWLRUDF-UHFFFAOYSA-N 1 1 320.339 3.049 20 10 DGCDMO Cc1cccc(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c1O ZINC000180028330 659949583 /nfs/dbraw/zinc/94/95/83/659949583.db2.gz GGGRTWOKWLRUDF-UHFFFAOYSA-N 1 1 320.339 3.049 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1O ZINC000180170495 659954040 /nfs/dbraw/zinc/95/40/40/659954040.db2.gz RJEJZWCDUFZETD-OAHLLOKOSA-N 1 1 318.461 3.075 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nc(C(C)C)no2)c1 ZINC000182431989 660051752 /nfs/dbraw/zinc/05/17/52/660051752.db2.gz LEOVLLKSAJRRHR-QWRGUYRKSA-N 1 1 305.378 3.319 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nc(C(C)C)no2)c1 ZINC000182432007 660051793 /nfs/dbraw/zinc/05/17/93/660051793.db2.gz LEOVLLKSAJRRHR-GHMZBOCLSA-N 1 1 305.378 3.319 20 10 DGCDMO CCC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CC[NH2+]C1 ZINC000071314543 660113577 /nfs/dbraw/zinc/11/35/77/660113577.db2.gz JYQRUJJGERNLDS-LBPRGKRZSA-N 1 1 303.233 3.273 20 10 DGCDMO CCC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CC[NH2+]C1 ZINC000071314543 660113578 /nfs/dbraw/zinc/11/35/78/660113578.db2.gz JYQRUJJGERNLDS-LBPRGKRZSA-N 1 1 303.233 3.273 20 10 DGCDMO CCOC(=O)C[N@H+](CCCC(C)(F)F)Cc1ccccc1O ZINC000930762565 661427925 /nfs/dbraw/zinc/42/79/25/661427925.db2.gz AHIDPBYJWDOKEX-UHFFFAOYSA-N 1 1 315.360 3.193 20 10 DGCDMO CCOC(=O)C[N@@H+](CCCC(C)(F)F)Cc1ccccc1O ZINC000930762565 661427926 /nfs/dbraw/zinc/42/79/26/661427926.db2.gz AHIDPBYJWDOKEX-UHFFFAOYSA-N 1 1 315.360 3.193 20 10 DGCDMO CCOC(=O)c1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)o1 ZINC000156471450 661863133 /nfs/dbraw/zinc/86/31/33/661863133.db2.gz NPSLCPIFNXSJCJ-UHFFFAOYSA-N 1 1 316.401 3.154 20 10 DGCDMO CCCn1cc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)cn1 ZINC000156842576 661865244 /nfs/dbraw/zinc/86/52/44/661865244.db2.gz ZIVXVDYIZDWTNG-UHFFFAOYSA-N 1 1 300.450 3.381 20 10 DGCDMO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](CCC)Cc1ccccc1O ZINC000076074410 661966692 /nfs/dbraw/zinc/96/66/92/661966692.db2.gz TVLNVRNFBVTWNR-GJZGRUSLSA-N 1 1 306.450 3.298 20 10 DGCDMO CN(C)c1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000192920194 662116036 /nfs/dbraw/zinc/11/60/36/662116036.db2.gz IXLSBLCQJOEHIM-FQEVSTJZSA-N 1 1 323.484 3.364 20 10 DGCDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1O ZINC000083171169 662194451 /nfs/dbraw/zinc/19/44/51/662194451.db2.gz XCGNXWRNRMPFPD-UHFFFAOYSA-N 1 1 313.313 3.074 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cc1C ZINC000245751811 662240296 /nfs/dbraw/zinc/24/02/96/662240296.db2.gz XUYOHLUAQUPIFE-ZDUSSCGKSA-N 1 1 316.367 3.077 20 10 DGCDMO CCC[N@@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)Cc1ccccc1O ZINC000246166473 662249487 /nfs/dbraw/zinc/24/94/87/662249487.db2.gz BSZIVUABQAQARJ-HZPDHXFCSA-N 1 1 318.461 3.109 20 10 DGCDMO COCCCOCC[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000091026203 662290061 /nfs/dbraw/zinc/29/00/61/662290061.db2.gz LGVJWWGYGFZWEY-UHFFFAOYSA-N 1 1 303.402 3.030 20 10 DGCDMO COc1ccccc1OCC[N@@H+](C)Cc1cc(C)ccc1O ZINC000091900159 662324663 /nfs/dbraw/zinc/32/46/63/662324663.db2.gz FZRBCRMLKVHXOJ-UHFFFAOYSA-N 1 1 301.386 3.220 20 10 DGCDMO Fc1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)ccc1N1CCOCC1 ZINC000092709651 662334415 /nfs/dbraw/zinc/33/44/15/662334415.db2.gz CLSZLDCXKNSBRG-WMZOPIPTSA-N 1 1 318.436 3.427 20 10 DGCDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092935874 662339907 /nfs/dbraw/zinc/33/99/07/662339907.db2.gz KWGBKOQGMISEDY-UHFFFAOYSA-N 1 1 318.392 3.277 20 10 DGCDMO Cc1cc(O)c(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)cc1C ZINC000093360166 662353876 /nfs/dbraw/zinc/35/38/76/662353876.db2.gz POOBFNDAAOURME-CQSZACIVSA-N 1 1 322.449 3.354 20 10 DGCDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093813494 662359712 /nfs/dbraw/zinc/35/97/12/662359712.db2.gz GZFUSLSNYUKHGW-IBGZPJMESA-N 1 1 316.445 3.062 20 10 DGCDMO CCOc1cccc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)c1O ZINC000174662931 685106437 /nfs/dbraw/zinc/10/64/37/685106437.db2.gz WILKPEFQJKEELE-LLVKDONJSA-N 1 1 319.405 3.322 20 10 DGCDMO CN(CCC[NH2+][C@H]1CCc2cccc(O)c21)Cc1ccccc1 ZINC000381800247 685160122 /nfs/dbraw/zinc/16/01/22/685160122.db2.gz SFRKKIRVMHKPAX-SFHVURJKSA-N 1 1 310.441 3.491 20 10 DGCDMO Nc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390750408 685205256 /nfs/dbraw/zinc/20/52/56/685205256.db2.gz SBSYBBMFSKNFQO-SFHVURJKSA-N 1 1 324.428 3.055 20 10 DGCDMO Cc1cc(Br)cc(C[N@@H+]2CCCOC[C@H]2C)c1O ZINC000398899437 685238258 /nfs/dbraw/zinc/23/82/58/685238258.db2.gz CQUWIIOAAPRXBW-LLVKDONJSA-N 1 1 314.223 3.074 20 10 DGCDMO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(N)cc3)n2)c1 ZINC001579255362 1191970853 /nfs/dbraw/zinc/97/08/53/1191970853.db2.gz SYPOXSCKCHCBGO-GFCCVEGCSA-N 1 1 324.384 3.178 20 10 DGCDMO Cc1cc([O-])c(C[NH2+][C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)cc1Cl ZINC001579637976 1191983477 /nfs/dbraw/zinc/98/34/77/1191983477.db2.gz LIPXYWIRYSDGOU-VBNZEHGJSA-N 1 1 308.853 3.220 20 10 DGCDMO COc1ccc(CNc2ccc3c(c2)[nH+]cn3C)c(F)c1OC ZINC001620840550 1192439554 /nfs/dbraw/zinc/43/95/54/1192439554.db2.gz HZRIQUCUODYFEA-UHFFFAOYSA-N 1 1 315.348 3.342 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C/C=C\c3ccccc3)cc2)CC1 ZINC001620877992 1192521340 /nfs/dbraw/zinc/52/13/40/1192521340.db2.gz WDIYOAORRYAEJE-YVMONPNESA-N 1 1 321.468 3.241 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C/C=C/c3ccccc3)cc2)CC1 ZINC001620877991 1192521655 /nfs/dbraw/zinc/52/16/55/1192521655.db2.gz WDIYOAORRYAEJE-VMPITWQZSA-N 1 1 321.468 3.241 20 10 DGCDMO CCCC[N@H+](C)C[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC001620956334 1192652303 /nfs/dbraw/zinc/65/23/03/1192652303.db2.gz ROEVFFMOISEHPQ-JJEJIETFSA-N 1 1 303.494 3.476 20 10 DGCDMO CCCC[N@@H+](C)C[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC001620956334 1192652307 /nfs/dbraw/zinc/65/23/07/1192652307.db2.gz ROEVFFMOISEHPQ-JJEJIETFSA-N 1 1 303.494 3.476 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](c3nccs3)C1)CCC2 ZINC001331494027 1178226448 /nfs/dbraw/zinc/22/64/48/1178226448.db2.gz YZBGUOGQFKYVLW-CQSZACIVSA-N 1 1 300.427 3.327 20 10 DGCDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC001333763492 1178668797 /nfs/dbraw/zinc/66/87/97/1178668797.db2.gz FBKZFZBLVWXWTR-HNNXBMFYSA-N 1 1 316.401 3.388 20 10 DGCDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(N)cc2)c(C)c1 ZINC001334754833 1178791979 /nfs/dbraw/zinc/79/19/79/1178791979.db2.gz SQANLPUBEOCFPW-UHFFFAOYSA-N 1 1 311.429 3.265 20 10 DGCDMO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc(N)cc2)c(C)c1 ZINC001334754833 1178791985 /nfs/dbraw/zinc/79/19/85/1178791985.db2.gz SQANLPUBEOCFPW-UHFFFAOYSA-N 1 1 311.429 3.265 20 10 DGCDMO Nc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1 ZINC001336117997 1178995146 /nfs/dbraw/zinc/99/51/46/1178995146.db2.gz UJVCCYSJIDEEKG-LJQANCHMSA-N 1 1 323.440 3.053 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCCC[C@@H]1O ZINC001341944715 1179082987 /nfs/dbraw/zinc/08/29/87/1179082987.db2.gz KPYFMDXQPHOADB-HKUYNNGSSA-N 1 1 302.462 3.270 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccnc1N(C)C ZINC001347131001 1179781632 /nfs/dbraw/zinc/78/16/32/1179781632.db2.gz YAXRSUGVYBTVQH-UHFFFAOYSA-N 1 1 312.461 3.236 20 10 DGCDMO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C)cc1O ZINC001621319064 1193023524 /nfs/dbraw/zinc/02/35/24/1193023524.db2.gz VXKOAIJVGIDJII-MRXNPFEDSA-N 1 1 320.433 3.191 20 10 DGCDMO CCOC(=O)C[N@@H+](Cc1ccc(N(C)C)c(C)c1)CC(C)C ZINC001459420344 1182586684 /nfs/dbraw/zinc/58/66/84/1182586684.db2.gz SAJZWFFHHFAVSG-UHFFFAOYSA-N 1 1 306.450 3.082 20 10 DGCDMO CCOC(=O)C[N@H+](Cc1ccc(N(C)C)c(C)c1)CC(C)C ZINC001459420344 1182586687 /nfs/dbraw/zinc/58/66/87/1182586687.db2.gz SAJZWFFHHFAVSG-UHFFFAOYSA-N 1 1 306.450 3.082 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC[C@H](O)C1CCCC1 ZINC001461700184 1182844678 /nfs/dbraw/zinc/84/46/78/1182844678.db2.gz RXOHQNIUELGLMQ-ZDUSSCGKSA-N 1 1 301.789 3.216 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC001461700183 1182844839 /nfs/dbraw/zinc/84/48/39/1182844839.db2.gz RXOHQNIUELGLMQ-CYBMUJFWSA-N 1 1 301.789 3.216 20 10 DGCDMO C[C@H](c1ccccc1)[N@H+](CCO)Cc1cc(F)cc(F)c1O ZINC001461955317 1182885753 /nfs/dbraw/zinc/88/57/53/1182885753.db2.gz CMTHKELFZBRZPZ-GFCCVEGCSA-N 1 1 307.340 3.226 20 10 DGCDMO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1cc(F)cc(F)c1O ZINC001461955317 1182885758 /nfs/dbraw/zinc/88/57/58/1182885758.db2.gz CMTHKELFZBRZPZ-GFCCVEGCSA-N 1 1 307.340 3.226 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2c(C)ccnc2N)cc1 ZINC001462006497 1182895062 /nfs/dbraw/zinc/89/50/62/1182895062.db2.gz CLOOLXMNAITRIT-UHFFFAOYSA-N 1 1 312.461 3.450 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](OCCC(C)C)C2)c(O)c1 ZINC001462465992 1182956613 /nfs/dbraw/zinc/95/66/13/1182956613.db2.gz HOWGLLBABJPIES-OAHLLOKOSA-N 1 1 307.434 3.346 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC001462521136 1182963811 /nfs/dbraw/zinc/96/38/11/1182963811.db2.gz HWZALVIRWUQRAZ-VHSXEESVSA-N 1 1 301.814 3.370 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC001462521136 1182963813 /nfs/dbraw/zinc/96/38/13/1182963813.db2.gz HWZALVIRWUQRAZ-VHSXEESVSA-N 1 1 301.814 3.370 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001462588483 1182972960 /nfs/dbraw/zinc/97/29/60/1182972960.db2.gz FWHLHJSFNAMJGK-VXGBXAGGSA-N 1 1 308.378 3.177 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001462588483 1182972964 /nfs/dbraw/zinc/97/29/64/1182972964.db2.gz FWHLHJSFNAMJGK-VXGBXAGGSA-N 1 1 308.378 3.177 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](CC[C@@H]2COC(C)(C)O2)C2CC2)cc1 ZINC001473114797 1183717534 /nfs/dbraw/zinc/71/75/34/1183717534.db2.gz HQCZPBNQGXJHLT-GOSISDBHSA-N 1 1 318.461 3.259 20 10 DGCDMO Cc1cc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)ccc1N(C)C ZINC001653490096 1195728274 /nfs/dbraw/zinc/72/82/74/1195728274.db2.gz CNSRHURIIOAPJJ-IBGZPJMESA-N 1 1 304.478 3.434 20 10 DGCDMO CC[NH+](CC)CC[C@@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC001474305087 1183901141 /nfs/dbraw/zinc/90/11/41/1183901141.db2.gz FLTAULBRDRIGNG-XZVRFQMRSA-N 1 1 303.494 3.476 20 10 DGCDMO COC(=O)C[N@H+](C/C=C\c1ccc(N(C)C)cc1)C1CCCC1 ZINC001474345911 1183907339 /nfs/dbraw/zinc/90/73/39/1183907339.db2.gz XIWVWNHWIUZRCB-SREVYHEPSA-N 1 1 316.445 3.183 20 10 DGCDMO COC(=O)C[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C1CCCC1 ZINC001474345911 1183907341 /nfs/dbraw/zinc/90/73/41/1183907341.db2.gz XIWVWNHWIUZRCB-SREVYHEPSA-N 1 1 316.445 3.183 20 10 DGCDMO COc1cc(C)c(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c(O)c1 ZINC001474350739 1183909402 /nfs/dbraw/zinc/90/94/02/1183909402.db2.gz OYULHLIQGSYOAK-HNNXBMFYSA-N 1 1 306.450 3.015 20 10 DGCDMO COc1cc(C)c(CN(C)CC[C@@H]2CCCC[N@H+]2C)c(O)c1 ZINC001474350739 1183909407 /nfs/dbraw/zinc/90/94/07/1183909407.db2.gz OYULHLIQGSYOAK-HNNXBMFYSA-N 1 1 306.450 3.015 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001474435227 1183922374 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/nfs/dbraw/zinc/00/93/83/1197009383.db2.gz FHMOPXZQTPWZGL-XZXOBPBMSA-N 1 1 302.462 3.393 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)cc1F ZINC001665471855 1197142004 /nfs/dbraw/zinc/14/20/04/1197142004.db2.gz YHLXZTHZHYUYCQ-DGCLKSJQSA-N 1 1 312.429 3.216 20 10 DGCDMO Oc1c(F)cccc1C[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001665916517 1197216682 /nfs/dbraw/zinc/21/66/82/1197216682.db2.gz ZKNJDAJZOFVELY-KRWDZBQOSA-N 1 1 301.361 3.495 20 10 DGCDMO Oc1c(F)cccc1C[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001665916517 1197216684 /nfs/dbraw/zinc/21/66/84/1197216684.db2.gz ZKNJDAJZOFVELY-KRWDZBQOSA-N 1 1 301.361 3.495 20 10 DGCDMO C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001593267694 994591452 /nfs/dbraw/zinc/59/14/52/994591452.db2.gz RAPALNWJVLTPSJ-KBPBESRZSA-N 1 1 320.433 3.006 20 10 DGCDMO CCC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@H](C)C(=O)OCC ZINC001169932978 1081679296 /nfs/dbraw/zinc/67/92/96/1081679296.db2.gz FVOUOUNKJOERSL-OAHLLOKOSA-N 1 1 306.450 3.225 20 10 DGCDMO C[N@@H+](CCCC(=O)c1cccnc1)Cc1cc(F)ccc1O ZINC001140054924 1081766169 /nfs/dbraw/zinc/76/61/69/1081766169.db2.gz AFTHWYPUUARBMC-UHFFFAOYSA-N 1 1 302.349 3.021 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC001140178349 1081936238 /nfs/dbraw/zinc/93/62/38/1081936238.db2.gz JDGLEGUJSDXFDR-HNNXBMFYSA-N 1 1 317.351 3.288 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c1O ZINC001140178533 1081936876 /nfs/dbraw/zinc/93/68/76/1081936876.db2.gz NQZCCWBXKNNRFC-IUODEOHRSA-N 1 1 317.351 3.144 20 10 DGCDMO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(Cl)cc2O)c1 ZINC001140465214 1082272891 /nfs/dbraw/zinc/27/28/91/1082272891.db2.gz IMMAYAHCGFETQQ-UHFFFAOYSA-N 1 1 319.788 3.464 20 10 DGCDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC/C=C\c1ccc(N(C)C)cc1 ZINC001648914657 1082420455 /nfs/dbraw/zinc/42/04/55/1082420455.db2.gz WZVXPLKZHCFKQL-JJEILDCCSA-N 1 1 315.505 3.476 20 10 DGCDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC/C=C\c1ccc(N(C)C)cc1 ZINC001648914657 1082420458 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C[NH+]1CCN(c2ccc(Nc3ccc(N)cc3)cc2Cl)CC1 ZINC001159505126 1088370367 /nfs/dbraw/zinc/37/03/67/1088370367.db2.gz UCYLYEOZDZZHNC-UHFFFAOYSA-N 1 1 316.836 3.418 20 10 DGCDMO CCc1ccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)o1 ZINC001204389100 1088543349 /nfs/dbraw/zinc/54/33/49/1088543349.db2.gz JNQOKNFQEJSJQW-UHFFFAOYSA-N 1 1 300.402 3.173 20 10 DGCDMO C[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2O)CC[C@@]1(C)O ZINC001236792618 1089863578 /nfs/dbraw/zinc/86/35/78/1089863578.db2.gz GEJONENKFSAQHU-LKFCYVNXSA-N 1 1 304.217 3.292 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CC[C@@]1(C)O ZINC001236792618 1089863590 /nfs/dbraw/zinc/86/35/90/1089863590.db2.gz GEJONENKFSAQHU-LKFCYVNXSA-N 1 1 304.217 3.292 20 10 DGCDMO C[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)[C@H]1CO ZINC001237077703 1090283558 /nfs/dbraw/zinc/28/35/58/1090283558.db2.gz JNDADOPHGALDSG-SKDRFNHKSA-N 1 1 304.217 3.292 20 10 DGCDMO C[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)[C@H]1CO ZINC001237077703 1090283564 /nfs/dbraw/zinc/28/35/64/1090283564.db2.gz JNDADOPHGALDSG-SKDRFNHKSA-N 1 1 304.217 3.292 20 10 DGCDMO NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC001203558501 1090755765 /nfs/dbraw/zinc/75/57/65/1090755765.db2.gz LFKVYTHCNJZIKO-HKUYNNGSSA-N 1 1 324.424 3.016 20 10 DGCDMO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccccc1O ZINC001203561711 1090757189 /nfs/dbraw/zinc/75/71/89/1090757189.db2.gz YJHKDAJWZBXCOC-DZGCQCFKSA-N 1 1 320.433 3.270 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@H]2COCc2ccccc2)c1O ZINC001203595807 1090764519 /nfs/dbraw/zinc/76/45/19/1090764519.db2.gz NUTUOYDWMHKURY-KRWDZBQOSA-N 1 1 313.397 3.192 20 10 DGCDMO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2)c1O ZINC001203608983 1090766317 /nfs/dbraw/zinc/76/63/17/1090766317.db2.gz DNZWDNXWGRUCBY-QGZVFWFLSA-N 1 1 318.461 3.241 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCC[C@@H]2CN2CCCC2)c1O ZINC001203608983 1090766321 /nfs/dbraw/zinc/76/63/21/1090766321.db2.gz DNZWDNXWGRUCBY-QGZVFWFLSA-N 1 1 318.461 3.241 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)CCc2cccc(OC)c2)c1O ZINC001203608936 1090766410 /nfs/dbraw/zinc/76/64/10/1090766410.db2.gz BIBPOGQILDMSLB-UHFFFAOYSA-N 1 1 315.413 3.474 20 10 DGCDMO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC001203651789 1090773793 /nfs/dbraw/zinc/77/37/93/1090773793.db2.gz VMNGSBIFVYGAEE-VXGBXAGGSA-N 1 1 323.742 3.181 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001203657353 1090774520 /nfs/dbraw/zinc/77/45/20/1090774520.db2.gz CUVJWTCKINBCDX-FUHWJXTLSA-N 1 1 317.816 3.224 20 10 DGCDMO Cc1cccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC001203665691 1090775544 /nfs/dbraw/zinc/77/55/44/1090775544.db2.gz UKFGSAAOTLPDII-HNNXBMFYSA-N 1 1 318.804 3.402 20 10 DGCDMO CC[N@@H+](CCc1ccc(OC)cc1)Cc1cc(OC)ccc1O ZINC001203680913 1090779000 /nfs/dbraw/zinc/77/90/00/1090779000.db2.gz JMDLFIYLDHGCRP-UHFFFAOYSA-N 1 1 315.413 3.474 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)CCC(=O)c2cccs2)c1 ZINC001203680226 1090779173 /nfs/dbraw/zinc/77/91/73/1090779173.db2.gz MOUWBFCDJCXEKM-UHFFFAOYSA-N 1 1 305.399 3.167 20 10 DGCDMO Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(O)c(O)c3)C2)cc1 ZINC001203878629 1090825615 /nfs/dbraw/zinc/82/56/15/1090825615.db2.gz ITOBYQOIGSILJT-QGZVFWFLSA-N 1 1 313.397 3.450 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc1 ZINC001203929555 1090841904 /nfs/dbraw/zinc/84/19/04/1090841904.db2.gz GCSBAIARLYYDBJ-TZMCWYRMSA-N 1 1 304.331 3.332 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCCC2)cc1 ZINC001203934568 1090842768 /nfs/dbraw/zinc/84/27/68/1090842768.db2.gz WXSLHULLKSKQTN-IBGZPJMESA-N 1 1 301.478 3.203 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2CN2CCCC2)cc1 ZINC001203934568 1090842777 /nfs/dbraw/zinc/84/27/77/1090842777.db2.gz WXSLHULLKSKQTN-IBGZPJMESA-N 1 1 301.478 3.203 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@](C)(C(=O)OC)C2)cc1 ZINC001203942457 1090845516 /nfs/dbraw/zinc/84/55/16/1090845516.db2.gz RBURGTZZMXWXRS-LJQANCHMSA-N 1 1 318.461 3.308 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2C[C@H](CO)C[C@H](F)C2)c2ccccc21 ZINC001204232396 1090929129 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Cc1n[nH]cc1C1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001205773388 1091341040 /nfs/dbraw/zinc/34/10/40/1091341040.db2.gz LYTXTTMXILDQBV-UHFFFAOYSA-N 1 1 307.344 3.082 20 10 DGCDMO C[C@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806310 1091357788 /nfs/dbraw/zinc/35/77/88/1091357788.db2.gz TWRVAYNAJJENEU-RDJZCZTQSA-N 1 1 311.473 3.465 20 10 DGCDMO C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806310 1091357826 /nfs/dbraw/zinc/35/78/26/1091357826.db2.gz TWRVAYNAJJENEU-RDJZCZTQSA-N 1 1 311.473 3.465 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1cnc3[nH]ccc3c1Cl)CC2 ZINC001138933615 1091382238 /nfs/dbraw/zinc/38/22/38/1091382238.db2.gz GYOKSQYIUVJYIM-UHFFFAOYSA-N 1 1 313.788 3.432 20 10 DGCDMO CCN(CC)c1ccc(CN2CCC[C@@H](C[NH3+])[C@@H]2C)c(OC)c1 ZINC001205901321 1091400200 /nfs/dbraw/zinc/40/02/00/1091400200.db2.gz CMBSGPATONBLJS-HOTGVXAUSA-N 1 1 319.493 3.101 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206163892 1091516597 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CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@](F)(CN)C2)c1O ZINC001206360740 1091597653 /nfs/dbraw/zinc/59/76/53/1091597653.db2.gz AGRHZKLICGMJTH-SFHVURJKSA-N 1 1 308.441 3.343 20 10 DGCDMO CC(C)(C)c1cccc(C[N@H+]2CCCC[C@](F)(CN)C2)c1O ZINC001206360740 1091597660 /nfs/dbraw/zinc/59/76/60/1091597660.db2.gz AGRHZKLICGMJTH-SFHVURJKSA-N 1 1 308.441 3.343 20 10 DGCDMO Cc1cc(C[N@@H+](CCO)Cc2cccs2)ccc1N(C)C ZINC001139672096 1091637464 /nfs/dbraw/zinc/63/74/64/1091637464.db2.gz TUCQBJOAYRUQFO-UHFFFAOYSA-N 1 1 304.459 3.117 20 10 DGCDMO Cc1cc(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)ccc1N(C)C ZINC001139674607 1091639845 /nfs/dbraw/zinc/63/98/45/1091639845.db2.gz XQOCSZSKSDVLID-SFHVURJKSA-N 1 1 310.441 3.497 20 10 DGCDMO Cc1cc(C[N@@H+]2CCc3cnc(C4CC4)nc3C2)ccc1N(C)C ZINC001139674626 1091640091 /nfs/dbraw/zinc/64/00/91/1091640091.db2.gz YOHGXDYHWCXTKC-UHFFFAOYSA-N 1 1 322.456 3.287 20 10 DGCDMO Cc1cc(C[N@H+]2CCc3cnc(C4CC4)nc3C2)ccc1N(C)C ZINC001139674626 1091640094 /nfs/dbraw/zinc/64/00/94/1091640094.db2.gz YOHGXDYHWCXTKC-UHFFFAOYSA-N 1 1 322.456 3.287 20 10 DGCDMO C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001206572099 1091673055 /nfs/dbraw/zinc/67/30/55/1091673055.db2.gz ASWRQTKKGXMJIC-OAHLLOKOSA-N 1 1 300.805 3.136 20 10 DGCDMO COCc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)s1 ZINC001139831631 1091682256 /nfs/dbraw/zinc/68/22/56/1091682256.db2.gz WLSVFJWENBMPNN-UHFFFAOYSA-N 1 1 319.426 3.254 20 10 DGCDMO Oc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c(Cl)c1 ZINC001140083389 1091761828 /nfs/dbraw/zinc/76/18/28/1091761828.db2.gz NKOFYOPMGAQHJU-UHFFFAOYSA-N 1 1 319.788 3.405 20 10 DGCDMO Oc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c(Cl)c1 ZINC001140083389 1091761834 /nfs/dbraw/zinc/76/18/34/1091761834.db2.gz NKOFYOPMGAQHJU-UHFFFAOYSA-N 1 1 319.788 3.405 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@H](Oc3cccnc3)C2)c1O ZINC001140179714 1091791771 /nfs/dbraw/zinc/79/17/71/1091791771.db2.gz NBPOSGJEDIOBRO-KRWDZBQOSA-N 1 1 312.413 3.447 20 10 DGCDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3c(C)ccc(C)c3O)C2)no1 ZINC001140178301 1091792442 /nfs/dbraw/zinc/79/24/42/1091792442.db2.gz HKIQVCLREAAZQB-CQSZACIVSA-N 1 1 301.390 3.080 20 10 DGCDMO Cc1ccc(C)c(C[N@@H+]2CCc3nc(Cl)ncc3C2)c1O ZINC001140182264 1091792966 /nfs/dbraw/zinc/79/29/66/1091792966.db2.gz NAQIUUKYYPDMCY-UHFFFAOYSA-N 1 1 303.793 3.011 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CCc3nc(Cl)ncc3C2)c1O ZINC001140182264 1091792971 /nfs/dbraw/zinc/79/29/71/1091792971.db2.gz NAQIUUKYYPDMCY-UHFFFAOYSA-N 1 1 303.793 3.011 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1O ZINC001140181154 1091793118 /nfs/dbraw/zinc/79/31/18/1091793118.db2.gz ROKQBBHILDEMOJ-RBUKOAKNSA-N 1 1 311.425 3.187 20 10 DGCDMO Cc1ccc(C)c(C[N@@H+](C)CCCC(=O)c2cccnc2)c1O ZINC001140182090 1091793141 /nfs/dbraw/zinc/79/31/41/1091793141.db2.gz ILYJXNXSRRXJMS-UHFFFAOYSA-N 1 1 312.413 3.499 20 10 DGCDMO CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001140180072 1091793174 /nfs/dbraw/zinc/79/31/74/1091793174.db2.gz BIUSFTQJVMYIOQ-QFBILLFUSA-N 1 1 319.445 3.169 20 10 DGCDMO CCOC(=O)[C@H]1CCCC[N@@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140183807 1091793281 /nfs/dbraw/zinc/79/32/81/1091793281.db2.gz JACTVRSUIWKFSM-HNNXBMFYSA-N 1 1 305.418 3.174 20 10 DGCDMO CCOC(=O)C[C@H]1CC[N@@H+](Cc2c(C)ccc(C)c2O)C[C@H]1C ZINC001140184854 1091795603 /nfs/dbraw/zinc/79/56/03/1091795603.db2.gz IKTOUJSHEWQWBA-HZPDHXFCSA-N 1 1 319.445 3.420 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C2(CC2)C1 ZINC001140288463 1091816614 /nfs/dbraw/zinc/81/66/14/1091816614.db2.gz TZYZXZJBGNIAHE-OAHLLOKOSA-N 1 1 300.446 3.022 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCCCC34CC4)cc2)CC1 ZINC001140287038 1091816701 /nfs/dbraw/zinc/81/67/01/1091816701.db2.gz DJNBEHYBTVQQET-UHFFFAOYSA-N 1 1 300.446 3.166 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCCC4(CCC4)C3)cc2)CC1 ZINC001140287454 1091817186 /nfs/dbraw/zinc/81/71/86/1091817186.db2.gz SYCZDLPNBVZCEP-UHFFFAOYSA-N 1 1 314.473 3.414 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001140342365 1091835085 /nfs/dbraw/zinc/83/50/85/1091835085.db2.gz GODVMMRZRARDEC-CQSZACIVSA-N 1 1 318.804 3.484 20 10 DGCDMO C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)c(F)cc1[O-] ZINC001207302204 1091917477 /nfs/dbraw/zinc/91/74/77/1091917477.db2.gz NFMGUYDJDUQXAF-UHFFFAOYSA-N 1 1 312.404 3.368 20 10 DGCDMO C[C@]1(F)CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660438 1091949726 /nfs/dbraw/zinc/94/97/26/1091949726.db2.gz RQMLTRQPJVQAAM-SFHVURJKSA-N 1 1 324.415 3.376 20 10 DGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1O ZINC001140746183 1091983236 /nfs/dbraw/zinc/98/32/36/1091983236.db2.gz VOLBAOTVRCJICW-INIZCTEOSA-N 1 1 317.360 3.199 20 10 DGCDMO COc1cccc(CCC[N@@H+](C)Cc2ccc(O)c(C)c2O)c1 ZINC001140747466 1091985574 /nfs/dbraw/zinc/98/55/74/1091985574.db2.gz ANOZZZIMSKZNRT-UHFFFAOYSA-N 1 1 315.413 3.479 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)Cc1c(OC)cc(O)cc1OC ZINC001140773208 1091993173 /nfs/dbraw/zinc/99/31/73/1091993173.db2.gz PHZFNBCUXWAVBS-UHFFFAOYSA-N 1 1 317.385 3.137 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@H]2COC)c(O)c1 ZINC001140850454 1092028526 /nfs/dbraw/zinc/02/85/26/1092028526.db2.gz LQQIFMFNRVWEST-KRWDZBQOSA-N 1 1 306.450 3.239 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCCCO2)c(O)c1 ZINC001140855337 1092030164 /nfs/dbraw/zinc/03/01/64/1092030164.db2.gz VVDQHLACCLNECO-QGZVFWFLSA-N 1 1 306.450 3.239 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC001140856577 1092032275 /nfs/dbraw/zinc/03/22/75/1092032275.db2.gz FIJKYTPZMXBBII-GOSISDBHSA-N 1 1 306.450 3.095 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c(O)c1 ZINC001140856758 1092034018 /nfs/dbraw/zinc/03/40/18/1092034018.db2.gz MNMYEHGALBJWMB-RHSMWYFYSA-N 1 1 306.450 3.238 20 10 DGCDMO CC[N@@H+](CCn1cccn1)Cc1ccc(N(C)C)cc1Cl ZINC001140924357 1092064428 /nfs/dbraw/zinc/06/44/28/1092064428.db2.gz GQSBNMATZJCDOA-UHFFFAOYSA-N 1 1 306.841 3.125 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140948552 1092074492 /nfs/dbraw/zinc/07/44/92/1092074492.db2.gz NPWITTVJZBLSID-HNNXBMFYSA-N 1 1 320.433 3.190 20 10 DGCDMO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3)C[C@H]2C)c(O)c1 ZINC001140949695 1092074518 /nfs/dbraw/zinc/07/45/18/1092074518.db2.gz IMCWPNRZPXWGRL-QGZVFWFLSA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(O)c1 ZINC001140949695 1092074526 /nfs/dbraw/zinc/07/45/26/1092074526.db2.gz IMCWPNRZPXWGRL-QGZVFWFLSA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(O)c1 ZINC001140949695 1092074536 /nfs/dbraw/zinc/07/45/36/1092074536.db2.gz IMCWPNRZPXWGRL-QGZVFWFLSA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1ccc(C[NH+]2CC(Oc3ccc(F)c(F)c3)C2)c(O)c1 ZINC001140950063 1092077358 /nfs/dbraw/zinc/07/73/58/1092077358.db2.gz SVTWIQXOHFYXKF-UHFFFAOYSA-N 1 1 305.324 3.242 20 10 DGCDMO Cc1ccc(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(O)c1 ZINC001140953571 1092077885 /nfs/dbraw/zinc/07/78/85/1092077885.db2.gz CEZVYOHVZQEUFL-AZUAARDMSA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1ccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(O)c1 ZINC001140953571 1092077893 /nfs/dbraw/zinc/07/78/93/1092077893.db2.gz CEZVYOHVZQEUFL-AZUAARDMSA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(O)c1 ZINC001140953571 1092077899 /nfs/dbraw/zinc/07/78/99/1092077899.db2.gz CEZVYOHVZQEUFL-AZUAARDMSA-N 1 1 322.452 3.407 20 10 DGCDMO CCCc1noc([C@H]2CCC[N@@H+](Cc3ccc(C)cc3O)C2)n1 ZINC001140957524 1092079168 /nfs/dbraw/zinc/07/91/68/1092079168.db2.gz CMJCWHUXIRGBFL-HNNXBMFYSA-N 1 1 315.417 3.416 20 10 DGCDMO CCO[C@H]1CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076032 1092130008 /nfs/dbraw/zinc/13/00/08/1092130008.db2.gz KGKCHZDCAPKHAT-IBGZPJMESA-N 1 1 314.473 3.386 20 10 DGCDMO O=C1CCC[C@H]2C[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@H]12 ZINC001141079130 1092131076 /nfs/dbraw/zinc/13/10/76/1092131076.db2.gz UMACMGGXNQQFNI-OALUTQOASA-N 1 1 324.468 3.186 20 10 DGCDMO CN1CCOc2cc(C[N@@H+](C3CCC3)C3CCOCC3)ccc21 ZINC001141146243 1092150395 /nfs/dbraw/zinc/15/03/95/1092150395.db2.gz POSJYZIZOLIJDA-UHFFFAOYSA-N 1 1 316.445 3.049 20 10 DGCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC001141163093 1092158232 /nfs/dbraw/zinc/15/82/32/1092158232.db2.gz ORJACFONDZTWOC-INIZCTEOSA-N 1 1 301.361 3.444 20 10 DGCDMO COc1cccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1F ZINC001141223840 1092182381 /nfs/dbraw/zinc/18/23/81/1092182381.db2.gz RZPZWAOWSMORPY-UHFFFAOYSA-N 1 1 317.360 3.194 20 10 DGCDMO COc1cccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1F ZINC001141223840 1092182384 /nfs/dbraw/zinc/18/23/84/1092182384.db2.gz RZPZWAOWSMORPY-UHFFFAOYSA-N 1 1 317.360 3.194 20 10 DGCDMO Cc1c(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c2ccccc2n1C ZINC001276557126 1092204626 /nfs/dbraw/zinc/20/46/26/1092204626.db2.gz VSMUHPFBMHBPGF-HXUWFJFHSA-N 1 1 311.473 3.404 20 10 DGCDMO Cc1c(C[N@H+]2CCC[C@]3(CCN(C)C3)C2)c2ccccc2n1C ZINC001276557126 1092204652 /nfs/dbraw/zinc/20/46/52/1092204652.db2.gz VSMUHPFBMHBPGF-HXUWFJFHSA-N 1 1 311.473 3.404 20 10 DGCDMO Cc1c(C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)c2ccccc2n1C ZINC001276557126 1092204662 /nfs/dbraw/zinc/20/46/62/1092204662.db2.gz VSMUHPFBMHBPGF-HXUWFJFHSA-N 1 1 311.473 3.404 20 10 DGCDMO CN(C)c1ccc(CN(C)CC2(C[NH+](C)C)CCCC2)cc1 ZINC001208187159 1092249792 /nfs/dbraw/zinc/24/97/92/1092249792.db2.gz HSXLQXSFXPTELS-UHFFFAOYSA-N 1 1 303.494 3.306 20 10 DGCDMO CN(C)CC1(C[N@H+](C)Cc2ccc(N(C)C)cc2)CCCC1 ZINC001208187159 1092249802 /nfs/dbraw/zinc/24/98/02/1092249802.db2.gz HSXLQXSFXPTELS-UHFFFAOYSA-N 1 1 303.494 3.306 20 10 DGCDMO CN(C)CC1(C[N@@H+](C)Cc2ccc(N(C)C)cc2)CCCC1 ZINC001208187159 1092249813 /nfs/dbraw/zinc/24/98/13/1092249813.db2.gz HSXLQXSFXPTELS-UHFFFAOYSA-N 1 1 303.494 3.306 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2COC3(CCCCC3)O2)cc1 ZINC001208645182 1092440710 /nfs/dbraw/zinc/44/07/10/1092440710.db2.gz VCDCKPYAWDLBFI-SFHVURJKSA-N 1 1 318.461 3.260 20 10 DGCDMO C[N@H+](CCC(=O)c1ccccc1)Cc1cc(F)c(F)cc1O ZINC001142524697 1092494908 /nfs/dbraw/zinc/49/49/08/1092494908.db2.gz HIVDIJRJDDLDQR-UHFFFAOYSA-N 1 1 305.324 3.375 20 10 DGCDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1cc(F)c(F)cc1O ZINC001142524697 1092494912 /nfs/dbraw/zinc/49/49/12/1092494912.db2.gz HIVDIJRJDDLDQR-UHFFFAOYSA-N 1 1 305.324 3.375 20 10 DGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169154428 1092568186 /nfs/dbraw/zinc/56/81/86/1092568186.db2.gz QOKVQZIHLCQZCX-BWTSREIZSA-N 1 1 301.478 3.200 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169154428 1092568195 /nfs/dbraw/zinc/56/81/95/1092568195.db2.gz QOKVQZIHLCQZCX-BWTSREIZSA-N 1 1 301.478 3.200 20 10 DGCDMO Oc1cccc2c1C[N@H+](C[C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC001208951864 1092608303 /nfs/dbraw/zinc/60/83/03/1092608303.db2.gz FIWMQGGDVFJRJP-GOSISDBHSA-N 1 1 322.452 3.272 20 10 DGCDMO Oc1cccc2c1C[N@@H+](C[C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC001208951864 1092608306 /nfs/dbraw/zinc/60/83/06/1092608306.db2.gz FIWMQGGDVFJRJP-GOSISDBHSA-N 1 1 322.452 3.272 20 10 DGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@](F)(CO)CC2)c1O ZINC001143104511 1092615282 /nfs/dbraw/zinc/61/52/82/1092615282.db2.gz UOFNWTAERATITL-GOSISDBHSA-N 1 1 309.425 3.376 20 10 DGCDMO Cc1cc(C[N@@H+](C)Cc2cccc(C(C)(C)C)c2O)n(C)n1 ZINC001143110936 1092616746 /nfs/dbraw/zinc/61/67/46/1092616746.db2.gz UAEKRSLKWHFKQP-UHFFFAOYSA-N 1 1 301.434 3.364 20 10 DGCDMO CC(C)(C)c1cccc(CN2CCC[N@H+]3CCC[C@H]3C2)c1O ZINC001143110517 1092616779 /nfs/dbraw/zinc/61/67/79/1092616779.db2.gz HQVSVOPIBYTFNF-INIZCTEOSA-N 1 1 302.462 3.360 20 10 DGCDMO CC(C)(C)c1cccc(C[NH+]2CC(N3CCCCC3)C2)c1O ZINC001143112469 1092616951 /nfs/dbraw/zinc/61/69/51/1092616951.db2.gz RPUWXJXUZFOZAQ-UHFFFAOYSA-N 1 1 302.462 3.360 20 10 DGCDMO CC[N@@H+](CCn1cccn1)Cc1cccc(C(C)(C)C)c1O ZINC001143111681 1092617096 /nfs/dbraw/zinc/61/70/96/1092617096.db2.gz FHBQGXHHVRKMDM-UHFFFAOYSA-N 1 1 301.434 3.408 20 10 DGCDMO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143112525 1092617126 /nfs/dbraw/zinc/61/71/26/1092617126.db2.gz VLUNEYLZQDVDTH-HNNXBMFYSA-N 1 1 305.418 3.217 20 10 DGCDMO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143112525 1092617129 /nfs/dbraw/zinc/61/71/29/1092617129.db2.gz VLUNEYLZQDVDTH-HNNXBMFYSA-N 1 1 305.418 3.217 20 10 DGCDMO CC(C)(C)c1cccc(C[NH+]2CC(N3CCC(F)CC3)C2)c1O ZINC001143110418 1092617139 /nfs/dbraw/zinc/61/71/39/1092617139.db2.gz FQYBSQCUMJVFME-UHFFFAOYSA-N 1 1 320.452 3.308 20 10 DGCDMO CN(C)c1ccccc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209779944 1092919155 /nfs/dbraw/zinc/91/91/55/1092919155.db2.gz UBUHIHFHHJHACR-UHFFFAOYSA-N 1 1 312.413 3.112 20 10 DGCDMO Oc1c(C[NH2+][C@@H]2CCCOCC2)cc(Cl)c2cccnc12 ZINC001170789540 1094387864 /nfs/dbraw/zinc/38/78/64/1094387864.db2.gz GOCSMPUJNGIOCH-GFCCVEGCSA-N 1 1 306.793 3.253 20 10 DGCDMO Nc1ccc(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1 ZINC001120269666 1094398912 /nfs/dbraw/zinc/39/89/12/1094398912.db2.gz XXCYRHKDJKRZTQ-LBPRGKRZSA-N 1 1 322.334 3.067 20 10 DGCDMO C[N@H+](Cc1ccc(Br)cc1O)C[C@@H]1CCCCO1 ZINC000691674550 1094948215 /nfs/dbraw/zinc/94/82/15/1094948215.db2.gz GBURVNJAGJUAFK-ZDUSSCGKSA-N 1 1 314.223 3.156 20 10 DGCDMO CCc1ccc(CN2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)c(O)c1 ZINC001276804391 1094968699 /nfs/dbraw/zinc/96/86/99/1094968699.db2.gz BKMLSSIEFIFLEN-QFBILLFUSA-N 1 1 314.473 3.403 20 10 DGCDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)c(O)c1 ZINC001276815566 1095140578 /nfs/dbraw/zinc/14/05/78/1095140578.db2.gz WEBOMJVBOHPCNJ-IBGZPJMESA-N 1 1 302.462 3.433 20 10 DGCDMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)c(O)c1 ZINC001276815566 1095140581 /nfs/dbraw/zinc/14/05/81/1095140581.db2.gz WEBOMJVBOHPCNJ-IBGZPJMESA-N 1 1 302.462 3.433 20 10 DGCDMO CCN(CC)c1ccc(CN2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222265635 1095520987 /nfs/dbraw/zinc/52/09/87/1095520987.db2.gz WYZUPOKLLVXXMX-HXUWFJFHSA-N 1 1 315.505 3.498 20 10 DGCDMO CCN(CC)c1ccc(CN2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222265625 1095521161 /nfs/dbraw/zinc/52/11/61/1095521161.db2.gz WYZUPOKLLVXXMX-FQEVSTJZSA-N 1 1 315.505 3.498 20 10 DGCDMO CN1CCC[C@@H](C[N@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001116437344 1095552015 /nfs/dbraw/zinc/55/20/15/1095552015.db2.gz ZRKHXRMDJBAXID-GOSISDBHSA-N 1 1 301.478 3.060 20 10 DGCDMO CN1CCC[C@@H](C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001116437344 1095552027 /nfs/dbraw/zinc/55/20/27/1095552027.db2.gz ZRKHXRMDJBAXID-GOSISDBHSA-N 1 1 301.478 3.060 20 10 DGCDMO Cc1cc(C[N@@H+](C)CCNC(=O)OC(C)(C)C)ccc1N(C)C ZINC001139669681 1095602064 /nfs/dbraw/zinc/60/20/64/1095602064.db2.gz GYRPNYBMSLCYRW-UHFFFAOYSA-N 1 1 321.465 3.018 20 10 DGCDMO Cc1cc(C[NH+]2CC(OCc3ccccc3)C2)ccc1N(C)C ZINC001139670594 1095669135 /nfs/dbraw/zinc/66/91/35/1095669135.db2.gz DWULZNYXHWQTEB-UHFFFAOYSA-N 1 1 310.441 3.462 20 10 DGCDMO Oc1cc(O)c(C[N@H+]2CCc3cc(Cl)ccc3C2)c(O)c1 ZINC001144514717 1095700888 /nfs/dbraw/zinc/70/08/88/1095700888.db2.gz PLVKVTQBECDPSG-UHFFFAOYSA-N 1 1 305.761 3.015 20 10 DGCDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137837392 1095756999 /nfs/dbraw/zinc/75/69/99/1095756999.db2.gz FCTVELNUKQYVRU-GFCCVEGCSA-N 1 1 309.381 3.085 20 10 DGCDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137837392 1095757008 /nfs/dbraw/zinc/75/70/08/1095757008.db2.gz FCTVELNUKQYVRU-GFCCVEGCSA-N 1 1 309.381 3.085 20 10 DGCDMO Oc1cccc(F)c1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC001137841838 1095762227 /nfs/dbraw/zinc/76/22/27/1095762227.db2.gz XFLGJJBNBAWMTL-GJZGRUSLSA-N 1 1 312.388 3.100 20 10 DGCDMO Cc1cc(C[N@@H+]2CCc3ncncc3C2)c(C)n1-c1ccccc1 ZINC001137858161 1095770136 /nfs/dbraw/zinc/77/01/36/1095770136.db2.gz YOURMVCBWPADOT-UHFFFAOYSA-N 1 1 318.424 3.442 20 10 DGCDMO Cc1cc(C[N@H+]2CCc3ncncc3C2)c(C)n1-c1ccccc1 ZINC001137858161 1095770144 /nfs/dbraw/zinc/77/01/44/1095770144.db2.gz YOURMVCBWPADOT-UHFFFAOYSA-N 1 1 318.424 3.442 20 10 DGCDMO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001117721525 1095813862 /nfs/dbraw/zinc/81/38/62/1095813862.db2.gz SBQNRJGJHKYMTP-VIFPVBQESA-N 1 1 317.788 3.395 20 10 DGCDMO CC(C)c1noc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)n1 ZINC001138128321 1095901687 /nfs/dbraw/zinc/90/16/87/1095901687.db2.gz CSNXHZLNIWROJC-CYBMUJFWSA-N 1 1 319.380 3.417 20 10 DGCDMO CC(C)c1noc([C@@H]2CCC[N@H+](Cc3cccc(F)c3O)C2)n1 ZINC001138128321 1095901698 /nfs/dbraw/zinc/90/16/98/1095901698.db2.gz CSNXHZLNIWROJC-CYBMUJFWSA-N 1 1 319.380 3.417 20 10 DGCDMO CC(C)c1noc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3O)C2)n1 ZINC001138128321 1095901708 /nfs/dbraw/zinc/90/17/08/1095901708.db2.gz CSNXHZLNIWROJC-CYBMUJFWSA-N 1 1 319.380 3.417 20 10 DGCDMO C[C@@H]1C[C@@H]([N@H+]2CCc3cccc(O)c3C2)CN1Cc1ccccc1 ZINC001171760230 1096964212 /nfs/dbraw/zinc/96/42/12/1096964212.db2.gz SHMHSXMWYXAXTN-VQIMIIECSA-N 1 1 322.452 3.413 20 10 DGCDMO C[C@@H]1C[C@@H](N2CCc3cccc(O)c3C2)C[N@@H+]1Cc1ccccc1 ZINC001171760230 1096964217 /nfs/dbraw/zinc/96/42/17/1096964217.db2.gz SHMHSXMWYXAXTN-VQIMIIECSA-N 1 1 322.452 3.413 20 10 DGCDMO C[C@@H]1C[C@@H](N2CCc3cccc(O)c3C2)C[N@H+]1Cc1ccccc1 ZINC001171760230 1096964222 /nfs/dbraw/zinc/96/42/22/1096964222.db2.gz SHMHSXMWYXAXTN-VQIMIIECSA-N 1 1 322.452 3.413 20 10 DGCDMO CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001173266027 1097390172 /nfs/dbraw/zinc/39/01/72/1097390172.db2.gz KLRDJHLDBJQKMS-AEFFLSMTSA-N 1 1 301.478 3.107 20 10 DGCDMO Oc1cccc2c1C[N@H+](Cc1nc3c(s1)CCCC3)CC2 ZINC001231582958 1097784678 /nfs/dbraw/zinc/78/46/78/1097784678.db2.gz FDPMLCJHHKYMRM-UHFFFAOYSA-N 1 1 300.427 3.286 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1nc3c(s1)CCCC3)CC2 ZINC001231582958 1097784681 /nfs/dbraw/zinc/78/46/81/1097784681.db2.gz FDPMLCJHHKYMRM-UHFFFAOYSA-N 1 1 300.427 3.286 20 10 DGCDMO CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)ccc2ccccc21 ZINC001231588171 1097785680 /nfs/dbraw/zinc/78/56/80/1097785680.db2.gz SUQYGONDOMGXIS-HXUWFJFHSA-N 1 1 324.424 3.132 20 10 DGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001231587431 1097785713 /nfs/dbraw/zinc/78/57/13/1097785713.db2.gz CCJBXSAEONGWPW-GOSISDBHSA-N 1 1 303.377 3.232 20 10 DGCDMO Oc1ccc2ccccc2c1C[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001231591098 1097787280 /nfs/dbraw/zinc/78/72/80/1097787280.db2.gz SVAJEPCHILDMBW-UHFFFAOYSA-N 1 1 305.324 3.155 20 10 DGCDMO CCOC(=O)C[C@@H]1CC[N@@H+](Cc2cccc(C)c2O)C[C@@H]1C ZINC001231595479 1097788452 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ZINC001320498116 1107026794 /nfs/dbraw/zinc/02/67/94/1107026794.db2.gz QYEVYZOUEVLFRV-HNNXBMFYSA-N 1 1 307.457 3.055 20 10 DGCDMO CCOc1ncccc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC001321024309 1107225831 /nfs/dbraw/zinc/22/58/31/1107225831.db2.gz RYSAETMPGKVXIE-JTQLQIEISA-N 1 1 308.328 3.315 20 10 DGCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001321025496 1107225853 /nfs/dbraw/zinc/22/58/53/1107225853.db2.gz PNOIHCJSCDIZHZ-IBGZPJMESA-N 1 1 302.462 3.414 20 10 DGCDMO CC[C@@H]([NH2+]CC[C@@H](C)[NH2+]C)c1cc(Br)ccc1[O-] ZINC001261424273 1107428013 /nfs/dbraw/zinc/42/80/13/1107428013.db2.gz QIVAIWKJANNZLA-ZWNOBZJWSA-N 1 1 315.255 3.193 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC001321942995 1107468749 /nfs/dbraw/zinc/46/87/49/1107468749.db2.gz DQUVYWOWOJYUJA-MOPGFXCFSA-N 1 1 300.446 3.430 20 10 DGCDMO COc1c(O)c(C[NH2+][C@H](C)c2cc(C)oc2C)ccc1[N+](=O)[O-] ZINC001322149844 1107546067 /nfs/dbraw/zinc/54/60/67/1107546067.db2.gz PAMXPVGRRUKXIT-SNVBAGLBSA-N 1 1 320.345 3.370 20 10 DGCDMO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001323322670 1107934828 /nfs/dbraw/zinc/93/48/28/1107934828.db2.gz MMNMTTXORSQUFL-IBGZPJMESA-N 1 1 315.505 3.451 20 10 DGCDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001323322670 1107934835 /nfs/dbraw/zinc/93/48/35/1107934835.db2.gz MMNMTTXORSQUFL-IBGZPJMESA-N 1 1 315.505 3.451 20 10 DGCDMO C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1cc2c(cc1O)OCO2 ZINC001323324522 1107938207 /nfs/dbraw/zinc/93/82/07/1107938207.db2.gz WXPPVFUGZMBAPO-UHFFFAOYSA-N 1 1 310.353 3.234 20 10 DGCDMO C[C@@H]([N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)(C)C ZINC001324725243 1108443200 /nfs/dbraw/zinc/44/32/00/1108443200.db2.gz RNQDUQQRTOGRNL-OAHLLOKOSA-N 1 1 321.484 3.444 20 10 DGCDMO CCOc1ccc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c(O)c1 ZINC001324759903 1108455084 /nfs/dbraw/zinc/45/50/84/1108455084.db2.gz VKBOTRBQYGAHAC-UHFFFAOYSA-N 1 1 317.433 3.444 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c(O)c1 ZINC001324759903 1108455090 /nfs/dbraw/zinc/45/50/90/1108455090.db2.gz VKBOTRBQYGAHAC-UHFFFAOYSA-N 1 1 317.433 3.444 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc1 ZINC001324793551 1108466964 /nfs/dbraw/zinc/46/69/64/1108466964.db2.gz QKQFWWWUHLJLPC-UHFFFAOYSA-N 1 1 300.450 3.405 20 10 DGCDMO C[C@@H]([NH2+]Cc1nnc(-c2cccc(F)c2)o1)c1ccccc1O ZINC001308009927 1111365040 /nfs/dbraw/zinc/36/50/40/1111365040.db2.gz HMWJJWMUNRPNKA-LLVKDONJSA-N 1 1 313.332 3.432 20 10 DGCDMO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001308237746 1111402856 /nfs/dbraw/zinc/40/28/56/1111402856.db2.gz QQZRPIYWKRBMBS-PKOBYXMFSA-N 1 1 315.505 3.354 20 10 DGCDMO CCCC[N@@H+](C)C[C@@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC001308422905 1111427303 /nfs/dbraw/zinc/42/73/03/1111427303.db2.gz VMJBJTLJYFYCEU-CYBMUJFWSA-N 1 1 313.436 3.241 20 10 DGCDMO CN(C)c1ccc([C@@H](CNCc2ccc(Cl)o2)[NH+](C)C)cc1 ZINC001308542987 1111440179 /nfs/dbraw/zinc/44/01/79/1111440179.db2.gz FHZVLVDDIRFIIH-MRXNPFEDSA-N 1 1 321.852 3.392 20 10 DGCDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(Cl)cc2O)cc1 ZINC001308625348 1111452773 /nfs/dbraw/zinc/45/27/73/1111452773.db2.gz ZLWNKIVIPZXIIK-MRXNPFEDSA-N 1 1 321.804 3.220 20 10 DGCDMO C[N@H+](CCOc1ccc(F)cc1)Cc1cc(F)c(F)cc1O ZINC001308653363 1111455603 /nfs/dbraw/zinc/45/56/03/1111455603.db2.gz BNGCQUDJWWUSTI-UHFFFAOYSA-N 1 1 311.303 3.320 20 10 DGCDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1cc(F)c(F)cc1O ZINC001308653363 1111455605 /nfs/dbraw/zinc/45/56/05/1111455605.db2.gz BNGCQUDJWWUSTI-UHFFFAOYSA-N 1 1 311.303 3.320 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)OC)C2)c1O ZINC001308675521 1111458786 /nfs/dbraw/zinc/45/87/86/1111458786.db2.gz DCVWFZSUPGUNHC-INIZCTEOSA-N 1 1 319.445 3.366 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c(O)c1 ZINC001308758417 1111470947 /nfs/dbraw/zinc/47/09/47/1111470947.db2.gz SGYYLSANQTUSGM-HUUCEWRRSA-N 1 1 307.434 3.225 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC001308764446 1111471654 /nfs/dbraw/zinc/47/16/54/1111471654.db2.gz JFLRGIAIRVTASQ-SJKOYZFVSA-N 1 1 320.339 3.075 20 10 DGCDMO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(F)c3O)C2)cc1 ZINC001308911642 1111492980 /nfs/dbraw/zinc/49/29/80/1111492980.db2.gz JARQRXONOBIVAK-QGZVFWFLSA-N 1 1 314.404 3.204 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@H]3C[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC001308917673 1111493453 /nfs/dbraw/zinc/49/34/53/1111493453.db2.gz DQCISVMTJPDPRJ-IHPCNDPISA-N 1 1 313.489 3.107 20 10 DGCDMO CC[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)[C@H](O)c1ccccc1 ZINC001308931839 1111495867 /nfs/dbraw/zinc/49/58/67/1111495867.db2.gz VQIDDMLZZZFJHG-NVXWUHKLSA-N 1 1 307.340 3.272 20 10 DGCDMO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1cc(F)c(F)cc1O ZINC001308986591 1111505946 /nfs/dbraw/zinc/50/59/46/1111505946.db2.gz OLEQOHDEQDOJNS-UHFFFAOYSA-N 1 1 316.307 3.214 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C[C@H](O)CC(F)(F)F)C2CC2)cc1 ZINC000276342231 282288942 /nfs/dbraw/zinc/28/89/42/282288942.db2.gz ISSXDCNVADDIAG-OAHLLOKOSA-N 1 1 316.367 3.030 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000106856776 432023042 /nfs/dbraw/zinc/02/30/42/432023042.db2.gz PQZMJKQPOACTBB-OAHLLOKOSA-N 1 1 320.433 3.108 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000179374507 432055746 /nfs/dbraw/zinc/05/57/46/432055746.db2.gz SGQWENLXLXHHPV-QGZVFWFLSA-N 1 1 318.461 3.118 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1O ZINC000091960312 193133358 /nfs/dbraw/zinc/13/33/58/193133358.db2.gz QQROXWRHXDPXKM-GOEBONIOSA-N 1 1 315.417 3.071 20 10 DGCDMO C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192617637 296114770 /nfs/dbraw/zinc/11/47/70/296114770.db2.gz VMNIVDUKJBYNEO-SECBINFHSA-N 1 1 303.233 3.444 20 10 DGCDMO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1ccccc1O ZINC000246429592 432131063 /nfs/dbraw/zinc/13/10/63/432131063.db2.gz CNAHBKXCZZYZET-ZNMIVQPWSA-N 1 1 304.434 3.002 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1O ZINC000273750124 130162191 /nfs/dbraw/zinc/16/21/91/130162191.db2.gz NJTUJRAGBHBAFT-LLVKDONJSA-N 1 1 321.808 3.157 20 10 DGCDMO COCc1nc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000274798555 130262335 /nfs/dbraw/zinc/26/23/35/130262335.db2.gz OBAMAXFAUWIRCI-LBPRGKRZSA-N 1 1 305.447 3.206 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H](O)c1ccc(OC)cc1)c1ccc(F)cc1O ZINC000285811583 131203445 /nfs/dbraw/zinc/20/34/45/131203445.db2.gz VVSITTMKXJSASW-AEFFLSMTSA-N 1 1 319.376 3.314 20 10 DGCDMO CC[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(F)cc1O ZINC000285977021 131213435 /nfs/dbraw/zinc/21/34/35/131213435.db2.gz HLMUUMNZGMDINM-ZUOKHONESA-N 1 1 301.427 3.119 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(F)cc1O ZINC000286337734 131231261 /nfs/dbraw/zinc/23/12/61/131231261.db2.gz YRAWWVKVDLVCAA-HIFRSBDPSA-N 1 1 309.381 3.258 20 10 DGCDMO CC[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000286356690 131232218 /nfs/dbraw/zinc/23/22/18/131232218.db2.gz ZMJLRWZNJAUHID-HZPDHXFCSA-N 1 1 307.340 3.445 20 10 DGCDMO COCC(C)(C)CCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000287257476 131270796 /nfs/dbraw/zinc/27/07/96/131270796.db2.gz ZXQICRBHBMZOAE-ZDUSSCGKSA-N 1 1 323.433 3.282 20 10 DGCDMO OC[C@]1(F)CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000289379515 131380629 /nfs/dbraw/zinc/38/06/29/131380629.db2.gz BRHKQNUOSUMIES-IBGZPJMESA-N 1 1 315.388 3.356 20 10 DGCDMO Cc1cnccc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000294502048 131839278 /nfs/dbraw/zinc/83/92/78/131839278.db2.gz BJYPJLQFGAHROJ-GOSISDBHSA-N 1 1 312.413 3.277 20 10 DGCDMO COCc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000297302988 132009011 /nfs/dbraw/zinc/00/90/11/132009011.db2.gz BJIMXYMHHVRMFX-UHFFFAOYSA-N 1 1 317.433 3.298 20 10 DGCDMO COCc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000297302988 132009014 /nfs/dbraw/zinc/00/90/14/132009014.db2.gz BJIMXYMHHVRMFX-UHFFFAOYSA-N 1 1 317.433 3.298 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1O ZINC000079400260 400862752 /nfs/dbraw/zinc/86/27/52/400862752.db2.gz XJHMJQAAMQPDTH-MRXNPFEDSA-N 1 1 302.349 3.399 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1O ZINC000079400260 400862758 /nfs/dbraw/zinc/86/27/58/400862758.db2.gz XJHMJQAAMQPDTH-MRXNPFEDSA-N 1 1 302.349 3.399 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1OC ZINC000160383072 286238982 /nfs/dbraw/zinc/23/89/82/286238982.db2.gz IVZFWFNBTRBSSD-GUYCJALGSA-N 1 1 323.458 3.269 20 10 DGCDMO O=C(NCc1ccccc1O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000269138811 432154135 /nfs/dbraw/zinc/15/41/35/432154135.db2.gz LBLQKAUKVXKJDT-SFHVURJKSA-N 1 1 324.424 3.063 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)[C@H](C)c1nnnn1C1CC1 ZINC000282356561 276233840 /nfs/dbraw/zinc/23/38/40/276233840.db2.gz CYCLRPZMVIXNGJ-CYBMUJFWSA-N 1 1 315.421 3.077 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)c1nnnn1C1CC1 ZINC000282356561 276233842 /nfs/dbraw/zinc/23/38/42/276233842.db2.gz CYCLRPZMVIXNGJ-CYBMUJFWSA-N 1 1 315.421 3.077 20 10 DGCDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC000109773563 431179447 /nfs/dbraw/zinc/17/94/47/431179447.db2.gz JYILSXDNHVHAHX-OAHLLOKOSA-N 1 1 312.413 3.468 20 10 DGCDMO COCCC[N@@H+](CCOC)Cc1c(O)ccc2ccccc21 ZINC000068963698 431151929 /nfs/dbraw/zinc/15/19/29/431151929.db2.gz GTYZXRHAWWRYMH-UHFFFAOYSA-N 1 1 303.402 3.030 20 10 DGCDMO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000071004396 431270792 /nfs/dbraw/zinc/27/07/92/431270792.db2.gz GPOIXIKIQSJVHD-UHFFFAOYSA-N 1 1 314.404 3.294 20 10 DGCDMO CC[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(F)cc1O ZINC000285567174 280183869 /nfs/dbraw/zinc/18/38/69/280183869.db2.gz HOUOTQZCAQXLOC-OAHLLOKOSA-N 1 1 309.381 3.258 20 10 DGCDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092064101 431907949 /nfs/dbraw/zinc/90/79/49/431907949.db2.gz GOUPQXYMPCHYOM-GOSISDBHSA-N 1 1 320.502 3.241 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C)c2ccncc2)c1O ZINC000091986313 431905681 /nfs/dbraw/zinc/90/56/81/431905681.db2.gz CGOOIBJKSMOGRB-LLVKDONJSA-N 1 1 302.349 3.322 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C)c2ccncc2)c1O ZINC000091986313 431905683 /nfs/dbraw/zinc/90/56/83/431905683.db2.gz CGOOIBJKSMOGRB-LLVKDONJSA-N 1 1 302.349 3.322 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)ccc1O ZINC000125964371 431939767 /nfs/dbraw/zinc/93/97/67/431939767.db2.gz IZWVLMWBWKEKMG-UHFFFAOYSA-N 1 1 301.386 3.355 20 10 DGCDMO COCCOC[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000173390807 432276114 /nfs/dbraw/zinc/27/61/14/432276114.db2.gz ZWKAMWXZHVFJKD-OAHLLOKOSA-N 1 1 315.413 3.030 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1O ZINC000248890281 432326755 /nfs/dbraw/zinc/32/67/55/432326755.db2.gz RYDHCBMZDNAAAC-SMDDNHRTSA-N 1 1 311.809 3.055 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000271302101 432371839 /nfs/dbraw/zinc/37/18/39/432371839.db2.gz UMKXDXHEYUTGEC-NVXWUHKLSA-N 1 1 301.386 3.382 20 10 DGCDMO COc1ccc(O)c([C@H](C)NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000192952708 432433545 /nfs/dbraw/zinc/43/35/45/432433545.db2.gz LBPHKOZSQDCEKT-YOEHRIQHSA-N 1 1 306.450 3.172 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1F ZINC000271780138 432424555 /nfs/dbraw/zinc/42/45/55/432424555.db2.gz DKZKOINPMZEXDF-UHFFFAOYSA-N 1 1 305.441 3.023 20 10 DGCDMO C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccc(F)cc1O ZINC000185104795 432466734 /nfs/dbraw/zinc/46/67/34/432466734.db2.gz IXUKQWCSEWJBTF-GFCCVEGCSA-N 1 1 320.433 3.302 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)cc1O ZINC000186136307 432562509 /nfs/dbraw/zinc/56/25/09/432562509.db2.gz WUJKBQBVWXWIRB-PVXIVEMSSA-N 1 1 311.422 3.237 20 10 DGCDMO COc1c(O)c(C[NH2+]Cc2ccc(C)cc2C)ccc1[N+](=O)[O-] ZINC000278106795 432884910 /nfs/dbraw/zinc/88/49/10/432884910.db2.gz AIIZVNVHAGGFSV-UHFFFAOYSA-N 1 1 316.357 3.216 20 10 DGCDMO CC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278231603 432889201 /nfs/dbraw/zinc/88/92/01/432889201.db2.gz MTINNSMLYRDEPU-UHFFFAOYSA-N 1 1 316.357 3.331 20 10 DGCDMO CC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278231603 432889204 /nfs/dbraw/zinc/88/92/04/432889204.db2.gz 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LMXQYLQMTXSLNB-HNNXBMFYSA-N 1 1 320.795 3.461 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1O ZINC000180024650 524403492 /nfs/dbraw/zinc/40/34/92/524403492.db2.gz WYOOIAFQZNTBDI-KRWDZBQOSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1cccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c1O ZINC000180024650 524403498 /nfs/dbraw/zinc/40/34/98/524403498.db2.gz WYOOIAFQZNTBDI-KRWDZBQOSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1cc(Br)cc(C[N@H+]2CCCO[C@H](C)C2)c1O ZINC000124587427 526158362 /nfs/dbraw/zinc/15/83/62/526158362.db2.gz FAZXQVLMORVKFC-LLVKDONJSA-N 1 1 314.223 3.074 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000368485973 526432047 /nfs/dbraw/zinc/43/20/47/526432047.db2.gz AADWFVNHQHJATA-IBGZPJMESA-N 1 1 300.446 3.432 20 10 DGCDMO Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000237995312 527493537 /nfs/dbraw/zinc/49/35/37/527493537.db2.gz ZBDIVGBZOBHBTG-MRXNPFEDSA-N 1 1 309.413 3.120 20 10 DGCDMO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293667232 535250594 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/nfs/dbraw/zinc/00/38/68/576003868.db2.gz IPZZFRXFKZPMKF-UHFFFAOYSA-N 1 1 311.429 3.343 20 10 DGCDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc(N(CC)CC)c(F)c1 ZINC000740004895 576076659 /nfs/dbraw/zinc/07/66/59/576076659.db2.gz YNVUPHSDHUINFS-OAHLLOKOSA-N 1 1 309.473 3.492 20 10 DGCDMO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000740004895 576076663 /nfs/dbraw/zinc/07/66/63/576076663.db2.gz YNVUPHSDHUINFS-OAHLLOKOSA-N 1 1 309.473 3.492 20 10 DGCDMO COc1ccc(N2CCC([NH2+][C@@H](C)c3cn[nH]c3C)CC2)cc1 ZINC000154146686 620643443 /nfs/dbraw/zinc/64/34/43/620643443.db2.gz LKXOGVGNDSYQDP-ZDUSSCGKSA-N 1 1 314.433 3.046 20 10 DGCDMO CCc1noc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000917075468 620654897 /nfs/dbraw/zinc/65/48/97/620654897.db2.gz WMMQIHXDSPYHAO-UHFFFAOYSA-N 1 1 302.422 3.109 20 10 DGCDMO CCc1noc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000917075468 620654899 /nfs/dbraw/zinc/65/48/99/620654899.db2.gz WMMQIHXDSPYHAO-UHFFFAOYSA-N 1 1 302.422 3.109 20 10 DGCDMO CCN(CC)[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC(C)C ZINC000917395020 620666920 /nfs/dbraw/zinc/66/69/20/620666920.db2.gz ZEQYVWUULHKGGQ-GOSISDBHSA-N 1 1 304.478 3.468 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000853242057 620681545 /nfs/dbraw/zinc/68/15/45/620681545.db2.gz ZUPRWVGLYZETHW-TZMCWYRMSA-N 1 1 324.415 3.443 20 10 DGCDMO CC(C)CCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000111235920 620684975 /nfs/dbraw/zinc/68/49/75/620684975.db2.gz PSGIKSVSMWDVLY-OAHLLOKOSA-N 1 1 306.450 3.155 20 10 DGCDMO CCc1cc(C[N@@H+](C)C[C@@H]2COCCO2)c(O)c(C(C)(C)C)c1 ZINC000853558974 620709387 /nfs/dbraw/zinc/70/93/87/620709387.db2.gz LKYYVPQGSNHBBD-MRXNPFEDSA-N 1 1 321.461 3.099 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](C3CCCCC3)C1)[C@H](O)CO2 ZINC000853553345 620709730 /nfs/dbraw/zinc/70/97/30/620709730.db2.gz DNUDELYALYGMKL-KBXCAEBGSA-N 1 1 317.429 3.220 20 10 DGCDMO COc1ccc(N2CC[C@@H](Nc3nc(C)[nH+]c(C)c3C)C2)cc1 ZINC000853759570 620734508 /nfs/dbraw/zinc/73/45/08/620734508.db2.gz WQHPPMBKXUEJQU-OAHLLOKOSA-N 1 1 312.417 3.101 20 10 DGCDMO COc1ccc(N2CC[C@H](Nc3nc(C)[nH+]c(C)c3C)C2)cc1 ZINC000853759569 620734275 /nfs/dbraw/zinc/73/42/75/620734275.db2.gz WQHPPMBKXUEJQU-HNNXBMFYSA-N 1 1 312.417 3.101 20 10 DGCDMO Oc1ccc(Br)cc1CNc1cc[nH+]cc1Cl ZINC000804828725 617680765 /nfs/dbraw/zinc/68/07/65/617680765.db2.gz XTFKFBJNHDUMCC-UHFFFAOYSA-N 1 1 313.582 3.237 20 10 DGCDMO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1O ZINC000854225180 620785617 /nfs/dbraw/zinc/78/56/17/620785617.db2.gz YAGFIJNOUIIPDW-FSPWUOQZSA-N 1 1 314.404 3.328 20 10 DGCDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c(O)c1OC ZINC000894449787 618334946 /nfs/dbraw/zinc/33/49/46/618334946.db2.gz QBOHGWJWAXBULV-HNNXBMFYSA-N 1 1 314.385 3.142 20 10 DGCDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c(O)c1OC ZINC000894544442 618378562 /nfs/dbraw/zinc/37/85/62/618378562.db2.gz NFXVVQHOPQTIOH-QGZVFWFLSA-N 1 1 303.402 3.174 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c1O ZINC000895364538 618603286 /nfs/dbraw/zinc/60/32/86/618603286.db2.gz PVPCXUBGCPYXJK-UHFFFAOYSA-N 1 1 315.417 3.017 20 10 DGCDMO Cc1cnn([C@H]2CC[N@@H+](Cc3c(O)cc(C)cc3Cl)C2)c1 ZINC000840947807 618620596 /nfs/dbraw/zinc/62/05/96/618620596.db2.gz MIUVCEPQCCNYGH-ZDUSSCGKSA-N 1 1 305.809 3.306 20 10 DGCDMO OCC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccs1 ZINC000790971123 618653874 /nfs/dbraw/zinc/65/38/74/618653874.db2.gz QDMGAVXAONZJNL-LLVKDONJSA-N 1 1 315.797 3.460 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2c2cccn2C)c1O ZINC000893909477 618674315 /nfs/dbraw/zinc/67/43/15/618674315.db2.gz OONXAKUATYSMBV-MRXNPFEDSA-N 1 1 300.402 3.385 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccccc2O)c(F)c1OC ZINC000893962755 618681087 /nfs/dbraw/zinc/68/10/87/618681087.db2.gz SMBLLRABRATYFC-UHFFFAOYSA-N 1 1 305.349 3.181 20 10 DGCDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894019732 618693651 /nfs/dbraw/zinc/69/36/51/618693651.db2.gz BNYDOHAGGHCWFK-NSHDSACASA-N 1 1 307.340 3.439 20 10 DGCDMO OCC[N@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCc2ccccc21 ZINC000894026141 618696722 /nfs/dbraw/zinc/69/67/22/618696722.db2.gz KZQUAPGERNEGKH-KRWDZBQOSA-N 1 1 319.351 3.152 20 10 DGCDMO OCC[N@@H+](Cc1cc(F)cc(F)c1O)[C@H]1CCc2ccccc21 ZINC000894026141 618696723 /nfs/dbraw/zinc/69/67/23/618696723.db2.gz KZQUAPGERNEGKH-KRWDZBQOSA-N 1 1 319.351 3.152 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1O ZINC000895843813 618838505 /nfs/dbraw/zinc/83/85/05/618838505.db2.gz CRULTQHQPLETIY-BXUZGUMPSA-N 1 1 311.809 3.055 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](Cc3nccs3)C2)c1 ZINC000896536995 618926296 /nfs/dbraw/zinc/92/62/96/618926296.db2.gz SRCRNCFYWTXAFK-CYBMUJFWSA-N 1 1 318.442 3.312 20 10 DGCDMO CCCN(CCC)c1ccc(C[NH2+][C@H](C)c2ncnn2C)cc1 ZINC000788971100 625308694 /nfs/dbraw/zinc/30/86/94/625308694.db2.gz FSBMIKOFBQBWNS-OAHLLOKOSA-N 1 1 315.465 3.292 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897432931 619118974 /nfs/dbraw/zinc/11/89/74/619118974.db2.gz SDDLQOPYSPJCPL-UHFFFAOYSA-N 1 1 323.799 3.471 20 10 DGCDMO C[C@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(Cl)cc1O ZINC000841751916 619149831 /nfs/dbraw/zinc/14/98/31/619149831.db2.gz OLVBGVNBQNBDBM-LBPRGKRZSA-N 1 1 305.805 3.431 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H]1O ZINC000897679198 619172839 /nfs/dbraw/zinc/17/28/39/619172839.db2.gz IOGSWLONCUSLQQ-KBXCAEBGSA-N 1 1 316.470 3.197 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cc(F)cc(F)c1O ZINC000927101685 619265887 /nfs/dbraw/zinc/26/58/87/619265887.db2.gz LSZVXFMLIMGVCM-VIFPVBQESA-N 1 1 307.344 3.132 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c(O)cc1C ZINC000902650360 619661273 /nfs/dbraw/zinc/66/12/73/619661273.db2.gz ZXQJBEUZBPORDI-ZDUSSCGKSA-N 1 1 318.442 3.230 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@@H]2CC2CCOCC2)cc1C ZINC000902669533 619662799 /nfs/dbraw/zinc/66/27/99/619662799.db2.gz HCYLBQDGDYFZLS-SFHVURJKSA-N 1 1 319.445 3.027 20 10 DGCDMO C[C@H]1C[C@H](NCc2cc(N(C)C)cc[nH+]2)c2c1c(F)ccc2O ZINC000903198071 619734867 /nfs/dbraw/zinc/73/48/67/619734867.db2.gz FDUZDJNGASSORG-NHYWBVRUSA-N 1 1 315.392 3.330 20 10 DGCDMO CC[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(F)cc1O ZINC000903198581 619735122 /nfs/dbraw/zinc/73/51/22/619735122.db2.gz MOBFWRVLOKOVPW-INIZCTEOSA-N 1 1 303.381 3.233 20 10 DGCDMO C[C@@H]([NH2+][C@@H](CO)CCc1ccccc1)c1c(O)cccc1F ZINC000903292677 619752088 /nfs/dbraw/zinc/75/20/88/619752088.db2.gz KCSZSICFMCAQDJ-UKRRQHHQSA-N 1 1 303.377 3.176 20 10 DGCDMO Cc1ccc([C@H](C)[NH2+]Cc2ncc(Br)cn2)c(O)c1 ZINC000903320194 619755427 /nfs/dbraw/zinc/75/54/27/619755427.db2.gz FAQWJIUYWFHCRW-JTQLQIEISA-N 1 1 322.206 3.104 20 10 DGCDMO C[C@@H]([NH2+]C1CC(CCO)C1)c1cccc(C(F)(F)F)c1O ZINC000903334209 619759047 /nfs/dbraw/zinc/75/90/47/619759047.db2.gz XYCCMRHEDRRMNE-KPPDAEKUSA-N 1 1 303.324 3.223 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ccc2nonc2c1)c1ccc(F)cc1O ZINC000903326850 619761700 /nfs/dbraw/zinc/76/17/00/619761700.db2.gz USFIVNIMNDTGCB-CYBMUJFWSA-N 1 1 301.321 3.308 20 10 DGCDMO CN(C)CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000903381373 619768621 /nfs/dbraw/zinc/76/86/21/619768621.db2.gz WBCQKNTVVGNJGZ-IRXDYDNUSA-N 1 1 311.429 3.057 20 10 DGCDMO COc1ccc(N2CC[C@@H](NC[C@H]([NH3+])CCC(C)(C)C)C2)cc1 ZINC000904376544 619918205 /nfs/dbraw/zinc/91/82/05/619918205.db2.gz BCXOGKRXTIEEDJ-HZPDHXFCSA-N 1 1 319.493 3.017 20 10 DGCDMO COc1ccc(-n2c(C)cc(-c3nc(C4([NH3+])CC4)no3)c2C)cc1 ZINC000905318927 619987002 /nfs/dbraw/zinc/98/70/02/619987002.db2.gz HDKAMUCLUTWUEJ-UHFFFAOYSA-N 1 1 324.384 3.101 20 10 DGCDMO CC[C@@H]1COCC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000151898440 620480073 /nfs/dbraw/zinc/48/00/73/620480073.db2.gz MPGLBOHASHYNDF-CQSZACIVSA-N 1 1 301.386 3.165 20 10 DGCDMO C[C@H]([NH2+]CCCN(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000151911404 620480491 /nfs/dbraw/zinc/48/04/91/620480491.db2.gz LAHKDTXWTDTJPZ-HNNXBMFYSA-N 1 1 307.457 3.418 20 10 DGCDMO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000921623464 620917363 /nfs/dbraw/zinc/91/73/63/620917363.db2.gz LLWZQZVBPCSYLH-UHFFFAOYSA-N 1 1 310.804 3.120 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cncc(Cl)c2)cc1 ZINC000856754878 621016756 /nfs/dbraw/zinc/01/67/56/621016756.db2.gz OXRAHQHELKRQEV-UHFFFAOYSA-N 1 1 319.836 3.312 20 10 DGCDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC000858010712 621144075 /nfs/dbraw/zinc/14/40/75/621144075.db2.gz FKEGSIABYVQBOM-OAHLLOKOSA-N 1 1 318.804 3.402 20 10 DGCDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C2)nc1 ZINC000858010833 621144215 /nfs/dbraw/zinc/14/42/15/621144215.db2.gz GYRAUDIOFYSEJL-ZDUSSCGKSA-N 1 1 318.804 3.402 20 10 DGCDMO CN(C)c1cc(F)c(C[NH2+][C@H]2C[C@H](O)c3ccccc32)cc1F ZINC000858190007 621163358 /nfs/dbraw/zinc/16/33/58/621163358.db2.gz XWWXVPBSJRNJDQ-WMZOPIPTSA-N 1 1 318.367 3.299 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1O ZINC000858449462 621192386 /nfs/dbraw/zinc/19/23/86/621192386.db2.gz MAJBGEIVWIKEMN-TVQRCGJNSA-N 1 1 317.286 3.182 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(Cl)cc1O ZINC000858480388 621196555 /nfs/dbraw/zinc/19/65/55/621196555.db2.gz SPHDAAJQPBNKGL-CMPLNLGQSA-N 1 1 318.795 3.426 20 10 DGCDMO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000858592480 621208248 /nfs/dbraw/zinc/20/82/48/621208248.db2.gz DBIZOTGPKFOGEA-GARJFASQSA-N 1 1 303.324 3.487 20 10 DGCDMO COC(=O)CCCC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000859081124 621246820 /nfs/dbraw/zinc/24/68/20/621246820.db2.gz AQFRSOCYXYSEBI-UHFFFAOYSA-N 1 1 306.450 3.306 20 10 DGCDMO CCO[C@H](C[N@H+]1CCCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000859086882 621247103 /nfs/dbraw/zinc/24/71/03/621247103.db2.gz PVOHKFIXIDCHEV-LJQANCHMSA-N 1 1 318.461 3.022 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC(F)(F)CC2)c1O ZINC000859535893 621288160 /nfs/dbraw/zinc/28/81/60/621288160.db2.gz PUOGOUSUZVZEDB-UHFFFAOYSA-N 1 1 301.308 3.355 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)ccc1N1CCCCC1 ZINC000860131668 621369447 /nfs/dbraw/zinc/36/94/47/621369447.db2.gz OGJXMQRFPSFUAK-DFQSSKMNSA-N 1 1 314.473 3.331 20 10 DGCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000753592360 621452161 /nfs/dbraw/zinc/45/21/61/621452161.db2.gz SELVYLFTDJPXBK-OAHLLOKOSA-N 1 1 305.324 3.324 20 10 DGCDMO Oc1c(F)cccc1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000753592360 621452163 /nfs/dbraw/zinc/45/21/63/621452163.db2.gz SELVYLFTDJPXBK-OAHLLOKOSA-N 1 1 305.324 3.324 20 10 DGCDMO CN(C)c1ccc(C[N@H+](C)Cn2cnc(-c3ccccc3)n2)cc1 ZINC000117861771 621461559 /nfs/dbraw/zinc/46/15/59/621461559.db2.gz BXCNEKXBUKAPBF-UHFFFAOYSA-N 1 1 321.428 3.101 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cn2cnc(-c3ccccc3)n2)cc1 ZINC000117861771 621461560 /nfs/dbraw/zinc/46/15/60/621461560.db2.gz BXCNEKXBUKAPBF-UHFFFAOYSA-N 1 1 321.428 3.101 20 10 DGCDMO C[C@@H]1COCC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000753995450 621478835 /nfs/dbraw/zinc/47/88/35/621478835.db2.gz VOADUPXFMCRELW-ZDUSSCGKSA-N 1 1 315.413 3.486 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1F ZINC000862228184 621563786 /nfs/dbraw/zinc/56/37/86/621563786.db2.gz MVBWNQBSJPEOIG-LBPRGKRZSA-N 1 1 320.387 3.134 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](C[C@@]3(C)CCCS3)CC2)cc1 ZINC000862231793 621564187 /nfs/dbraw/zinc/56/41/87/621564187.db2.gz MPZDCGLVVBHEEZ-GOSISDBHSA-N 1 1 320.502 3.493 20 10 DGCDMO CSC[C@@H]1CCC[N@H+]1Cc1c(O)cccc1Br ZINC000862251065 621567778 /nfs/dbraw/zinc/56/77/78/621567778.db2.gz ZSQWAUMPYJDLAQ-JTQLQIEISA-N 1 1 316.264 3.482 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1F ZINC000862252412 621567876 /nfs/dbraw/zinc/56/78/76/621567876.db2.gz TWJVLSKDOZJSIH-BLLLJJGKSA-N 1 1 310.388 3.032 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1F ZINC000862252414 621568337 /nfs/dbraw/zinc/56/83/37/621568337.db2.gz TWJVLSKDOZJSIH-LRDDRELGSA-N 1 1 310.388 3.032 20 10 DGCDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862371431 621580585 /nfs/dbraw/zinc/58/05/85/621580585.db2.gz IWPAECBSOPKVEX-QGZVFWFLSA-N 1 1 312.404 3.015 20 10 DGCDMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@]1(C)CCCS1 ZINC000862397954 621584644 /nfs/dbraw/zinc/58/46/44/621584644.db2.gz RLTOYKOFQZGSCA-QGZVFWFLSA-N 1 1 323.458 3.043 20 10 DGCDMO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@]1(C)CCCS1 ZINC000862397954 621584645 /nfs/dbraw/zinc/58/46/45/621584645.db2.gz RLTOYKOFQZGSCA-QGZVFWFLSA-N 1 1 323.458 3.043 20 10 DGCDMO FCC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000862529378 621596896 /nfs/dbraw/zinc/59/68/96/621596896.db2.gz CQJYQUPXBADMHD-GOSISDBHSA-N 1 1 306.425 3.237 20 10 DGCDMO FCC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000862529378 621596899 /nfs/dbraw/zinc/59/68/99/621596899.db2.gz CQJYQUPXBADMHD-GOSISDBHSA-N 1 1 306.425 3.237 20 10 DGCDMO COc1ccc(O)c([C@@H](C)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000756422730 621637658 /nfs/dbraw/zinc/63/76/58/621637658.db2.gz NLWKZURQECCJSI-OWCLPIDISA-N 1 1 320.477 3.419 20 10 DGCDMO COc1ccc(O)c([C@@H](C)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000756422730 621637660 /nfs/dbraw/zinc/63/76/60/621637660.db2.gz NLWKZURQECCJSI-OWCLPIDISA-N 1 1 320.477 3.419 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1ccc(F)cc1O ZINC000756458188 621639571 /nfs/dbraw/zinc/63/95/71/621639571.db2.gz UGCVLBJGTCJWAK-OLZOCXBDSA-N 1 1 301.361 3.433 20 10 DGCDMO C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1cc(F)cc(F)c1O ZINC000756494843 621641948 /nfs/dbraw/zinc/64/19/48/621641948.db2.gz OLZTTZMUSCQSBH-GXFFZTMASA-N 1 1 305.324 3.325 20 10 DGCDMO CC[NH+]1CCC(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756534670 621646022 /nfs/dbraw/zinc/64/60/22/621646022.db2.gz MFWRXWQTFWGWIN-WFASDCNBSA-N 1 1 306.425 3.401 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c1 ZINC000756625382 621653508 /nfs/dbraw/zinc/65/35/08/621653508.db2.gz KAAFRRRCVLKHEO-BKGUAONASA-N 1 1 321.417 3.033 20 10 DGCDMO CC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)C1CCOCC1 ZINC000756628511 621654029 /nfs/dbraw/zinc/65/40/29/621654029.db2.gz NKSOGWOSFKRRDD-BLLLJJGKSA-N 1 1 321.417 3.035 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(C(C)C)s2)c1 ZINC000756639796 621654978 /nfs/dbraw/zinc/65/49/78/621654978.db2.gz FOPLTMUNLXNHRW-SNVBAGLBSA-N 1 1 307.419 3.227 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1cc(F)cc(F)c1O ZINC000756640157 621655095 /nfs/dbraw/zinc/65/50/95/621655095.db2.gz KEDTYSXKICRMOF-PSASIEDQSA-N 1 1 305.415 3.170 20 10 DGCDMO C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cc(F)cc(F)c1O ZINC000756713035 621659941 /nfs/dbraw/zinc/65/99/41/621659941.db2.gz SNGYICKWAUVLAZ-RFAUZJTJSA-N 1 1 311.303 3.194 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1O ZINC000756760155 621662932 /nfs/dbraw/zinc/66/29/32/621662932.db2.gz IMYWOHPIMSBRNC-WBMJQRKESA-N 1 1 320.408 3.116 20 10 DGCDMO CCC[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CC[NH2+]CC1 ZINC000843045383 621695542 /nfs/dbraw/zinc/69/55/42/621695542.db2.gz WBLBJYLFZCIFGI-UHFFFAOYSA-N 1 1 300.805 3.149 20 10 DGCDMO COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000757658164 621731456 /nfs/dbraw/zinc/73/14/56/621731456.db2.gz 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318.804 3.425 20 10 DGCDMO Cc1cccc(C[NH+]2CCN(Cc3cc(C)ccc3O)CC2)c1 ZINC000768194543 622445141 /nfs/dbraw/zinc/44/51/41/622445141.db2.gz AMGDHULIOJRRSF-UHFFFAOYSA-N 1 1 310.441 3.327 20 10 DGCDMO Cc1ccc(O)c(CN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000768216212 622445990 /nfs/dbraw/zinc/44/59/90/622445990.db2.gz RBFYEPCNNWQYFP-UHFFFAOYSA-N 1 1 310.441 3.061 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)c(O)cc1C ZINC000768438989 622455692 /nfs/dbraw/zinc/45/56/92/622455692.db2.gz DSDWYQWYNFKRFJ-CQSZACIVSA-N 1 1 302.374 3.343 20 10 DGCDMO CC[N@@H+](Cc1ccccc1C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440456 622456013 /nfs/dbraw/zinc/45/60/13/622456013.db2.gz WHXVPGKPBDAFOK-GOSISDBHSA-N 1 1 313.397 3.149 20 10 DGCDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000768443049 622456319 /nfs/dbraw/zinc/45/63/19/622456319.db2.gz YBQMOZWONSGMHX-WMLDXEAASA-N 1 1 324.424 3.145 20 10 DGCDMO CC(C)(C)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768445156 622456923 /nfs/dbraw/zinc/45/69/23/622456923.db2.gz QEYVBTQFPLLXSW-CZUORRHYSA-N 1 1 305.418 3.219 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCCC3(CCCCC3)C1)[C@H](O)CO2 ZINC000768447962 622457070 /nfs/dbraw/zinc/45/70/70/622457070.db2.gz SBORZIPCLNJOFO-QGZVFWFLSA-N 1 1 317.429 3.364 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]3COCC[C@@H]31)CCCC2 ZINC000768462610 622457964 /nfs/dbraw/zinc/45/79/64/622457964.db2.gz ANSFZJFHZJOIAK-AEFFLSMTSA-N 1 1 301.430 3.272 20 10 DGCDMO COc1cc(C[N@H+]2CCc3c(F)cccc3C2)c(O)cc1C ZINC000768465396 622458054 /nfs/dbraw/zinc/45/80/54/622458054.db2.gz KUJOVXJETOPCKA-UHFFFAOYSA-N 1 1 301.361 3.407 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)nnn2C ZINC000768532703 622462362 /nfs/dbraw/zinc/46/23/62/622462362.db2.gz FBNRABRMJIYWBW-UHFFFAOYSA-N 1 1 323.444 3.056 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCC[C@H](CCOC)C2)c(O)c1 ZINC000768542791 622463926 /nfs/dbraw/zinc/46/39/26/622463926.db2.gz ZHEOYOJFZVRYCX-OAHLLOKOSA-N 1 1 307.434 3.430 20 10 DGCDMO CCN(CC)CC[N@H+](Cc1cccc(OC)c1O)CC(C)C 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306.450 3.097 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)[C@H](CC)CN1C(C)=O ZINC000769494944 622533992 /nfs/dbraw/zinc/53/39/92/622533992.db2.gz CBEKDRZYYLBGND-HZPDHXFCSA-N 1 1 324.852 3.267 20 10 DGCDMO CCOc1ccc(C[N@H+](C)Cc2ncc(CC)s2)c(O)c1 ZINC000769523426 622538078 /nfs/dbraw/zinc/53/80/78/622538078.db2.gz BEDSBSIGWUAFLG-UHFFFAOYSA-N 1 1 306.431 3.442 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)Cc2ncc(CC)s2)c(O)c1 ZINC000769523426 622538082 /nfs/dbraw/zinc/53/80/82/622538082.db2.gz BEDSBSIGWUAFLG-UHFFFAOYSA-N 1 1 306.431 3.442 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@@H+](C)C[C@H](C)C(=O)NC)cc1 ZINC000769570141 622541486 /nfs/dbraw/zinc/54/14/86/622541486.db2.gz XGGGECKSKIXVKI-INIZCTEOSA-N 1 1 319.493 3.127 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000770377266 622626856 /nfs/dbraw/zinc/62/68/56/622626856.db2.gz ZDOVDLWKJIYLQG-CABCVRRESA-N 1 1 305.418 3.039 20 10 DGCDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1O ZINC000770504529 622640600 /nfs/dbraw/zinc/64/06/00/622640600.db2.gz IJPPRGIEEZUEDH-DZGCQCFKSA-N 1 1 320.433 3.270 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000771935585 622820250 /nfs/dbraw/zinc/82/02/50/622820250.db2.gz YSFJWXUUVPLEAM-HXUWFJFHSA-N 1 1 309.457 3.241 20 10 DGCDMO CN(C)c1ccc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000771935585 622820255 /nfs/dbraw/zinc/82/02/55/622820255.db2.gz YSFJWXUUVPLEAM-HXUWFJFHSA-N 1 1 309.457 3.241 20 10 DGCDMO CN(C)c1ccc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000771935585 622820259 /nfs/dbraw/zinc/82/02/59/622820259.db2.gz YSFJWXUUVPLEAM-HXUWFJFHSA-N 1 1 309.457 3.241 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](OC3CCC3)CC1)OCO2 ZINC000872260931 622871367 /nfs/dbraw/zinc/87/13/67/622871367.db2.gz WRUSOUJIZAJNBX-HNNXBMFYSA-N 1 1 319.401 3.045 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000872721926 622960105 /nfs/dbraw/zinc/96/01/05/622960105.db2.gz PMMLCVCSVLXDTH-KGLIPLIRSA-N 1 1 300.427 3.125 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](C(F)(F)F)CC1)CCC2 ZINC000872814675 622984067 /nfs/dbraw/zinc/98/40/67/622984067.db2.gz SYPXLAARROOHTM-OAHLLOKOSA-N 1 1 315.335 3.034 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1O ZINC000773262203 623005551 /nfs/dbraw/zinc/00/55/51/623005551.db2.gz OIZHEZOGFOTEFZ-CVEARBPZSA-N 1 1 319.445 3.348 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCCC2)cc1 ZINC000773747492 623066574 /nfs/dbraw/zinc/06/65/74/623066574.db2.gz GVWNBKZYBJIAOK-LJQANCHMSA-N 1 1 301.478 3.203 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2CN2CCCC2)cc1 ZINC000773747492 623066578 /nfs/dbraw/zinc/06/65/78/623066578.db2.gz GVWNBKZYBJIAOK-LJQANCHMSA-N 1 1 301.478 3.203 20 10 DGCDMO CCN(C)c1ccc(C[N@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1 ZINC000773757067 623068595 /nfs/dbraw/zinc/06/85/95/623068595.db2.gz YIFRJURBCFGZNN-LPHOPBHVSA-N 1 1 303.494 3.447 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1 ZINC000773757067 623068601 /nfs/dbraw/zinc/06/86/01/623068601.db2.gz YIFRJURBCFGZNN-LPHOPBHVSA-N 1 1 303.494 3.447 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000773773736 623071390 /nfs/dbraw/zinc/07/13/90/623071390.db2.gz AICOAJDUAHGZKL-FQEVSTJZSA-N 1 1 310.441 3.234 20 10 DGCDMO CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000873224209 623081455 /nfs/dbraw/zinc/08/14/55/623081455.db2.gz XPNYHIIOEZVVGW-INIZCTEOSA-N 1 1 314.832 3.382 20 10 DGCDMO COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774254826 623125072 /nfs/dbraw/zinc/12/50/72/623125072.db2.gz RDVSQGHNURNERI-UWVGGRQHSA-N 1 1 322.232 3.401 20 10 DGCDMO C[C@H]([NH2+][C@H](CO)CC(F)F)c1cc(Cl)c(Cl)cc1O ZINC000774381345 623138378 /nfs/dbraw/zinc/13/83/78/623138378.db2.gz MGMJIXDGDKSOQI-BQBZGAKWSA-N 1 1 314.159 3.366 20 10 DGCDMO COc1c(O)c(C[NH2+]CCC2CCCCC2)ccc1[N+](=O)[O-] ZINC000774963874 623211941 /nfs/dbraw/zinc/21/19/41/623211941.db2.gz LQKQZPVNOLLRKC-UHFFFAOYSA-N 1 1 308.378 3.369 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774982975 623213789 /nfs/dbraw/zinc/21/37/89/623213789.db2.gz HHJHRSUXMNYVDV-RYUDHWBXSA-N 1 1 308.378 3.225 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775016102 623216896 /nfs/dbraw/zinc/21/68/96/623216896.db2.gz NZTATAILVIYSHS-NTZNESFSSA-N 1 1 308.378 3.223 20 10 DGCDMO CCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCC1 ZINC000775034090 623218943 /nfs/dbraw/zinc/21/89/43/623218943.db2.gz QPWRBSJSLUDQOH-UHFFFAOYSA-N 1 1 308.378 3.369 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000775096500 623230655 /nfs/dbraw/zinc/23/06/55/623230655.db2.gz CQQQFXUDYJTSIM-GFCCVEGCSA-N 1 1 308.378 3.177 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000775096500 623230657 /nfs/dbraw/zinc/23/06/57/623230657.db2.gz CQQQFXUDYJTSIM-GFCCVEGCSA-N 1 1 308.378 3.177 20 10 DGCDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1cc(F)ccc1O ZINC000775185798 623239694 /nfs/dbraw/zinc/23/96/94/623239694.db2.gz WKJURRGHRZSJGB-QGZVFWFLSA-N 1 1 309.381 3.229 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)cc2)CC1 ZINC000775630587 623299806 /nfs/dbraw/zinc/29/98/06/623299806.db2.gz MHSAWJHTKRBFJB-HXUWFJFHSA-N 1 1 324.472 3.104 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)cc2)CC1 ZINC000775630587 623299810 /nfs/dbraw/zinc/29/98/10/623299810.db2.gz MHSAWJHTKRBFJB-HXUWFJFHSA-N 1 1 324.472 3.104 20 10 DGCDMO Cc1cccc(CN2CC[NH+](CCc3ccccc3)CC2)c1O ZINC000775644625 623302835 /nfs/dbraw/zinc/30/28/35/623302835.db2.gz LIXDHLNFLCSTTB-UHFFFAOYSA-N 1 1 310.441 3.061 20 10 DGCDMO Cc1cccc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2)c1O ZINC000775647945 623303923 /nfs/dbraw/zinc/30/39/23/623303923.db2.gz IWQVQUZDZLWBKP-IBGZPJMESA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1cccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000775647945 623303925 /nfs/dbraw/zinc/30/39/25/623303925.db2.gz IWQVQUZDZLWBKP-IBGZPJMESA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1cccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000775647945 623303928 /nfs/dbraw/zinc/30/39/28/623303928.db2.gz IWQVQUZDZLWBKP-IBGZPJMESA-N 1 1 310.441 3.407 20 10 DGCDMO CC[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775654239 623304313 /nfs/dbraw/zinc/30/43/13/623304313.db2.gz JKYMZOQIPFGBCC-KRWDZBQOSA-N 1 1 301.478 3.060 20 10 DGCDMO CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775654239 623304321 /nfs/dbraw/zinc/30/43/21/623304321.db2.gz JKYMZOQIPFGBCC-KRWDZBQOSA-N 1 1 301.478 3.060 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1O ZINC000775654202 623305426 /nfs/dbraw/zinc/30/54/26/623305426.db2.gz IGPJVJPXORXTFR-CYBMUJFWSA-N 1 1 303.324 3.244 20 10 DGCDMO CC(C)[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)CC1CC1 ZINC000775656787 623305915 /nfs/dbraw/zinc/30/59/15/623305915.db2.gz MQURUXWNWLQAMI-UHFFFAOYSA-N 1 1 301.478 3.059 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)CC1CC1 ZINC000775656787 623305920 /nfs/dbraw/zinc/30/59/20/623305920.db2.gz MQURUXWNWLQAMI-UHFFFAOYSA-N 1 1 301.478 3.059 20 10 DGCDMO CCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775658821 623306009 /nfs/dbraw/zinc/30/60/09/623306009.db2.gz SUIYRZLVQKZIAI-UHFFFAOYSA-N 1 1 314.832 3.491 20 10 DGCDMO C[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775663846 623308219 /nfs/dbraw/zinc/30/82/19/623308219.db2.gz FHCTYSUPFBYFAJ-KRWDZBQOSA-N 1 1 301.478 3.060 20 10 DGCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775663846 623308221 /nfs/dbraw/zinc/30/82/21/623308221.db2.gz FHCTYSUPFBYFAJ-KRWDZBQOSA-N 1 1 301.478 3.060 20 10 DGCDMO CC(C)(C)[N@@H+]1CCCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775665273 623309074 /nfs/dbraw/zinc/30/90/74/623309074.db2.gz KBGUEPFEKLXICB-UHFFFAOYSA-N 1 1 314.832 3.491 20 10 DGCDMO CC(C)(C)[N@H+]1CCCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775665273 623309078 /nfs/dbraw/zinc/30/90/78/623309078.db2.gz KBGUEPFEKLXICB-UHFFFAOYSA-N 1 1 314.832 3.491 20 10 DGCDMO Cc1cccc(C[N@@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)c1O ZINC000775724561 623319572 /nfs/dbraw/zinc/31/95/72/623319572.db2.gz LUUNEQLZYQCSNW-LJQANCHMSA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1cccc(CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1O ZINC000775724561 623319576 /nfs/dbraw/zinc/31/95/76/623319576.db2.gz LUUNEQLZYQCSNW-LJQANCHMSA-N 1 1 310.441 3.407 20 10 DGCDMO Cc1cccc(CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1O ZINC000775724561 623319581 /nfs/dbraw/zinc/31/95/81/623319581.db2.gz LUUNEQLZYQCSNW-LJQANCHMSA-N 1 1 310.441 3.407 20 10 DGCDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCN1C ZINC000775986217 623361122 /nfs/dbraw/zinc/36/11/22/623361122.db2.gz PYYNKKTYMBBSCS-IAGOWNOFSA-N 1 1 301.478 3.201 20 10 DGCDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000775986217 623361127 /nfs/dbraw/zinc/36/11/27/623361127.db2.gz PYYNKKTYMBBSCS-IAGOWNOFSA-N 1 1 301.478 3.201 20 10 DGCDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000775986217 623361134 /nfs/dbraw/zinc/36/11/34/623361134.db2.gz PYYNKKTYMBBSCS-IAGOWNOFSA-N 1 1 301.478 3.201 20 10 DGCDMO C[N@@H+](Cc1ccsc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876548840 623640324 /nfs/dbraw/zinc/64/03/24/623640324.db2.gz VENSZMALNZTZOY-UHFFFAOYSA-N 1 1 316.470 3.341 20 10 DGCDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876571629 623647602 /nfs/dbraw/zinc/64/76/02/623647602.db2.gz BFVRBMWSWIXECS-HNNXBMFYSA-N 1 1 314.429 3.434 20 10 DGCDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876579484 623650373 /nfs/dbraw/zinc/65/03/73/623650373.db2.gz SUOXROOQEPRDTA-IBGZPJMESA-N 1 1 302.462 3.268 20 10 DGCDMO CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876625522 623663258 /nfs/dbraw/zinc/66/32/58/623663258.db2.gz XNHUXENWDKLJJF-UHFFFAOYSA-N 1 1 312.404 3.223 20 10 DGCDMO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(C)cc1O)C2 ZINC000876629493 623665023 /nfs/dbraw/zinc/66/50/23/623665023.db2.gz HNIFILXJXXOEGB-UHFFFAOYSA-N 1 1 310.397 3.217 20 10 DGCDMO Cc1cccc(O)c1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000876635214 623665560 /nfs/dbraw/zinc/66/55/60/623665560.db2.gz PUXIQTDBARLYBE-MRXNPFEDSA-N 1 1 301.386 3.475 20 10 DGCDMO Cc1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c(O)c1 ZINC000876635597 623665585 /nfs/dbraw/zinc/66/55/85/623665585.db2.gz ZFTXPPGEPYGWKM-KRWDZBQOSA-N 1 1 301.386 3.475 20 10 DGCDMO CCC[N@@H+](Cc1cnc2c(cnn2C)c1)Cc1ccccc1O ZINC000876654878 623671428 /nfs/dbraw/zinc/67/14/28/623671428.db2.gz SJUPWLCGCYKWJS-UHFFFAOYSA-N 1 1 310.401 3.086 20 10 DGCDMO Cc1ccc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c(O)c1 ZINC000876773497 623702682 /nfs/dbraw/zinc/70/26/82/623702682.db2.gz SKVICCNFPPVZPI-NRFANRHFSA-N 1 1 303.427 3.070 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000876810521 623711914 /nfs/dbraw/zinc/71/19/14/623711914.db2.gz ANJPUINYTUSPRM-MAUKXSAKSA-N 1 1 300.446 3.149 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000876810521 623711918 /nfs/dbraw/zinc/71/19/18/623711918.db2.gz ANJPUINYTUSPRM-MAUKXSAKSA-N 1 1 300.446 3.149 20 10 DGCDMO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1ccccc1O ZINC000779034582 623723904 /nfs/dbraw/zinc/72/39/04/623723904.db2.gz YOGUSDQNJYHDSE-SJORKVTESA-N 1 1 317.429 3.336 20 10 DGCDMO CCOC[C@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000779075288 623727678 /nfs/dbraw/zinc/72/76/78/623727678.db2.gz XPYHOLQMOVCGAA-DTWKUNHWSA-N 1 1 320.202 3.369 20 10 DGCDMO Cc1cccc(O)c1CNc1cccc(C[NH+]2CCOCC2)c1 ZINC000876851507 623727907 /nfs/dbraw/zinc/72/79/07/623727907.db2.gz KNUNJIFGCVULNB-UHFFFAOYSA-N 1 1 312.413 3.145 20 10 DGCDMO C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876933260 623747537 /nfs/dbraw/zinc/74/75/37/623747537.db2.gz KOLGYOIMCMBHMF-CYBMUJFWSA-N 1 1 312.404 3.415 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000877560849 623941290 /nfs/dbraw/zinc/94/12/90/623941290.db2.gz BWDWXOWUWZOEDU-IEBWSBKVSA-N 1 1 315.388 3.001 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000877572206 623947635 /nfs/dbraw/zinc/94/76/35/623947635.db2.gz NOSCTOJMFJPZHT-GFCCVEGCSA-N 1 1 316.367 3.017 20 10 DGCDMO Cc1cccc(O)c1C[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000877575827 623949404 /nfs/dbraw/zinc/94/94/04/623949404.db2.gz FRBHFUNQHPXROV-UHFFFAOYSA-N 1 1 316.367 3.159 20 10 DGCDMO COC(=O)c1oc(C[NH2+]Cc2c(O)cccc2Cl)cc1C ZINC000877693585 623994090 /nfs/dbraw/zinc/99/40/90/623994090.db2.gz LEORKOSZKNUUPG-UHFFFAOYSA-N 1 1 309.749 3.023 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2Cc3cccc(O)c3C2)c1O ZINC000877702765 623997570 /nfs/dbraw/zinc/99/75/70/623997570.db2.gz HAZRTZWFAVBGPZ-UHFFFAOYSA-N 1 1 305.761 3.276 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2Cc3cccc(O)c3C2)c1O ZINC000877702765 623997576 /nfs/dbraw/zinc/99/75/76/623997576.db2.gz HAZRTZWFAVBGPZ-UHFFFAOYSA-N 1 1 305.761 3.276 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c1O ZINC000877739721 624012489 /nfs/dbraw/zinc/01/24/89/624012489.db2.gz SXVIATAQTJEOOY-CMPLNLGQSA-N 1 1 313.850 3.239 20 10 DGCDMO CCN(C(C)=O)c1nc(C[NH2+][C@@H](C)c2ccccc2O)cs1 ZINC000877757356 624023318 /nfs/dbraw/zinc/02/33/18/624023318.db2.gz SNEZPEUDRDCBAI-NSHDSACASA-N 1 1 319.430 3.072 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000877820068 624051583 /nfs/dbraw/zinc/05/15/83/624051583.db2.gz GDZWTSBHARCXTN-BXUZGUMPSA-N 1 1 303.324 3.242 20 10 DGCDMO COCCC(C)(C)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000781633480 624111769 /nfs/dbraw/zinc/11/17/69/624111769.db2.gz VSUBDUGTFKTINW-UHFFFAOYSA-N 1 1 316.239 3.368 20 10 DGCDMO CCCC[N@H+](CCO)Cc1cc(C)cc(Br)c1O ZINC000781895906 624166702 /nfs/dbraw/zinc/16/67/02/624166702.db2.gz YPIYVADCZZFNRX-UHFFFAOYSA-N 1 1 316.239 3.058 20 10 DGCDMO CCCC[N@@H+](CCO)Cc1cc(C)cc(Br)c1O ZINC000781895906 624166703 /nfs/dbraw/zinc/16/67/03/624166703.db2.gz YPIYVADCZZFNRX-UHFFFAOYSA-N 1 1 316.239 3.058 20 10 DGCDMO c1cc2c(s1)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000127060859 624252787 /nfs/dbraw/zinc/25/27/87/624252787.db2.gz SMPLAZHIWLZQMX-UHFFFAOYSA-N 1 1 314.454 3.143 20 10 DGCDMO CC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C[C@@H](C)OC ZINC000782462558 624254504 /nfs/dbraw/zinc/25/45/04/624254504.db2.gz DDPRSMUCKJJBBW-MRXNPFEDSA-N 1 1 320.477 3.159 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H](C)[C@H](C)O1 ZINC000783539835 624363635 /nfs/dbraw/zinc/36/36/35/624363635.db2.gz DCEOFHVRXLQKBS-AGIUHOORSA-N 1 1 307.434 3.393 20 10 DGCDMO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000790934286 625718325 /nfs/dbraw/zinc/71/83/25/625718325.db2.gz JTQPVNNUOFFOIO-QWRGUYRKSA-N 1 1 301.789 3.310 20 10 DGCDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000790934286 625718332 /nfs/dbraw/zinc/71/83/32/625718332.db2.gz JTQPVNNUOFFOIO-QWRGUYRKSA-N 1 1 301.789 3.310 20 10 DGCDMO COc1ccc2c(c1)CC[N@H+](Cc1c(O)cccc1OC)CC2 ZINC000784680214 624571071 /nfs/dbraw/zinc/57/10/71/624571071.db2.gz QAOORDQUXHRIRV-UHFFFAOYSA-N 1 1 313.397 3.010 20 10 DGCDMO CCS[C@H](C)c1noc(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000879648610 624621011 /nfs/dbraw/zinc/62/10/11/624621011.db2.gz WGIXGMFBBCWMIG-GHMZBOCLSA-N 1 1 307.419 3.440 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1nnnn1C1CCCCC1 ZINC000879650450 624624565 /nfs/dbraw/zinc/62/45/65/624624565.db2.gz ALHNYWBWHKSHDM-STQMWFEESA-N 1 1 315.421 3.296 20 10 DGCDMO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000786574833 624923591 /nfs/dbraw/zinc/92/35/91/624923591.db2.gz GQQRLOJFGBESKX-CIUDSAMLSA-N 1 1 320.202 3.368 20 10 DGCDMO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788590849 625221618 /nfs/dbraw/zinc/22/16/18/625221618.db2.gz HBEZBEANPYSSOV-OPQQBVKSSA-N 1 1 305.340 3.469 20 10 DGCDMO COCCOC[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788666752 625238345 /nfs/dbraw/zinc/23/83/45/625238345.db2.gz SKVZDPZAYFFOOF-QWRGUYRKSA-N 1 1 321.339 3.113 20 10 DGCDMO C[C@@H](CO)CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788685103 625243426 /nfs/dbraw/zinc/24/34/26/625243426.db2.gz GQCUBBBQKHNXEU-GHMZBOCLSA-N 1 1 305.340 3.470 20 10 DGCDMO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788756237 625259593 /nfs/dbraw/zinc/25/95/93/625259593.db2.gz VPDNRTVSSDMBPT-YIZUVKHSSA-N 1 1 303.324 3.389 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1cccc(C(F)(F)F)c1O ZINC000788777021 625265286 /nfs/dbraw/zinc/26/52/86/625265286.db2.gz RVBSYBJTGSJRGF-GHMZBOCLSA-N 1 1 303.324 3.488 20 10 DGCDMO C[C@H](COCC(F)(F)F)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790961908 625722765 /nfs/dbraw/zinc/72/27/65/625722765.db2.gz DOYZIWVZIYJUNH-SSDOTTSWSA-N 1 1 315.694 3.242 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCCc1nccs1 ZINC000790966809 625725052 /nfs/dbraw/zinc/72/50/52/625725052.db2.gz NPQCXMPQURWETK-UHFFFAOYSA-N 1 1 300.786 3.364 20 10 DGCDMO C[C@@]1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCO[C@@H]1C1CC1 ZINC000790990916 625732646 /nfs/dbraw/zinc/73/26/46/625732646.db2.gz NIYHYKLIBAZOLH-CVEARBPZSA-N 1 1 313.800 3.480 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000882887604 625846964 /nfs/dbraw/zinc/84/69/64/625846964.db2.gz AGRACLHLGKJBFY-CYBMUJFWSA-N 1 1 318.367 3.287 20 10 DGCDMO C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000882892050 625848627 /nfs/dbraw/zinc/84/86/27/625848627.db2.gz LOMGWNCDFOTICL-ZDUSSCGKSA-N 1 1 312.404 3.272 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000883051066 625910578 /nfs/dbraw/zinc/91/05/78/625910578.db2.gz MJQAWIDAICGBJI-UHFFFAOYSA-N 1 1 319.307 3.178 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000883076298 625917016 /nfs/dbraw/zinc/91/70/16/625917016.db2.gz ZJFLPMLJBJPHRV-APHBMKBZSA-N 1 1 309.356 3.108 20 10 DGCDMO COC[C@H]1CCCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792175666 625920982 /nfs/dbraw/zinc/92/09/82/625920982.db2.gz XOKYGTNCZZDMPQ-NSHDSACASA-N 1 1 301.789 3.433 20 10 DGCDMO COC[C@H]1CCCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792175666 625920988 /nfs/dbraw/zinc/92/09/88/625920988.db2.gz XOKYGTNCZZDMPQ-NSHDSACASA-N 1 1 301.789 3.433 20 10 DGCDMO CC[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(F)cc1O ZINC000796691814 626073597 /nfs/dbraw/zinc/07/35/97/626073597.db2.gz DWEALQMLINPYFS-OAHLLOKOSA-N 1 1 303.381 3.233 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1ccc(F)cc1O ZINC000796696809 626074067 /nfs/dbraw/zinc/07/40/67/626074067.db2.gz TVBUTBAFJYDGJZ-MRXNPFEDSA-N 1 1 316.376 3.132 20 10 DGCDMO CC[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1O ZINC000796837323 626088082 /nfs/dbraw/zinc/08/80/82/626088082.db2.gz WOFGEKQBNWATDA-HOCLYGCPSA-N 1 1 323.408 3.300 20 10 DGCDMO CC[C@H]([NH2+][C@@H](CO)Cc1ccccc1C)c1ccc(F)cc1O ZINC000796959206 626099833 /nfs/dbraw/zinc/09/98/33/626099833.db2.gz LVPHIPBKPZRZGX-AEFFLSMTSA-N 1 1 317.404 3.484 20 10 DGCDMO CC[C@@H]([NH2+][C@@H](CO)Cc1cccc(C)c1)c1ccc(F)cc1O ZINC000796959507 626100001 /nfs/dbraw/zinc/10/00/01/626100001.db2.gz QPXCLMKEDKORHZ-SJLPKXTDSA-N 1 1 317.404 3.484 20 10 DGCDMO C[C@H]([NH2+]CCCn1cccn1)c1cccc(C(F)(F)F)c1O ZINC000798181783 626200501 /nfs/dbraw/zinc/20/05/01/626200501.db2.gz ZDYJAXRNLRLFOQ-NSHDSACASA-N 1 1 313.323 3.348 20 10 DGCDMO CN(C)c1ccc(C[N@H+](Cc2cnc(Cl)cn2)C2CC2)cc1 ZINC000799113675 626272916 /nfs/dbraw/zinc/27/29/16/626272916.db2.gz JOYKPEVFOFRNGK-UHFFFAOYSA-N 1 1 316.836 3.361 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](Cc2cnc(Cl)cn2)C2CC2)cc1 ZINC000799113675 626272918 /nfs/dbraw/zinc/27/29/18/626272918.db2.gz JOYKPEVFOFRNGK-UHFFFAOYSA-N 1 1 316.836 3.361 20 10 DGCDMO OCC[C@H](Cc1ccccc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000799350644 626294274 /nfs/dbraw/zinc/29/42/74/626294274.db2.gz WQJFVYORIQGMNX-CYBMUJFWSA-N 1 1 323.795 3.268 20 10 DGCDMO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000799371880 626296687 /nfs/dbraw/zinc/29/66/87/626296687.db2.gz HCKBTFHJOOGHJR-GJZGRUSLSA-N 1 1 311.809 3.295 20 10 DGCDMO CC(C)COCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000800356772 626353715 /nfs/dbraw/zinc/35/37/15/626353715.db2.gz WQIUCQKYLNCCKO-KRWDZBQOSA-N 1 1 307.434 3.046 20 10 DGCDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000800858363 626379709 /nfs/dbraw/zinc/37/97/09/626379709.db2.gz MAOKPTVAYYGWEF-HNNXBMFYSA-N 1 1 322.412 3.054 20 10 DGCDMO CCCC[N@@H+](CC(=O)NC1CCCCC1)Cc1ccccc1O ZINC000801595633 626411378 /nfs/dbraw/zinc/41/13/78/626411378.db2.gz GRKTUCCUOHAQIR-UHFFFAOYSA-N 1 1 318.461 3.443 20 10 DGCDMO CCCC[N@@H+](CCCc1cnn(C)c1)Cc1ccccc1O ZINC000801594908 626411451 /nfs/dbraw/zinc/41/14/51/626411451.db2.gz CZGJYRIWZHXVKX-UHFFFAOYSA-N 1 1 301.434 3.361 20 10 DGCDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2O)C1 ZINC000802654631 626565324 /nfs/dbraw/zinc/56/53/24/626565324.db2.gz LINYREBCODODSX-GOSISDBHSA-N 1 1 320.433 3.129 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1cccs1 ZINC000883288427 626637538 /nfs/dbraw/zinc/63/75/38/626637538.db2.gz DWKGCJUMOSVFFN-OAHLLOKOSA-N 1 1 315.486 3.351 20 10 DGCDMO COCC[N@H+](Cc1cc(Br)ccc1O)CC(C)C ZINC000132648442 626732353 /nfs/dbraw/zinc/73/23/53/626732353.db2.gz FIANFFHWEHSNJS-UHFFFAOYSA-N 1 1 316.239 3.259 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000840095846 626758022 /nfs/dbraw/zinc/75/80/22/626758022.db2.gz JFWSTRYPDSNXQW-MOPGFXCFSA-N 1 1 310.397 3.084 20 10 DGCDMO COC[C@@]1(C)CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000840105953 626763738 /nfs/dbraw/zinc/76/37/38/626763738.db2.gz HAKLUFXLEMRKKR-IBGZPJMESA-N 1 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/nfs/dbraw/zinc/93/98/92/626939892.db2.gz CWFHBSPBKDDEAF-INIZCTEOSA-N 1 1 320.433 3.062 20 10 DGCDMO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(Cl)ccc1O ZINC000809712918 626940091 /nfs/dbraw/zinc/94/00/91/626940091.db2.gz AZHOHMPNRCNYIY-UHFFFAOYSA-N 1 1 324.852 3.270 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](C)CCCN(C)Cc2ccco2)c1 ZINC000809717895 626940489 /nfs/dbraw/zinc/94/04/89/626940489.db2.gz CDEKZRRQBFSTAV-UHFFFAOYSA-N 1 1 302.418 3.248 20 10 DGCDMO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000809720427 626941011 /nfs/dbraw/zinc/94/10/11/626941011.db2.gz GGWLIAPEULRGQV-HNNXBMFYSA-N 1 1 324.396 3.020 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(C)no2)c(O)c1 ZINC000809718652 626941235 /nfs/dbraw/zinc/94/12/35/626941235.db2.gz MMCMBYJVVGXWCC-OAHLLOKOSA-N 1 1 317.389 3.210 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(C)no2)c(O)c1 ZINC000809718652 626941237 /nfs/dbraw/zinc/94/12/37/626941237.db2.gz MMCMBYJVVGXWCC-OAHLLOKOSA-N 1 1 317.389 3.210 20 10 DGCDMO Cc1cccc(C[N@H+](CCN(C)C)Cc2ccc(F)cc2)c1O ZINC000809736507 626943484 /nfs/dbraw/zinc/94/34/84/626943484.db2.gz XVJRXDMWRZYNFQ-UHFFFAOYSA-N 1 1 316.420 3.404 20 10 DGCDMO Cc1cccc(C[N@@H+](CCN(C)C)Cc2ccc(F)cc2)c1O ZINC000809736507 626943486 /nfs/dbraw/zinc/94/34/86/626943486.db2.gz XVJRXDMWRZYNFQ-UHFFFAOYSA-N 1 1 316.420 3.404 20 10 DGCDMO CCN(CCC[NH+]1CCCC1)Cc1c(O)ccc(Cl)c1F ZINC000809749814 626946764 /nfs/dbraw/zinc/94/67/64/626946764.db2.gz KJWSASYLQPOBBQ-UHFFFAOYSA-N 1 1 314.832 3.493 20 10 DGCDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000809778730 626951138 /nfs/dbraw/zinc/95/11/38/626951138.db2.gz VIHJKLXAOVOYQS-CQSZACIVSA-N 1 1 324.852 3.092 20 10 DGCDMO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000810257055 626994005 /nfs/dbraw/zinc/99/40/05/626994005.db2.gz GQQRLOJFGBESKX-HRDYMLBCSA-N 1 1 320.202 3.368 20 10 DGCDMO CCc1nnc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)s1 ZINC000810259060 626994157 /nfs/dbraw/zinc/99/41/57/626994157.db2.gz AJHLZOZAJJUFKQ-SCZZXKLOSA-N 1 1 307.394 3.283 20 10 DGCDMO COC(=O)c1cnc(SC[C@@H]2CCCC[N@H+]2C(C)C)s1 ZINC000840209764 627046466 /nfs/dbraw/zinc/04/64/66/627046466.db2.gz BIGOZQICMYYBPS-NSHDSACASA-N 1 1 314.476 3.285 20 10 DGCDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000136825171 627103736 /nfs/dbraw/zinc/10/37/36/627103736.db2.gz KXVHPJKKOAEFOO-SJLPKXTDSA-N 1 1 302.462 3.270 20 10 DGCDMO C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1c(O)cccc1F ZINC000886504240 627154130 /nfs/dbraw/zinc/15/41/30/627154130.db2.gz XSNJIUZIQLUOKT-SNVBAGLBSA-N 1 1 308.319 3.066 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1c(O)cccc1F ZINC000886506206 627154486 /nfs/dbraw/zinc/15/44/86/627154486.db2.gz GWLWJIHJLSOFNY-WDEREUQCSA-N 1 1 320.330 3.066 20 10 DGCDMO C[C@@H]([NH2+]CCCCNc1ccccn1)c1c(O)cccc1F ZINC000886522817 627156807 /nfs/dbraw/zinc/15/68/07/627156807.db2.gz RDEJFYUYAQJJAR-CYBMUJFWSA-N 1 1 303.381 3.469 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1c(O)cccc1F ZINC000886548185 627160885 /nfs/dbraw/zinc/16/08/85/627160885.db2.gz YMKGHYKICXWYNQ-SJKOYZFVSA-N 1 1 301.361 3.496 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1c(O)cccc1F ZINC000886550110 627161327 /nfs/dbraw/zinc/16/13/27/627161327.db2.gz SKELGYGHIPOBAJ-FIKIJFGZSA-N 1 1 307.390 3.120 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1c(O)cccc1F ZINC000886588706 627168616 /nfs/dbraw/zinc/16/86/16/627168616.db2.gz XSCIHDKLIHXGKH-UKRRQHHQSA-N 1 1 303.377 3.176 20 10 DGCDMO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886640102 627178395 /nfs/dbraw/zinc/17/83/95/627178395.db2.gz RJJGCBZDOOJLRJ-IGCXYCKISA-N 1 1 303.377 3.347 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@H](c3ncccn3)C2)ccc1N(C)C ZINC000886688550 627190262 /nfs/dbraw/zinc/19/02/62/627190262.db2.gz VCVHKGHCEZNJTO-KRWDZBQOSA-N 1 1 310.445 3.231 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)c1ccc(F)cc1O ZINC000886771733 627202819 /nfs/dbraw/zinc/20/28/19/627202819.db2.gz MQANDXYOKKCDJF-CVRPBIKUSA-N 1 1 323.408 3.155 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(O)c1 ZINC000811510346 627285263 /nfs/dbraw/zinc/28/52/63/627285263.db2.gz CWLZGXJRXRSPDZ-IAGOWNOFSA-N 1 1 305.418 3.180 20 10 DGCDMO CC(C)(CO)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000811518606 627287022 /nfs/dbraw/zinc/28/70/22/627287022.db2.gz MLJUPHZDICCVBE-AWEZNQCLSA-N 1 1 301.789 3.071 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000814171268 627545711 /nfs/dbraw/zinc/54/57/11/627545711.db2.gz MWGGAGYSYZXMRU-MRXNPFEDSA-N 1 1 320.389 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC3(CCC3)[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000814171268 627545714 /nfs/dbraw/zinc/54/57/14/627545714.db2.gz MWGGAGYSYZXMRU-MRXNPFEDSA-N 1 1 320.389 3.320 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)c1 ZINC000814176392 627546202 /nfs/dbraw/zinc/54/62/02/627546202.db2.gz QHSJXKGLVDFQPI-CYBMUJFWSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)c1 ZINC000814176392 627546203 /nfs/dbraw/zinc/54/62/03/627546203.db2.gz QHSJXKGLVDFQPI-CYBMUJFWSA-N 1 1 303.324 3.242 20 10 DGCDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cc(F)ccc1O ZINC000814178064 627547356 /nfs/dbraw/zinc/54/73/56/627547356.db2.gz ANMMWXKADZESPJ-CYBMUJFWSA-N 1 1 318.367 3.381 20 10 DGCDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000815070933 627621933 /nfs/dbraw/zinc/62/19/33/627621933.db2.gz APJVSZIONUVRRC-APWZRJJASA-N 1 1 303.494 3.223 20 10 DGCDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000815070933 627621943 /nfs/dbraw/zinc/62/19/43/627621943.db2.gz APJVSZIONUVRRC-APWZRJJASA-N 1 1 303.494 3.223 20 10 DGCDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000815070933 627621946 /nfs/dbraw/zinc/62/19/46/627621946.db2.gz APJVSZIONUVRRC-APWZRJJASA-N 1 1 303.494 3.223 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@@H](N3CCCC3)C[C@H]2C)ccc1N(C)C ZINC000815118516 627630108 /nfs/dbraw/zinc/63/01/08/627630108.db2.gz WLGSIQPCIATWAS-AEFFLSMTSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(C[N@@H+]2C[C@@H](N3CCCC3)C[C@H]2C)ccc1N(C)C ZINC000815118516 627630111 /nfs/dbraw/zinc/63/01/11/627630111.db2.gz WLGSIQPCIATWAS-AEFFLSMTSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)ccc1N(C)C ZINC000815121338 627630739 /nfs/dbraw/zinc/63/07/39/627630739.db2.gz KYIZKHFHVICDHM-LJQANCHMSA-N 1 1 312.457 3.096 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000815121219 627630762 /nfs/dbraw/zinc/63/07/62/627630762.db2.gz SSAYZIDPBZKWAE-GOSISDBHSA-N 1 1 302.462 3.391 20 10 DGCDMO CCOCC(C)(C)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000815147934 627637743 /nfs/dbraw/zinc/63/77/43/627637743.db2.gz HVRDWLHQPONLOP-UHFFFAOYSA-N 1 1 316.239 3.368 20 10 DGCDMO C[C@@H]([NH2+]CCSCCCO)c1cccc(C(F)(F)F)c1O ZINC000815577808 627686042 /nfs/dbraw/zinc/68/60/42/627686042.db2.gz ZTESTELSZGZQPC-SNVBAGLBSA-N 1 1 323.380 3.177 20 10 DGCDMO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815572258 627686190 /nfs/dbraw/zinc/68/61/90/627686190.db2.gz YLFYJAMSPZONJC-WDEREUQCSA-N 1 1 305.340 3.469 20 10 DGCDMO C[C@H]([NH2+]CCSCCCO)c1cccc(C(F)(F)F)c1O ZINC000815577807 627686233 /nfs/dbraw/zinc/68/62/33/627686233.db2.gz ZTESTELSZGZQPC-JTQLQIEISA-N 1 1 323.380 3.177 20 10 DGCDMO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815583039 627687564 /nfs/dbraw/zinc/68/75/64/627687564.db2.gz VNHUGXZMNCUXPU-KBVBSXBZSA-N 1 1 323.380 3.174 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cccc(C(F)(F)F)c1O ZINC000815621573 627691847 /nfs/dbraw/zinc/69/18/47/627691847.db2.gz XPAPSGYRVDIIBG-OUJBWJOFSA-N 1 1 303.324 3.487 20 10 DGCDMO COCC[C@@H](COC)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815628383 627692871 /nfs/dbraw/zinc/69/28/71/627692871.db2.gz YTFNWZYARAJNES-QWRGUYRKSA-N 1 1 321.339 3.113 20 10 DGCDMO CC[C@H]([NH2+]CCC(C)(C)[NH3+])c1cc(Br)ccc1[O-] ZINC000925739587 627785320 /nfs/dbraw/zinc/78/53/20/627785320.db2.gz ZPJSHHWOEFKTFI-LBPRGKRZSA-N 1 1 315.255 3.323 20 10 DGCDMO C[C@@H](c1ccc(F)cc1O)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925753226 627788035 /nfs/dbraw/zinc/78/80/35/627788035.db2.gz FDSXCCRAHABFIS-NSHDSACASA-N 1 1 302.349 3.069 20 10 DGCDMO C[C@@H](c1ccc(F)cc1O)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753226 627788037 /nfs/dbraw/zinc/78/80/37/627788037.db2.gz FDSXCCRAHABFIS-NSHDSACASA-N 1 1 302.349 3.069 20 10 DGCDMO Oc1cc(F)c(Cl)cc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000816503612 627798476 /nfs/dbraw/zinc/79/84/76/627798476.db2.gz FMROMRPKADGELF-CYBMUJFWSA-N 1 1 312.816 3.245 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cn2ccccc2n1 ZINC000816530069 627803095 /nfs/dbraw/zinc/80/30/95/627803095.db2.gz RRDDXCAXILTYKT-UHFFFAOYSA-N 1 1 305.740 3.122 20 10 DGCDMO O=C(CC[NH2+]Cc1cc(Cl)c(F)cc1O)Nc1ccccc1 ZINC000816549070 627805784 /nfs/dbraw/zinc/80/57/84/627805784.db2.gz CCAOASHZLITCKC-UHFFFAOYSA-N 1 1 322.767 3.303 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H](O)Cc1ccccc1 ZINC000816558122 627807403 /nfs/dbraw/zinc/80/74/03/627807403.db2.gz NULKTMDGAZDLIS-ZBEGNZNMSA-N 1 1 323.795 3.266 20 10 DGCDMO COCC1(C)CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816565580 627808250 /nfs/dbraw/zinc/80/82/50/627808250.db2.gz UHLUKHONEHJSCE-UHFFFAOYSA-N 1 1 301.789 3.433 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1F ZINC000816665982 627822247 /nfs/dbraw/zinc/82/22/47/627822247.db2.gz BHWGZONPNIWUKC-ZWKOTPCHSA-N 1 1 304.409 3.035 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1F ZINC000816665982 627822251 /nfs/dbraw/zinc/82/22/51/627822251.db2.gz BHWGZONPNIWUKC-ZWKOTPCHSA-N 1 1 304.409 3.035 20 10 DGCDMO COc1c(O)c(C[NH2+]CCC(C)(C)C2CC2)ccc1[N+](=O)[O-] ZINC000816664428 627822549 /nfs/dbraw/zinc/82/25/49/627822549.db2.gz LOPDYKAQIXHQSB-UHFFFAOYSA-N 1 1 308.378 3.225 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c1O ZINC000816667290 627823804 /nfs/dbraw/zinc/82/38/04/627823804.db2.gz IZJNXFJKCJTHPR-INIZCTEOSA-N 1 1 305.418 3.182 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000817419648 627897743 /nfs/dbraw/zinc/89/77/43/627897743.db2.gz VQKXQLINIAYUAE-YZTRRJNXSA-N 1 1 302.462 3.250 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC000817938252 627966298 /nfs/dbraw/zinc/96/62/98/627966298.db2.gz HMQFERYQQXLXLG-KPZWWZAWSA-N 1 1 319.399 3.381 20 10 DGCDMO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC000817938792 627967817 /nfs/dbraw/zinc/96/78/17/627967817.db2.gz SLMGXSZXBPVSCA-FZKQIMNGSA-N 1 1 301.409 3.242 20 10 DGCDMO Cc1ccc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)n1 ZINC000817941144 627968935 /nfs/dbraw/zinc/96/89/35/627968935.db2.gz JDWNRLQWZKQWGG-KUHUBIRLSA-N 1 1 312.461 3.115 20 10 DGCDMO C[C@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000817957251 627973861 /nfs/dbraw/zinc/97/38/61/627973861.db2.gz KEGYKEIEVKDNGW-PXNSSMCTSA-N 1 1 323.484 3.312 20 10 DGCDMO CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000817959990 627975564 /nfs/dbraw/zinc/97/55/64/627975564.db2.gz JSNPXTUMYFPWOR-SNVBAGLBSA-N 1 1 315.255 3.323 20 10 DGCDMO C[C@@H](N[C@H](C[NH3+])C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817959863 627975636 /nfs/dbraw/zinc/97/56/36/627975636.db2.gz JSBXDQTZNBWJAZ-DNVCBOLYSA-N 1 1 301.478 3.455 20 10 DGCDMO CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817967022 627977805 /nfs/dbraw/zinc/97/78/05/627977805.db2.gz COGZYYSEATVHRW-AWEZNQCLSA-N 1 1 314.351 3.371 20 10 DGCDMO CC[C@H]([NH2+][C@H](C)CCC[NH3+])c1cc(Br)ccc1[O-] ZINC000817977886 627981274 /nfs/dbraw/zinc/98/12/74/627981274.db2.gz RCNHNYAHBCUSQA-MFKMUULPSA-N 1 1 315.255 3.323 20 10 DGCDMO C[C@H](NCCC[NH2+]C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817983647 627983751 /nfs/dbraw/zinc/98/37/51/627983751.db2.gz HIAGZEWEUSQQFH-INIZCTEOSA-N 1 1 301.478 3.470 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCS[C@H](C)C2)c1 ZINC000927032412 628000409 /nfs/dbraw/zinc/00/04/09/628000409.db2.gz MZKIGKDHMQUKIG-MDZLAQPJSA-N 1 1 309.431 3.114 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cc(F)cc(F)c1O ZINC000927101684 628014931 /nfs/dbraw/zinc/01/49/31/628014931.db2.gz LSZVXFMLIMGVCM-SECBINFHSA-N 1 1 307.344 3.132 20 10 DGCDMO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)s1 ZINC000818355516 628017560 /nfs/dbraw/zinc/01/75/60/628017560.db2.gz HAPRGKHNKXLEII-RKDXNWHRSA-N 1 1 324.377 3.186 20 10 DGCDMO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)s1 ZINC000818357297 628018356 /nfs/dbraw/zinc/01/83/56/628018356.db2.gz YLMVHZQZPDLTQN-WDEREUQCSA-N 1 1 320.414 3.356 20 10 DGCDMO CC[C@@](C)(C(=O)OC)[N@H+](Cc1cc(F)ccc1O)CC1CC1 ZINC000822504537 628458657 /nfs/dbraw/zinc/45/86/57/628458657.db2.gz UKMNHETXJDAOKE-KRWDZBQOSA-N 1 1 309.381 3.085 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c1O ZINC000822516779 628459775 /nfs/dbraw/zinc/45/97/75/628459775.db2.gz PSRGGNGYAHAQLS-LJQANCHMSA-N 1 1 315.413 3.130 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000822530373 628462140 /nfs/dbraw/zinc/46/21/40/628462140.db2.gz ZAPVLGYGRUJVHP-SFHVURJKSA-N 1 1 301.430 3.482 20 10 DGCDMO CCn1nnc(C)c1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000823404319 628557432 /nfs/dbraw/zinc/55/74/32/628557432.db2.gz OWLXNTYHDHVWIH-UHFFFAOYSA-N 1 1 315.465 3.083 20 10 DGCDMO Cc1[nH+]cc(CN(Cc2ccco2)Cc2ccccc2O)n1C ZINC000824474863 628663936 /nfs/dbraw/zinc/66/39/36/628663936.db2.gz UZPMFDUVDDALFT-UHFFFAOYSA-N 1 1 311.385 3.230 20 10 DGCDMO CC[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000824653765 628680361 /nfs/dbraw/zinc/68/03/61/628680361.db2.gz HHYWCALRKJLXMM-NEPJUHHUSA-N 1 1 308.378 3.225 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O ZINC000824696312 628684879 /nfs/dbraw/zinc/68/48/79/628684879.db2.gz KXJURFRMTFENJT-GVDBMIGSSA-N 1 1 319.445 3.306 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c(O)c1 ZINC000824695987 628684930 /nfs/dbraw/zinc/68/49/30/628684930.db2.gz GAICKJIQYSVATA-RCCFBDPRSA-N 1 1 319.445 3.306 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1F ZINC000824715100 628686390 /nfs/dbraw/zinc/68/63/90/628686390.db2.gz HQNLEOBRZORQCM-QGPMSJSTSA-N 1 1 306.425 3.017 20 10 DGCDMO CO[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C[C@@H]1C ZINC000824814617 628696538 /nfs/dbraw/zinc/69/65/38/628696538.db2.gz BVYWRTIMJRFLGC-GXFFZTMASA-N 1 1 314.223 3.012 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C[C@@H]1C ZINC000824814617 628696540 /nfs/dbraw/zinc/69/65/40/628696540.db2.gz BVYWRTIMJRFLGC-GXFFZTMASA-N 1 1 314.223 3.012 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1Cl ZINC000824913669 628705825 /nfs/dbraw/zinc/70/58/25/628705825.db2.gz WJNMTBBIVIGFEZ-ZDUSSCGKSA-N 1 1 319.836 3.152 20 10 DGCDMO COc1cc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c(O)c(C(C)(C)C)c1 ZINC000824920211 628706859 /nfs/dbraw/zinc/70/68/59/628706859.db2.gz HYDMPWAVUUGECR-DYVFJYSZSA-N 1 1 321.461 3.291 20 10 DGCDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000825103829 628727926 /nfs/dbraw/zinc/72/79/26/628727926.db2.gz IROPUHJVNSUYFZ-RDTXWAMCSA-N 1 1 316.470 3.340 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c1O ZINC000825104255 628728358 /nfs/dbraw/zinc/72/83/58/628728358.db2.gz SCXGJLZVQBKGLU-CVEARBPZSA-N 1 1 305.418 3.180 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124153 628730382 /nfs/dbraw/zinc/73/03/82/628730382.db2.gz IVXCEYURVVDXKL-ZANVPECISA-N 1 1 323.742 3.099 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124151 628730534 /nfs/dbraw/zinc/73/05/34/628730534.db2.gz IVXCEYURVVDXKL-RNCFNFMXSA-N 1 1 323.742 3.099 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](CCO)C2CCSCC2)cc1 ZINC000825129732 628730964 /nfs/dbraw/zinc/73/09/64/628730964.db2.gz BXNXBRWUPZYCHB-UHFFFAOYSA-N 1 1 322.518 3.223 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+](CCO)C2CCSCC2)c1O ZINC000825133736 628731212 /nfs/dbraw/zinc/73/12/12/628731212.db2.gz MHVVAYSKSOCUDP-UHFFFAOYSA-N 1 1 315.866 3.044 20 10 DGCDMO Cc1cc(O)c(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cc1Cl ZINC000825556336 628773286 /nfs/dbraw/zinc/77/32/86/628773286.db2.gz QEFZWQVYICWSQZ-NSHDSACASA-N 1 1 312.841 3.089 20 10 DGCDMO 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3.122 20 10 DGCDMO COc1cccc([C@H](C)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1O ZINC000846140366 631211567 /nfs/dbraw/zinc/21/15/67/631211567.db2.gz PKGMKHAJJDLPHR-OAGGEKHMSA-N 1 1 320.477 3.419 20 10 DGCDMO COc1cccc([C@@H](C)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000846140367 631211699 /nfs/dbraw/zinc/21/16/99/631211699.db2.gz PKGMKHAJJDLPHR-OWCLPIDISA-N 1 1 320.477 3.419 20 10 DGCDMO COc1cccc([C@@H](C)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000846140367 631211700 /nfs/dbraw/zinc/21/17/00/631211700.db2.gz PKGMKHAJJDLPHR-OWCLPIDISA-N 1 1 320.477 3.419 20 10 DGCDMO COc1cccc([C@@H](C)[NH2+]Cc2csc([C@@H](C)OC)n2)c1O ZINC000846148824 631212249 /nfs/dbraw/zinc/21/22/49/631212249.db2.gz HWLXGEDIUQTXDC-GHMZBOCLSA-N 1 1 322.430 3.416 20 10 DGCDMO COc1cccc([C@@H](C)[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)c1O ZINC000846155732 631212575 /nfs/dbraw/zinc/21/25/75/631212575.db2.gz CIDGVCYMGYGHQO-GHMZBOCLSA-N 1 1 304.394 3.054 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)c1O ZINC000848882612 631769601 /nfs/dbraw/zinc/76/96/01/631769601.db2.gz VVSUVURMRQKRHZ-OAHLLOKOSA-N 1 1 301.390 3.026 20 10 DGCDMO CCc1cccc(C[N@@H+](C)[C@@H](CO)c2ccc(OC)cc2)c1O ZINC000848887339 631772611 /nfs/dbraw/zinc/77/26/11/631772611.db2.gz UAEQPOKHUHCJFY-SFHVURJKSA-N 1 1 315.413 3.129 20 10 DGCDMO CCc1cccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)c1O ZINC000848896681 631777370 /nfs/dbraw/zinc/77/73/70/631777370.db2.gz HEZRSBMOMGVVHQ-HNNXBMFYSA-N 1 1 307.340 3.056 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1O ZINC000848912082 631784132 /nfs/dbraw/zinc/78/41/32/631784132.db2.gz AHRKNOWBCNLWCZ-OAHLLOKOSA-N 1 1 305.809 3.252 20 10 DGCDMO Cc1cc(O)c(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1C ZINC000849350483 631900291 /nfs/dbraw/zinc/90/02/91/631900291.db2.gz YUTNTAJXTLXNJV-RTBURBONSA-N 1 1 310.441 3.244 20 10 DGCDMO COc1cc(C[NH2+][C@H](C)CCN(C)C)c(O)c(C(C)(C)C)c1 ZINC000850097173 632055372 /nfs/dbraw/zinc/05/53/72/632055372.db2.gz SWFHSZNXHDMSIH-CYBMUJFWSA-N 1 1 308.466 3.128 20 10 DGCDMO COc1cccc(OC)c1C[NH2+]Cc1c(O)cccc1Cl ZINC000850355360 632123918 /nfs/dbraw/zinc/12/39/18/632123918.db2.gz GUNXYZDFBAEFCB-UHFFFAOYSA-N 1 1 307.777 3.353 20 10 DGCDMO CCO[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(Br)c2O)C1 ZINC000850360712 632124396 /nfs/dbraw/zinc/12/43/96/632124396.db2.gz NPYNTYQVZWWSGP-HAQNSBGRSA-N 1 1 314.223 3.120 20 10 DGCDMO CCn1cc(C[NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)nn1 ZINC000850366321 632127068 /nfs/dbraw/zinc/12/70/68/632127068.db2.gz SIRORORPJUQQOU-UHFFFAOYSA-N 1 1 323.444 3.304 20 10 DGCDMO COc1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2F)cc1C ZINC000850410414 632144322 /nfs/dbraw/zinc/14/43/22/632144322.db2.gz MEIYXWBPUHIGOM-MRXNPFEDSA-N 1 1 307.340 3.105 20 10 DGCDMO COC[C@@H](CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)OC ZINC000850485686 632167695 /nfs/dbraw/zinc/16/76/95/632167695.db2.gz MNCKLVRUPSKNPN-WDEREUQCSA-N 1 1 321.339 3.113 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(F)cc1O ZINC000850553886 632191260 /nfs/dbraw/zinc/19/12/60/632191260.db2.gz ALMHKVAQDNCQKW-WFASDCNBSA-N 1 1 322.424 3.219 20 10 DGCDMO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000850573481 632199481 /nfs/dbraw/zinc/19/94/81/632199481.db2.gz MQUJONXAZGUTOW-VBHSOAQHSA-N 1 1 303.377 3.347 20 10 DGCDMO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109773390 632316112 /nfs/dbraw/zinc/31/61/12/632316112.db2.gz LWFCAWBJXMJKJL-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109773390 632316116 /nfs/dbraw/zinc/31/61/16/632316116.db2.gz LWFCAWBJXMJKJL-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccccc1O ZINC000109772608 632316328 /nfs/dbraw/zinc/31/63/28/632316328.db2.gz XDGIJACVWIJAEV-UHFFFAOYSA-N 1 1 322.767 3.255 20 10 DGCDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccccc1O ZINC000109772608 632316331 /nfs/dbraw/zinc/31/63/31/632316331.db2.gz XDGIJACVWIJAEV-UHFFFAOYSA-N 1 1 322.767 3.255 20 10 DGCDMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)cc1F ZINC000109770796 632316490 /nfs/dbraw/zinc/31/64/90/632316490.db2.gz BFRPLHGZCQTAIK-CYBMUJFWSA-N 1 1 316.376 3.299 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](OC)[C@@H]2CCOC2)cc1 ZINC000851717017 632474440 /nfs/dbraw/zinc/47/44/40/632474440.db2.gz UKHJWWQRUFHZGV-MJGOQNOKSA-N 1 1 320.477 3.016 20 10 DGCDMO Cc1cccc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)c1O ZINC000184798744 660187735 /nfs/dbraw/zinc/18/77/35/660187735.db2.gz QYDOUKFYJZXLKM-UHFFFAOYSA-N 1 1 316.367 3.159 20 10 DGCDMO C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(F)cc1O ZINC000184923687 660195447 /nfs/dbraw/zinc/19/54/47/660195447.db2.gz OEWNYHABWHDXMT-AWEZNQCLSA-N 1 1 314.404 3.240 20 10 DGCDMO C[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(F)cc1O ZINC000184923704 660195497 /nfs/dbraw/zinc/19/54/97/660195497.db2.gz OEWNYHABWHDXMT-CQSZACIVSA-N 1 1 314.404 3.240 20 10 DGCDMO C[N@@H+](CCc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000072981078 660234269 /nfs/dbraw/zinc/23/42/69/660234269.db2.gz ZDDDCFIFUICTCJ-UHFFFAOYSA-N 1 1 310.441 3.198 20 10 DGCDMO COC[C@@H]1CCCC[N@H+]1Cc1c(O)cccc1Br ZINC000707130135 660889648 /nfs/dbraw/zinc/88/96/48/660889648.db2.gz YUIOAMLORCMJFY-NSHDSACASA-N 1 1 314.223 3.156 20 10 DGCDMO COC(=O)C(C)(C)CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000792780398 660984566 /nfs/dbraw/zinc/98/45/66/660984566.db2.gz OQXSKOPLPWHDOZ-UHFFFAOYSA-N 1 1 318.461 3.306 20 10 DGCDMO CN(C)c1ccc(CNCC(C)(C)[NH+](C)C)c(C(F)(F)F)c1 ZINC000792887602 660991711 /nfs/dbraw/zinc/99/17/11/660991711.db2.gz AYYIUIQTIOGORD-UHFFFAOYSA-N 1 1 317.399 3.201 20 10 DGCDMO C[C@H](CCN(C)C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792948085 660996676 /nfs/dbraw/zinc/99/66/76/660996676.db2.gz WFDASIXHGVFPGE-GFCCVEGCSA-N 1 1 317.399 3.201 20 10 DGCDMO Cn1c[nH+]c2cc(NCc3ccc4c(c3)sc(=O)n4C)ccc21 ZINC000793052439 661002404 /nfs/dbraw/zinc/00/24/04/661002404.db2.gz UUHFRCNKLTXRIE-UHFFFAOYSA-N 1 1 324.409 3.099 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)CC2(O)CCC2)c(C(F)(F)F)c1 ZINC000793075767 661003645 /nfs/dbraw/zinc/00/36/45/661003645.db2.gz YTCLWJBWQHDETI-UHFFFAOYSA-N 1 1 316.367 3.118 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2CCO)c(C(F)(F)F)c1 ZINC000793093605 661004713 /nfs/dbraw/zinc/00/47/13/661004713.db2.gz PUERVQUZYZELOU-CYBMUJFWSA-N 1 1 316.367 3.118 20 10 DGCDMO CSc1ccccc1C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000793232809 661015629 /nfs/dbraw/zinc/01/56/29/661015629.db2.gz NVSCGMVWAFYYQS-UHFFFAOYSA-N 1 1 317.410 3.475 20 10 DGCDMO Cc1cc(O)c(C[N@H+](CCO)Cc2cccnc2Cl)cc1C ZINC000793366646 661027521 /nfs/dbraw/zinc/02/75/21/661027521.db2.gz QLZGJEAREJDLFL-UHFFFAOYSA-N 1 1 320.820 3.052 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](CCO)Cc2cccnc2Cl)cc1C ZINC000793366646 661027523 /nfs/dbraw/zinc/02/75/23/661027523.db2.gz QLZGJEAREJDLFL-UHFFFAOYSA-N 1 1 320.820 3.052 20 10 DGCDMO CCN1CCN(c2ccc(C[NH2+][C@@H]3CCC3(C)C)cc2F)CC1 ZINC000793524660 661041557 /nfs/dbraw/zinc/04/15/57/661041557.db2.gz IUZMGPFUHQAISW-GOSISDBHSA-N 1 1 319.468 3.246 20 10 DGCDMO Cc1cccc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)c1C ZINC000793570343 661046561 /nfs/dbraw/zinc/04/65/61/661046561.db2.gz MJFJKTZQXDSHRS-GOSISDBHSA-N 1 1 313.397 3.067 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@H](C2CC2)O1 ZINC000794661318 661096424 /nfs/dbraw/zinc/09/64/24/661096424.db2.gz ZCRXWSVQQYBNAG-BFUOFWGJSA-N 1 1 301.430 3.270 20 10 DGCDMO COc1cc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)c(O)c(C(C)(C)C)c1 ZINC000795673628 661166845 /nfs/dbraw/zinc/16/68/45/661166845.db2.gz HHLVAOXSOAYPAP-OTVXOJSOSA-N 1 1 307.434 3.308 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2cc(Cl)cn2C)c(O)cc1C ZINC000160392844 655628665 /nfs/dbraw/zinc/62/86/65/655628665.db2.gz NCDXZGATFUMUTK-UHFFFAOYSA-N 1 1 308.809 3.333 20 10 DGCDMO CCOc1cccc(C[N@@H+](CCOC)Cc2ccccc2)c1O ZINC000160445270 655633408 /nfs/dbraw/zinc/63/34/08/655633408.db2.gz DCTPOHHIDZFVDC-UHFFFAOYSA-N 1 1 315.413 3.440 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](CCOC)Cc2ccccc2)c1 ZINC000160451312 655635655 /nfs/dbraw/zinc/63/56/55/655635655.db2.gz NKWKQECUCIRUAY-UHFFFAOYSA-N 1 1 315.413 3.440 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1CC(F)F)CCCC2 ZINC000795731632 661170300 /nfs/dbraw/zinc/17/03/00/661170300.db2.gz SVESOPIVGHRVNE-HNNXBMFYSA-N 1 1 311.372 3.127 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCOC[C@@H]1CC(F)F)CCCC2 ZINC000795731632 661170303 /nfs/dbraw/zinc/17/03/03/661170303.db2.gz SVESOPIVGHRVNE-HNNXBMFYSA-N 1 1 311.372 3.127 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)cc1 ZINC000933080500 655674352 /nfs/dbraw/zinc/67/43/52/655674352.db2.gz FUNNKVKNDVVERC-GOSISDBHSA-N 1 1 302.462 3.391 20 10 DGCDMO COC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000093337821 655740031 /nfs/dbraw/zinc/74/00/31/655740031.db2.gz VIHSOTJCGBHHMO-LLVKDONJSA-N 1 1 314.223 3.013 20 10 DGCDMO COC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000093337821 655740033 /nfs/dbraw/zinc/74/00/33/655740033.db2.gz VIHSOTJCGBHHMO-LLVKDONJSA-N 1 1 314.223 3.013 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934334416 655768567 /nfs/dbraw/zinc/76/85/67/655768567.db2.gz UWAOEACHLAVYEV-HNNXBMFYSA-N 1 1 301.459 3.274 20 10 DGCDMO COc1ccccc1OCC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000051588491 655772201 /nfs/dbraw/zinc/77/22/01/655772201.db2.gz YLRNIQHLSHHOAV-UHFFFAOYSA-N 1 1 314.429 3.272 20 10 DGCDMO C[C@H](C1CC1)[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000092009594 655772214 /nfs/dbraw/zinc/77/22/14/655772214.db2.gz NAUYQBIPJMYYCS-OAHLLOKOSA-N 1 1 300.446 3.286 20 10 DGCDMO COc1ccc(OCC[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000184903620 656122056 /nfs/dbraw/zinc/12/20/56/656122056.db2.gz RGSIVJOGINHYFX-GFCCVEGCSA-N 1 1 305.349 3.270 20 10 DGCDMO COC(=O)C[N@H+](Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000093286935 656301491 /nfs/dbraw/zinc/30/14/91/656301491.db2.gz IGANVUXYEMJWDC-UHFFFAOYSA-N 1 1 304.434 3.060 20 10 DGCDMO COC(=O)C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000093286935 656301492 /nfs/dbraw/zinc/30/14/92/656301492.db2.gz IGANVUXYEMJWDC-UHFFFAOYSA-N 1 1 304.434 3.060 20 10 DGCDMO C[C@@H]1COCC[N@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000054462367 658335682 /nfs/dbraw/zinc/33/56/82/658335682.db2.gz BCCFUNYCZCLSLV-GFCCVEGCSA-N 1 1 301.386 3.238 20 10 DGCDMO 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ZINC001652739559 1195645230 /nfs/dbraw/zinc/64/52/30/1195645230.db2.gz HVWBAJFMGFQOSK-VQIMIIECSA-N 1 1 317.429 3.120 20 10 DGCDMO Cc1ccccc1-n1cc(C[N@@H+]2Cc3cccc(O)c3C2)cn1 ZINC001653000060 1195679334 /nfs/dbraw/zinc/67/93/34/1195679334.db2.gz IBPRBNGVCNCOEZ-UHFFFAOYSA-N 1 1 305.381 3.402 20 10 DGCDMO Cc1ccccc1-n1cc(C[N@H+]2Cc3cccc(O)c3C2)cn1 ZINC001653000060 1195679336 /nfs/dbraw/zinc/67/93/36/1195679336.db2.gz IBPRBNGVCNCOEZ-UHFFFAOYSA-N 1 1 305.381 3.402 20 10 DGCDMO OCC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1CCCC1 ZINC001653162332 1195693759 /nfs/dbraw/zinc/69/37/59/1195693759.db2.gz SEJDRIWDGVEIFM-AWEZNQCLSA-N 1 1 301.789 3.216 20 10 DGCDMO C[C@H](C[NH2+]Cc1cc(F)c(F)cc1O)c1ccccc1[N+](=O)[O-] ZINC001653171905 1195695235 /nfs/dbraw/zinc/69/52/35/1195695235.db2.gz QZJCMNIIRPLTJT-SNVBAGLBSA-N 1 1 322.311 3.472 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCSC[C@@H]2C2CCC2)c1O ZINC001653952732 1195762407 /nfs/dbraw/zinc/76/24/07/1195762407.db2.gz GHRSRFLJSWFLRA-MRXNPFEDSA-N 1 1 323.433 3.451 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc1 ZINC001654650724 1195827906 /nfs/dbraw/zinc/82/79/06/1195827906.db2.gz WGNHZTKAUFCPQN-LJQANCHMSA-N 1 1 318.461 3.306 20 10 DGCDMO CC1CC[NH+](CCNC/C=C\c2ccc(N(C)C)cc2)CC1 ZINC001656044820 1195991551 /nfs/dbraw/zinc/99/15/51/1195991551.db2.gz NLKBFXHLIRCLPE-PLNGDYQASA-N 1 1 301.478 3.087 20 10 DGCDMO CN(C)c1ccc(/C=C\CNCC(C)(C)C[NH+]2CCCC2)cc1 ZINC001656181527 1196014775 /nfs/dbraw/zinc/01/47/75/1196014775.db2.gz FOJJTALKBWNRNJ-FPLPWBNLSA-N 1 1 315.505 3.477 20 10 DGCDMO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C(C)C ZINC001656291407 1196027205 /nfs/dbraw/zinc/02/72/05/1196027205.db2.gz DLXDRLDMQZDIRH-HIFRSBDPSA-N 1 1 301.377 3.049 20 10 DGCDMO CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001657000137 1196091599 /nfs/dbraw/zinc/09/15/99/1196091599.db2.gz MJOJXZDLKMJHHB-NSHDSACASA-N 1 1 300.805 3.006 20 10 DGCDMO C[NH+](C)[C@@H]1CCC[C@@H](NCc2ccc(N3CCCC3)cc2)C1 ZINC001657322247 1196130410 /nfs/dbraw/zinc/13/04/10/1196130410.db2.gz DXOMONJJQNCUJA-IEBWSBKVSA-N 1 1 301.478 3.249 20 10 DGCDMO CN1CC[N@H+](Cc2cc(F)cc(F)c2O)Cc2ccccc21 ZINC001657460580 1196144633 /nfs/dbraw/zinc/14/46/33/1196144633.db2.gz ORDYFRIYIXRLQB-UHFFFAOYSA-N 1 1 304.340 3.122 20 10 DGCDMO CN1CC[N@@H+](Cc2cc(F)cc(F)c2O)Cc2ccccc21 ZINC001657460580 1196144637 /nfs/dbraw/zinc/14/46/37/1196144637.db2.gz ORDYFRIYIXRLQB-UHFFFAOYSA-N 1 1 304.340 3.122 20 10 DGCDMO CCC[N@@H+](CC)C[C@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC001657474556 1196145795 /nfs/dbraw/zinc/14/57/95/1196145795.db2.gz XXHPPWKHMMMTQB-ZDUSSCGKSA-N 1 1 313.436 3.241 20 10 DGCDMO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001657481161 1196148074 /nfs/dbraw/zinc/14/80/74/1196148074.db2.gz WOVAWPOKYQRPHL-XLIONFOSSA-N 1 1 315.505 3.497 20 10 DGCDMO Oc1c(F)cccc1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC001657697397 1196170026 /nfs/dbraw/zinc/17/00/26/1196170026.db2.gz YZEMKGOHCXQWLP-UHFFFAOYSA-N 1 1 307.752 3.409 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCCCC[C@H]2CCO)cc1 ZINC001658092353 1196211349 /nfs/dbraw/zinc/21/13/49/1196211349.db2.gz CSQLEXMCDMYHGX-GHOSXJJBSA-N 1 1 302.462 3.393 20 10 DGCDMO Brc1cccnc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001658163671 1196220494 /nfs/dbraw/zinc/22/04/94/1196220494.db2.gz RTSDXHFFFJRBCA-UHFFFAOYSA-N 1 1 319.202 3.069 20 10 DGCDMO CCc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)c1O ZINC001658174983 1196221330 /nfs/dbraw/zinc/22/13/30/1196221330.db2.gz XEXISMQAMHGEDG-CYBMUJFWSA-N 1 1 317.351 3.496 20 10 DGCDMO CCc1cccc(C[N@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)c1O ZINC001658174983 1196221332 /nfs/dbraw/zinc/22/13/32/1196221332.db2.gz XEXISMQAMHGEDG-CYBMUJFWSA-N 1 1 317.351 3.496 20 10 DGCDMO Cc1ccc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c(O)c1 ZINC001658475618 1196261514 /nfs/dbraw/zinc/26/15/14/1196261514.db2.gz XIDXUDDYEDKCBE-UHFFFAOYSA-N 1 1 320.339 3.049 20 10 DGCDMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c(O)c1 ZINC001658475618 1196261523 /nfs/dbraw/zinc/26/15/23/1196261523.db2.gz 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ZINC001658833393 1196306538 /nfs/dbraw/zinc/30/65/38/1196306538.db2.gz QYOFHZULHCUOQY-CVEARBPZSA-N 1 1 324.852 3.267 20 10 DGCDMO COC(=O)c1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2O)cc1 ZINC001658956124 1196324980 /nfs/dbraw/zinc/32/49/80/1196324980.db2.gz RBRJJDOTXVMPKC-UHFFFAOYSA-N 1 1 321.323 3.089 20 10 DGCDMO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(F)cc(F)c2O)cc1 ZINC001658956124 1196324984 /nfs/dbraw/zinc/32/49/84/1196324984.db2.gz RBRJJDOTXVMPKC-UHFFFAOYSA-N 1 1 321.323 3.089 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC001659050616 1196338006 /nfs/dbraw/zinc/33/80/06/1196338006.db2.gz UZPYLUGAVGKNPV-OAHLLOKOSA-N 1 1 313.445 3.314 20 10 DGCDMO CCC[N@@H+](CCN1CCCCC1)Cc1c(C)cc(OC)cc1O ZINC001659182612 1196356571 /nfs/dbraw/zinc/35/65/71/1196356571.db2.gz BDIAQFPKGMIMHX-UHFFFAOYSA-N 1 1 320.477 3.407 20 10 DGCDMO CCCN(CC[NH+]1CCCCC1)Cc1c(C)cc(OC)cc1O ZINC001659182612 1196356574 /nfs/dbraw/zinc/35/65/74/1196356574.db2.gz BDIAQFPKGMIMHX-UHFFFAOYSA-N 1 1 320.477 3.407 20 10 DGCDMO CC(C)[C@H]1[N@H+](Cc2cc(F)c(F)cc2O)CC12CCOCC2 ZINC001659461409 1196386003 /nfs/dbraw/zinc/38/60/03/1196386003.db2.gz RPPMFQONIFOGKC-MRXNPFEDSA-N 1 1 311.372 3.307 20 10 DGCDMO CC(C)[C@H]1[N@@H+](Cc2cc(F)c(F)cc2O)CC12CCOCC2 ZINC001659461409 1196386006 /nfs/dbraw/zinc/38/60/06/1196386006.db2.gz RPPMFQONIFOGKC-MRXNPFEDSA-N 1 1 311.372 3.307 20 10 DGCDMO CN(CC[NH+]1CCCCC1)Cc1c(O)ccc(Cl)c1F ZINC001659559856 1196394972 /nfs/dbraw/zinc/39/49/72/1196394972.db2.gz AAUUHIDTXYNFMI-UHFFFAOYSA-N 1 1 300.805 3.102 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)Cc2cnc(C(C)C)nc2)c(O)c1 ZINC001659564350 1196396342 /nfs/dbraw/zinc/39/63/42/1196396342.db2.gz NANHGQADXJYQSC-UHFFFAOYSA-N 1 1 315.417 3.255 20 10 DGCDMO CC[NH+](CC)CCC[N@@H+](CC)Cc1cc(F)cc(F)c1[O-] ZINC001659699946 1196407218 /nfs/dbraw/zinc/40/72/18/1196407218.db2.gz SXFGRVBGSLFLEW-UHFFFAOYSA-N 1 1 300.393 3.224 20 10 DGCDMO COc1cc(C)c(C[N@H+](Cc2cnn(C)c2)CC(C)C)c(O)c1 ZINC001659965974 1196433137 /nfs/dbraw/zinc/43/31/37/1196433137.db2.gz QBVWPEOSGHIERE-UHFFFAOYSA-N 1 1 317.433 3.101 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c(O)c1 ZINC001660109594 1196447452 /nfs/dbraw/zinc/44/74/52/1196447452.db2.gz JDGOMIPPQAKESW-YOEHRIQHSA-N 1 1 305.418 3.100 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC001660370242 1196476108 /nfs/dbraw/zinc/47/61/08/1196476108.db2.gz PXHDTFHGWCAQGY-CALCHBBNSA-N 1 1 307.821 3.438 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+]C2([C@H]3CCCO3)CCC2)c1O ZINC001660641182 1196507665 /nfs/dbraw/zinc/50/76/65/1196507665.db2.gz GKXZJPFSBFXBKQ-OAHLLOKOSA-N 1 1 323.820 3.440 20 10 DGCDMO COc1cc(O)c(C[N@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)cc1OC ZINC001660796025 1196525804 /nfs/dbraw/zinc/52/58/04/1196525804.db2.gz HFFFFMJXGOGOMJ-OUFKLWKOSA-N 1 1 315.413 3.053 20 10 DGCDMO C[C@@H]1CCc2nc(C[NH2+]Cc3ccc4c(c3)CCO4)sc2C1 ZINC001661224312 1196585397 /nfs/dbraw/zinc/58/53/97/1196585397.db2.gz MEPMTKDZODQWSO-GFCCVEGCSA-N 1 1 314.454 3.493 20 10 DGCDMO CC[C@H]1CCCC[N@H+]1CCNCc1ccc(N(C)C)c(F)c1 ZINC001661391964 1196600977 /nfs/dbraw/zinc/60/09/77/1196600977.db2.gz XGSWVLOQOGEYQT-INIZCTEOSA-N 1 1 307.457 3.246 20 10 DGCDMO CC[C@H]1CCCCN1CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001661391964 1196600980 /nfs/dbraw/zinc/60/09/80/1196600980.db2.gz XGSWVLOQOGEYQT-INIZCTEOSA-N 1 1 307.457 3.246 20 10 DGCDMO Cc1cccc2c1OC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C2 ZINC001662571493 1196731228 /nfs/dbraw/zinc/73/12/28/1196731228.db2.gz IAPLQAWZDMWLAD-AWEZNQCLSA-N 1 1 305.324 3.072 20 10 DGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c(C)cc(OC)cc2O)C12CCC2 ZINC001663821126 1196948752 /nfs/dbraw/zinc/94/87/52/1196948752.db2.gz CVSBZEUZMLHIKM-ZWKOTPCHSA-N 1 1 319.445 3.489 20 10 DGCDMO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001663949873 1196960724 /nfs/dbraw/zinc/96/07/24/1196960724.db2.gz OSKIEGIXSIYGLM-NSHDSACASA-N 1 1 307.340 3.439 20 10 DGCDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001663949873 1196960726 /nfs/dbraw/zinc/96/07/26/1196960726.db2.gz OSKIEGIXSIYGLM-NSHDSACASA-N 1 1 307.340 3.439 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+](C)CC2(N(C)C)CCC2)cc1 ZINC001664375430 1196993155 /nfs/dbraw/zinc/99/31/55/1196993155.db2.gz XFAXURDRUMOCDD-SOFGYWHQSA-N 1 1 301.478 3.182 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)CC2(N(C)C)CCC2)cc1 ZINC001664375430 1196993158 /nfs/dbraw/zinc/99/31/58/1196993158.db2.gz XFAXURDRUMOCDD-SOFGYWHQSA-N 1 1 301.478 3.182 20 10 DGCDMO C[N@@H+](Cc1cc(F)c(F)cc1O)C[C@H]1OCCc2ccccc21 ZINC001664776363 1197056303 /nfs/dbraw/zinc/05/63/03/1197056303.db2.gz VUOREOLTJYVVNV-GOSISDBHSA-N 1 1 319.351 3.416 20 10 DGCDMO C[N@H+](Cc1cc(F)c(F)cc1O)C[C@H]1OCCc2ccccc21 ZINC001664776363 1197056306 /nfs/dbraw/zinc/05/63/06/1197056306.db2.gz VUOREOLTJYVVNV-GOSISDBHSA-N 1 1 319.351 3.416 20 10 DGCDMO C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001593267696 994591222 /nfs/dbraw/zinc/59/12/22/994591222.db2.gz RAPALNWJVLTPSJ-KGLIPLIRSA-N 1 1 320.433 3.006 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCC[C@@]1(O)C(F)(F)F 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1100141425 /nfs/dbraw/zinc/14/14/25/1100141425.db2.gz ONZNJSBCLCBILA-UHFFFAOYSA-N 1 1 313.397 3.266 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccn2nccc2c1 ZINC001237545672 1100167317 /nfs/dbraw/zinc/16/73/17/1100167317.db2.gz XNWPMSKVMQYULO-UHFFFAOYSA-N 1 1 308.429 3.422 20 10 DGCDMO CCCC[NH+]1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237619974 1100189803 /nfs/dbraw/zinc/18/98/03/1100189803.db2.gz HBASTAZGYXWFRS-UHFFFAOYSA-N 1 1 300.805 3.102 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001237622472 1100191664 /nfs/dbraw/zinc/19/16/64/1100191664.db2.gz SEBPQUQWHBUMJS-LBPRGKRZSA-N 1 1 313.800 3.433 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](F)C[C@H]2C)cc1Br ZINC001237676090 1100210026 /nfs/dbraw/zinc/21/00/26/1100210026.db2.gz DZZAKYUCROIUHS-KOLCDFICSA-N 1 1 302.187 3.395 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](F)C[C@H]2C)cc1Br ZINC001237676090 1100210029 /nfs/dbraw/zinc/21/00/29/1100210029.db2.gz DZZAKYUCROIUHS-KOLCDFICSA-N 1 1 302.187 3.395 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCCO[C@@H](C)C2)cc1Br ZINC001237678082 1100211704 /nfs/dbraw/zinc/21/17/04/1100211704.db2.gz RWBPOWLMBKLWKS-NSHDSACASA-N 1 1 314.223 3.074 20 10 DGCDMO CC[N@@H+](Cc1cc(Br)c(C)cc1O)CC(C)(C)O ZINC001237682920 1100214086 /nfs/dbraw/zinc/21/40/86/1100214086.db2.gz UVQSSPRMSRBNDL-UHFFFAOYSA-N 1 1 316.239 3.056 20 10 DGCDMO CC[N@H+](Cc1cc(F)cc(Cl)c1[O-])C1CC[NH+](C)CC1 ZINC001237815367 1100255417 /nfs/dbraw/zinc/25/54/17/1100255417.db2.gz XIJYBPJUAXGLMI-UHFFFAOYSA-N 1 1 300.805 3.101 20 10 DGCDMO CC[N@@H+](Cc1cc(F)cc(Cl)c1[O-])C1CC[NH+](C)CC1 ZINC001237815367 1100255425 /nfs/dbraw/zinc/25/54/25/1100255425.db2.gz XIJYBPJUAXGLMI-UHFFFAOYSA-N 1 1 300.805 3.101 20 10 DGCDMO CCOCC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237949330 1100301963 /nfs/dbraw/zinc/30/19/63/1100301963.db2.gz JXWGWTMPZVFTIZ-UHFFFAOYSA-N 1 1 301.789 3.433 20 10 DGCDMO Cc1cc(F)cc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1O ZINC001238062930 1100345450 /nfs/dbraw/zinc/34/54/50/1100345450.db2.gz 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DGCDMO Cc1cc(O)c(CN2CCC[C@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC001276372210 1103689111 /nfs/dbraw/zinc/68/91/11/1103689111.db2.gz JOQUUYDTIPHBTD-QGZVFWFLSA-N 1 1 308.853 3.272 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1O ZINC001327704492 1103709921 /nfs/dbraw/zinc/70/99/21/1103709921.db2.gz ZZILYNYAMVNRFZ-NVXWUHKLSA-N 1 1 319.445 3.490 20 10 DGCDMO C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001206563648 1103791888 /nfs/dbraw/zinc/79/18/88/1103791888.db2.gz GDBXJJXTLJXIMO-HNNXBMFYSA-N 1 1 316.367 3.362 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1ccccc1-n1cccn1)CC2 ZINC001137101012 1103979749 /nfs/dbraw/zinc/97/97/49/1103979749.db2.gz XDJZHICXAPTUBE-UHFFFAOYSA-N 1 1 305.381 3.136 20 10 DGCDMO COc1ccc(N(C)CC[N@H+](C)Cc2nc(C)sc2C)cc1 ZINC001328621724 1104000720 /nfs/dbraw/zinc/00/07/20/1104000720.db2.gz ZVLNNQRVPYSWRG-UHFFFAOYSA-N 1 1 319.474 3.337 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2nc(C)sc2C)cc1 ZINC001328621724 1104000732 /nfs/dbraw/zinc/00/07/32/1104000732.db2.gz 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1105174906 /nfs/dbraw/zinc/17/49/06/1105174906.db2.gz IOBIOJVJAJBIQI-UHFFFAOYSA-N 1 1 315.442 3.241 20 10 DGCDMO CC(C)Sc1nccc(C[N@H+]2CCc3cccc(O)c3C2)n1 ZINC001248832891 1105174909 /nfs/dbraw/zinc/17/49/09/1105174909.db2.gz IOBIOJVJAJBIQI-UHFFFAOYSA-N 1 1 315.442 3.241 20 10 DGCDMO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@](F)(CO)C2)cc1Cl ZINC001248881221 1105185598 /nfs/dbraw/zinc/18/55/98/1105185598.db2.gz UCKRIMCYAKMMSB-INIZCTEOSA-N 1 1 315.816 3.249 20 10 DGCDMO CC(C)(C)c1cc(O)c(C[N@H+]2CC[C@@](F)(CO)C2)cc1Cl ZINC001248881221 1105185602 /nfs/dbraw/zinc/18/56/02/1105185602.db2.gz UCKRIMCYAKMMSB-INIZCTEOSA-N 1 1 315.816 3.249 20 10 DGCDMO CC1(C)C=Cc2c(O)c(C[N@H+]3CC[C@@H]4COC[C@@H]4C3)ccc2O1 ZINC001249230276 1105251101 /nfs/dbraw/zinc/25/11/01/1105251101.db2.gz ALOIJDLBSJRHJV-CABCVRRESA-N 1 1 315.413 3.045 20 10 DGCDMO CC(C)[C@H]1C[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCO1 ZINC001249252536 1105257927 /nfs/dbraw/zinc/25/79/27/1105257927.db2.gz MTCYWTVNSOLSKL-QGZVFWFLSA-N 1 1 317.429 3.433 20 10 DGCDMO CCO[C@@H]1CC[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249259042 1105258556 /nfs/dbraw/zinc/25/85/56/1105258556.db2.gz PQJXIKWJVZSLQD-CQSZACIVSA-N 1 1 303.402 3.187 20 10 DGCDMO CC[N@H+]1CCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)[C@H](C)C1 ZINC001249263468 1105259783 /nfs/dbraw/zinc/25/97/83/1105259783.db2.gz KLOMPGJELIQWAI-CQSZACIVSA-N 1 1 316.445 3.102 20 10 DGCDMO CCN1CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)[C@H](C)C1 ZINC001249263468 1105259786 /nfs/dbraw/zinc/25/97/86/1105259786.db2.gz KLOMPGJELIQWAI-CQSZACIVSA-N 1 1 316.445 3.102 20 10 DGCDMO CCN1CC[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)[C@H](C)C1 ZINC001249263468 1105259792 /nfs/dbraw/zinc/25/97/92/1105259792.db2.gz KLOMPGJELIQWAI-CQSZACIVSA-N 1 1 316.445 3.102 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(F)cc1C(=O)OC ZINC001249621235 1105335058 /nfs/dbraw/zinc/33/50/58/1105335058.db2.gz JTHMWWPHIUWNQZ-UHFFFAOYSA-N 1 1 317.360 3.340 20 10 DGCDMO Cc1cc(Nc2ccccc2C(=O)c2ccncc2)c[nH+]c1N ZINC001249794071 1105383441 /nfs/dbraw/zinc/38/34/41/1105383441.db2.gz IPDAHVVHYMDLMA-UHFFFAOYSA-N 1 1 304.353 3.342 20 10 DGCDMO CSCC[N@@H+](C)Cc1cc(C)c(Br)cc1O ZINC001250134033 1105451169 /nfs/dbraw/zinc/45/11/69/1105451169.db2.gz VZHAXVWXFYEHOR-UHFFFAOYSA-N 1 1 304.253 3.258 20 10 DGCDMO CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](CC)Cc2ccccc2O)C1 ZINC001255368047 1106233285 /nfs/dbraw/zinc/23/32/85/1106233285.db2.gz COBDBTGIMHJFLC-GDBMZVCRSA-N 1 1 305.418 3.336 20 10 DGCDMO CCCCC[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001257501665 1106598633 /nfs/dbraw/zinc/59/86/33/1106598633.db2.gz KDHVAEBEEOFSHO-KRWDZBQOSA-N 1 1 303.494 3.497 20 10 DGCDMO CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(CC)C[C@H]2C)cc1 ZINC001320876920 1107171339 /nfs/dbraw/zinc/17/13/39/1107171339.db2.gz UAFNTGMATNLLCN-VQIMIIECSA-N 1 1 303.494 3.305 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@H]2C)cc1 ZINC001320876920 1107171350 /nfs/dbraw/zinc/17/13/50/1107171350.db2.gz UAFNTGMATNLLCN-VQIMIIECSA-N 1 1 303.494 3.305 20 10 DGCDMO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001323322673 1107935824 /nfs/dbraw/zinc/93/58/24/1107935824.db2.gz MMNMTTXORSQUFL-LJQANCHMSA-N 1 1 315.505 3.451 20 10 DGCDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001323322673 1107935835 /nfs/dbraw/zinc/93/58/35/1107935835.db2.gz MMNMTTXORSQUFL-LJQANCHMSA-N 1 1 315.505 3.451 20 10 DGCDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(N2CCCC2)cc1 ZINC001323929169 1108122995 /nfs/dbraw/zinc/12/29/95/1108122995.db2.gz KAYSOAFEYWCYMK-QGZVFWFLSA-N 1 1 303.494 3.497 20 10 DGCDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001323929169 1108123000 /nfs/dbraw/zinc/12/30/00/1108123000.db2.gz KAYSOAFEYWCYMK-QGZVFWFLSA-N 1 1 303.494 3.497 20 10 DGCDMO CC(C)[C@]1(CO)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001324333079 1108253583 /nfs/dbraw/zinc/25/35/83/1108253583.db2.gz FCANZIFPNQGAOV-OAHLLOKOSA-N 1 1 301.789 3.025 20 10 DGCDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001324333079 1108253591 /nfs/dbraw/zinc/25/35/91/1108253591.db2.gz 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COC1CCC([N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000079436767 400866533 /nfs/dbraw/zinc/86/65/33/400866533.db2.gz CQQRWPOXOCRWOD-UHFFFAOYSA-N 1 1 309.381 3.123 20 10 DGCDMO COC1CCC([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000079436767 400866536 /nfs/dbraw/zinc/86/65/36/400866536.db2.gz CQQRWPOXOCRWOD-UHFFFAOYSA-N 1 1 309.381 3.123 20 10 DGCDMO Cc1ccncc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000269673336 432195970 /nfs/dbraw/zinc/19/59/70/432195970.db2.gz YAVCCZBSLAWQPX-GOSISDBHSA-N 1 1 312.413 3.277 20 10 DGCDMO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC000126554203 226999619 /nfs/dbraw/zinc/99/96/19/226999619.db2.gz VAPJUXXMWYWNTN-DFNIBXOVSA-N 1 1 300.446 3.165 20 10 DGCDMO C[N@H+](Cc1nc(-c2ccsc2)no1)Cc1ccccc1O ZINC000109771673 431178972 /nfs/dbraw/zinc/17/89/72/431178972.db2.gz PPFZCBWTGQUNDF-UHFFFAOYSA-N 1 1 301.371 3.136 20 10 DGCDMO C[N@@H+](Cc1nc(-c2ccsc2)no1)Cc1ccccc1O ZINC000109771673 431178982 /nfs/dbraw/zinc/17/89/82/431178982.db2.gz PPFZCBWTGQUNDF-UHFFFAOYSA-N 1 1 301.371 3.136 20 10 DGCDMO C[NH+](C)Cc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000113318049 431342323 /nfs/dbraw/zinc/34/23/23/431342323.db2.gz LXAPPDHYWJGIOJ-UHFFFAOYSA-N 1 1 304.821 3.397 20 10 DGCDMO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+](C)Cc1ccccc1O ZINC000121143242 431747002 /nfs/dbraw/zinc/74/70/02/431747002.db2.gz CNAHBKXCZZYZET-RBSFLKMASA-N 1 1 304.434 3.002 20 10 DGCDMO COc1cccc(C[N@@H+](C)CCOc2ccc(F)cc2)c1O ZINC000121476489 431791970 /nfs/dbraw/zinc/79/19/70/431791970.db2.gz JTINNOQUOPKWPI-UHFFFAOYSA-N 1 1 305.349 3.051 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000092756248 431910885 /nfs/dbraw/zinc/91/08/85/431910885.db2.gz ALIZMJQQQDARSO-FQEVSTJZSA-N 1 1 313.489 3.347 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000092756248 431910886 /nfs/dbraw/zinc/91/08/86/431910886.db2.gz ALIZMJQQQDARSO-FQEVSTJZSA-N 1 1 313.489 3.347 20 10 DGCDMO CC[N@H+](C)C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093770026 431917302 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OCQINZMNEGMYJD-LJQANCHMSA-N 1 1 313.397 3.147 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2cc(OC)cc(OC)c2)c1 ZINC000271719862 432422187 /nfs/dbraw/zinc/42/21/87/432422187.db2.gz JOFWOGFVGSNLBZ-UHFFFAOYSA-N 1 1 317.385 3.050 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2CSC)c1O ZINC000184700083 432422814 /nfs/dbraw/zinc/42/28/14/432422814.db2.gz BMNSDGJQFSFNBQ-LBPRGKRZSA-N 1 1 301.839 3.382 20 10 DGCDMO CN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177677439 432648069 /nfs/dbraw/zinc/64/80/69/432648069.db2.gz HIKCNLNYHJEJHE-MRXNPFEDSA-N 1 1 316.445 3.005 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1OC ZINC000160035162 432704897 /nfs/dbraw/zinc/70/48/97/432704897.db2.gz WEWKLHCZIDRSOB-OAHLLOKOSA-N 1 1 313.397 3.399 20 10 DGCDMO C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[S@]1=O ZINC000277779328 432875618 /nfs/dbraw/zinc/87/56/18/432875618.db2.gz WOEOSHZJRSNSEW-KSFYIVLOSA-N 1 1 320.502 3.020 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[S@]1=O ZINC000277779328 432875619 /nfs/dbraw/zinc/87/56/19/432875619.db2.gz WOEOSHZJRSNSEW-KSFYIVLOSA-N 1 1 320.502 3.020 20 10 DGCDMO C[C@H]([NH2+]CCc1cnn(C)c1)c1cc(Cl)c(Cl)cc1O ZINC000278220483 432890037 /nfs/dbraw/zinc/89/00/37/432890037.db2.gz IWWANVVHRCHFGT-VIFPVBQESA-N 1 1 314.216 3.326 20 10 DGCDMO C[C@@H](c1ccccc1O)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296653905 432924463 /nfs/dbraw/zinc/92/44/63/432924463.db2.gz ZDGRODORQQOAHB-KBPBESRZSA-N 1 1 304.434 3.067 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278917841 432916854 /nfs/dbraw/zinc/91/68/54/432916854.db2.gz ULQKVFKAKGWORG-NSHDSACASA-N 1 1 302.330 3.160 20 10 DGCDMO C[C@@H]([NH2+]CCc1cn[nH]c1)c1cc(Cl)c(Cl)cc1O ZINC000289652533 432971056 /nfs/dbraw/zinc/97/10/56/432971056.db2.gz GHXMQPAMAXYQMP-MRVPVSSYSA-N 1 1 300.189 3.315 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000289641113 432971505 /nfs/dbraw/zinc/97/15/05/432971505.db2.gz SMSMROOPPZMUEQ-MSOLQXFVSA-N 1 1 300.446 3.286 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)c1 ZINC000289640985 432971606 /nfs/dbraw/zinc/97/16/06/432971606.db2.gz MIIGBJPSMFIQKJ-UHFFFAOYSA-N 1 1 323.396 3.425 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c1O ZINC000289814578 432974245 /nfs/dbraw/zinc/97/42/45/432974245.db2.gz SZPQCVHWADAXMK-HOCLYGCPSA-N 1 1 307.434 3.306 20 10 DGCDMO CCOc1cccc(C[N@@H+]2CCC3(CC(OCC)C3)C2)c1O ZINC000289972855 432981011 /nfs/dbraw/zinc/98/10/11/432981011.db2.gz ZMKSCRAWRLXYGD-UHFFFAOYSA-N 1 1 305.418 3.182 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1O ZINC000290402334 433045529 /nfs/dbraw/zinc/04/55/29/433045529.db2.gz JNURCGBQFVWAEI-HNNXBMFYSA-N 1 1 315.417 3.468 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2ccccc2N(C)C)c1O ZINC000290234165 433018886 /nfs/dbraw/zinc/01/88/86/433018886.db2.gz TYBRUDQDIVPXKQ-UHFFFAOYSA-N 1 1 300.402 3.099 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@]2(C)CCCO)c1O ZINC000290301375 433029331 /nfs/dbraw/zinc/02/93/31/433029331.db2.gz BHOFAPFJPDXNKK-INIZCTEOSA-N 1 1 313.825 3.181 20 10 DGCDMO Cc1cccc(C[N@H+](Cc2ccco2)C2CCN(C)CC2)c1O ZINC000290318775 433030313 /nfs/dbraw/zinc/03/03/13/433030313.db2.gz CTWRWQGWDYTWFU-UHFFFAOYSA-N 1 1 314.429 3.390 20 10 DGCDMO Cc1cccc(CN(Cc2ccco2)C2CC[NH+](C)CC2)c1O ZINC000290318775 433030315 /nfs/dbraw/zinc/03/03/15/433030315.db2.gz CTWRWQGWDYTWFU-UHFFFAOYSA-N 1 1 314.429 3.390 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000290387328 433042357 /nfs/dbraw/zinc/04/23/57/433042357.db2.gz INHAIHAGXHRWBM-OAHLLOKOSA-N 1 1 301.390 3.078 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1F ZINC000373227184 433133494 /nfs/dbraw/zinc/13/34/94/433133494.db2.gz JHVMTPZSOZXKED-OAHLLOKOSA-N 1 1 316.424 3.005 20 10 DGCDMO C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587022 433106001 /nfs/dbraw/zinc/10/60/01/433106001.db2.gz VAXYGNJOAAFNHZ-YGRLFVJLSA-N 1 1 317.260 3.471 20 10 DGCDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587022 433106007 /nfs/dbraw/zinc/10/60/07/433106007.db2.gz VAXYGNJOAAFNHZ-YGRLFVJLSA-N 1 1 317.260 3.471 20 10 DGCDMO C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587022 433106011 /nfs/dbraw/zinc/10/60/11/433106011.db2.gz VAXYGNJOAAFNHZ-YGRLFVJLSA-N 1 1 317.260 3.471 20 10 DGCDMO C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587022 433106017 /nfs/dbraw/zinc/10/60/17/433106017.db2.gz VAXYGNJOAAFNHZ-YGRLFVJLSA-N 1 1 317.260 3.471 20 10 DGCDMO Oc1ccccc1C[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000374282376 433182382 /nfs/dbraw/zinc/18/23/82/433182382.db2.gz DWGOUFCACHYQEZ-UHFFFAOYSA-N 1 1 300.377 3.244 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000290997443 433216426 /nfs/dbraw/zinc/21/64/26/433216426.db2.gz APVCVKMNYHFJHF-NVXWUHKLSA-N 1 1 305.418 3.180 20 10 DGCDMO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291302201 433232310 /nfs/dbraw/zinc/23/23/10/433232310.db2.gz QRUWOLBLHVGZRF-GOSISDBHSA-N 1 1 317.816 3.182 20 10 DGCDMO OC[C@@]1(c2ccccc2)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000291333803 433233516 /nfs/dbraw/zinc/23/35/16/433233516.db2.gz UYRHXCPECYUEHP-GOSISDBHSA-N 1 1 317.816 3.182 20 10 DGCDMO c1cnn([C@@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)c1 ZINC000291365114 433233926 /nfs/dbraw/zinc/23/39/26/433233926.db2.gz YTRBKZALIAPNHB-LJQANCHMSA-N 1 1 310.445 3.320 20 10 DGCDMO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291302203 433234247 /nfs/dbraw/zinc/23/42/47/433234247.db2.gz QRUWOLBLHVGZRF-SFHVURJKSA-N 1 1 317.816 3.182 20 10 DGCDMO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccncc1 ZINC000292353696 433559379 /nfs/dbraw/zinc/55/93/79/433559379.db2.gz FGQMMXOFFVJRIH-QGZVFWFLSA-N 1 1 312.369 3.099 20 10 DGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccncc1 ZINC000292353696 433559388 /nfs/dbraw/zinc/55/93/88/433559388.db2.gz FGQMMXOFFVJRIH-QGZVFWFLSA-N 1 1 312.369 3.099 20 10 DGCDMO CCCC[N@H+](Cc1nc([C@@H](C)OC)no1)Cc1ccccc1O ZINC000282545946 433615947 /nfs/dbraw/zinc/61/59/47/433615947.db2.gz WMMVTYZQFZEGGM-CYBMUJFWSA-N 1 1 319.405 3.285 20 10 DGCDMO CCCC[N@@H+](Cc1nc([C@@H](C)OC)no1)Cc1ccccc1O ZINC000282545946 433615960 /nfs/dbraw/zinc/61/59/60/433615960.db2.gz WMMVTYZQFZEGGM-CYBMUJFWSA-N 1 1 319.405 3.285 20 10 DGCDMO CCCC[N@@H+](CCCc1nc(C)no1)Cc1ccccc1O ZINC000282564134 433620588 /nfs/dbraw/zinc/62/05/88/433620588.db2.gz YSTKNRGJSRVTIW-UHFFFAOYSA-N 1 1 303.406 3.319 20 10 DGCDMO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc(Cl)ccc1O ZINC000282658906 433623366 /nfs/dbraw/zinc/62/33/66/433623366.db2.gz IILIVWABXZNPCI-SNVBAGLBSA-N 1 1 308.813 3.243 20 10 DGCDMO COCC[N@@H+](Cc1ccc(N(C)C)c(C)c1)Cc1ccccn1 ZINC000293628083 433808464 /nfs/dbraw/zinc/80/84/64/433808464.db2.gz QWGTUZIPYKMFOP-UHFFFAOYSA-N 1 1 313.445 3.105 20 10 DGCDMO COC1CCN(c2ccc(C[N@@H+](C)[C@H]3CCSC3)cc2)CC1 ZINC000294879398 434151657 /nfs/dbraw/zinc/15/16/57/434151657.db2.gz FBTGUXSQZFYNEK-KRWDZBQOSA-N 1 1 320.502 3.239 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c1O ZINC000295309683 434298894 /nfs/dbraw/zinc/29/88/94/434298894.db2.gz VYGAXGAAPZCXRL-CYBMUJFWSA-N 1 1 313.825 3.037 20 10 DGCDMO COc1cccc(CNC2CC[NH+](C3CCCCC3)CC2)c1O ZINC000365822066 434310607 /nfs/dbraw/zinc/31/06/07/434310607.db2.gz SKDLFSLLHZDAOU-UHFFFAOYSA-N 1 1 318.461 3.288 20 10 DGCDMO C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000295828958 434439475 /nfs/dbraw/zinc/43/94/75/434439475.db2.gz DUXTXSUYVVCXKO-WBVHZDCISA-N 1 1 302.462 3.481 20 10 DGCDMO CC[C@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1ccc(F)cc1O ZINC000367599893 434553299 /nfs/dbraw/zinc/55/32/99/434553299.db2.gz ILCJFBRUNRWKKN-HOCLYGCPSA-N 1 1 315.392 3.228 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1O ZINC000367687363 434554512 /nfs/dbraw/zinc/55/45/12/434554512.db2.gz QJOVPEISUHOHCS-HUUCEWRRSA-N 1 1 305.418 3.039 20 10 DGCDMO C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000367687393 434554724 /nfs/dbraw/zinc/55/47/24/434554724.db2.gz NBMQULYEDZCNLH-CQSZACIVSA-N 1 1 308.853 3.209 20 10 DGCDMO C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000367687393 434554731 /nfs/dbraw/zinc/55/47/31/434554731.db2.gz NBMQULYEDZCNLH-CQSZACIVSA-N 1 1 308.853 3.209 20 10 DGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000369797165 434601842 /nfs/dbraw/zinc/60/18/42/434601842.db2.gz SJEJXVSNNNOTDJ-KRWDZBQOSA-N 1 1 309.381 3.125 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(F)cc1O ZINC000370372913 434612484 /nfs/dbraw/zinc/61/24/84/434612484.db2.gz GDHOZIJDSWMHQU-SJKOYZFVSA-N 1 1 300.377 3.369 20 10 DGCDMO COC[C@H]1CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000293532878 334198767 /nfs/dbraw/zinc/19/87/67/334198767.db2.gz BZQXHTRUFZSANO-QGZVFWFLSA-N 1 1 313.397 3.192 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000179828046 534198797 /nfs/dbraw/zinc/19/87/97/534198797.db2.gz JBPZUISZSFCCRR-UHFFFAOYSA-N 1 1 312.413 3.113 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)[C@H](C)c2cccc(O)c2)cc1OC ZINC000180178874 522774431 /nfs/dbraw/zinc/77/44/31/522774431.db2.gz PUGQCSGMZPFMGI-GFCCVEGCSA-N 1 1 317.385 3.308 20 10 DGCDMO C[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CCSC1 ZINC000130478705 523163569 /nfs/dbraw/zinc/16/35/69/523163569.db2.gz OQXYYUBRWNSPTH-LLVKDONJSA-N 1 1 302.237 3.092 20 10 DGCDMO COc1ccc([C@H]2CC[N@@H+](Cc3cc(OC)ccc3O)C2)cc1 ZINC000179955234 525420633 /nfs/dbraw/zinc/42/06/33/525420633.db2.gz SRTVJXBDSUZIAD-HNNXBMFYSA-N 1 1 313.397 3.399 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Cl)c(Cl)cc1O ZINC000192650591 525550976 /nfs/dbraw/zinc/55/09/76/525550976.db2.gz APWVOUJQMONQJU-QPUJVOFHSA-N 1 1 317.216 3.018 20 10 DGCDMO CC1CC[NH+](C[C@H]2CCCN(Cc3ccccc3O)C2)CC1 ZINC000179564221 528254091 /nfs/dbraw/zinc/25/40/91/528254091.db2.gz TZFCJAODVGYNAK-QGZVFWFLSA-N 1 1 302.462 3.336 20 10 DGCDMO CCOC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177366595 529029087 /nfs/dbraw/zinc/02/90/87/529029087.db2.gz AURBIDNSBAUCID-LBPRGKRZSA-N 1 1 311.809 3.107 20 10 DGCDMO CC[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(F)cc1O ZINC000285977013 535906589 /nfs/dbraw/zinc/90/65/89/535906589.db2.gz HLMUUMNZGMDINM-RNODOKPDSA-N 1 1 301.427 3.119 20 10 DGCDMO CC[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(F)cc1O ZINC000286375736 535946444 /nfs/dbraw/zinc/94/64/44/535946444.db2.gz ALERGCVTZSYCRY-GJZGRUSLSA-N 1 1 303.381 3.383 20 10 DGCDMO CCN(CC)c1ccc(CNC[C@H]2CC[N@@H+](C(C)C)C2)cc1F ZINC000740004808 574917833 /nfs/dbraw/zinc/91/78/33/574917833.db2.gz WRUKIZKUDDLTKO-QGZVFWFLSA-N 1 1 321.484 3.492 20 10 DGCDMO CCN(CC)c1ccc(CNC[C@H]2CC[N@H+](C(C)C)C2)cc1F ZINC000740004808 574917835 /nfs/dbraw/zinc/91/78/35/574917835.db2.gz WRUKIZKUDDLTKO-QGZVFWFLSA-N 1 1 321.484 3.492 20 10 DGCDMO CCOc1ccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)c(O)c1 ZINC000742390514 574995881 /nfs/dbraw/zinc/99/58/81/574995881.db2.gz JKAGNXZFPZVKMT-NSHDSACASA-N 1 1 319.405 3.322 20 10 DGCDMO C[NH+](C)[C@H](CNC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000746697456 575470709 /nfs/dbraw/zinc/47/07/09/575470709.db2.gz VAGAAJBLIOZUNZ-CYBMUJFWSA-N 1 1 324.833 3.140 20 10 DGCDMO CCC[N@@H+](CC(=O)NC1CCCCCC1)Cc1ccccc1O ZINC000750874948 575757121 /nfs/dbraw/zinc/75/71/21/575757121.db2.gz JWGZYERKRJGFBG-UHFFFAOYSA-N 1 1 318.461 3.443 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000916836789 620646991 /nfs/dbraw/zinc/64/69/91/620646991.db2.gz MXPIPXZXFYKRBF-HNNXBMFYSA-N 1 1 316.367 3.296 20 10 DGCDMO COc1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)cc1C ZINC000853093984 620667916 /nfs/dbraw/zinc/66/79/16/620667916.db2.gz VTIVCRUMGUTVQJ-GOSISDBHSA-N 1 1 302.462 3.215 20 10 DGCDMO COc1ccc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1C ZINC000853093984 620667918 /nfs/dbraw/zinc/66/79/18/620667918.db2.gz VTIVCRUMGUTVQJ-GOSISDBHSA-N 1 1 302.462 3.215 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(F)cc(F)c1[O-] ZINC000853242054 620681305 /nfs/dbraw/zinc/68/13/05/620681305.db2.gz ZUPRWVGLYZETHW-GXTWGEPZSA-N 1 1 324.415 3.443 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c(O)c(C(C)(C)C)c1 ZINC000853565088 620710463 /nfs/dbraw/zinc/71/04/63/620710463.db2.gz AFJLZWOLGJGARC-HNAYVOBHSA-N 1 1 303.446 3.466 20 10 DGCDMO COc1cc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c(O)c(C(C)(C)C)c1 ZINC000853566321 620710503 /nfs/dbraw/zinc/71/05/03/620710503.db2.gz NXMCCOMSQLQGPH-LIRRHRJNSA-N 1 1 319.445 3.167 20 10 DGCDMO COc1cc(O)c(C[N@@H+](CCC2CC2)CC2CC2)cc1OC ZINC000853604962 620714927 /nfs/dbraw/zinc/71/49/27/620714927.db2.gz BMVDJGVZEWEGQK-UHFFFAOYSA-N 1 1 305.418 3.422 20 10 DGCDMO COc1cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c(O)cc1C ZINC000853622175 620716495 /nfs/dbraw/zinc/71/64/95/620716495.db2.gz CUJNYKZMRIMEDV-KDURUIRLSA-N 1 1 317.429 3.102 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1c1ccncc1)OCO2 ZINC000853629663 620717698 /nfs/dbraw/zinc/71/76/98/620717698.db2.gz LSLVXBFZBWMWBT-SFHVURJKSA-N 1 1 324.380 3.243 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1c1ccncc1)OCO2 ZINC000853629663 620717701 /nfs/dbraw/zinc/71/77/01/620717701.db2.gz LSLVXBFZBWMWBT-SFHVURJKSA-N 1 1 324.380 3.243 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc3[nH]c(=O)oc32)cc1 ZINC000891399817 617792419 /nfs/dbraw/zinc/79/24/19/617792419.db2.gz LZXAXCGPOIRFHN-UHFFFAOYSA-N 1 1 311.385 3.231 20 10 DGCDMO COc1ccc(C[N@H+]2CCCc3ccccc3C2)c(O)c1OC ZINC000891931499 617928142 /nfs/dbraw/zinc/92/81/42/617928142.db2.gz KWYSILDBQYCVRP-UHFFFAOYSA-N 1 1 313.397 3.358 20 10 DGCDMO COc1ccc(C[N@H+]2CCCc3sccc3C2)c(O)c1OC ZINC000892005513 617943528 /nfs/dbraw/zinc/94/35/28/617943528.db2.gz WJYFAZSBOLJARK-UHFFFAOYSA-N 1 1 319.426 3.419 20 10 DGCDMO CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000854230475 620786562 /nfs/dbraw/zinc/78/65/62/620786562.db2.gz RCDPHFFDPAVBGR-GXFFZTMASA-N 1 1 315.255 3.179 20 10 DGCDMO CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000854230476 620786666 /nfs/dbraw/zinc/78/66/66/620786666.db2.gz RCDPHFFDPAVBGR-ZWNOBZJWSA-N 1 1 315.255 3.179 20 10 DGCDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)[nH]1 ZINC000894554916 618384483 /nfs/dbraw/zinc/38/44/83/618384483.db2.gz BPFVCVRBZZSHNF-NWDGAFQWSA-N 1 1 318.421 3.192 20 10 DGCDMO Oc1c(Br)cccc1C[NH2+][C@@H]1CCc2cccnc21 ZINC000894571593 618389254 /nfs/dbraw/zinc/38/92/54/618389254.db2.gz SUFKUNYXNSTMPS-CYBMUJFWSA-N 1 1 319.202 3.327 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2c2nc(C)no2)c1O ZINC000894757216 618447840 /nfs/dbraw/zinc/44/78/40/618447840.db2.gz UJTMURQMKYLCLD-AWEZNQCLSA-N 1 1 317.389 3.128 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@H]2c2nc(C)no2)c1O ZINC000894757216 618447842 /nfs/dbraw/zinc/44/78/42/618447842.db2.gz UJTMURQMKYLCLD-AWEZNQCLSA-N 1 1 317.389 3.128 20 10 DGCDMO COCCC[N@H+](Cc1ccncc1)Cc1cc(F)cc(F)c1O ZINC000894769367 618448609 /nfs/dbraw/zinc/44/86/09/618448609.db2.gz FKRQGMOANBETLB-UHFFFAOYSA-N 1 1 322.355 3.104 20 10 DGCDMO COCCC[N@@H+](Cc1ccncc1)Cc1cc(F)cc(F)c1O ZINC000894769367 618448613 /nfs/dbraw/zinc/44/86/13/618448613.db2.gz FKRQGMOANBETLB-UHFFFAOYSA-N 1 1 322.355 3.104 20 10 DGCDMO C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(F)cc(F)c2[O-])cc1 ZINC000894766322 618452598 /nfs/dbraw/zinc/45/25/98/618452598.db2.gz PWBJHYGQBAHHNT-UHFFFAOYSA-N 1 1 320.383 3.364 20 10 DGCDMO C[N@H+](Cc1cc(F)cc(F)c1O)C[C@](C)(O)c1ccccc1 ZINC000895055927 618521124 /nfs/dbraw/zinc/52/11/24/618521124.db2.gz ZJHBZGIAPSQDOE-KRWDZBQOSA-N 1 1 307.340 3.010 20 10 DGCDMO C[N@@H+](Cc1cc(F)cc(F)c1O)C[C@](C)(O)c1ccccc1 ZINC000895055927 618521125 /nfs/dbraw/zinc/52/11/25/618521125.db2.gz ZJHBZGIAPSQDOE-KRWDZBQOSA-N 1 1 307.340 3.010 20 10 DGCDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000840917996 618529931 /nfs/dbraw/zinc/52/99/31/618529931.db2.gz XTOUBNMTDXREJJ-LPHOPBHVSA-N 1 1 303.494 3.223 20 10 DGCDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000840917996 618529934 /nfs/dbraw/zinc/52/99/34/618529934.db2.gz XTOUBNMTDXREJJ-LPHOPBHVSA-N 1 1 303.494 3.223 20 10 DGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c1O ZINC000925776484 618616151 /nfs/dbraw/zinc/61/61/51/618616151.db2.gz KRXCGBZOZSSTRF-QWRGUYRKSA-N 1 1 318.795 3.249 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CS[C@@H](C)C2)c1 ZINC000840958062 618634473 /nfs/dbraw/zinc/63/44/73/618634473.db2.gz IDCOUISFCWWZPA-ONGXEEELSA-N 1 1 316.264 3.447 20 10 DGCDMO COCC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@H]1CC[C@H](C)C1 ZINC000893998787 618691638 /nfs/dbraw/zinc/69/16/38/618691638.db2.gz AEXJROOFRSSOLS-ZFWWWQNUSA-N 1 1 323.433 3.046 20 10 DGCDMO COCC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@H]1CC[C@@H](C)C1 ZINC000893998785 618691842 /nfs/dbraw/zinc/69/18/42/618691842.db2.gz AEXJROOFRSSOLS-HIFRSBDPSA-N 1 1 323.433 3.046 20 10 DGCDMO C[C@H]1C[C@H](CC[NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000790986267 618732397 /nfs/dbraw/zinc/73/23/97/618732397.db2.gz LJEWPRGPIMVQBB-WDEREUQCSA-N 1 1 301.789 3.480 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@](OC)(C(F)(F)F)C2)c1O ZINC000895572200 618800237 /nfs/dbraw/zinc/80/02/37/618800237.db2.gz BYSYYUIPSOEWPB-CQSZACIVSA-N 1 1 303.324 3.108 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H](c3nccs3)C2)cc1F ZINC000895582296 618804324 /nfs/dbraw/zinc/80/43/24/618804324.db2.gz KAWODSYELAAOOA-NSHDSACASA-N 1 1 323.412 3.477 20 10 DGCDMO COc1ccc(C[N@@H+](CCO)Cc2cc(Cl)ccc2O)cc1 ZINC000895710082 618822846 /nfs/dbraw/zinc/82/28/46/618822846.db2.gz FWLVFHHPQIHYIQ-UHFFFAOYSA-N 1 1 321.804 3.049 20 10 DGCDMO Cc1nc([C@@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)no1 ZINC000896229801 618888958 /nfs/dbraw/zinc/88/89/58/618888958.db2.gz FWMUMEHBIDCFQR-LLVKDONJSA-N 1 1 307.781 3.035 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896534111 618926007 /nfs/dbraw/zinc/92/60/07/618926007.db2.gz GKPGNWAYFATMMP-LBPRGKRZSA-N 1 1 306.406 3.443 20 10 DGCDMO COc1c(O)c(C[NH+]2CCC(F)(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000896946360 618991838 /nfs/dbraw/zinc/99/18/38/618991838.db2.gz SGZAMAFPVVWXCK-UHFFFAOYSA-N 1 1 324.352 3.023 20 10 DGCDMO CC(C)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cnn(C)c1 ZINC000897081574 619012297 /nfs/dbraw/zinc/01/22/97/619012297.db2.gz PMOPJQPCVCMUCO-OAHLLOKOSA-N 1 1 311.788 3.405 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000897270027 619040201 /nfs/dbraw/zinc/04/02/01/619040201.db2.gz VRDMXLDCIFGXAA-MRXNPFEDSA-N 1 1 319.445 3.430 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](Cc3nc(C)no3)C2)c1O ZINC000897577877 619162815 /nfs/dbraw/zinc/16/28/15/619162815.db2.gz ZZICLIBMTQQEDS-AWEZNQCLSA-N 1 1 315.417 3.101 20 10 DGCDMO CCCN(CCC)c1ccc(C[NH2+]Cc2cn(C)cn2)cc1 ZINC000898045474 619204370 /nfs/dbraw/zinc/20/43/70/619204370.db2.gz OSTFSWDZGYRFTC-UHFFFAOYSA-N 1 1 300.450 3.336 20 10 DGCDMO CC(C)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1cnn(C)c1 ZINC000927069171 619261996 /nfs/dbraw/zinc/26/19/96/619261996.db2.gz LKKLJLGBNNQOSW-ZUZCIYMTSA-N 1 1 309.360 3.452 20 10 DGCDMO Cc1ccc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000898452497 619276790 /nfs/dbraw/zinc/27/67/90/619276790.db2.gz YZGCQBOGJSXJBI-GOSISDBHSA-N 1 1 301.434 3.047 20 10 DGCDMO CN(C)c1ccc([C@H](CN[C@@H]2CCc3cccnc32)[NH+](C)C)cc1 ZINC000898447957 619276857 /nfs/dbraw/zinc/27/68/57/619276857.db2.gz NSTYPHIBJPUJMP-MOPGFXCFSA-N 1 1 324.472 3.027 20 10 DGCDMO COc1cccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000898516208 619283182 /nfs/dbraw/zinc/28/31/82/619283182.db2.gz NZAZILZDBKMSMR-GDBMZVCRSA-N 1 1 305.418 3.039 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000898516411 619283530 /nfs/dbraw/zinc/28/35/30/619283530.db2.gz RPCUQWVTDLNKOH-CABCVRRESA-N 1 1 305.418 3.039 20 10 DGCDMO C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000902450804 619640016 /nfs/dbraw/zinc/64/00/16/619640016.db2.gz UMIZMNYLNRUNIB-KCJUWKMLSA-N 1 1 303.233 3.348 20 10 DGCDMO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000903259326 619746426 /nfs/dbraw/zinc/74/64/26/619746426.db2.gz HSGUOJKBDWTKQM-UEJVZZJDSA-N 1 1 317.216 3.004 20 10 DGCDMO Cc1cc(CO)cc(C)c1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000903307553 619756725 /nfs/dbraw/zinc/75/67/25/619756725.db2.gz KAIXNJBRZRUDJS-CYBMUJFWSA-N 1 1 303.377 3.491 20 10 DGCDMO C[C@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccoc1 ZINC000903447806 619778155 /nfs/dbraw/zinc/77/81/55/619778155.db2.gz CUSWTTZTYJQYQK-KBXCAEBGSA-N 1 1 301.434 3.299 20 10 DGCDMO Cc1cc([C@@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000903449644 619778670 /nfs/dbraw/zinc/77/86/70/619778670.db2.gz YYANMBCZEXWNKR-RDTXWAMCSA-N 1 1 316.449 3.003 20 10 DGCDMO Nc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC000903946814 619843690 /nfs/dbraw/zinc/84/36/90/619843690.db2.gz BEOQIJNTXGRJTK-UHFFFAOYSA-N 1 1 304.777 3.022 20 10 DGCDMO Nc1ccc2c(c1)C[N@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC000903946814 619843693 /nfs/dbraw/zinc/84/36/93/619843693.db2.gz BEOQIJNTXGRJTK-UHFFFAOYSA-N 1 1 304.777 3.022 20 10 DGCDMO Cn1nccc1[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000905741185 620025090 /nfs/dbraw/zinc/02/50/90/620025090.db2.gz LWBOOMQQFFFHSC-QGZVFWFLSA-N 1 1 308.385 3.011 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)cc1F ZINC000841100816 620450655 /nfs/dbraw/zinc/45/06/55/620450655.db2.gz KXAPIIJVYUAAKJ-GDBMZVCRSA-N 1 1 307.457 3.089 20 10 DGCDMO CC[C@H]1COCC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000151898532 620480167 /nfs/dbraw/zinc/48/01/67/620480167.db2.gz MPGLBOHASHYNDF-AWEZNQCLSA-N 1 1 301.386 3.165 20 10 DGCDMO COc1cc(C[N@H+]2CCCOC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000754739469 620578185 /nfs/dbraw/zinc/57/81/85/620578185.db2.gz CCXXLOPEPFOHDP-CYBMUJFWSA-N 1 1 307.434 3.309 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@H]2COc3ccccc3O2)cc1C ZINC000915824967 620600102 /nfs/dbraw/zinc/60/01/02/620600102.db2.gz MNMPLHGFIMFAQD-INIZCTEOSA-N 1 1 313.397 3.281 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(C)nc3)CC2)cc1 ZINC000153787239 620606715 /nfs/dbraw/zinc/60/67/15/620606715.db2.gz HFHCFRAATNXRBU-UHFFFAOYSA-N 1 1 311.429 3.111 20 10 DGCDMO Cc1ccc2nc(CNCc3ccc4c(c3)CCCO4)[nH]c2c1 ZINC000921807830 620952834 /nfs/dbraw/zinc/95/28/34/620952834.db2.gz QIIAOPVRECUNRF-UHFFFAOYSA-N 1 1 307.397 3.486 20 10 DGCDMO Cc1ccc2nc(C[NH2+]Cc3ccc4c(c3)CCCO4)[nH]c2c1 ZINC000921807830 620952838 /nfs/dbraw/zinc/95/28/38/620952838.db2.gz QIIAOPVRECUNRF-UHFFFAOYSA-N 1 1 307.397 3.486 20 10 DGCDMO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)[nH]1 ZINC000922053346 620984008 /nfs/dbraw/zinc/98/40/08/620984008.db2.gz GJXNAAJGBVLXCE-STQMWFEESA-N 1 1 314.433 3.494 20 10 DGCDMO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000858245114 621167692 /nfs/dbraw/zinc/16/76/92/621167692.db2.gz CHNMUBOTCVZDLO-IWHGQQBYSA-N 1 1 301.478 3.087 20 10 DGCDMO CN(C)c1ccc(/C=C/CNC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000858245114 621167695 /nfs/dbraw/zinc/16/76/95/621167695.db2.gz CHNMUBOTCVZDLO-IWHGQQBYSA-N 1 1 301.478 3.087 20 10 DGCDMO CN(C)c1ccc(/C=C/CNC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000858245114 621167697 /nfs/dbraw/zinc/16/76/97/621167697.db2.gz CHNMUBOTCVZDLO-IWHGQQBYSA-N 1 1 301.478 3.087 20 10 DGCDMO CN(C)c1ccc(/C=C/CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858286210 621171842 /nfs/dbraw/zinc/17/18/42/621171842.db2.gz UUQCXUXSFUZVJB-RRFGBZISSA-N 1 1 313.489 3.372 20 10 DGCDMO CN(C)c1ccc(/C=C/CNC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000858286210 621171846 /nfs/dbraw/zinc/17/18/46/621171846.db2.gz UUQCXUXSFUZVJB-RRFGBZISSA-N 1 1 313.489 3.372 20 10 DGCDMO COc1ncncc1C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000858294366 621172564 /nfs/dbraw/zinc/17/25/64/621172564.db2.gz GRSFPUMLWDWJAT-UHFFFAOYSA-N 1 1 322.412 3.183 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC34CC4)cc2)CC1 ZINC000858332926 621176949 /nfs/dbraw/zinc/17/69/49/621176949.db2.gz RLRYJJSFSKODNU-SFHVURJKSA-N 1 1 313.489 3.108 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1O ZINC000858449460 621192498 /nfs/dbraw/zinc/19/24/98/621192498.db2.gz MAJBGEIVWIKEMN-NOZJJQNGSA-N 1 1 317.286 3.182 20 10 DGCDMO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000858508358 621200288 /nfs/dbraw/zinc/20/02/88/621200288.db2.gz MYYYXYHXWLLBBS-GWCFXTLKSA-N 1 1 309.793 3.348 20 10 DGCDMO O=C(CC[N@H+](Cc1ccccc1O)C1CCCC1)N1CCCC1 ZINC000838846358 621289843 /nfs/dbraw/zinc/28/98/43/621289843.db2.gz IMGJPDXYMXMSBJ-UHFFFAOYSA-N 1 1 316.445 3.149 20 10 DGCDMO Oc1ccc(Br)cc1C[NH+]1CC2(CC(F)C2)C1 ZINC000839139133 621340457 /nfs/dbraw/zinc/34/04/57/621340457.db2.gz CMPPLDUBVJMACZ-UHFFFAOYSA-N 1 1 300.171 3.089 20 10 DGCDMO C[N@H+]1CCC[C@H](CC[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000839182139 621344038 /nfs/dbraw/zinc/34/40/38/621344038.db2.gz LBLYVAFRGFNKJG-LLVKDONJSA-N 1 1 300.805 3.006 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000753545583 621447314 /nfs/dbraw/zinc/44/73/14/621447314.db2.gz FXFQGZVVHGMING-GOSISDBHSA-N 1 1 313.397 3.192 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC(C)(C)C1 ZINC000753576839 621450341 /nfs/dbraw/zinc/45/03/41/621450341.db2.gz UZDHHDYIFWZXAY-INIZCTEOSA-N 1 1 302.462 3.391 20 10 DGCDMO Cc1ccc(N2CC[NH+](Cc3cccc(F)c3O)CC2)cc1 ZINC000753574798 621450610 /nfs/dbraw/zinc/45/06/10/621450610.db2.gz FFELMFWOWSDKSX-UHFFFAOYSA-N 1 1 300.377 3.162 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)C[C@@H](C)c2nccs2)c(O)c1 ZINC000753596181 621452556 /nfs/dbraw/zinc/45/25/56/621452556.db2.gz VXNAZYOXQTXUCN-GFCCVEGCSA-N 1 1 306.431 3.483 20 10 DGCDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000753966562 621475478 /nfs/dbraw/zinc/47/54/78/621475478.db2.gz ZGVGMQTYMUZCKS-FQEVSTJZSA-N 1 1 312.457 3.442 20 10 DGCDMO CCC1CCC([N@@H+](CCO)Cc2cc(OC)ccc2O)CC1 ZINC000754153498 621492020 /nfs/dbraw/zinc/49/20/20/621492020.db2.gz JEWUDEFBDNDDNJ-UHFFFAOYSA-N 1 1 307.434 3.164 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)CCN(C)c2ccccc2)c1O ZINC000754725997 621528601 /nfs/dbraw/zinc/52/86/01/621528601.db2.gz JMACKWUJELZCCI-UHFFFAOYSA-N 1 1 314.429 3.277 20 10 DGCDMO C[N@@H+](Cc1c(O)cccc1Br)[C@H]1CCSC1 ZINC000862221041 621562764 /nfs/dbraw/zinc/56/27/64/621562764.db2.gz QFAOYFCEOBWHDO-VIFPVBQESA-N 1 1 302.237 3.092 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1F ZINC000862218378 621562863 /nfs/dbraw/zinc/56/28/63/621562863.db2.gz KSLXAHPMUYCUIE-LBPRGKRZSA-N 1 1 310.388 3.032 20 10 DGCDMO CN(C)c1c(F)c(F)ccc1C[N@@H+](C)Cc1ccccc1O ZINC000862228755 621564495 /nfs/dbraw/zinc/56/44/95/621564495.db2.gz WXDFXBKWTVRIFW-UHFFFAOYSA-N 1 1 306.356 3.368 20 10 DGCDMO CCOC1CC2(C1)CC[N@@H+](Cc1cc(F)c(N(C)C)cc1F)C2 ZINC000862364564 621579006 /nfs/dbraw/zinc/57/90/06/621579006.db2.gz DCAJOXJWODDAPU-UHFFFAOYSA-N 1 1 324.415 3.422 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@]2(C)CCCO)cc1F ZINC000862368183 621579890 /nfs/dbraw/zinc/57/98/90/621579890.db2.gz DOQFJKJZVUOIIE-QGZVFWFLSA-N 1 1 312.404 3.158 20 10 DGCDMO COC[C@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862390317 621583492 /nfs/dbraw/zinc/58/34/92/621583492.db2.gz CEDDJAFYTGVCMK-ZDUSSCGKSA-N 1 1 312.404 3.279 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000862526797 621596375 /nfs/dbraw/zinc/59/63/75/621596375.db2.gz DSVPFOXUEAOYDY-FGSXEWAUSA-N 1 1 320.502 3.018 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c(O)c1 ZINC000862540491 621599086 /nfs/dbraw/zinc/59/90/86/621599086.db2.gz GRPTYRXHMFWXPW-HNNXBMFYSA-N 1 1 313.397 3.486 20 10 DGCDMO CCN(CC[NH2+][C@H](C)c1ccc(F)cc1O)CCC(F)(F)F ZINC000756051435 621612234 /nfs/dbraw/zinc/61/22/34/621612234.db2.gz WQSDVDIEGXSPNZ-LLVKDONJSA-N 1 1 322.346 3.456 20 10 DGCDMO C[C@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccc(F)cc1O ZINC000756340349 621629124 /nfs/dbraw/zinc/62/91/24/621629124.db2.gz DWWUSEKJJQTFQI-YOEHRIQHSA-N 1 1 316.420 3.355 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(F)c(C)c2)c1 ZINC000756367170 621631946 /nfs/dbraw/zinc/63/19/46/621631946.db2.gz XFUMYAFHNZTNKU-GFCCVEGCSA-N 1 1 317.360 3.477 20 10 DGCDMO COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000756536673 621646071 /nfs/dbraw/zinc/64/60/71/621646071.db2.gz SMQGNLYOYXOMRU-GFCCVEGCSA-N 1 1 304.365 3.403 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)ccc2F)c1 ZINC000756549380 621647201 /nfs/dbraw/zinc/64/72/01/621647201.db2.gz NJCCWNFCHHICJC-JTQLQIEISA-N 1 1 321.323 3.308 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c1 ZINC000756601838 621652134 /nfs/dbraw/zinc/65/21/34/621652134.db2.gz BKEBAQVEWHUBEJ-FZKQIMNGSA-N 1 1 323.433 3.017 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c1 ZINC000756625384 621653552 /nfs/dbraw/zinc/65/35/52/621653552.db2.gz KAAFRRRCVLKHEO-GYOIFBIXSA-N 1 1 321.417 3.033 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1cc(F)cc(F)c1O ZINC000756640158 621655265 /nfs/dbraw/zinc/65/52/65/621655265.db2.gz KEDTYSXKICRMOF-SCZZXKLOSA-N 1 1 305.415 3.170 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cnccc2C)c1 ZINC000756675958 621658471 /nfs/dbraw/zinc/65/84/71/621658471.db2.gz JHBFXPRCHGSITI-QWHCGFSZSA-N 1 1 314.385 3.294 20 10 DGCDMO CC(C)OC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000756705197 621659034 /nfs/dbraw/zinc/65/90/34/621659034.db2.gz DOVAXORVFOHANB-LBPRGKRZSA-N 1 1 324.396 3.191 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccc(F)cc1O ZINC000756741916 621661682 /nfs/dbraw/zinc/66/16/82/621661682.db2.gz YRMCJZUPSGTUNE-RFAUZJTJSA-N 1 1 311.303 3.194 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@@H](CCF)C3)c2c1 ZINC000863318197 621662687 /nfs/dbraw/zinc/66/26/87/621662687.db2.gz UMGYROIYLBURMH-HNNXBMFYSA-N 1 1 319.376 3.114 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Cl)o2)c1 ZINC000756791926 621664738 /nfs/dbraw/zinc/66/47/38/621664738.db2.gz YVMVGXLBRWPHQZ-SECBINFHSA-N 1 1 309.749 3.276 20 10 DGCDMO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC000863651835 621693855 /nfs/dbraw/zinc/69/38/55/621693855.db2.gz NFZREWSRNOWHAW-BGYRXZFFSA-N 1 1 313.489 3.108 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000757865451 621743768 /nfs/dbraw/zinc/74/37/68/621743768.db2.gz GPKIGEWQFRMYRT-DOTOQJQBSA-N 1 1 307.434 3.020 20 10 DGCDMO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000757994122 621751928 /nfs/dbraw/zinc/75/19/28/621751928.db2.gz HFMSSXKCAMIMQQ-GOSISDBHSA-N 1 1 315.388 3.365 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000757994122 621751929 /nfs/dbraw/zinc/75/19/29/621751929.db2.gz HFMSSXKCAMIMQQ-GOSISDBHSA-N 1 1 315.388 3.365 20 10 DGCDMO Cc1ccc(C[N@H+](C)Cc2cc(Br)ccc2O)nc1 ZINC000789594879 625532178 /nfs/dbraw/zinc/53/21/78/625532178.db2.gz NKMAFYVZLLZACP-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO Cc1ccc(C[N@@H+](C)Cc2cccc(Br)c2O)nc1 ZINC000789594337 625532220 /nfs/dbraw/zinc/53/22/20/625532220.db2.gz KPKQUHCOHQWEGC-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO Cc1ccc(C[N@H+](C)Cc2cccc(Br)c2O)nc1 ZINC000789594337 625532226 /nfs/dbraw/zinc/53/22/26/625532226.db2.gz KPKQUHCOHQWEGC-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1O ZINC000789770314 625563157 /nfs/dbraw/zinc/56/31/57/625563157.db2.gz VBCIQHJGERNREJ-MRXNPFEDSA-N 1 1 318.804 3.402 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)CC2CCC3(CC2)OCCO3)cc1 ZINC000789743642 625559772 /nfs/dbraw/zinc/55/97/72/625559772.db2.gz DRQCZPDRWMBDRL-UHFFFAOYSA-N 1 1 318.461 3.118 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2cc(C)ccc2O)cc1OC ZINC000768168734 622443004 /nfs/dbraw/zinc/44/30/04/622443004.db2.gz MOFWOUSDNJBOLT-UHFFFAOYSA-N 1 1 301.386 3.350 20 10 DGCDMO C[N@H+](Cc1c(O)cccc1Cl)C[C@H]1COc2ccccc2O1 ZINC000768181633 622443537 /nfs/dbraw/zinc/44/35/37/622443537.db2.gz SJVNSOBTEKXXGN-LBPRGKRZSA-N 1 1 319.788 3.317 20 10 DGCDMO C[N@H+](Cc1c(O)cccc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000768181631 622443698 /nfs/dbraw/zinc/44/36/98/622443698.db2.gz SJVNSOBTEKXXGN-GFCCVEGCSA-N 1 1 319.788 3.317 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2ccnn2CC)cc1 ZINC000768208125 622445393 /nfs/dbraw/zinc/44/53/93/622445393.db2.gz NQUOMYRUWCPCDJ-UHFFFAOYSA-N 1 1 300.450 3.381 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccnn2CC)cc1 ZINC000768208125 622445394 /nfs/dbraw/zinc/44/53/94/622445394.db2.gz NQUOMYRUWCPCDJ-UHFFFAOYSA-N 1 1 300.450 3.381 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c(O)c1 ZINC000768239444 622447182 /nfs/dbraw/zinc/44/71/82/622447182.db2.gz WEVYWLIGBDASNI-LJQANCHMSA-N 1 1 313.397 3.364 20 10 DGCDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000768440049 622456025 /nfs/dbraw/zinc/45/60/25/622456025.db2.gz NGSCRYQSULSLQA-KRWDZBQOSA-N 1 1 317.429 3.189 20 10 DGCDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000768440053 622456415 /nfs/dbraw/zinc/45/64/15/622456415.db2.gz NGSCRYQSULSLQA-QGZVFWFLSA-N 1 1 317.429 3.189 20 10 DGCDMO COc1cc(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c(O)cc1C ZINC000768446287 622457184 /nfs/dbraw/zinc/45/71/84/622457184.db2.gz JHMZLRFRUURMQG-QGZVFWFLSA-N 1 1 318.461 3.160 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H]2CN2CCCCC2)c(O)cc1C ZINC000768446287 622457186 /nfs/dbraw/zinc/45/71/86/622457186.db2.gz JHMZLRFRUURMQG-QGZVFWFLSA-N 1 1 318.461 3.160 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H]([C@H]3CCOC3)C1)CCCC2 ZINC000768461852 622457517 /nfs/dbraw/zinc/45/75/17/622457517.db2.gz GCKITAOIQLDQDM-IRXDYDNUSA-N 1 1 301.430 3.129 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]3COCC[C@H]31)CCCC2 ZINC000768462613 622458051 /nfs/dbraw/zinc/45/80/51/622458051.db2.gz ANSFZJFHZJOIAK-FUHWJXTLSA-N 1 1 301.430 3.272 20 10 DGCDMO Cc1nccn1CCC[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768461949 622458136 /nfs/dbraw/zinc/45/81/36/622458136.db2.gz IAKRUVJDHQJXTO-UHFFFAOYSA-N 1 1 313.445 3.298 20 10 DGCDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464127 622458158 /nfs/dbraw/zinc/45/81/58/622458158.db2.gz ZYSOYWKFQHXDMQ-XGWLTEMNSA-N 1 1 305.418 3.219 20 10 DGCDMO CC(C)CC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462486 622458255 /nfs/dbraw/zinc/45/82/55/622458255.db2.gz LXBGOYKFDNJPAH-YOEHRIQHSA-N 1 1 305.418 3.219 20 10 DGCDMO CC[NH+](CC)C[C@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000768466747 622458756 /nfs/dbraw/zinc/45/87/56/622458756.db2.gz WAGCSHAJXUTMCU-MRXNPFEDSA-N 1 1 316.489 3.435 20 10 DGCDMO C[C@](O)(C1CC[NH+](Cc2cccc(F)c2O)CC1)C(F)(F)F ZINC000768531666 622462527 /nfs/dbraw/zinc/46/25/27/622462527.db2.gz HRWKTKKIJSGNQT-AWEZNQCLSA-N 1 1 321.314 3.057 20 10 DGCDMO CCOc1cccc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c1O ZINC000768893950 622483935 /nfs/dbraw/zinc/48/39/35/622483935.db2.gz WHHIGSQRGBXWJG-OAHLLOKOSA-N 1 1 315.413 3.174 20 10 DGCDMO COc1cccc(O)c1CN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000768913121 622484913 /nfs/dbraw/zinc/48/49/13/622484913.db2.gz FNZKBBRRKADQDI-OWCLPIDISA-N 1 1 318.461 3.238 20 10 DGCDMO CCOC(=O)C[N@H+](Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000768927657 622485796 /nfs/dbraw/zinc/48/57/96/622485796.db2.gz UNSPSADIWVCZKL-UHFFFAOYSA-N 1 1 318.461 3.450 20 10 DGCDMO CCOC(=O)C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C(C)C ZINC000768927657 622485797 /nfs/dbraw/zinc/48/57/97/622485797.db2.gz UNSPSADIWVCZKL-UHFFFAOYSA-N 1 1 318.461 3.450 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000768936790 622486770 /nfs/dbraw/zinc/48/67/70/622486770.db2.gz HQQOXSDSMNUOGV-LJQANCHMSA-N 1 1 301.478 3.203 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000768936790 622486771 /nfs/dbraw/zinc/48/67/71/622486771.db2.gz HQQOXSDSMNUOGV-LJQANCHMSA-N 1 1 301.478 3.203 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000769160527 622503454 /nfs/dbraw/zinc/50/34/54/622503454.db2.gz IEKUEFKDYQBPRB-LJQANCHMSA-N 1 1 301.478 3.203 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCN3CCCC[C@@H]3C2)cc1 ZINC000769160527 622503456 /nfs/dbraw/zinc/50/34/56/622503456.db2.gz IEKUEFKDYQBPRB-LJQANCHMSA-N 1 1 301.478 3.203 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCN3CCCC[C@@H]3C2)cc1 ZINC000769160527 622503458 /nfs/dbraw/zinc/50/34/58/622503458.db2.gz IEKUEFKDYQBPRB-LJQANCHMSA-N 1 1 301.478 3.203 20 10 DGCDMO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000769341628 622519064 /nfs/dbraw/zinc/51/90/64/622519064.db2.gz FMICNKRXYGVTRU-CYBMUJFWSA-N 1 1 322.836 3.023 20 10 DGCDMO CCCC[N@@H+](CCOC)Cc1cc(Br)ccc1O ZINC000769389506 622523830 /nfs/dbraw/zinc/52/38/30/622523830.db2.gz PMONMVQRFDTXOC-UHFFFAOYSA-N 1 1 316.239 3.403 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000769399363 622524710 /nfs/dbraw/zinc/52/47/10/622524710.db2.gz PKGVBHPHCURGLH-IBGZPJMESA-N 1 1 313.397 3.148 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)cc1F ZINC000769483689 622532852 /nfs/dbraw/zinc/53/28/52/622532852.db2.gz AKPOJRHDKHTCAX-GOSISDBHSA-N 1 1 306.425 3.283 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)cc1F ZINC000769483689 622532854 /nfs/dbraw/zinc/53/28/54/622532854.db2.gz AKPOJRHDKHTCAX-GOSISDBHSA-N 1 1 306.425 3.283 20 10 DGCDMO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000769514403 622536834 /nfs/dbraw/zinc/53/68/34/622536834.db2.gz LYDOOKOLZRLEST-PXAZEXFGSA-N 1 1 319.426 3.424 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000769514403 622536836 /nfs/dbraw/zinc/53/68/36/622536836.db2.gz LYDOOKOLZRLEST-PXAZEXFGSA-N 1 1 319.426 3.424 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)Cc2cccc(N(C)C)c2)c(O)c1 ZINC000769538861 622539243 /nfs/dbraw/zinc/53/92/43/622539243.db2.gz YPCUGDRHJRJIGI-UHFFFAOYSA-N 1 1 314.429 3.489 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000769548143 622539499 /nfs/dbraw/zinc/53/94/99/622539499.db2.gz FZGUDFPRWFUSQI-CRAIPNDOSA-N 1 1 307.434 3.426 20 10 DGCDMO CN(C)c1ccc(CNC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000769678751 622548899 /nfs/dbraw/zinc/54/88/99/622548899.db2.gz MJYZYGQWGBBQBJ-UHFFFAOYSA-N 1 1 317.477 3.023 20 10 DGCDMO O=C(Nc1cc[nH+]c(N2CCCCC2)c1)C1=CC(=O)CS1 ZINC000888574402 622621003 /nfs/dbraw/zinc/62/10/03/622621003.db2.gz AFNKXSHVUNHFEV-UHFFFAOYSA-N 1 1 303.387 3.091 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(O)c1 ZINC000770319677 622621020 /nfs/dbraw/zinc/62/10/20/622621020.db2.gz AMDIVHWPQDWJTC-PBHICJAKSA-N 1 1 315.417 3.071 20 10 DGCDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000770505345 622640699 /nfs/dbraw/zinc/64/06/99/622640699.db2.gz QTRDILGUNDVUEJ-CQSZACIVSA-N 1 1 305.418 3.336 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCc3c(F)cccc3C2)c1O ZINC000123798922 622698973 /nfs/dbraw/zinc/69/89/73/622698973.db2.gz GHOOEEXFTSDSFM-UHFFFAOYSA-N 1 1 301.361 3.488 20 10 DGCDMO CCCOC(=O)[C@@H](C)[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000771790440 622796539 /nfs/dbraw/zinc/79/65/39/622796539.db2.gz CFVNAIBOSCOCLB-OAHLLOKOSA-N 1 1 306.450 3.305 20 10 DGCDMO CCCOC(=O)[C@@H](C)[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000771790440 622796541 /nfs/dbraw/zinc/79/65/41/622796541.db2.gz CFVNAIBOSCOCLB-OAHLLOKOSA-N 1 1 306.450 3.305 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCC(F)(F)C3)cc2)CC1 ZINC000771848935 622803421 /nfs/dbraw/zinc/80/34/21/622803421.db2.gz VLTKWUXTDOTDPC-MRXNPFEDSA-N 1 1 323.431 3.106 20 10 DGCDMO C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccc(F)cc1O ZINC000872110090 622812792 /nfs/dbraw/zinc/81/27/92/622812792.db2.gz CMHIUNHRNGDTND-ZETCQYMHSA-N 1 1 317.229 3.354 20 10 DGCDMO CN(C)CC[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000019363052 622849748 /nfs/dbraw/zinc/84/97/48/622849748.db2.gz GPHMDDJICSWVPT-UHFFFAOYSA-N 1 1 311.473 3.316 20 10 DGCDMO CN(C)CC[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000019363052 622849751 /nfs/dbraw/zinc/84/97/51/622849751.db2.gz GPHMDDJICSWVPT-UHFFFAOYSA-N 1 1 311.473 3.316 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872253702 622868106 /nfs/dbraw/zinc/86/81/06/622868106.db2.gz DVPSGKNWVYIACI-MJSXRHKHSA-N 1 1 310.388 3.122 20 10 DGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872254533 622868540 /nfs/dbraw/zinc/86/85/40/622868540.db2.gz HDASWCASLXRNRT-INIZCTEOSA-N 1 1 307.340 3.401 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H](C(F)F)CC2)c1O ZINC000872257492 622870168 /nfs/dbraw/zinc/87/01/68/622870168.db2.gz RWFGFTOCBAZYPF-LBPRGKRZSA-N 1 1 305.752 3.210 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1C[C@@H]3COC[C@@H]3C1)oc1ccccc12 ZINC000872784222 622978693 /nfs/dbraw/zinc/97/86/93/622978693.db2.gz JAYPNJFKXWJEAW-OKILXGFUSA-N 1 1 309.365 3.370 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCCCC[C@H]2C(=O)OC)cc1 ZINC000773834910 623076894 /nfs/dbraw/zinc/07/68/94/623076894.db2.gz VJROVEVRIJTQOH-KRWDZBQOSA-N 1 1 304.434 3.060 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)C2CCC(NC(C)=O)CC2)cc1 ZINC000773841709 623078285 /nfs/dbraw/zinc/07/82/85/623078285.db2.gz UCCGFTCBLSOKKW-UHFFFAOYSA-N 1 1 317.477 3.022 20 10 DGCDMO Nc1ccc2c(c1)OCC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000873220882 623078924 /nfs/dbraw/zinc/07/89/24/623078924.db2.gz ZQMVFEJYGLZMSR-UHFFFAOYSA-N 1 1 304.777 3.022 20 10 DGCDMO Nc1ccc2c(c1)OCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000873220882 623078929 /nfs/dbraw/zinc/07/89/29/623078929.db2.gz ZQMVFEJYGLZMSR-UHFFFAOYSA-N 1 1 304.777 3.022 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CC[S@@](=O)C(CC)(CC)C2)cc1 ZINC000773858506 623080325 /nfs/dbraw/zinc/08/03/25/623080325.db2.gz MMIPODFJAHEIBC-JOCHJYFZSA-N 1 1 322.518 3.266 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[S@@](=O)C(CC)(CC)C2)cc1 ZINC000773858506 623080330 /nfs/dbraw/zinc/08/03/30/623080330.db2.gz MMIPODFJAHEIBC-JOCHJYFZSA-N 1 1 322.518 3.266 20 10 DGCDMO CO[C@@]1(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)CCOC1 ZINC000774359426 623136472 /nfs/dbraw/zinc/13/64/72/623136472.db2.gz PLQGXMBIXLBHHL-LKFCYVNXSA-N 1 1 320.216 3.155 20 10 DGCDMO CCC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000774904086 623206581 /nfs/dbraw/zinc/20/65/81/623206581.db2.gz NUMVVQKWSAZSCW-LBPRGKRZSA-N 1 1 308.378 3.321 20 10 DGCDMO CCC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000774904086 623206584 /nfs/dbraw/zinc/20/65/84/623206584.db2.gz NUMVVQKWSAZSCW-LBPRGKRZSA-N 1 1 308.378 3.321 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774905799 623206981 /nfs/dbraw/zinc/20/69/81/623206981.db2.gz RVWQDDWSTQEEHM-RYUDHWBXSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774905799 623206983 /nfs/dbraw/zinc/20/69/83/623206983.db2.gz RVWQDDWSTQEEHM-RYUDHWBXSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCC3(C2)CCCCC3)ccc1[N+](=O)[O-] ZINC000774908561 623207751 /nfs/dbraw/zinc/20/77/51/623207751.db2.gz MAMRXASTVKLIDQ-UHFFFAOYSA-N 1 1 320.389 3.465 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCC3(C2)CCCCC3)ccc1[N+](=O)[O-] ZINC000774908561 623207754 /nfs/dbraw/zinc/20/77/54/623207754.db2.gz MAMRXASTVKLIDQ-UHFFFAOYSA-N 1 1 320.389 3.465 20 10 DGCDMO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774963998 623211759 /nfs/dbraw/zinc/21/17/59/623211759.db2.gz MOWITFDTXHGWTB-DGCLKSJQSA-N 1 1 308.378 3.367 20 10 DGCDMO COc1c(O)c(C[NH2+]C/C=C\c2ccccc2)ccc1[N+](=O)[O-] ZINC000775016791 623217038 /nfs/dbraw/zinc/21/70/38/623217038.db2.gz WRPZUUUOPDKJOG-YVMONPNESA-N 1 1 314.341 3.112 20 10 DGCDMO COc1c(O)c(C[NH2+]CC2(C)CCCCC2)ccc1[N+](=O)[O-] ZINC000775038573 623219040 /nfs/dbraw/zinc/21/90/40/623219040.db2.gz WKBHPXWXYCYYEA-UHFFFAOYSA-N 1 1 308.378 3.369 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000775056113 623221950 /nfs/dbraw/zinc/22/19/50/623221950.db2.gz VTWMANYEGBFTAV-UBHSHLNASA-N 1 1 320.389 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000775056113 623221953 /nfs/dbraw/zinc/22/19/53/623221953.db2.gz VTWMANYEGBFTAV-UBHSHLNASA-N 1 1 320.389 3.320 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000775059031 623223584 /nfs/dbraw/zinc/22/35/84/623223584.db2.gz HIUFGHFKWORFNK-GMXVVIOVSA-N 1 1 308.378 3.223 20 10 DGCDMO CN(C)c1ccc(CNc2cc[nH+]cc2Br)cc1F ZINC000775457721 623277045 /nfs/dbraw/zinc/27/70/45/623277045.db2.gz FVBMXUBPKVJEAG-UHFFFAOYSA-N 1 1 324.197 3.083 20 10 DGCDMO CC[N@H+](Cc1cccc(C)c1O)C[C@@H]1COc2ccccc2O1 ZINC000775642599 623300750 /nfs/dbraw/zinc/30/07/50/623300750.db2.gz MJPLFNJPYNMJCS-MRXNPFEDSA-N 1 1 313.397 3.363 20 10 DGCDMO CC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775638592 623300864 /nfs/dbraw/zinc/30/08/64/623300864.db2.gz LQZAGPVOCIVGMN-SFHVURJKSA-N 1 1 301.478 3.203 20 10 DGCDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775638592 623300867 /nfs/dbraw/zinc/30/08/67/623300867.db2.gz LQZAGPVOCIVGMN-SFHVURJKSA-N 1 1 301.478 3.203 20 10 DGCDMO CCc1nn(C)cc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000775649058 623303293 /nfs/dbraw/zinc/30/32/93/623303293.db2.gz KFTVRQLYJOQUGR-UHFFFAOYSA-N 1 1 312.461 3.213 20 10 DGCDMO Cc1cccc(CN2CC[NH+](CCc3cccs3)CC2)c1O ZINC000775651890 623304691 /nfs/dbraw/zinc/30/46/91/623304691.db2.gz RZVVSMURNLLHFO-UHFFFAOYSA-N 1 1 316.470 3.122 20 10 DGCDMO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775702751 623316156 /nfs/dbraw/zinc/31/61/56/623316156.db2.gz WLTHQWKBLWLTPL-IAGOWNOFSA-N 1 1 301.478 3.059 20 10 DGCDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775702751 623316160 /nfs/dbraw/zinc/31/61/60/623316160.db2.gz WLTHQWKBLWLTPL-IAGOWNOFSA-N 1 1 301.478 3.059 20 10 DGCDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC000775727067 623320067 /nfs/dbraw/zinc/32/00/67/623320067.db2.gz HCKLOQSKKCCYGQ-OAHLLOKOSA-N 1 1 305.418 3.397 20 10 DGCDMO CCOC(=O)C1([N@@H+](C)Cc2cccc(C)c2O)CCCCC1 ZINC000775724963 623320111 /nfs/dbraw/zinc/32/01/11/623320111.db2.gz PDWHTFXMRAWOHH-UHFFFAOYSA-N 1 1 305.418 3.398 20 10 DGCDMO 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 623404357 /nfs/dbraw/zinc/40/43/57/623404357.db2.gz FNUNESBEBHLWES-XUWVNRHRSA-N 1 1 317.477 3.191 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000777469907 623529153 /nfs/dbraw/zinc/52/91/53/623529153.db2.gz PHYQCCFWWSNBLX-QFBILLFUSA-N 1 1 303.494 3.305 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1C(C)C ZINC000790455281 625656002 /nfs/dbraw/zinc/65/60/02/625656002.db2.gz ZCPWKNNDXGQTMS-MRXNPFEDSA-N 1 1 316.445 3.021 20 10 DGCDMO CO[C@](C)(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000876531852 623635379 /nfs/dbraw/zinc/63/53/79/623635379.db2.gz RCAYMRIUNFIJIX-PKOBYXMFSA-N 1 1 319.445 3.188 20 10 DGCDMO CO[C@@](C)(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000876531851 623635724 /nfs/dbraw/zinc/63/57/24/623635724.db2.gz RCAYMRIUNFIJIX-MJGOQNOKSA-N 1 1 319.445 3.188 20 10 DGCDMO COCC[N@@H+](Cc1cccs1)Cc1ccc(F)c(F)c1[O-] ZINC000876547236 623639680 /nfs/dbraw/zinc/63/96/80/623639680.db2.gz LWFLWEVURQASLQ-UHFFFAOYSA-N 1 1 313.369 3.381 20 10 DGCDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876579485 623650483 /nfs/dbraw/zinc/65/04/83/623650483.db2.gz SUOXROOQEPRDTA-LJQANCHMSA-N 1 1 302.462 3.268 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](C[C@](C)(OC)C3CC3)CC2)cc1 ZINC000876630798 623665062 /nfs/dbraw/zinc/66/50/62/623665062.db2.gz KZAJLNKDYVFNMA-IBGZPJMESA-N 1 1 318.461 3.022 20 10 DGCDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876657803 623672254 /nfs/dbraw/zinc/67/22/54/623672254.db2.gz RRKYMOUGSWJMOR-JKSUJKDBSA-N 1 1 302.462 3.268 20 10 DGCDMO CC(=O)N1CC[N@@H+](Cc2c(C)cccc2O)CC12CCCCC2 ZINC000876804134 623709847 /nfs/dbraw/zinc/70/98/47/623709847.db2.gz MAAWSGUMSIJIEZ-UHFFFAOYSA-N 1 1 316.445 3.068 20 10 DGCDMO Cc1ccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c(O)c1 ZINC000876814278 623714764 /nfs/dbraw/zinc/71/47/64/623714764.db2.gz KSVFPXXPGONGJS-UHFFFAOYSA-N 1 1 313.323 3.085 20 10 DGCDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000779019759 623722080 /nfs/dbraw/zinc/72/20/80/623722080.db2.gz HXXOIUGNGBPSKW-SFHVURJKSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000779019759 623722082 /nfs/dbraw/zinc/72/20/82/623722082.db2.gz HXXOIUGNGBPSKW-SFHVURJKSA-N 1 1 301.361 3.413 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1F ZINC000779165245 623737380 /nfs/dbraw/zinc/73/73/80/623737380.db2.gz FOBZKQQIVCBDJM-QGZVFWFLSA-N 1 1 308.441 3.407 20 10 DGCDMO CN(C)c1ccc(CNc2cc[nH+]c(N3CCCCC3)n2)cc1 ZINC000779427582 623768757 /nfs/dbraw/zinc/76/87/57/623768757.db2.gz CXGROTYCEJGQFG-UHFFFAOYSA-N 1 1 311.433 3.145 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CC=CCC1 ZINC000877307504 623846282 /nfs/dbraw/zinc/84/62/82/623846282.db2.gz IAAZWIWLNAUDBQ-QGZVFWFLSA-N 1 1 314.473 3.436 20 10 DGCDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877413922 623874714 /nfs/dbraw/zinc/87/47/14/623874714.db2.gz UANNOJGDJOUDET-BEFAXECRSA-N 1 1 302.462 3.268 20 10 DGCDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877413923 623874779 /nfs/dbraw/zinc/87/47/79/623874779.db2.gz UANNOJGDJOUDET-DNVCBOLYSA-N 1 1 302.462 3.268 20 10 DGCDMO Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c(O)c1 ZINC000877493247 623910040 /nfs/dbraw/zinc/91/00/40/623910040.db2.gz BGHSUXBPGLNEEN-QGZVFWFLSA-N 1 1 324.424 3.186 20 10 DGCDMO CCCC[N@@H+](Cc1cnc2c(cnn2C)c1)Cc1ccccc1O ZINC000877503172 623915330 /nfs/dbraw/zinc/91/53/30/623915330.db2.gz DKWOQBUMRJNARN-UHFFFAOYSA-N 1 1 324.428 3.476 20 10 DGCDMO CCCn1ccnc1CCC[N@@H+](C)Cc1c(C)cccc1O ZINC000877529331 623926248 /nfs/dbraw/zinc/92/62/48/623926248.db2.gz ZRSDFKMFWXJSIL-UHFFFAOYSA-N 1 1 301.434 3.372 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000877571437 623947190 /nfs/dbraw/zinc/94/71/90/623947190.db2.gz ZCCIQHUTBOJQEQ-QGZVFWFLSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000877571437 623947197 /nfs/dbraw/zinc/94/71/97/623947197.db2.gz ZCCIQHUTBOJQEQ-QGZVFWFLSA-N 1 1 301.361 3.413 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@H](OCc3ccccn3)C2)c1O ZINC000877645136 623976935 /nfs/dbraw/zinc/97/69/35/623976935.db2.gz BMJYBGZFCOGVNI-SFHVURJKSA-N 1 1 312.413 3.141 20 10 DGCDMO CC(=O)Nc1cccc2c1C[N@@H+](Cc1ccc(C)cc1O)CC2 ZINC000877680542 623989325 /nfs/dbraw/zinc/98/93/25/623989325.db2.gz ZRLPQUJSTIZTPD-UHFFFAOYSA-N 1 1 310.397 3.217 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)cc1F ZINC000780892553 623994551 /nfs/dbraw/zinc/99/45/51/623994551.db2.gz LIIIWFFRTVURPZ-GOEBONIOSA-N 1 1 308.441 3.265 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000877820069 624051867 /nfs/dbraw/zinc/05/18/67/624051867.db2.gz GDZWTSBHARCXTN-FZMZJTMJSA-N 1 1 303.324 3.242 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000782291418 624233742 /nfs/dbraw/zinc/23/37/42/624233742.db2.gz SMIRCUJRFMDFNA-INIZCTEOSA-N 1 1 319.408 3.400 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCc3ncsc3C2)c1 ZINC000783546492 624363941 /nfs/dbraw/zinc/36/39/41/624363941.db2.gz KMSSCPPZUBMLTC-UHFFFAOYSA-N 1 1 318.442 3.410 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCc3ncsc3C2)c1 ZINC000783546492 624363942 /nfs/dbraw/zinc/36/39/42/624363942.db2.gz KMSSCPPZUBMLTC-UHFFFAOYSA-N 1 1 318.442 3.410 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000783735863 624389606 /nfs/dbraw/zinc/38/96/06/624389606.db2.gz UBXXJIGRWLIDDQ-PKOBYXMFSA-N 1 1 302.462 3.127 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnn(C)c2C)cc1F ZINC000790938916 625718959 /nfs/dbraw/zinc/71/89/59/625718959.db2.gz PAWWKANFMQZVMF-UHFFFAOYSA-N 1 1 318.440 3.346 20 10 DGCDMO CCOc1ccc(CNc2[nH]c3ccc(F)cc3[nH+]2)c(O)c1 ZINC000784324078 624498599 /nfs/dbraw/zinc/49/85/99/624498599.db2.gz OTOYTBRMTKJMLM-UHFFFAOYSA-N 1 1 301.321 3.418 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@]2(C)CCO[C@H]2C)c1 ZINC000784640119 624564173 /nfs/dbraw/zinc/56/41/73/624564173.db2.gz LKCZJGMDCLCPGF-HZMBPMFUSA-N 1 1 314.223 3.120 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1O ZINC000787288726 624997339 /nfs/dbraw/zinc/99/73/39/624997339.db2.gz BKIMKDJDMBQHLI-OAHLLOKOSA-N 1 1 316.376 3.278 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc(OCC)cc1O)C1CC1 ZINC000787441733 625010853 /nfs/dbraw/zinc/01/08/53/625010853.db2.gz YXJHDKYPNYMIEL-MRXNPFEDSA-N 1 1 321.417 3.097 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc(OCC)cc1O)C1CC1 ZINC000787441733 625010856 /nfs/dbraw/zinc/01/08/56/625010856.db2.gz YXJHDKYPNYMIEL-MRXNPFEDSA-N 1 1 321.417 3.097 20 10 DGCDMO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)c1ccnn1C ZINC000788260118 625108378 /nfs/dbraw/zinc/10/83/78/625108378.db2.gz TXPRAEMNUFDNDA-WFASDCNBSA-N 1 1 305.397 3.355 20 10 DGCDMO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788669814 625238681 /nfs/dbraw/zinc/23/86/81/625238681.db2.gz PNFWOCYEXBHTPZ-QDXVKYEASA-N 1 1 323.380 3.219 20 10 DGCDMO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cccc(C(F)(F)F)c1O ZINC000788763484 625260874 /nfs/dbraw/zinc/26/08/74/625260874.db2.gz IZICROYZVQVTHX-AXTRIDKLSA-N 1 1 303.324 3.221 20 10 DGCDMO C[C@](CO)([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000790966659 625724979 /nfs/dbraw/zinc/72/49/79/625724979.db2.gz YHKVDQREQANTDP-MRXNPFEDSA-N 1 1 309.768 3.182 20 10 DGCDMO CC(C)CC[C@](C)(O)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790971106 625725740 /nfs/dbraw/zinc/72/57/40/625725740.db2.gz OTOUMMCNAOSXDX-HNNXBMFYSA-N 1 1 303.805 3.462 20 10 DGCDMO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790972845 625726719 /nfs/dbraw/zinc/72/67/19/625726719.db2.gz KKSBVNMVBBFBBP-UHFFFAOYSA-N 1 1 324.739 3.425 20 10 DGCDMO C[C@]1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCO[C@H]1C1CC1 ZINC000790990924 625731841 /nfs/dbraw/zinc/73/18/41/625731841.db2.gz NIYHYKLIBAZOLH-JKSUJKDBSA-N 1 1 313.800 3.480 20 10 DGCDMO Cc1ccc(C[C@H](CO)[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000790990802 625732455 /nfs/dbraw/zinc/73/24/55/625732455.db2.gz FWVVSCUSKCSINS-CYBMUJFWSA-N 1 1 323.795 3.186 20 10 DGCDMO CC[C@]1([NH2+]Cc2cc(C)cc(Br)c2O)CCOC1 ZINC000791005713 625736345 /nfs/dbraw/zinc/73/63/45/625736345.db2.gz XGMDGHRXNTWKJM-AWEZNQCLSA-N 1 1 314.223 3.122 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc2c(c1)OCCO2 ZINC000882880569 625842088 /nfs/dbraw/zinc/84/20/88/625842088.db2.gz YPWDZNMJYKAKLD-JTQLQIEISA-N 1 1 321.323 3.292 20 10 DGCDMO Oc1ccc(Cl)c(F)c1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000792167730 625918794 /nfs/dbraw/zinc/91/87/94/625918794.db2.gz OQYZMSLSHOOGQU-LBPRGKRZSA-N 1 1 312.816 3.245 20 10 DGCDMO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000883112166 625930723 /nfs/dbraw/zinc/93/07/23/625930723.db2.gz BOADKUXNGPYVEA-MRXNPFEDSA-N 1 1 307.340 3.110 20 10 DGCDMO COc1ccccc1C1([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883152311 625944428 /nfs/dbraw/zinc/94/44/28/625944428.db2.gz RAQWGUWEKCRHOP-UHFFFAOYSA-N 1 1 305.324 3.458 20 10 DGCDMO CCC[C@@]1([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)CCOC1 ZINC000796440564 626049861 /nfs/dbraw/zinc/04/98/61/626049861.db2.gz IHGJDKSYGMEKDR-MRXNPFEDSA-N 1 1 311.809 3.297 20 10 DGCDMO CCC[N@@H+]1CCC[C@H]1CNCc1ccc(OC)c(COCC)c1 ZINC000796523285 626058859 /nfs/dbraw/zinc/05/88/59/626058859.db2.gz XVWNGXQSMAHNLK-SFHVURJKSA-N 1 1 320.477 3.196 20 10 DGCDMO CCC[N@H+]1CCC[C@H]1CNCc1ccc(OC)c(COCC)c1 ZINC000796523285 626058861 /nfs/dbraw/zinc/05/88/61/626058861.db2.gz XVWNGXQSMAHNLK-SFHVURJKSA-N 1 1 320.477 3.196 20 10 DGCDMO CC[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(F)cc1O ZINC000796706981 626075057 /nfs/dbraw/zinc/07/50/57/626075057.db2.gz BXHGVFIKIKQJFX-CYBMUJFWSA-N 1 1 305.378 3.481 20 10 DGCDMO CC[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(F)cc1O ZINC000796846018 626089305 /nfs/dbraw/zinc/08/93/05/626089305.db2.gz DRIOQPBXBZHOOI-INIZCTEOSA-N 1 1 315.392 3.482 20 10 DGCDMO CC[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(F)cc1O ZINC000796944327 626098304 /nfs/dbraw/zinc/09/83/04/626098304.db2.gz WBKFHZDJHQHSRO-AWEZNQCLSA-N 1 1 321.421 3.117 20 10 DGCDMO CC[C@H]([NH2+][C@@H](CO)Cc1ccc(C)cc1)c1ccc(F)cc1O ZINC000796959523 626099788 /nfs/dbraw/zinc/09/97/88/626099788.db2.gz RADZUEXAQMRSDG-AEFFLSMTSA-N 1 1 317.404 3.484 20 10 DGCDMO CC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1C)c1ccc(F)cc1O ZINC000796959208 626099936 /nfs/dbraw/zinc/09/99/36/626099936.db2.gz LVPHIPBKPZRZGX-SJLPKXTDSA-N 1 1 317.404 3.484 20 10 DGCDMO CC[C@H]([NH2+][C@@H](CO)Cc1cccc(C)c1)c1ccc(F)cc1O ZINC000796959505 626100072 /nfs/dbraw/zinc/10/00/72/626100072.db2.gz QPXCLMKEDKORHZ-AEFFLSMTSA-N 1 1 317.404 3.484 20 10 DGCDMO COc1ccc(O)c(CNC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000798088124 626193272 /nfs/dbraw/zinc/19/32/72/626193272.db2.gz HXHKDMZQJLTOJH-QGZVFWFLSA-N 1 1 318.461 3.288 20 10 DGCDMO COc1ccc(O)c(CNC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000798088124 626193274 /nfs/dbraw/zinc/19/32/74/626193274.db2.gz HXHKDMZQJLTOJH-QGZVFWFLSA-N 1 1 318.461 3.288 20 10 DGCDMO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000799149777 626275227 /nfs/dbraw/zinc/27/52/27/626275227.db2.gz SEKSDMYIXIXKKN-SFHVURJKSA-N 1 1 322.412 3.401 20 10 DGCDMO CC(C)c1ncc(C[N@@H+](C)Cc2cc3c(cc2O)CCC3)cn1 ZINC000799580584 626311132 /nfs/dbraw/zinc/31/11/32/626311132.db2.gz YZVMHQRJYLKNQE-UHFFFAOYSA-N 1 1 311.429 3.426 20 10 DGCDMO C[C@@H]1C[C@H]([NH2+]Cc2ncnn2C(C)(C)C)c2c1c(F)ccc2O ZINC000800500072 626364782 /nfs/dbraw/zinc/36/47/82/626364782.db2.gz PPHKPLPTQWVXOE-PWSUYJOCSA-N 1 1 318.396 3.216 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@](F)(c3ccccc3)C1)OCO2 ZINC000800858536 626379593 /nfs/dbraw/zinc/37/95/93/626379593.db2.gz AEUZFZLOFRKUBJ-GOSISDBHSA-N 1 1 315.344 3.192 20 10 DGCDMO CCCCNC(=O)[C@@H](C)[N@@H+](CCCC)Cc1ccccc1O ZINC000801598515 626411561 /nfs/dbraw/zinc/41/15/61/626411561.db2.gz BGHBDEWWZKBWGI-OAHLLOKOSA-N 1 1 306.450 3.299 20 10 DGCDMO CC(=O)c1cc(Cl)cc(CN2CC[C@H](OC(F)F)C2)c1[O-] ZINC000801989699 626428757 /nfs/dbraw/zinc/42/87/57/626428757.db2.gz ZYRRHEFNKNLLMV-NSHDSACASA-N 1 1 319.735 3.062 20 10 DGCDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2O)C1 ZINC000802654632 626565488 /nfs/dbraw/zinc/56/54/88/626565488.db2.gz LINYREBCODODSX-SFHVURJKSA-N 1 1 320.433 3.129 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccccc1 ZINC000883288802 626637447 /nfs/dbraw/zinc/63/74/47/626637447.db2.gz RSYKCLUKUXURNA-KRWDZBQOSA-N 1 1 309.457 3.289 20 10 DGCDMO CCOC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000132467211 626720127 /nfs/dbraw/zinc/72/01/27/626720127.db2.gz ZTLYLQMZZTURIW-UHFFFAOYSA-N 1 1 314.223 3.156 20 10 DGCDMO C[N@H+](Cc1cc(Br)ccc1O)C[C@H]1CCCCO1 ZINC000132605277 626729118 /nfs/dbraw/zinc/72/91/18/626729118.db2.gz IVLUUTUILUDKHG-CYBMUJFWSA-N 1 1 314.223 3.156 20 10 DGCDMO CC[C@@H]1CN(C)CC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000840094532 626756643 /nfs/dbraw/zinc/75/66/43/626756643.db2.gz VAYIAHSIDLQLRG-OAHLLOKOSA-N 1 1 314.429 3.080 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1C[C@]3(CCCO3)[C@H]1C1CC1)CCCC2 ZINC000840100476 626760142 /nfs/dbraw/zinc/76/01/42/626760142.db2.gz YSUJLUOIPGPDFD-WOJBJXKFSA-N 1 1 313.441 3.414 20 10 DGCDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(O)cc1C ZINC000840113465 626767338 /nfs/dbraw/zinc/76/73/38/626767338.db2.gz BKCWSNAANRMTDV-BRWVUGGUSA-N 1 1 319.445 3.225 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)CCC2 ZINC000840118732 626770620 /nfs/dbraw/zinc/77/06/20/626770620.db2.gz ZSHYCFPTTYLNJP-QRVBRYPASA-N 1 1 315.457 3.396 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)CC1(C)C ZINC000840123056 626776242 /nfs/dbraw/zinc/77/62/42/626776242.db2.gz GKSZTGLFMPOUCF-KRWDZBQOSA-N 1 1 300.402 3.187 20 10 DGCDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@@H](O)c1ccccc1 ZINC000808444723 626825753 /nfs/dbraw/zinc/82/57/53/626825753.db2.gz JUOSUVGWJJIVJB-MGPLVRAMSA-N 1 1 309.768 3.396 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@]3(CCOC3)C1)CCCC2 ZINC000840141206 626837965 /nfs/dbraw/zinc/83/79/65/626837965.db2.gz BVKYORXITNFWPZ-IBGZPJMESA-N 1 1 301.430 3.274 20 10 DGCDMO O[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809538882 626917813 /nfs/dbraw/zinc/91/78/13/626917813.db2.gz UWPGBYFXAIZRMY-HXUWFJFHSA-N 1 1 322.452 3.206 20 10 DGCDMO C[C@H](CO)[N@@H+](Cc1c(O)ccc(Cl)c1F)CC1CCC1 ZINC000809665589 626934749 /nfs/dbraw/zinc/93/47/49/626934749.db2.gz WRVGKTLCKDQLMO-SNVBAGLBSA-N 1 1 301.789 3.168 20 10 DGCDMO C[C@H](CO)[N@H+](Cc1c(O)ccc(Cl)c1F)CC1CCC1 ZINC000809665589 626934750 /nfs/dbraw/zinc/93/47/50/626934750.db2.gz WRVGKTLCKDQLMO-SNVBAGLBSA-N 1 1 301.789 3.168 20 10 DGCDMO OC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@H]1C(F)(F)F ZINC000809697886 626937747 /nfs/dbraw/zinc/93/77/47/626937747.db2.gz QYTDQXLUGSSBAT-ZYHUDNBSSA-N 1 1 323.742 3.038 20 10 DGCDMO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4c(O)ccc(Cl)c4F)[C@H]1[C@H]3C2 ZINC000809696981 626938080 /nfs/dbraw/zinc/93/80/80/626938080.db2.gz BDTDPWLFGRLDII-YVYBEKNCSA-N 1 1 311.784 3.040 20 10 DGCDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4c(O)ccc(Cl)c4F)[C@H]1[C@H]3C2 ZINC000809696981 626938082 /nfs/dbraw/zinc/93/80/82/626938082.db2.gz BDTDPWLFGRLDII-YVYBEKNCSA-N 1 1 311.784 3.040 20 10 DGCDMO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c(O)ccc(Cl)c1F ZINC000809724115 626942066 /nfs/dbraw/zinc/94/20/66/626942066.db2.gz DYZXHTPPQUKPCV-RISCZKNCSA-N 1 1 312.816 3.243 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000809771731 626950300 /nfs/dbraw/zinc/95/03/00/626950300.db2.gz NTVNBNIVGFKEAV-ZFWWWQNUSA-N 1 1 320.433 3.188 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccccc2N(C)C)c1 ZINC000809787376 626953289 /nfs/dbraw/zinc/95/32/89/626953289.db2.gz APQFNMNBJCQPIW-UHFFFAOYSA-N 1 1 314.429 3.489 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1 ZINC000810051606 626972866 /nfs/dbraw/zinc/97/28/66/626972866.db2.gz MCHTZLGWWJPNJA-HXUWFJFHSA-N 1 1 321.468 3.390 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ccc(OC)nc1OC)c1ccc(F)cc1O ZINC000810260526 626994712 /nfs/dbraw/zinc/99/47/12/626994712.db2.gz LGIFSROCSYMRIP-CQSZACIVSA-N 1 1 320.364 3.184 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000886314430 627135900 /nfs/dbraw/zinc/13/59/00/627135900.db2.gz XXYLVQBQJZANLO-GFCCVEGCSA-N 1 1 314.223 3.122 20 10 DGCDMO C[C@]1(C[NH2+]Cc2cc(F)cc(F)c2O)CCOC2(CCC2)C1 ZINC000886341497 627140537 /nfs/dbraw/zinc/14/05/37/627140537.db2.gz WBCZTJGWWWQACE-INIZCTEOSA-N 1 1 311.372 3.499 20 10 DGCDMO COC1CCN(C(C)(C)C[NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886524823 627156478 /nfs/dbraw/zinc/15/64/78/627156478.db2.gz RRTUDXZELARYOO-CYBMUJFWSA-N 1 1 324.440 3.071 20 10 DGCDMO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886522433 627156591 /nfs/dbraw/zinc/15/65/91/627156591.db2.gz JCTWCCISTTXHSY-LBPRGKRZSA-N 1 1 316.376 3.383 20 10 DGCDMO C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886556939 627163006 /nfs/dbraw/zinc/16/30/06/627163006.db2.gz NOHHCYSUANTGTP-PIGZYNQJSA-N 1 1 307.340 3.229 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1c(O)cccc1F ZINC000886620656 627175048 /nfs/dbraw/zinc/17/50/48/627175048.db2.gz PKNPLCZCSSEJRI-PBFPGSCMSA-N 1 1 316.376 3.497 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1c([O-])cccc1F ZINC000886639840 627178531 /nfs/dbraw/zinc/17/85/31/627178531.db2.gz MRBKWGMSHOAFDY-HIFRSBDPSA-N 1 1 306.425 3.304 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1c(O)cccc1F ZINC000886648200 627180018 /nfs/dbraw/zinc/18/00/18/627180018.db2.gz NPLDNLOBUDAZLN-LRDDRELGSA-N 1 1 300.377 3.369 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1c(O)cccc1F ZINC000886649563 627180619 /nfs/dbraw/zinc/18/06/19/627180619.db2.gz DGLLMXJUWKJAGF-ZIAGYGMSSA-N 1 1 323.408 3.158 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H](O)Cc1ccccc1F)c1ccc(F)cc1O ZINC000886674510 627186828 /nfs/dbraw/zinc/18/68/28/627186828.db2.gz MVCHDPFMDOFUMG-RHSMWYFYSA-N 1 1 321.367 3.315 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccc(F)cc1O ZINC000886767048 627202516 /nfs/dbraw/zinc/20/25/16/627202516.db2.gz YMIKYUOEKFHRAK-BSXOQXRQSA-N 1 1 323.408 3.299 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1O ZINC000886830806 627209675 /nfs/dbraw/zinc/20/96/75/627209675.db2.gz XOJKWCDKRHFEBB-LRDDRELGSA-N 1 1 323.820 3.249 20 10 DGCDMO COc1ccc(O)c(CN2C[C@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC000811508491 627283489 /nfs/dbraw/zinc/28/34/89/627283489.db2.gz SEQICDXBZGRDAN-QGZVFWFLSA-N 1 1 324.424 3.385 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC000811512128 627285235 /nfs/dbraw/zinc/28/52/35/627285235.db2.gz DQEWURZJJPLOBU-CQSZACIVSA-N 1 1 310.388 3.000 20 10 DGCDMO COc1c(O)c(C[NH+]2CCC(C)(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000811515305 627286394 /nfs/dbraw/zinc/28/63/94/627286394.db2.gz XTWQCXJDDICZBS-UHFFFAOYSA-N 1 1 320.389 3.321 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(O)c1 ZINC000811521050 627286942 /nfs/dbraw/zinc/28/69/42/627286942.db2.gz XVUCZSFUEDXTAP-AWEZNQCLSA-N 1 1 321.808 3.088 20 10 DGCDMO CO[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)[C@@H](C)C1 ZINC000302276893 627317175 /nfs/dbraw/zinc/31/71/75/627317175.db2.gz BJDPUBUFIHERKU-CMPLNLGQSA-N 1 1 314.223 3.154 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)[C@@H](C)C1 ZINC000302276893 627317179 /nfs/dbraw/zinc/31/71/79/627317179.db2.gz BJDPUBUFIHERKU-CMPLNLGQSA-N 1 1 314.223 3.154 20 10 DGCDMO COc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(O)cc1C ZINC000811777273 627320888 /nfs/dbraw/zinc/32/08/88/627320888.db2.gz IGVCSWNYWUGYPI-RDJZCZTQSA-N 1 1 305.418 3.099 20 10 DGCDMO COc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(O)cc1C ZINC000811792389 627322471 /nfs/dbraw/zinc/32/24/71/627322471.db2.gz OHTLQGPXFNAZAP-FUHWJXTLSA-N 1 1 317.429 3.243 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1[C@H]1CCCO1)CCC2 ZINC000811791952 627322860 /nfs/dbraw/zinc/32/28/60/627322860.db2.gz KOKILQUODSREPC-MOPGFXCFSA-N 1 1 313.441 3.414 20 10 DGCDMO Oc1ccc2c(c1CNc1nc(N3CCCC3)cc[nH+]1)CCCC2 ZINC000811808672 627323659 /nfs/dbraw/zinc/32/36/59/627323659.db2.gz NXTRMBQGDTWOOA-UHFFFAOYSA-N 1 1 324.428 3.273 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000814171267 627545952 /nfs/dbraw/zinc/54/59/52/627545952.db2.gz MWGGAGYSYZXMRU-INIZCTEOSA-N 1 1 320.389 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC3(CCC3)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000814171267 627545954 /nfs/dbraw/zinc/54/59/54/627545954.db2.gz MWGGAGYSYZXMRU-INIZCTEOSA-N 1 1 320.389 3.320 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1F ZINC000814178140 627547494 /nfs/dbraw/zinc/54/74/94/627547494.db2.gz DFXSKQGDHWEHEQ-LJQANCHMSA-N 1 1 319.468 3.200 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@H](c3ccncn3)C2)ccc1N(C)C ZINC000815020074 627617088 /nfs/dbraw/zinc/61/70/88/627617088.db2.gz YJUSBAHWBKTKTM-KRWDZBQOSA-N 1 1 310.445 3.231 20 10 DGCDMO Cc1cc(C[N@@H+](CCO)CCc2ccccc2)ccc1N(C)C ZINC000815047072 627618868 /nfs/dbraw/zinc/61/88/68/627618868.db2.gz DMIWTAVEYKBCJB-UHFFFAOYSA-N 1 1 312.457 3.098 20 10 DGCDMO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815054716 627619943 /nfs/dbraw/zinc/61/99/43/627619943.db2.gz KXBDHFSLDUXVSK-SFHVURJKSA-N 1 1 303.494 3.225 20 10 DGCDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000815057649 627620108 /nfs/dbraw/zinc/62/01/08/627620108.db2.gz WHZDQAACGPYWBQ-WMZOPIPTSA-N 1 1 303.494 3.366 20 10 DGCDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000815057649 627620112 /nfs/dbraw/zinc/62/01/12/627620112.db2.gz WHZDQAACGPYWBQ-WMZOPIPTSA-N 1 1 303.494 3.366 20 10 DGCDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815061324 627621308 /nfs/dbraw/zinc/62/13/08/627621308.db2.gz QMDSAKXAJYSKIM-IBGZPJMESA-N 1 1 312.461 3.440 20 10 DGCDMO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1cccc(C(F)(F)F)c1O ZINC000815579181 627686980 /nfs/dbraw/zinc/68/69/80/627686980.db2.gz HCSCNZDWIYHQAK-HZMBPMFUSA-N 1 1 303.324 3.488 20 10 DGCDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000924861528 627688428 /nfs/dbraw/zinc/68/84/28/627688428.db2.gz KLAZQHVISISKHG-AWEZNQCLSA-N 1 1 303.381 3.355 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cn2c(n1)CCCC2 ZINC000924863466 627688632 /nfs/dbraw/zinc/68/86/32/627688632.db2.gz YATSZWRFRFWPFK-ZDUSSCGKSA-N 1 1 316.424 3.275 20 10 DGCDMO COCC1(CC[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CCC1 ZINC000815642090 627694114 /nfs/dbraw/zinc/69/41/14/627694114.db2.gz RJUDMKQRZMPFLU-CYBMUJFWSA-N 1 1 321.417 3.036 20 10 DGCDMO CCOC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CCCC1 ZINC000815644825 627694309 /nfs/dbraw/zinc/69/43/09/627694309.db2.gz NBFQFPFNBGDIST-CYBMUJFWSA-N 1 1 321.417 3.179 20 10 DGCDMO CC1(C)[C@@H](NCc2ccc(N3CCCC3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925543641 627751119 /nfs/dbraw/zinc/75/11/19/627751119.db2.gz NIZYANAQFZRDRI-QYZOEREBSA-N 1 1 313.489 3.153 20 10 DGCDMO CC[NH+](CC)[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816483785 627796015 /nfs/dbraw/zinc/79/60/15/627796015.db2.gz DVJPXBRCQIVBPV-LBPRGKRZSA-N 1 1 300.805 3.101 20 10 DGCDMO CCOC(=O)CC[N@@H+](Cc1ccc2ccccc2c1O)C1CC1 ZINC000816496886 627796868 /nfs/dbraw/zinc/79/68/68/627796868.db2.gz BPLWJSNWHYJNAE-UHFFFAOYSA-N 1 1 313.397 3.463 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000816501756 627797590 /nfs/dbraw/zinc/79/75/90/627797590.db2.gz AAHLOPYOIDSXCR-GFCCVEGCSA-N 1 1 309.772 3.218 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000816501756 627797592 /nfs/dbraw/zinc/79/75/92/627797592.db2.gz AAHLOPYOIDSXCR-GFCCVEGCSA-N 1 1 309.772 3.218 20 10 DGCDMO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816516933 627800193 /nfs/dbraw/zinc/80/01/93/627800193.db2.gz XKXMDUBAXGZVIW-ZDUSSCGKSA-N 1 1 301.386 3.317 20 10 DGCDMO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816516933 627800196 /nfs/dbraw/zinc/80/01/96/627800196.db2.gz XKXMDUBAXGZVIW-ZDUSSCGKSA-N 1 1 301.386 3.317 20 10 DGCDMO C[C@H]1CCCN(CC[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816535287 627803069 /nfs/dbraw/zinc/80/30/69/627803069.db2.gz LFAPKPUABAOOMK-NSHDSACASA-N 1 1 300.805 3.006 20 10 DGCDMO CCn1nc(C)c(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1C ZINC000816546015 627805053 /nfs/dbraw/zinc/80/50/53/627805053.db2.gz RPWZEVMBROUEIS-UHFFFAOYSA-N 1 1 311.788 3.308 20 10 DGCDMO COc1ccc(O)c(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816550454 627806047 /nfs/dbraw/zinc/80/60/47/627806047.db2.gz RMZSHDGBSSLSOO-UHFFFAOYSA-N 1 1 311.740 3.189 20 10 DGCDMO Cc1ccccc1[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816555911 627807299 /nfs/dbraw/zinc/80/72/99/627807299.db2.gz UANMBPZRSRJQBU-OAHLLOKOSA-N 1 1 309.768 3.316 20 10 DGCDMO COC(=O)C1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCCC1 ZINC000816567523 627808979 /nfs/dbraw/zinc/80/89/79/627808979.db2.gz DBVFNBSDJGNTFW-UHFFFAOYSA-N 1 1 315.772 3.008 20 10 DGCDMO C[C@@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCO[C@@H]1C1CC1 ZINC000816570772 627809997 /nfs/dbraw/zinc/80/99/97/627809997.db2.gz HDYWWVKFYIQLJU-CVEARBPZSA-N 1 1 313.800 3.480 20 10 DGCDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816587768 627811380 /nfs/dbraw/zinc/81/13/80/627811380.db2.gz VXGKGHUKQBSKSJ-BFVZDQMLSA-N 1 1 301.789 3.166 20 10 DGCDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816587768 627811382 /nfs/dbraw/zinc/81/13/82/627811382.db2.gz VXGKGHUKQBSKSJ-BFVZDQMLSA-N 1 1 301.789 3.166 20 10 DGCDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816587768 627811383 /nfs/dbraw/zinc/81/13/83/627811383.db2.gz VXGKGHUKQBSKSJ-BFVZDQMLSA-N 1 1 301.789 3.166 20 10 DGCDMO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(Cl)c(F)cc4O)[C@H]1[C@H]3C2 ZINC000816608397 627814078 /nfs/dbraw/zinc/81/40/78/627814078.db2.gz YNLJMRAVXWAFQH-KIOOUHFPSA-N 1 1 311.784 3.040 20 10 DGCDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc(Cl)c(F)cc4O)[C@H]1[C@H]3C2 ZINC000816608397 627814084 /nfs/dbraw/zinc/81/40/84/627814084.db2.gz YNLJMRAVXWAFQH-KIOOUHFPSA-N 1 1 311.784 3.040 20 10 DGCDMO CC(C)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1(CO)CCC1 ZINC000816616893 627815656 /nfs/dbraw/zinc/81/56/56/627815656.db2.gz IUNUZRUEAAJYBI-OAHLLOKOSA-N 1 1 315.816 3.462 20 10 DGCDMO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816641099 627817906 /nfs/dbraw/zinc/81/79/06/627817906.db2.gz IMZMWEXOQLPSCM-OAHLLOKOSA-N 1 1 301.789 3.216 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000816657427 627821782 /nfs/dbraw/zinc/82/17/82/627821782.db2.gz RRXUDKDGQXXNMU-MRXNPFEDSA-N 1 1 307.821 3.437 20 10 DGCDMO CC(C)[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CCCO1 ZINC000816676281 627823236 /nfs/dbraw/zinc/82/32/36/627823236.db2.gz WWAQJFXMYMIRLS-OAHLLOKOSA-N 1 1 301.789 3.432 20 10 DGCDMO CC(C)[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CCCO1 ZINC000816676281 627823239 /nfs/dbraw/zinc/82/32/39/627823239.db2.gz WWAQJFXMYMIRLS-OAHLLOKOSA-N 1 1 301.789 3.432 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)c1O ZINC000817373148 627890942 /nfs/dbraw/zinc/89/09/42/627890942.db2.gz BOIGLOABARLVSK-UHFFFAOYSA-N 1 1 307.434 3.487 20 10 DGCDMO Cc1ccc2c(c1)CC[C@H]2NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938559 627966528 /nfs/dbraw/zinc/96/65/28/627966528.db2.gz MZMAICANSUOCOG-WOJBJXKFSA-N 1 1 309.457 3.338 20 10 DGCDMO COc1ccccc1[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817937983 627966858 /nfs/dbraw/zinc/96/68/58/627966858.db2.gz AWYGRBUSDANTDC-KBXCAEBGSA-N 1 1 313.445 3.112 20 10 DGCDMO Cc1ccc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)n1 ZINC000817941137 627968876 /nfs/dbraw/zinc/96/88/76/627968876.db2.gz JDWNRLQWZKQWGG-AUUYWEPGSA-N 1 1 312.461 3.115 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)nc1 ZINC000817944302 627969638 /nfs/dbraw/zinc/96/96/38/627969638.db2.gz ZASUBBGCJZSUED-WBMJQRKESA-N 1 1 318.852 3.152 20 10 DGCDMO C[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817945614 627970990 /nfs/dbraw/zinc/97/09/90/627970990.db2.gz HVFSSQNUBLUIQB-HOTGVXAUSA-N 1 1 319.468 3.466 20 10 DGCDMO CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817959889 627975778 /nfs/dbraw/zinc/97/57/78/627975778.db2.gz WHVKONDROZCXQH-MNOVXSKESA-N 1 1 304.356 3.435 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1[O-] ZINC000817970429 627978444 /nfs/dbraw/zinc/97/84/44/627978444.db2.gz VDZGTFXEUCMYKY-WCQGTBRESA-N 1 1 313.239 3.075 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1ccc(F)cc1O ZINC000817975867 627980791 /nfs/dbraw/zinc/98/07/91/627980791.db2.gz YZGWWVNJTBGFNT-YVEFUNNKSA-N 1 1 300.377 3.069 20 10 DGCDMO C[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(N2CCCCC2)cc1 ZINC000817977011 627981896 /nfs/dbraw/zinc/98/18/96/627981896.db2.gz ZJPFXPRVAXWCML-XIRDDKMYSA-N 1 1 305.441 3.028 20 10 DGCDMO COc1ccc(N2CC[C@@H](CNc3cc[nH+]cc3Cl)C2)cc1 ZINC000819934945 628201207 /nfs/dbraw/zinc/20/12/07/628201207.db2.gz IXNNGWPYSPCPPG-ZDUSSCGKSA-N 1 1 317.820 3.104 20 10 DGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)C2CC(O)C2)cc1 ZINC000824166422 628633166 /nfs/dbraw/zinc/63/31/66/628633166.db2.gz FFAPKZHRFHVIEX-UHFFFAOYSA-N 1 1 316.470 3.340 20 10 DGCDMO Cc1ncc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)n1C ZINC000824474593 628664082 /nfs/dbraw/zinc/66/40/82/628664082.db2.gz QCLVYMWPQRKPJB-UHFFFAOYSA-N 1 1 312.461 3.351 20 10 DGCDMO Cc1cc(O)c(C[NH+]2CCN(c3ccccn3)CC2)cc1Cl ZINC000824491786 628665006 /nfs/dbraw/zinc/66/50/06/628665006.db2.gz VQIBSZFTXDWBEG-UHFFFAOYSA-N 1 1 317.820 3.071 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnc(C)n2C)cc1 ZINC000824541558 628669018 /nfs/dbraw/zinc/66/90/18/628669018.db2.gz CVHYZILYXYTITH-UHFFFAOYSA-N 1 1 300.450 3.207 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)C(C)C)C2)cc1Cl ZINC000824649676 628680029 /nfs/dbraw/zinc/68/00/29/628680029.db2.gz GRAHCHNIBZWTCH-CQSZACIVSA-N 1 1 324.852 3.091 20 10 DGCDMO CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000824653768 628680367 /nfs/dbraw/zinc/68/03/67/628680367.db2.gz HHYWCALRKJLXMM-VXGBXAGGSA-N 1 1 308.378 3.225 20 10 DGCDMO COc1cc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC000824920210 628706358 /nfs/dbraw/zinc/70/63/58/628706358.db2.gz HYDMPWAVUUGECR-CXAGYDPISA-N 1 1 321.461 3.291 20 10 DGCDMO CCOCc1cc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)ccc1OC ZINC000825016714 628716581 /nfs/dbraw/zinc/71/65/81/628716581.db2.gz GOADLZWJXKLTIU-CJNGLKHVSA-N 1 1 315.417 3.224 20 10 DGCDMO CC1(C)CC[N@@H+](Cc2ccc3ccccc3c2O)CC[S@@]1=O ZINC000825023673 628717304 /nfs/dbraw/zinc/71/73/04/628717304.db2.gz GVLFULQSJFNMSF-QFIPXVFZSA-N 1 1 317.454 3.278 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825030361 628718295 /nfs/dbraw/zinc/71/82/95/628718295.db2.gz KNSRTLMPPSUBBY-CJNGLKHVSA-N 1 1 321.392 3.039 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c1 ZINC000825104225 628728324 /nfs/dbraw/zinc/72/83/24/628728324.db2.gz RINBYMGHYWOTRW-IAGOWNOFSA-N 1 1 305.418 3.180 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@]3(CCSC3)C2)cc1OC ZINC000825215318 628738261 /nfs/dbraw/zinc/73/82/61/628738261.db2.gz MFQBPSSKNUOUPN-KRWDZBQOSA-N 1 1 323.458 3.129 20 10 DGCDMO COc1cccnc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000825249866 628742205 /nfs/dbraw/zinc/74/22/05/628742205.db2.gz QCYHYPYMWMDGAM-UHFFFAOYSA-N 1 1 311.429 3.370 20 10 DGCDMO COC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000825321785 628748969 /nfs/dbraw/zinc/74/89/69/628748969.db2.gz NUHWCXJLVMVHRF-LBPRGKRZSA-N 1 1 313.825 3.303 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)CCS1 ZINC000825691799 628786235 /nfs/dbraw/zinc/78/62/35/628786235.db2.gz BVXWEPFTECBERK-JTQLQIEISA-N 1 1 316.264 3.482 20 10 DGCDMO CCCN(Cc1ccnn1-c1ccncc1)c1ccc(C[NH3+])cc1 ZINC000825710396 628788776 /nfs/dbraw/zinc/78/87/76/628788776.db2.gz OAQDWUFHOVUQOV-UHFFFAOYSA-N 1 1 321.428 3.143 20 10 DGCDMO Cc1cc(O)c(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1Cl ZINC000825935506 628811669 /nfs/dbraw/zinc/81/16/69/628811669.db2.gz WIDBZDOGJUHZRH-BBRMVZONSA-N 1 1 308.853 3.270 20 10 DGCDMO Cc1cc(O)c(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1Cl ZINC000825935506 628811672 /nfs/dbraw/zinc/81/16/72/628811672.db2.gz WIDBZDOGJUHZRH-BBRMVZONSA-N 1 1 308.853 3.270 20 10 DGCDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825939755 628812206 /nfs/dbraw/zinc/81/22/06/628812206.db2.gz GUWCXOVNZPNEBY-AWEZNQCLSA-N 1 1 324.852 3.092 20 10 DGCDMO CC[C@@H](COCC1CC1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000826867454 628897423 /nfs/dbraw/zinc/89/74/23/628897423.db2.gz JSXIQGOLNRRVOW-LBPRGKRZSA-N 1 1 301.789 3.480 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)cc1F ZINC000827596228 628975305 /nfs/dbraw/zinc/97/53/05/628975305.db2.gz WVBMVRSVMUGGJI-HZPDHXFCSA-N 1 1 306.425 3.140 20 10 DGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@H](C)C2)c(C)n1-c1ccc(F)cn1 ZINC000827634930 628978537 /nfs/dbraw/zinc/97/85/37/628978537.db2.gz GPBJCDZRBZUPOG-LBPRGKRZSA-N 1 1 315.392 3.153 20 10 DGCDMO COc1cc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)c(O)c(C(C)(C)C)c1 ZINC000827692386 628983523 /nfs/dbraw/zinc/98/35/23/628983523.db2.gz IIXVKAJMRAJELX-DJJJIMSYSA-N 1 1 321.461 3.149 20 10 DGCDMO Cc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1O ZINC000827786750 628990975 /nfs/dbraw/zinc/99/09/75/628990975.db2.gz LKMPLEFQFWTQSZ-YPMHNXCESA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1O ZINC000827786750 628990976 /nfs/dbraw/zinc/99/09/76/628990976.db2.gz LKMPLEFQFWTQSZ-YPMHNXCESA-N 1 1 303.324 3.242 20 10 DGCDMO CCc1cccc(C[N@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c1O ZINC000827785982 628991149 /nfs/dbraw/zinc/99/11/49/628991149.db2.gz FJNSVYYDUILESI-SMDDNHRTSA-N 1 1 317.351 3.496 20 10 DGCDMO CCc1cccc(C[N@@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c1O ZINC000827785982 628991151 /nfs/dbraw/zinc/99/11/51/628991151.db2.gz FJNSVYYDUILESI-SMDDNHRTSA-N 1 1 317.351 3.496 20 10 DGCDMO COC(=O)C1(C[N@@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000827812939 628993909 /nfs/dbraw/zinc/99/39/09/628993909.db2.gz CVKIWMMZVWDMBQ-UHFFFAOYSA-N 1 1 303.402 3.090 20 10 DGCDMO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000828018162 629015130 /nfs/dbraw/zinc/01/51/30/629015130.db2.gz HAIDYXKEYUEYHR-UHFFFAOYSA-N 1 1 319.836 3.364 20 10 DGCDMO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000828019290 629015187 /nfs/dbraw/zinc/01/51/87/629015187.db2.gz SXRWOMGYVAPVIH-UHFFFAOYSA-N 1 1 319.836 3.364 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1C ZINC000831526998 629385686 /nfs/dbraw/zinc/38/56/86/629385686.db2.gz BBBYJJATGTWFIX-BMIGLBTASA-N 1 1 311.809 3.105 20 10 DGCDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)C12CCC2 ZINC000832208422 629450177 /nfs/dbraw/zinc/45/01/77/629450177.db2.gz ACAMHAJXFAAOEN-CVEARBPZSA-N 1 1 321.392 3.123 20 10 DGCDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2O)C12CCC2 ZINC000832208422 629450179 /nfs/dbraw/zinc/45/01/79/629450179.db2.gz ACAMHAJXFAAOEN-CVEARBPZSA-N 1 1 321.392 3.123 20 10 DGCDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834503245 629718586 /nfs/dbraw/zinc/71/85/86/629718586.db2.gz XBJVMMGICJKZOV-VQIMIIECSA-N 1 1 319.408 3.492 20 10 DGCDMO C[C@H]1C[C@@H]([NH2+]Cc2nn(C)cc2Cl)c2c1c(F)ccc2O ZINC000834882135 629797027 /nfs/dbraw/zinc/79/70/27/629797027.db2.gz GAQLLRLDYPISOK-GZMMTYOYSA-N 1 1 309.772 3.256 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)cs2)c1 ZINC000834882049 629797054 /nfs/dbraw/zinc/79/70/54/629797054.db2.gz DHZFSIAODZSYGM-NSHDSACASA-N 1 1 305.399 3.400 20 10 DGCDMO CC[C@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)[C@@H](C)O ZINC000834888219 629798815 /nfs/dbraw/zinc/79/88/15/629798815.db2.gz NPWQBHLFDAOASN-RWYTXXIDSA-N 1 1 320.202 3.104 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1cccc(C(F)(F)F)c1O ZINC000834903924 629804106 /nfs/dbraw/zinc/80/41/06/629804106.db2.gz MGZOPFBYMUDYEK-BXKDBHETSA-N 1 1 303.324 3.487 20 10 DGCDMO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(F)cc2O)cc1C ZINC000834916446 629808209 /nfs/dbraw/zinc/80/82/09/629808209.db2.gz YUAZMYYJKJOXHB-YOEHRIQHSA-N 1 1 317.404 3.402 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000835029687 629829873 /nfs/dbraw/zinc/82/98/73/629829873.db2.gz VWCZYYSPNWGCKM-ZFRRBFPSSA-N 1 1 300.446 3.124 20 10 DGCDMO CC[C@H](CNC/C=C/c1ccc(N(C)C)cc1)[NH+]1CCCC1 ZINC000835035931 629830327 /nfs/dbraw/zinc/83/03/27/629830327.db2.gz LQGOQYRKMCJNLK-LKGOPFMKSA-N 1 1 301.478 3.230 20 10 DGCDMO CN(C)c1ccc(/C=C/CNCCC[NH+]2CCCCC2)cc1 ZINC000835035051 629830682 /nfs/dbraw/zinc/83/06/82/629830682.db2.gz DKGVSSVDPZQVLO-SOFGYWHQSA-N 1 1 301.478 3.231 20 10 DGCDMO CC(C)[N@@H+]1CC[C@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835052289 629837201 /nfs/dbraw/zinc/83/72/01/629837201.db2.gz BZSDSOCFRKMSGC-DUMMIQTOSA-N 1 1 301.478 3.086 20 10 DGCDMO CC(C)[N@H+]1CC[C@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835052289 629837204 /nfs/dbraw/zinc/83/72/04/629837204.db2.gz BZSDSOCFRKMSGC-DUMMIQTOSA-N 1 1 301.478 3.086 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)CC(F)(F)F)c1 ZINC000840870838 630369680 /nfs/dbraw/zinc/36/96/80/630369680.db2.gz AHHDFHRTRWRMGR-ZJUUUORDSA-N 1 1 319.323 3.418 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)OCC2CC2)c1 ZINC000840877566 630370789 /nfs/dbraw/zinc/37/07/89/630370789.db2.gz YQTKAURHDQQAJR-GFCCVEGCSA-N 1 1 321.417 3.035 20 10 DGCDMO Cc1occc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000840907228 630375561 /nfs/dbraw/zinc/37/55/61/630375561.db2.gz AXAZAINTIAUHEN-KRWDZBQOSA-N 1 1 301.386 3.475 20 10 DGCDMO CCc1ncc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000840909938 630376690 /nfs/dbraw/zinc/37/66/90/630376690.db2.gz IWXWYJUHKAAEGY-UHFFFAOYSA-N 1 1 310.445 3.270 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000840913543 630377363 /nfs/dbraw/zinc/37/73/63/630377363.db2.gz GWRMBFPTXMJXCG-IBGZPJMESA-N 1 1 301.478 3.121 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000840913543 630377367 /nfs/dbraw/zinc/37/73/67/630377367.db2.gz GWRMBFPTXMJXCG-IBGZPJMESA-N 1 1 301.478 3.121 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000840919157 630378059 /nfs/dbraw/zinc/37/80/59/630378059.db2.gz WIQUBWMRWKAVAN-SFHVURJKSA-N 1 1 300.402 3.228 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000840919157 630378063 /nfs/dbraw/zinc/37/80/63/630378063.db2.gz WIQUBWMRWKAVAN-SFHVURJKSA-N 1 1 300.402 3.228 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000840936308 630380865 /nfs/dbraw/zinc/38/08/65/630380865.db2.gz JADADXQPZVDUDA-ZDUSSCGKSA-N 1 1 301.438 3.153 20 10 DGCDMO CCC1(CC)C[N@H+](Cc2ccc(N(C)C)cc2C)CC[S@]1=O ZINC000840938791 630381276 /nfs/dbraw/zinc/38/12/76/630381276.db2.gz RIOXTZGYQJWTQU-JOCHJYFZSA-N 1 1 322.518 3.184 20 10 DGCDMO CCC1(CC)C[N@@H+](Cc2ccc(N(C)C)cc2C)CC[S@]1=O ZINC000840938791 630381280 /nfs/dbraw/zinc/38/12/80/630381280.db2.gz RIOXTZGYQJWTQU-JOCHJYFZSA-N 1 1 322.518 3.184 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](C)CCCNC(=O)C2CCC2)c(Cl)c1 ZINC000840941880 630382139 /nfs/dbraw/zinc/38/21/39/630382139.db2.gz PBHOPZXITAUORV-UHFFFAOYSA-N 1 1 324.852 3.092 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000840949589 630383333 /nfs/dbraw/zinc/38/33/33/630383333.db2.gz YPOKIXQIHNRRMH-RTBURBONSA-N 1 1 300.446 3.204 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000840950416 630383702 /nfs/dbraw/zinc/38/37/02/630383702.db2.gz IBGSEJSNTPSKLN-OTWHNJEPSA-N 1 1 302.462 3.186 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH+]1CCC(c2ccncn2)CC1 ZINC000840953578 630383891 /nfs/dbraw/zinc/38/38/91/630383891.db2.gz UZLXXKLPXKAHJR-UHFFFAOYSA-N 1 1 321.783 3.354 20 10 DGCDMO C[C@@H]([NH3+])c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000841027989 630398445 /nfs/dbraw/zinc/39/84/45/630398445.db2.gz ISABAZAEKOTAHX-MRXNPFEDSA-N 1 1 324.472 3.070 20 10 DGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccc(CC[NH3+])cc2)c(Cl)c1 ZINC000841034138 630399390 /nfs/dbraw/zinc/39/93/90/630399390.db2.gz WEAQUWGANONLSP-UHFFFAOYSA-N 1 1 304.821 3.145 20 10 DGCDMO [NH3+][C@H](CNCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000841038095 630399874 /nfs/dbraw/zinc/39/98/74/630399874.db2.gz UGYVVHJCNVJNAH-HXUWFJFHSA-N 1 1 309.457 3.467 20 10 DGCDMO CSc1ccc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841041198 630400451 /nfs/dbraw/zinc/40/04/51/630400451.db2.gz BTVGJMUXMMZAST-GOSISDBHSA-N 1 1 315.486 3.264 20 10 DGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cccc(Cl)c2F)cc1 ZINC000841044899 630401382 /nfs/dbraw/zinc/40/13/82/630401382.db2.gz ZSDAYVCXPPWVTB-INIZCTEOSA-N 1 1 321.827 3.335 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CNC/C=C\c2ccc(F)cc2)cc1 ZINC000841046054 630401770 /nfs/dbraw/zinc/40/17/70/630401770.db2.gz VJYDAJFRUILBEW-LLHWWHOWSA-N 1 1 313.420 3.195 20 10 DGCDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841688446 630454418 /nfs/dbraw/zinc/45/44/18/630454418.db2.gz HPDMIKCACOBFDI-UXLLHSPISA-N 1 1 319.445 3.465 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Cl)cc1O ZINC000841748246 630461820 /nfs/dbraw/zinc/46/18/20/630461820.db2.gz IKTZZAMBOPRSOD-RBOXIYTFSA-N 1 1 311.809 3.034 20 10 DGCDMO CCC[N@@H+](CC[S@](=O)c1ccccc1)Cc1ccccc1O ZINC000104682351 630507549 /nfs/dbraw/zinc/50/75/49/630507549.db2.gz AYZJXVYJRWZMQB-JOCHJYFZSA-N 1 1 317.454 3.412 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCS[C@@H]2C)c1 ZINC000842778898 630575360 /nfs/dbraw/zinc/57/53/60/630575360.db2.gz ONDFGJYDJFBRCC-SKDRFNHKSA-N 1 1 316.264 3.447 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc2n(n1)CCCC2 ZINC000842836029 630582753 /nfs/dbraw/zinc/58/27/53/630582753.db2.gz MDRGWWXGTJIGFF-ZDUSSCGKSA-N 1 1 316.424 3.275 20 10 DGCDMO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(Br)c(F)cc1O ZINC000842928291 630594263 /nfs/dbraw/zinc/59/42/63/630594263.db2.gz JAIDBDXORDAAFM-HRDYMLBCSA-N 1 1 318.186 3.122 20 10 DGCDMO CN(C)c1ccc(/C=C/CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000843044011 630607473 /nfs/dbraw/zinc/60/74/73/630607473.db2.gz FYGKEOANWVZRNV-IUWYBMQSSA-N 1 1 313.489 3.230 20 10 DGCDMO [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126107 630616329 /nfs/dbraw/zinc/61/63/29/630616329.db2.gz GOBXQBFZQUKBRU-KBPBESRZSA-N 1 1 308.853 3.257 20 10 DGCDMO [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126107 630616330 /nfs/dbraw/zinc/61/63/30/630616330.db2.gz GOBXQBFZQUKBRU-KBPBESRZSA-N 1 1 308.853 3.257 20 10 DGCDMO Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000843125076 630616413 /nfs/dbraw/zinc/61/64/13/630616413.db2.gz MZGDMNLHJRNFMB-KBPBESRZSA-N 1 1 308.853 3.176 20 10 DGCDMO Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000843125076 630616416 /nfs/dbraw/zinc/61/64/16/630616416.db2.gz MZGDMNLHJRNFMB-KBPBESRZSA-N 1 1 308.853 3.176 20 10 DGCDMO Cc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000843125077 630616477 /nfs/dbraw/zinc/61/64/77/630616477.db2.gz MZGDMNLHJRNFMB-KGLIPLIRSA-N 1 1 308.853 3.176 20 10 DGCDMO Cc1cc([O-])c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000843125077 630616478 /nfs/dbraw/zinc/61/64/78/630616478.db2.gz MZGDMNLHJRNFMB-KGLIPLIRSA-N 1 1 308.853 3.176 20 10 DGCDMO Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000843125078 630616664 /nfs/dbraw/zinc/61/66/64/630616664.db2.gz MZGDMNLHJRNFMB-UONOGXRCSA-N 1 1 308.853 3.176 20 10 DGCDMO Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000843125078 630616667 /nfs/dbraw/zinc/61/66/67/630616667.db2.gz MZGDMNLHJRNFMB-UONOGXRCSA-N 1 1 308.853 3.176 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1O ZINC000843415908 630654387 /nfs/dbraw/zinc/65/43/87/630654387.db2.gz FAHHJNPLMLMLKX-HOTGVXAUSA-N 1 1 305.418 3.182 20 10 DGCDMO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000844378707 630723005 /nfs/dbraw/zinc/72/30/05/630723005.db2.gz LUZQAJNOBXRZQM-BONVTDFDSA-N 1 1 313.825 3.135 20 10 DGCDMO COc1ccc(N(C)CC[N@H+](C)Cc2ccncc2Cl)cc1 ZINC000844400694 630724911 /nfs/dbraw/zinc/72/49/11/630724911.db2.gz GPMCPGIWPWPDCO-UHFFFAOYSA-N 1 1 319.836 3.312 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccncc2Cl)cc1 ZINC000844400694 630724913 /nfs/dbraw/zinc/72/49/13/630724913.db2.gz GPMCPGIWPWPDCO-UHFFFAOYSA-N 1 1 319.836 3.312 20 10 DGCDMO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)c2ncc(C)o2)cc1 ZINC000844402427 630724925 /nfs/dbraw/zinc/72/49/25/630724925.db2.gz XFTFOTZRBAXKGU-AWEZNQCLSA-N 1 1 303.406 3.121 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)c2ncc(C)o2)cc1 ZINC000844402427 630724926 /nfs/dbraw/zinc/72/49/26/630724926.db2.gz XFTFOTZRBAXKGU-AWEZNQCLSA-N 1 1 303.406 3.121 20 10 DGCDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000844716174 630804571 /nfs/dbraw/zinc/80/45/71/630804571.db2.gz IJJMDGKNECWOBD-OAHLLOKOSA-N 1 1 300.402 3.330 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000846042701 631207757 /nfs/dbraw/zinc/20/77/57/631207757.db2.gz NXCATQGGBQBFJT-INIZCTEOSA-N 1 1 313.800 3.480 20 10 DGCDMO CC[C@@H]1C[C@H](C[N@@H+](C)CCN(C)c2ccc(OC)cc2)CCO1 ZINC000846051292 631208435 /nfs/dbraw/zinc/20/84/35/631208435.db2.gz FGAGJWARPXPFMS-SJLPKXTDSA-N 1 1 320.477 3.268 20 10 DGCDMO C[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccc(F)cc1O ZINC000846177315 631213599 /nfs/dbraw/zinc/21/35/99/631213599.db2.gz AAKDTNCQUSDXOZ-DJJJIMSYSA-N 1 1 315.388 3.058 20 10 DGCDMO C[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)[C@@H]1CCOC1 ZINC000106858096 631476807 /nfs/dbraw/zinc/47/68/07/631476807.db2.gz FSECKKCKMCOGPK-GFCCVEGCSA-N 1 1 301.386 3.238 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](OC3CCC3)C1)CCC2 ZINC000848497766 631670217 /nfs/dbraw/zinc/67/02/17/631670217.db2.gz QEBURJRKEUJZRC-GOSISDBHSA-N 1 1 301.430 3.414 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1ccc(F)cc1O ZINC000848558125 631692036 /nfs/dbraw/zinc/69/20/36/631692036.db2.gz JUODOSFDTFWGBD-MEDUHNTESA-N 1 1 314.360 3.135 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848575017 631699859 /nfs/dbraw/zinc/69/98/59/631699859.db2.gz KSJJAOSNYFUUAW-KGLIPLIRSA-N 1 1 312.816 3.291 20 10 DGCDMO CCc1cccc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1O ZINC000848887274 631771494 /nfs/dbraw/zinc/77/14/94/631771494.db2.gz RVCJBUPHTAYYPT-LJQANCHMSA-N 1 1 311.425 3.436 20 10 DGCDMO CCc1cccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1O ZINC000848887552 631771731 /nfs/dbraw/zinc/77/17/31/631771731.db2.gz YWQOQLPREDBNJW-SFHVURJKSA-N 1 1 313.397 3.234 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000848907006 631781710 /nfs/dbraw/zinc/78/17/10/631781710.db2.gz GLLITNPLFQMZNB-HIFRSBDPSA-N 1 1 317.351 3.090 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1O ZINC000848912411 631784118 /nfs/dbraw/zinc/78/41/18/631784118.db2.gz QUPMXRNOLZYQTC-UHFFFAOYSA-N 1 1 311.381 3.328 20 10 DGCDMO CCc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000848913252 631784236 /nfs/dbraw/zinc/78/42/36/631784236.db2.gz SKYMMUGNWYXYJY-WMZOPIPTSA-N 1 1 301.430 3.488 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1F ZINC000848925321 631790089 /nfs/dbraw/zinc/79/00/89/631790089.db2.gz SQQAWYJYNJEUSP-MRXNPFEDSA-N 1 1 306.425 3.425 20 10 DGCDMO [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350835 631901463 /nfs/dbraw/zinc/90/14/63/631901463.db2.gz YAUWGDOERRGRPQ-AWEZNQCLSA-N 1 1 308.853 3.257 20 10 DGCDMO [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350835 631901465 /nfs/dbraw/zinc/90/14/65/631901465.db2.gz YAUWGDOERRGRPQ-AWEZNQCLSA-N 1 1 308.853 3.257 20 10 DGCDMO COc1cc(C[NH2+]Cc2nnc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000850241101 632090410 /nfs/dbraw/zinc/09/04/10/632090410.db2.gz SHBMOWDBEFXWBG-UHFFFAOYSA-N 1 1 321.446 3.148 20 10 DGCDMO CC[C@H]([NH2+]Cc1nccc(OC)c1F)c1ccc(F)cc1O ZINC000850536729 632185699 /nfs/dbraw/zinc/18/56/99/632185699.db2.gz MZVHHEXHDIQLEY-LBPRGKRZSA-N 1 1 308.328 3.315 20 10 DGCDMO CC[C@H]([NH2+]Cc1ncccn1)c1ccc(C(F)(F)F)cc1O ZINC000850552468 632190282 /nfs/dbraw/zinc/19/02/82/632190282.db2.gz MQWGVIHBZSQESC-LBPRGKRZSA-N 1 1 311.307 3.442 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1O ZINC000850555924 632191768 /nfs/dbraw/zinc/19/17/68/632191768.db2.gz JYJCMTMCUKISCO-RYUDHWBXSA-N 1 1 324.852 3.343 20 10 DGCDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)cc1F ZINC000109770799 632316138 /nfs/dbraw/zinc/31/61/38/632316138.db2.gz BFRPLHGZCQTAIK-ZDUSSCGKSA-N 1 1 316.376 3.299 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](OC)[C@H]2CCOC2)cc1 ZINC000851717015 632474037 /nfs/dbraw/zinc/47/40/37/632474037.db2.gz UKHJWWQRUFHZGV-HKUYNNGSSA-N 1 1 320.477 3.016 20 10 DGCDMO C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(F)cc1O ZINC000185443404 660223320 /nfs/dbraw/zinc/22/33/20/660223320.db2.gz RPAGTPKFFQKRAK-LBPRGKRZSA-N 1 1 302.349 3.211 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)c1 ZINC000185471884 660224731 /nfs/dbraw/zinc/22/47/31/660224731.db2.gz KFZVRNIXLPBTBC-GUYCJALGSA-N 1 1 308.466 3.418 20 10 DGCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929976233 661355085 /nfs/dbraw/zinc/35/50/85/661355085.db2.gz MKYPESAXGKCUEG-JSGCOSHPSA-N 1 1 303.324 3.324 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ncccn1)c1cc(Br)ccc1O ZINC000702331301 660721820 /nfs/dbraw/zinc/72/18/20/660721820.db2.gz SYLHOXOPTBWGLW-GFCCVEGCSA-N 1 1 322.206 3.186 20 10 DGCDMO COC[C@H]1CCCC[N@H+]1Cc1c(O)cccc1Br ZINC000707130133 660889590 /nfs/dbraw/zinc/88/95/90/660889590.db2.gz YUIOAMLORCMJFY-LLVKDONJSA-N 1 1 314.223 3.156 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000792776924 660983690 /nfs/dbraw/zinc/98/36/90/660983690.db2.gz KLYGKESFVHNRGL-CQSZACIVSA-N 1 1 316.367 3.382 20 10 DGCDMO COc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)c(O)c1 ZINC000793386700 661029098 /nfs/dbraw/zinc/02/90/98/661029098.db2.gz XWXMEAFNQWOTFY-UHFFFAOYSA-N 1 1 318.320 3.166 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(O)cc1C ZINC000794650778 661096141 /nfs/dbraw/zinc/09/61/41/661096141.db2.gz MSGCFZXDAVAFDS-PWSUYJOCSA-N 1 1 303.324 3.482 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@H](C2CC2)O1 ZINC000794661320 661096643 /nfs/dbraw/zinc/09/66/43/661096643.db2.gz ZCRXWSVQQYBNAG-ORAYPTAESA-N 1 1 301.430 3.270 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@](C)(O)CC2)c1 ZINC000794672851 661097661 /nfs/dbraw/zinc/09/76/61/661097661.db2.gz PWOSOJBPGFZXRS-GOSISDBHSA-N 1 1 307.434 3.132 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](C[C@H](O)CCC(C)C)CC2)cc1 ZINC000795523198 661156733 /nfs/dbraw/zinc/15/67/33/661156733.db2.gz BMJDBKCYYWUOHN-GOSISDBHSA-N 1 1 320.477 3.004 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2cccc(N(C)C)c2)c(O)cc1C ZINC000160455254 655636457 /nfs/dbraw/zinc/63/64/57/655636457.db2.gz PPYIAHFGQQSMDU-UHFFFAOYSA-N 1 1 314.429 3.407 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3C[C@H](C)OC[C@H]3C)c2c1 ZINC000043751591 655717925 /nfs/dbraw/zinc/71/79/25/655717925.db2.gz BRBIVJKQPFIOQF-OLZOCXBDSA-N 1 1 301.386 3.163 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000795999121 661184418 /nfs/dbraw/zinc/18/44/18/661184418.db2.gz HAFJZVBPOQZKRJ-AVGNSLFASA-N 1 1 322.405 3.471 20 10 DGCDMO c1cc(N2CCCCC2)ccc1CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000236677318 656113781 /nfs/dbraw/zinc/11/37/81/656113781.db2.gz LTISOUGZWPHBQU-PMACEKPBSA-N 1 1 313.489 3.393 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000236677318 656113785 /nfs/dbraw/zinc/11/37/85/656113785.db2.gz LTISOUGZWPHBQU-PMACEKPBSA-N 1 1 313.489 3.393 20 10 DGCDMO CCCC[N@H+](CCOC)Cc1cccc(Br)c1O ZINC000093323046 656308310 /nfs/dbraw/zinc/30/83/10/656308310.db2.gz DVSAQUQAJKTLAB-UHFFFAOYSA-N 1 1 316.239 3.403 20 10 DGCDMO CCCC[N@@H+](CCOC)Cc1cccc(Br)c1O ZINC000093323046 656308313 /nfs/dbraw/zinc/30/83/13/656308313.db2.gz DVSAQUQAJKTLAB-UHFFFAOYSA-N 1 1 316.239 3.403 20 10 DGCDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093558729 656359638 /nfs/dbraw/zinc/35/96/38/656359638.db2.gz VKMFTQKGSTVTJS-HNNXBMFYSA-N 1 1 308.491 3.097 20 10 DGCDMO CC[C@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000178849192 657083816 /nfs/dbraw/zinc/08/38/16/657083816.db2.gz ISNDMQXQPPFCDA-AWEZNQCLSA-N 1 1 307.434 3.309 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000178849192 657083820 /nfs/dbraw/zinc/08/38/20/657083820.db2.gz ISNDMQXQPPFCDA-AWEZNQCLSA-N 1 1 307.434 3.309 20 10 DGCDMO C[N@@H+](CCCOc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000029540285 657763912 /nfs/dbraw/zinc/76/39/12/657763912.db2.gz MVMFQUCZQUFBMR-UHFFFAOYSA-N 1 1 315.369 3.022 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000164210873 658921697 /nfs/dbraw/zinc/92/16/97/658921697.db2.gz LRGBHEDNKIYZJU-GOSISDBHSA-N 1 1 324.424 3.072 20 10 DGCDMO COc1cc(C[N@@H+]2CCOCC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000164213651 658921991 /nfs/dbraw/zinc/92/19/91/658921991.db2.gz MAWQGVIEXZFERX-UHFFFAOYSA-N 1 1 307.434 3.309 20 10 DGCDMO COc1cc(C[N@H+]2CCOCC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000164213651 658921994 /nfs/dbraw/zinc/92/19/94/658921994.db2.gz MAWQGVIEXZFERX-UHFFFAOYSA-N 1 1 307.434 3.309 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](Cc3ccccc3)C1)OCO2 ZINC000172916070 659365691 /nfs/dbraw/zinc/36/56/91/659365691.db2.gz AIGXYBYJOLKLHS-OAHLLOKOSA-N 1 1 311.381 3.186 20 10 DGCDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)C1 ZINC000173484323 659389585 /nfs/dbraw/zinc/38/95/85/659389585.db2.gz 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DGCDMO CN(Cc1cc(Cl)c(F)cc1O)C(C)(C)C[NH+]1CCCC1 ZINC001621400788 1193837690 /nfs/dbraw/zinc/83/76/90/1193837690.db2.gz OZKCKWGZZYIDDO-UHFFFAOYSA-N 1 1 314.832 3.491 20 10 DGCDMO Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)cn2cc[nH+]c12 ZINC001625232079 1194038573 /nfs/dbraw/zinc/03/85/73/1194038573.db2.gz OPSPDZSVVPLQMY-UHFFFAOYSA-N 1 1 323.400 3.030 20 10 DGCDMO CCC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H](CC)C(=O)OCC ZINC001645268825 1195170678 /nfs/dbraw/zinc/17/06/78/1195170678.db2.gz CSJNHRHUWFIGJI-KRWDZBQOSA-N 1 1 306.450 3.306 20 10 DGCDMO COc1ccc(O[C@@H](C)C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC001647036003 1195242774 /nfs/dbraw/zinc/24/27/74/1195242774.db2.gz OBFSHMJEKVEOFT-NSHDSACASA-N 1 1 323.339 3.236 20 10 DGCDMO C[C@@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1ccccc1O ZINC001648054072 1195273656 /nfs/dbraw/zinc/27/36/56/1195273656.db2.gz NBGNVVQSTDARMG-CYBMUJFWSA-N 1 1 309.369 3.217 20 10 DGCDMO CCCN(CCC)c1ccc(C[NH2+]CCc2n[nH]c(C)n2)cc1 ZINC001650795604 1195382834 /nfs/dbraw/zinc/38/28/34/1195382834.db2.gz TXVGUPRILFGZDS-UHFFFAOYSA-N 1 1 315.465 3.072 20 10 DGCDMO CCCN(CCC)c1ccc(C[NH2+]CCc2nnc(C)[nH]2)cc1 ZINC001650795604 1195382841 /nfs/dbraw/zinc/38/28/41/1195382841.db2.gz TXVGUPRILFGZDS-UHFFFAOYSA-N 1 1 315.465 3.072 20 10 DGCDMO OC[C@H](CCc1ccccc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001651582512 1195482175 /nfs/dbraw/zinc/48/21/75/1195482175.db2.gz RJBDUDDGQOMBDW-ZDUSSCGKSA-N 1 1 323.795 3.268 20 10 DGCDMO Oc1c(F)cccc1C[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC001652494515 1195607448 /nfs/dbraw/zinc/60/74/48/1195607448.db2.gz SNLMIFSSAKSZGZ-UHFFFAOYSA-N 1 1 300.255 3.235 20 10 DGCDMO Cc1ccc(F)cc1NC(=O)CC[N@H+](C)Cc1ccccc1O ZINC001652732564 1195642760 /nfs/dbraw/zinc/64/27/60/1195642760.db2.gz VRNRSGRXCWJTPU-UHFFFAOYSA-N 1 1 316.376 3.300 20 10 DGCDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001652888798 1195666964 /nfs/dbraw/zinc/66/69/64/1195666964.db2.gz PYIODNQLUBCNSQ-INIZCTEOSA-N 1 1 318.461 3.252 20 10 DGCDMO Oc1cccc(F)c1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC001653131250 1195690563 /nfs/dbraw/zinc/69/05/63/1195690563.db2.gz HDWJINPSTRCCCG-UHFFFAOYSA-N 1 1 301.361 3.189 20 10 DGCDMO Cc1ccc(C[N@H+]2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)c(O)c1 ZINC001653209582 1195698873 /nfs/dbraw/zinc/69/88/73/1195698873.db2.gz CFVPIGNVWKSBTP-BETUJISGSA-N 1 1 316.367 3.158 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](CCC(=O)OC)C2)cc1 ZINC001654691880 1195831164 /nfs/dbraw/zinc/83/11/64/1195831164.db2.gz BQJVOZAQPQHKFB-MRXNPFEDSA-N 1 1 318.461 3.308 20 10 DGCDMO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001654826392 1195845165 /nfs/dbraw/zinc/84/51/65/1195845165.db2.gz JUSCHVXDQQSVEL-IAGOWNOFSA-N 1 1 302.462 3.391 20 10 DGCDMO C[C@H](C[NH+]1CCCCC1)NC/C=C/c1ccc(N(C)C)cc1 ZINC001655259507 1195896637 /nfs/dbraw/zinc/89/66/37/1195896637.db2.gz LNOMCKMSVFUHOJ-IWAYRVGRSA-N 1 1 301.478 3.230 20 10 DGCDMO CCC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCCC1 ZINC001655917953 1195977407 /nfs/dbraw/zinc/97/74/07/1195977407.db2.gz SCZGAWFTYBWHGJ-UHFFFAOYSA-N 1 1 315.505 3.498 20 10 DGCDMO C[C@@H](CNCc1ccc(N2CCCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001656761410 1196069648 /nfs/dbraw/zinc/06/96/48/1196069648.db2.gz NZXYUMRLLXERRX-MSOLQXFVSA-N 1 1 315.505 3.497 20 10 DGCDMO C[C@@H](CNCc1ccc(N2CCCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001656761410 1196069652 /nfs/dbraw/zinc/06/96/52/1196069652.db2.gz NZXYUMRLLXERRX-MSOLQXFVSA-N 1 1 315.505 3.497 20 10 DGCDMO CCc1nnc([C@H](C)[NH2+]Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC001657087523 1196103240 /nfs/dbraw/zinc/10/32/40/1196103240.db2.gz GQCIEXFFFNLBRR-AWEZNQCLSA-N 1 1 313.449 3.208 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)CCC(=O)OC(C)(C)C)cc1 ZINC001657220903 1196119677 /nfs/dbraw/zinc/11/96/77/1196119677.db2.gz PQTILBDWPDFYBM-BQYQJAHWSA-N 1 1 318.461 3.429 20 10 DGCDMO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC001657277229 1196126159 /nfs/dbraw/zinc/12/61/59/1196126159.db2.gz TXJJUFIJPDTSQZ-DOTOQJQBSA-N 1 1 317.429 3.336 20 10 DGCDMO CC(C)c1ccc(O)c(C[NH+]2CCN(CC(F)(F)F)CC2)c1 ZINC001657560979 1196154801 /nfs/dbraw/zinc/15/48/01/1196154801.db2.gz IDBDTTCINYHNOO-UHFFFAOYSA-N 1 1 316.367 3.196 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccccc1-n1cccn1 ZINC001657583446 1196157274 /nfs/dbraw/zinc/15/72/74/1196157274.db2.gz GXWOVJIUUTWNTO-UHFFFAOYSA-N 1 1 315.323 3.146 20 10 DGCDMO COc1cc(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001657844198 1196183555 /nfs/dbraw/zinc/18/35/55/1196183555.db2.gz SSTBHPOEJRUJTD-KGLIPLIRSA-N 1 1 320.477 3.223 20 10 DGCDMO COc1cc(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001657844198 1196183556 /nfs/dbraw/zinc/18/35/56/1196183556.db2.gz SSTBHPOEJRUJTD-KGLIPLIRSA-N 1 1 320.477 3.223 20 10 DGCDMO COc1cc(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001657844198 1196183557 /nfs/dbraw/zinc/18/35/57/1196183557.db2.gz SSTBHPOEJRUJTD-KGLIPLIRSA-N 1 1 320.477 3.223 20 10 DGCDMO COc1cc(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001657844200 1196184593 /nfs/dbraw/zinc/18/45/93/1196184593.db2.gz SSTBHPOEJRUJTD-ZIAGYGMSSA-N 1 1 320.477 3.223 20 10 DGCDMO COc1cc(C[N@@H+]2C[C@@H](C)N(C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001657844200 1196184596 /nfs/dbraw/zinc/18/45/96/1196184596.db2.gz SSTBHPOEJRUJTD-ZIAGYGMSSA-N 1 1 320.477 3.223 20 10 DGCDMO COc1cc(C[N@H+]2C[C@@H](C)N(C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001657844200 1196184599 /nfs/dbraw/zinc/18/45/99/1196184599.db2.gz SSTBHPOEJRUJTD-ZIAGYGMSSA-N 1 1 320.477 3.223 20 10 DGCDMO Cc1cccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c1C ZINC001657888364 1196190563 /nfs/dbraw/zinc/19/05/63/1196190563.db2.gz IPJXAWNHXXJYEM-UHFFFAOYSA-N 1 1 323.484 3.345 20 10 DGCDMO CC[C@@H](C)[C@@H](C[N@@H+](C)CCN(C)c1ccc(OC)cc1)OC ZINC001658486674 1196263848 /nfs/dbraw/zinc/26/38/48/1196263848.db2.gz GWOUXSJNIAYQQS-CRAIPNDOSA-N 1 1 308.466 3.124 20 10 DGCDMO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001658968267 1196325854 /nfs/dbraw/zinc/32/58/54/1196325854.db2.gz QXRAGIWDAAUXAR-ZDUSSCGKSA-N 1 1 311.809 3.272 20 10 DGCDMO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001659002670 1196330888 /nfs/dbraw/zinc/33/08/88/1196330888.db2.gz LXZQZWWUXGICPU-MRXNPFEDSA-N 1 1 305.418 3.433 20 10 DGCDMO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001659002670 1196330894 /nfs/dbraw/zinc/33/08/94/1196330894.db2.gz LXZQZWWUXGICPU-MRXNPFEDSA-N 1 1 305.418 3.433 20 10 DGCDMO COC(=O)c1c(C[N@@H+]2CCC=C(C)C2)c2cc(F)ccc2n1C ZINC001659021537 1196333608 /nfs/dbraw/zinc/33/36/08/1196333608.db2.gz DDUMLAOATQJBEW-UHFFFAOYSA-N 1 1 316.376 3.256 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CCC=C(C)C2)c2cc(F)ccc2n1C ZINC001659021537 1196333613 /nfs/dbraw/zinc/33/36/13/1196333613.db2.gz DDUMLAOATQJBEW-UHFFFAOYSA-N 1 1 316.376 3.256 20 10 DGCDMO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(Cl)cc2O)oc1C ZINC001659285203 1196367613 /nfs/dbraw/zinc/36/76/13/1196367613.db2.gz XHPRIGGBJMBNMB-UHFFFAOYSA-N 1 1 323.776 3.366 20 10 DGCDMO CC(C)[C@@H]1[N@H+](Cc2cc(F)c(F)cc2O)CC12CCOCC2 ZINC001659461408 1196385539 /nfs/dbraw/zinc/38/55/39/1196385539.db2.gz RPPMFQONIFOGKC-INIZCTEOSA-N 1 1 311.372 3.307 20 10 DGCDMO CC(C)[C@@H]1[N@@H+](Cc2cc(F)c(F)cc2O)CC12CCOCC2 ZINC001659461408 1196385544 /nfs/dbraw/zinc/38/55/44/1196385544.db2.gz RPPMFQONIFOGKC-INIZCTEOSA-N 1 1 311.372 3.307 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCCCCCNC(=O)CC2)cc1Cl ZINC001659812993 1196416597 /nfs/dbraw/zinc/41/65/97/1196416597.db2.gz FSUBRANBDYSDBS-UHFFFAOYSA-N 1 1 324.852 3.236 20 10 DGCDMO CN(C)c1cc(F)c(C[NH+]2CC(CC3CCOCC3)C2)cc1F ZINC001659925222 1196429357 /nfs/dbraw/zinc/42/93/57/1196429357.db2.gz IHRDXGXQUBKMKO-UHFFFAOYSA-N 1 1 324.415 3.279 20 10 DGCDMO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3ccc(Cl)cc3O)C2)n1 ZINC001660107624 1196446318 /nfs/dbraw/zinc/44/63/18/1196446318.db2.gz RPURGIBVUTUNLB-MFKMUULPSA-N 1 1 321.808 3.417 20 10 DGCDMO CC(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2O)CC1 ZINC001660135447 1196450108 /nfs/dbraw/zinc/45/01/08/1196450108.db2.gz CAHYUGYLPQZWLU-UHFFFAOYSA-N 1 1 324.852 3.172 20 10 DGCDMO C[NH+](C)C1(CNCc2ccc3c(c2)CCCO3)CCCCC1 ZINC001660752357 1196519049 /nfs/dbraw/zinc/51/90/49/1196519049.db2.gz OSRWSEQLETUELQ-UHFFFAOYSA-N 1 1 302.462 3.366 20 10 DGCDMO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(F)c(F)cc3O)C2)n1 ZINC001660801095 1196527036 /nfs/dbraw/zinc/52/70/36/1196527036.db2.gz ZUCNHUQSHDXQKY-MWLCHTKSSA-N 1 1 323.343 3.042 20 10 DGCDMO CCOCc1cc(C[NH2+]Cc2nc(C)cs2)ccc1OC ZINC001660867577 1196537111 /nfs/dbraw/zinc/53/71/11/1196537111.db2.gz OVEONJFKDPYMDD-UHFFFAOYSA-N 1 1 306.431 3.286 20 10 DGCDMO CC[C@@H]1CCCC[N@H+]1CCNCc1ccc(N(C)C)c(F)c1 ZINC001661391965 1196600651 /nfs/dbraw/zinc/60/06/51/1196600651.db2.gz XGSWVLOQOGEYQT-MRXNPFEDSA-N 1 1 307.457 3.246 20 10 DGCDMO CC[C@@H]1CCCCN1CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001661391965 1196600653 /nfs/dbraw/zinc/60/06/53/1196600653.db2.gz XGSWVLOQOGEYQT-MRXNPFEDSA-N 1 1 307.457 3.246 20 10 DGCDMO CCOc1ccc2c(c1)C[N@H+](Cc1cccc(OC)c1O)CC2 ZINC000092666597 1198595073 /nfs/dbraw/zinc/59/50/73/1198595073.db2.gz GOEOWPOQIYLXPK-UHFFFAOYSA-N 1 1 313.397 3.358 20 10 DGCDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1c(O)ccc(Cl)c1Cl ZINC001237080555 1099959771 /nfs/dbraw/zinc/95/97/71/1099959771.db2.gz UCUBMCNXWPENPE-VHSXEESVSA-N 1 1 303.233 3.223 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCC[C@]1(O)C(F)(F)F ZINC001140057865 1081777205 /nfs/dbraw/zinc/77/72/05/1081777205.db2.gz QMYMYQPAPHICBX-IINYFYTJSA-N 1 1 321.314 3.057 20 10 DGCDMO Cc1ccc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167426767 1082097488 /nfs/dbraw/zinc/09/74/88/1082097488.db2.gz LEBMZOVMEHCNRK-UHFFFAOYSA-N 1 1 310.445 3.062 20 10 DGCDMO COCC[N@@H+](Cc1c(O)cccc1Br)C(C)C ZINC000707166516 1082217968 /nfs/dbraw/zinc/21/79/68/1082217968.db2.gz QUBCYWODLDICIJ-UHFFFAOYSA-N 1 1 302.212 3.012 20 10 DGCDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC/C=C/c1ccc(N(C)C)cc1 ZINC001648914653 1082420243 /nfs/dbraw/zinc/42/02/43/1082420243.db2.gz WZVXPLKZHCFKQL-GNLKBHMISA-N 1 1 315.505 3.476 20 10 DGCDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC/C=C/c1ccc(N(C)C)cc1 ZINC001648914653 1082420246 /nfs/dbraw/zinc/42/02/46/1082420246.db2.gz WZVXPLKZHCFKQL-GNLKBHMISA-N 1 1 315.505 3.476 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001137532073 1083255982 /nfs/dbraw/zinc/25/59/82/1083255982.db2.gz JJWZVGBBJPDAJO-UHFFFAOYSA-N 1 1 311.429 3.322 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(O)c1 ZINC001182128267 1083624598 /nfs/dbraw/zinc/62/45/98/1083624598.db2.gz SQSJAYAVJSQCPU-QZTJIDSGSA-N 1 1 317.429 3.243 20 10 DGCDMO COc1cc(C)c(C[N@@H+]2CCOc3cc(F)ccc3C2)c(O)c1 ZINC001183158450 1083895281 /nfs/dbraw/zinc/89/52/81/1083895281.db2.gz XIRUSHBUVQDYFC-UHFFFAOYSA-N 1 1 317.360 3.243 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCOc3cc(F)ccc3C2)c(O)c1 ZINC001183158450 1083895293 /nfs/dbraw/zinc/89/52/93/1083895293.db2.gz XIRUSHBUVQDYFC-UHFFFAOYSA-N 1 1 317.360 3.243 20 10 DGCDMO C[C@]1(C[NH2+]Cc2cc(F)c(F)cc2O)OCCc2ccccc21 ZINC001183519885 1083957736 /nfs/dbraw/zinc/95/77/36/1083957736.db2.gz GZLCZLPUUDDPSW-GOSISDBHSA-N 1 1 319.351 3.248 20 10 DGCDMO CCCSC[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001183532116 1083972302 /nfs/dbraw/zinc/97/23/02/1083972302.db2.gz AKZHFUQGSZICKR-INIZCTEOSA-N 1 1 321.534 3.060 20 10 DGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001203635966 1084630789 /nfs/dbraw/zinc/63/07/89/1084630789.db2.gz LIBCEFHRULRLNV-GFCCVEGCSA-N 1 1 302.187 3.479 20 10 DGCDMO Cc1cccnc1N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203647993 1084709085 /nfs/dbraw/zinc/70/90/85/1084709085.db2.gz AZWJIQXQXZYRNN-UHFFFAOYSA-N 1 1 317.820 3.071 20 10 DGCDMO [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742050 1085889909 /nfs/dbraw/zinc/88/99/09/1085889909.db2.gz GTRRDHFUVJGEGV-UHFFFAOYSA-N 1 1 312.816 3.150 20 10 DGCDMO [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742050 1085889916 /nfs/dbraw/zinc/88/99/16/1085889916.db2.gz GTRRDHFUVJGEGV-UHFFFAOYSA-N 1 1 312.816 3.150 20 10 DGCDMO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c3cccnc3c2O)CCO1 ZINC001168079086 1086746783 /nfs/dbraw/zinc/74/67/83/1086746783.db2.gz OLAVPZSHPSEZTN-ZYHUDNBSSA-N 1 1 306.793 3.251 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@](C)(CO)C2)cc1F ZINC000093340751 1087087864 /nfs/dbraw/zinc/08/78/64/1087087864.db2.gz UOHSCFNUHNTPIU-SFHVURJKSA-N 1 1 308.441 3.266 20 10 DGCDMO C[C@H]1C(=O)CCN(Cc2cc(F)c(F)cc2[O-])C12CCCC2 ZINC001142534397 1087279780 /nfs/dbraw/zinc/27/97/80/1087279780.db2.gz IBOBSVTXIXXCAU-NSHDSACASA-N 1 1 309.356 3.394 20 10 DGCDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2ccc(N)cc2)CC1 ZINC001120370861 1087573102 /nfs/dbraw/zinc/57/31/02/1087573102.db2.gz HSGIEYOBHUFMJZ-CQSZACIVSA-N 1 1 301.459 3.209 20 10 DGCDMO COC1(C)CC[NH+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233415951 1087661141 /nfs/dbraw/zinc/66/11/41/1087661141.db2.gz PRRDXCBBZWYABP-UHFFFAOYSA-N 1 1 303.324 3.412 20 10 DGCDMO CC[C@@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2cc(C)ccc2O)C1=O ZINC001272623264 1088330367 /nfs/dbraw/zinc/33/03/67/1088330367.db2.gz YOBZNSMGWOKPCG-BEFAXECRSA-N 1 1 316.445 3.066 20 10 DGCDMO CN(C)c1ccc(CN(C)c2ccc(C[N@@H+](C)C3CC3)cn2)cc1 ZINC001156921108 1089745810 /nfs/dbraw/zinc/74/58/10/1089745810.db2.gz SRGFFWLTJUOIQF-UHFFFAOYSA-N 1 1 324.472 3.378 20 10 DGCDMO CC(C)(C)c1ccc(NCCc2cc(O)c(O)cc2O)[nH+]c1 ZINC001157247697 1089891673 /nfs/dbraw/zinc/89/16/73/1089891673.db2.gz XHTHTPTXNCXCFM-UHFFFAOYSA-N 1 1 302.374 3.151 20 10 DGCDMO COCCC1CC[NH+](Cc2ccc(OC)c(Cl)c2O)CC1 ZINC001236812624 1089976059 /nfs/dbraw/zinc/97/60/59/1089976059.db2.gz DWUDLEWSKQPSAB-UHFFFAOYSA-N 1 1 313.825 3.303 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2Cl)CC[C@H]1O ZINC001237078139 1090283433 /nfs/dbraw/zinc/28/34/33/1090283433.db2.gz OLDVRVQBZXJYPI-BXKDBHETSA-N 1 1 304.217 3.292 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)CC[C@H]1O ZINC001237078139 1090283434 /nfs/dbraw/zinc/28/34/34/1090283434.db2.gz OLDVRVQBZXJYPI-BXKDBHETSA-N 1 1 304.217 3.292 20 10 DGCDMO CC[N@@H+](Cc1ccc(CC(=O)OC)cc1)Cc1ccccc1O ZINC001142910946 1090522637 /nfs/dbraw/zinc/52/26/37/1090522637.db2.gz UURFYCTZXAVJRE-UHFFFAOYSA-N 1 1 313.397 3.130 20 10 DGCDMO COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1ccccc1O)C2 ZINC001203558683 1090616405 /nfs/dbraw/zinc/61/64/05/1090616405.db2.gz VHEOUICXFYXQHN-OAHLLOKOSA-N 1 1 313.397 3.181 20 10 DGCDMO COc1ccc(N2CC[NH+](Cc3ccc(C)o3)CC2)c(C)c1 ZINC001203300212 1090715863 /nfs/dbraw/zinc/71/58/63/1090715863.db2.gz CIDKOPRHTJFWMF-UHFFFAOYSA-N 1 1 300.402 3.227 20 10 DGCDMO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1O ZINC001203547547 1090753301 /nfs/dbraw/zinc/75/33/01/1090753301.db2.gz PWLBJPSASOTRLU-OAHLLOKOSA-N 1 1 314.404 3.238 20 10 DGCDMO COc1ccc(C[N@H+]2CCOC[C@H]2C2CCCCC2)c(O)c1 ZINC001203634531 1090770138 /nfs/dbraw/zinc/77/01/38/1090770138.db2.gz KOSSUPUWHMYWKA-KRWDZBQOSA-N 1 1 305.418 3.182 20 10 DGCDMO Cc1ccc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)nc1 ZINC001203658504 1090774818 /nfs/dbraw/zinc/77/48/18/1090774818.db2.gz YOXUYAWMVPFDNV-UHFFFAOYSA-N 1 1 317.820 3.071 20 10 DGCDMO Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665433 1090776220 /nfs/dbraw/zinc/77/62/20/1090776220.db2.gz JUDSMXOIPDYIMC-OAHLLOKOSA-N 1 1 318.804 3.402 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c1 ZINC001203680059 1090779257 /nfs/dbraw/zinc/77/92/57/1090779257.db2.gz BFOWVCPBGJMMKI-CQSZACIVSA-N 1 1 321.417 3.097 20 10 DGCDMO Oc1ccc(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)cc1O ZINC001203882788 1090826593 /nfs/dbraw/zinc/82/65/93/1090826593.db2.gz VMGJCESDWYLFGV-OAHLLOKOSA-N 1 1 316.426 3.250 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@](O)(C(F)(F)F)C2)cc1 ZINC001203930707 1090841049 /nfs/dbraw/zinc/84/10/49/1090841049.db2.gz FCYWKHQQHBNSLP-OAHLLOKOSA-N 1 1 316.367 3.032 20 10 DGCDMO CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC001203936367 1090843636 /nfs/dbraw/zinc/84/36/36/1090843636.db2.gz MKOSRYAEVZXGOI-NVXWUHKLSA-N 1 1 318.461 3.164 20 10 DGCDMO Cc1ccn2cc(C[N@@H+](C)Cc3ccc(N(C)C)cc3)nc2c1 ZINC001203936824 1090843859 /nfs/dbraw/zinc/84/38/59/1090843859.db2.gz OTJIXSIESHIASV-UHFFFAOYSA-N 1 1 308.429 3.341 20 10 DGCDMO Cc1ccn2cc(C[N@H+](C)Cc3ccc(N(C)C)cc3)nc2c1 ZINC001203936824 1090843862 /nfs/dbraw/zinc/84/38/62/1090843862.db2.gz OTJIXSIESHIASV-UHFFFAOYSA-N 1 1 308.429 3.341 20 10 DGCDMO CCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203937638 1090844027 /nfs/dbraw/zinc/84/40/27/1090844027.db2.gz IIQADHNSDNHZGY-OAHLLOKOSA-N 1 1 314.433 3.078 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](CC)CCn2ccnc2)cc1 ZINC001203945467 1090847248 /nfs/dbraw/zinc/84/72/48/1090847248.db2.gz MPIVSOJKKUHVAH-UHFFFAOYSA-N 1 1 300.450 3.251 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@@H]([N@@H+](C)C(C)C)C2)cc1 ZINC001203946823 1090847850 /nfs/dbraw/zinc/84/78/50/1090847850.db2.gz XPIUZTOHAKZUHW-LJQANCHMSA-N 1 1 303.494 3.447 20 10 DGCDMO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(C)(C)C)ccc1O ZINC001276445500 1090911556 /nfs/dbraw/zinc/91/15/56/1090911556.db2.gz NRYMVUOMESPWPY-ALOPSCKCSA-N 1 1 302.462 3.405 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](N(C)C)C2)c2ccccc21 ZINC001204240744 1090932360 /nfs/dbraw/zinc/93/23/60/1090932360.db2.gz CNRYQDYZZBHANE-QGZVFWFLSA-N 1 1 311.473 3.432 20 10 DGCDMO CN(C)c1ccc(CN2CCC[C@@H]([NH+](C)C)C2)c2ccccc21 ZINC001204240744 1090932364 /nfs/dbraw/zinc/93/23/64/1090932364.db2.gz CNRYQDYZZBHANE-QGZVFWFLSA-N 1 1 311.473 3.432 20 10 DGCDMO CCN1C[C@@H]2C[NH+](Cc3ccc(N(C)C)c4ccccc34)C[C@H]2C1 ZINC001204241016 1090932532 /nfs/dbraw/zinc/93/25/32/1090932532.db2.gz RIBSYOHEFXLEPW-QZTJIDSGSA-N 1 1 323.484 3.289 20 10 DGCDMO COc1ccc(C2=CC[N@@H+](Cc3ccc(O)cc3O)CC2)cc1 ZINC001204277789 1090938134 /nfs/dbraw/zinc/93/81/34/1090938134.db2.gz LZADYDATUROMJE-UHFFFAOYSA-N 1 1 311.381 3.396 20 10 DGCDMO Oc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c(O)c1 ZINC001204275217 1090938317 /nfs/dbraw/zinc/93/83/17/1090938317.db2.gz ZMIUVFFHGKMYTR-DKSSEZFCSA-N 1 1 317.429 3.125 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC001204327420 1090949117 /nfs/dbraw/zinc/94/91/17/1090949117.db2.gz SSQUBAIIPAQOKB-UHFFFAOYSA-N 1 1 300.446 3.289 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC001204327378 1090949313 /nfs/dbraw/zinc/94/93/13/1090949313.db2.gz RPFOWQZPPNNUSB-FQEVSTJZSA-N 1 1 313.489 3.347 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC001204327378 1090949316 /nfs/dbraw/zinc/94/93/16/1090949316.db2.gz RPFOWQZPPNNUSB-FQEVSTJZSA-N 1 1 313.489 3.347 20 10 DGCDMO CCC[N@H+](CC(=O)OCC)Cc1ccc(N2CCCC2)cc1 ZINC001204328976 1090950864 /nfs/dbraw/zinc/95/08/64/1090950864.db2.gz WIQZJBQWOWVDRF-UHFFFAOYSA-N 1 1 304.434 3.062 20 10 DGCDMO CCC[N@@H+](CC(=O)OCC)Cc1ccc(N2CCCC2)cc1 ZINC001204328976 1090950868 /nfs/dbraw/zinc/95/08/68/1090950868.db2.gz WIQZJBQWOWVDRF-UHFFFAOYSA-N 1 1 304.434 3.062 20 10 DGCDMO CCCNC(=O)C[N@@H+](CCC)Cc1cc(C(C)C)ccc1O ZINC001204721713 1091022631 /nfs/dbraw/zinc/02/26/31/1091022631.db2.gz NLZDYKUKBJHLOH-UHFFFAOYSA-N 1 1 306.450 3.254 20 10 DGCDMO OCC[N@@H+](CCc1ccccc1)Cc1ccc(Cl)cc1O ZINC001204816783 1091041471 /nfs/dbraw/zinc/04/14/71/1091041471.db2.gz NHHDRACJNXJKEV-UHFFFAOYSA-N 1 1 305.805 3.083 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC001205101132 1091101882 /nfs/dbraw/zinc/10/18/82/1091101882.db2.gz OFRACHJROCJJPA-OXUXSNCKSA-N 1 1 316.489 3.495 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCC[C@H]1O ZINC001138215577 1091118892 /nfs/dbraw/zinc/11/88/92/1091118892.db2.gz JYDATQNHJLIVKB-QFBILLFUSA-N 1 1 302.462 3.270 20 10 DGCDMO CC[NH+]1C[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C1 ZINC001138222301 1091120407 /nfs/dbraw/zinc/12/04/07/1091120407.db2.gz QVFWLKSLYOESHH-OALUTQOASA-N 1 1 313.489 3.060 20 10 DGCDMO CN(C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138220833 1091120420 /nfs/dbraw/zinc/12/04/20/1091120420.db2.gz PAJNYDCGUPTPBM-UYAOXDASSA-N 1 1 313.489 3.060 20 10 DGCDMO CN(C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138220833 1091120425 /nfs/dbraw/zinc/12/04/25/1091120425.db2.gz PAJNYDCGUPTPBM-UYAOXDASSA-N 1 1 313.489 3.060 20 10 DGCDMO Cc1c(C[N@H+]2CCc3c(cc[nH]c3=O)C2)c2ccccc2n1C ZINC001138260213 1091127577 /nfs/dbraw/zinc/12/75/77/1091127577.db2.gz ZCLWUBHGESOGPK-UHFFFAOYSA-N 1 1 307.397 3.146 20 10 DGCDMO Oc1c(C[N@H+]2CCc3occc3C2)cc2c3c1CCCN3CCC2 ZINC001138341967 1091147507 /nfs/dbraw/zinc/14/75/07/1091147507.db2.gz NGSRVTXRWASKIG-UHFFFAOYSA-N 1 1 324.424 3.242 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CC[C@@H]4OCCC[C@@H]4C3)ccc21 ZINC001138354252 1091150194 /nfs/dbraw/zinc/15/01/94/1091150194.db2.gz CDVDXZILOQACOP-MJGOQNOKSA-N 1 1 300.446 3.070 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)CCC[C@@]1(C)O ZINC001138354345 1091150691 /nfs/dbraw/zinc/15/06/91/1091150691.db2.gz GIDCZNQYBAJPSD-DNVCBOLYSA-N 1 1 302.462 3.052 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CC[C@H](c4cccnc4)C3)ccc21 ZINC001138358426 1091152813 /nfs/dbraw/zinc/15/28/13/1091152813.db2.gz RBNXDRGFSAHQDC-IBGZPJMESA-N 1 1 307.441 3.454 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@]3(CCCO3)C2)c(OC)c1 ZINC001138385851 1091161261 /nfs/dbraw/zinc/16/12/61/1091161261.db2.gz AXRPEOYMQLWUEC-LJQANCHMSA-N 1 1 318.461 3.296 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)c(OC)c1 ZINC001138386864 1091163666 /nfs/dbraw/zinc/16/36/66/1091163666.db2.gz YKNAWPGRTGUIGR-HNNXBMFYSA-N 1 1 318.461 3.342 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC(=O)[C@@H](C)C2)c(OC)c1 ZINC001138386864 1091163679 /nfs/dbraw/zinc/16/36/79/1091163679.db2.gz YKNAWPGRTGUIGR-HNNXBMFYSA-N 1 1 318.461 3.342 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)c(OC)c1 ZINC001138386891 1091164019 /nfs/dbraw/zinc/16/40/19/1091164019.db2.gz ZGGZANFHYGHWSF-LJQANCHMSA-N 1 1 318.461 3.154 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCCOC2)c(OC)c1 ZINC001138392030 1091165681 /nfs/dbraw/zinc/16/56/81/1091165681.db2.gz MXWAVXKLHSQVMH-KRWDZBQOSA-N 1 1 306.450 3.152 20 10 DGCDMO FC(F)[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138498801 1091205694 /nfs/dbraw/zinc/20/56/94/1091205694.db2.gz GYEWFWINOAZOBZ-HNNXBMFYSA-N 1 1 310.388 3.000 20 10 DGCDMO CCCc1noc([C@H]2CCC[N@H+](Cc3c(O)cccc3F)C2)n1 ZINC001137838457 1091214129 /nfs/dbraw/zinc/21/41/29/1091214129.db2.gz AJKDYEPRGLWRGJ-LBPRGKRZSA-N 1 1 319.380 3.246 20 10 DGCDMO CCCc1noc([C@H]2CCC[N@@H+](Cc3c(O)cccc3F)C2)n1 ZINC001137838457 1091214134 /nfs/dbraw/zinc/21/41/34/1091214134.db2.gz AJKDYEPRGLWRGJ-LBPRGKRZSA-N 1 1 319.380 3.246 20 10 DGCDMO [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001205578513 1091264813 /nfs/dbraw/zinc/26/48/13/1091264813.db2.gz DQLAGXXWCYPYRM-CQSZACIVSA-N 1 1 321.223 3.352 20 10 DGCDMO C[C@H]1CC[C@H](CN)[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205817851 1091364136 /nfs/dbraw/zinc/36/41/36/1091364136.db2.gz RPXRHJOUSMIICY-QFBILLFUSA-N 1 1 301.478 3.236 20 10 DGCDMO C[C@H]1CC[C@H](CN)[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205817851 1091364143 /nfs/dbraw/zinc/36/41/43/1091364143.db2.gz RPXRHJOUSMIICY-QFBILLFUSA-N 1 1 301.478 3.236 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206163893 1091516328 /nfs/dbraw/zinc/51/63/28/1091516328.db2.gz HGGDAETVBFKNTR-OALUTQOASA-N 1 1 315.436 3.355 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(CN2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206163893 1091516343 /nfs/dbraw/zinc/51/63/43/1091516343.db2.gz HGGDAETVBFKNTR-OALUTQOASA-N 1 1 315.436 3.355 20 10 DGCDMO CN1CCN(c2ccc(C[NH+]3CC(c4ccccc4)C3)cc2)CC1 ZINC001139412833 1091550973 /nfs/dbraw/zinc/55/09/73/1091550973.db2.gz PISFDHZXLFYMHA-UHFFFAOYSA-N 1 1 321.468 3.038 20 10 DGCDMO Cc1ccc(NC(=O)C[NH2+]Cc2cccc(F)c2O)c(Cl)c1 ZINC001206365708 1091602028 /nfs/dbraw/zinc/60/20/28/1091602028.db2.gz FOFOMCRXGROYHD-UHFFFAOYSA-N 1 1 322.767 3.221 20 10 DGCDMO CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(N(C)C)c(C)c3)C[C@@H]21 ZINC001139671951 1091637912 /nfs/dbraw/zinc/63/79/12/1091637912.db2.gz QDGBEQFIVQRKND-ZIFCJYIRSA-N 1 1 302.462 3.308 20 10 DGCDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)[C@@H]1C ZINC001139672732 1091638566 /nfs/dbraw/zinc/63/85/66/1091638566.db2.gz DEMLCBKLFHJXEM-WBVHZDCISA-N 1 1 318.461 3.225 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)ccc1N(C)C ZINC001139674163 1091640172 /nfs/dbraw/zinc/64/01/72/1091640172.db2.gz SEMFKZPTJWBEHB-SFHVURJKSA-N 1 1 311.429 3.109 20 10 DGCDMO COC(=O)c1cccc2[nH]cc(C[N@@H+](C)Cc3ccccc3O)c21 ZINC001139720765 1091653334 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DGCDMO CN(C1CC1)[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286766 1098276123 /nfs/dbraw/zinc/27/61/23/1098276123.db2.gz ICZZTUCBPXEZEA-QGZVFWFLSA-N 1 1 302.462 3.358 20 10 DGCDMO C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286766 1098276129 /nfs/dbraw/zinc/27/61/29/1098276129.db2.gz ICZZTUCBPXEZEA-QGZVFWFLSA-N 1 1 302.462 3.358 20 10 DGCDMO C[N@@H+](C1CC1)[C@@H]1CCN(Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286766 1098276135 /nfs/dbraw/zinc/27/61/35/1098276135.db2.gz ICZZTUCBPXEZEA-QGZVFWFLSA-N 1 1 302.462 3.358 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c1O ZINC001233287676 1098278475 /nfs/dbraw/zinc/27/84/75/1098278475.db2.gz CASBEPOUECGWID-MEDUHNTESA-N 1 1 313.825 3.037 20 10 DGCDMO Oc1cccc2c1C[N@H+](Cc1cnc3cccc(Cl)n13)CC2 ZINC001233359763 1098301880 /nfs/dbraw/zinc/30/18/80/1098301880.db2.gz KZDSEVZHNMYMIH-UHFFFAOYSA-N 1 1 313.788 3.252 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1cnc3cccc(Cl)n13)CC2 ZINC001233359763 1098301886 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C[C@@H]1CC[C@](CO)([NH2+]Cc2cccc(F)c2O)c2ccccc21 ZINC001308984019 1111505151 /nfs/dbraw/zinc/50/51/51/1111505151.db2.gz DOYHUCWORPQPMB-BFUOFWGJSA-N 1 1 315.388 3.406 20 10 DGCDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(N2CCCCC2)cc1 ZINC000092437651 185318469 /nfs/dbraw/zinc/31/84/69/185318469.db2.gz YKVSJBLPTVROEK-UHFFFAOYSA-N 1 1 312.461 3.433 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192607279 283297085 /nfs/dbraw/zinc/29/70/85/283297085.db2.gz YGEGFORKTZDCPI-ZDUSSCGKSA-N 1 1 301.390 3.169 20 10 DGCDMO CCC[N@@H+](Cc1cc(C(=O)OC)co1)Cc1ccccc1O ZINC000170779106 432080633 /nfs/dbraw/zinc/08/06/33/432080633.db2.gz GHSBPMJSRQCHFQ-UHFFFAOYSA-N 1 1 303.358 3.184 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1O ZINC000170789512 432081899 /nfs/dbraw/zinc/08/18/99/432081899.db2.gz ACJQWNXEHUPMRA-WDEREUQCSA-N 1 1 320.330 3.066 20 10 DGCDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc3c(cc2O)OCO3)s1 ZINC000093275635 193223712 /nfs/dbraw/zinc/22/37/12/193223712.db2.gz 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CCOc1cccc(C[N@@H+](CCCO)Cc2ccccc2)c1O ZINC000093102115 400226889 /nfs/dbraw/zinc/22/68/89/400226889.db2.gz NXINYTOLTVZEAS-UHFFFAOYSA-N 1 1 315.413 3.176 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000191256100 432240508 /nfs/dbraw/zinc/24/05/08/432240508.db2.gz FCOXRRBXMZOCPV-JTQLQIEISA-N 1 1 309.772 3.287 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000191256100 432240511 /nfs/dbraw/zinc/24/05/11/432240511.db2.gz FCOXRRBXMZOCPV-JTQLQIEISA-N 1 1 309.772 3.287 20 10 DGCDMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000109770513 431177177 /nfs/dbraw/zinc/17/71/77/431177177.db2.gz ZTEDLBBKZZIQFG-OAHLLOKOSA-N 1 1 312.413 3.468 20 10 DGCDMO C[N@@H+](CC[C@@H]1CCOC1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000120057613 431720787 /nfs/dbraw/zinc/72/07/87/431720787.db2.gz FFBVEBQFPULDAK-QGZVFWFLSA-N 1 1 316.445 3.062 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1O ZINC000120056713 431721345 /nfs/dbraw/zinc/72/13/45/431721345.db2.gz RSLNKMZLUUDDCV-UHFFFAOYSA-N 1 1 315.369 3.152 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000121784729 431805985 /nfs/dbraw/zinc/80/59/85/431805985.db2.gz NDWCZZZIMXZNIQ-HNNXBMFYSA-N 1 1 322.412 3.123 20 10 DGCDMO CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000037644074 431848621 /nfs/dbraw/zinc/84/86/21/431848621.db2.gz XJYGRUUNUPDMPC-JTQLQIEISA-N 1 1 303.233 3.130 20 10 DGCDMO CCCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c(O)c1 ZINC000093644672 431915931 /nfs/dbraw/zinc/91/59/31/431915931.db2.gz MBCAUUZWXDFRJQ-ZBFHGGJFSA-N 1 1 306.450 3.096 20 10 DGCDMO CN(C)c1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683332 431916847 /nfs/dbraw/zinc/91/68/47/431916847.db2.gz ZUBSSYLRSLPKBH-GOSISDBHSA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](COCCOC)C2)cc1 ZINC000093755619 431917219 /nfs/dbraw/zinc/91/72/19/431917219.db2.gz NUJGZAXMRDVCRT-GOSISDBHSA-N 1 1 320.477 3.018 20 10 DGCDMO C[N@@H+](CCOCC1CC1)Cc1cc(Br)ccc1O ZINC000093818436 431917932 /nfs/dbraw/zinc/91/79/32/431917932.db2.gz MZLFXZFHNBBOGI-UHFFFAOYSA-N 1 1 314.223 3.013 20 10 DGCDMO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000125996650 431940327 /nfs/dbraw/zinc/94/03/27/431940327.db2.gz LMILMFWHGZNEJL-KDOFPFPSSA-N 1 1 311.429 3.020 20 10 DGCDMO Cc1nccn1CCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000270706115 432279438 /nfs/dbraw/zinc/27/94/38/432279438.db2.gz YXBFHHBNQBHKIK-UHFFFAOYSA-N 1 1 312.461 3.312 20 10 DGCDMO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)[C@H](C)C1 ZINC000183515041 432298946 /nfs/dbraw/zinc/29/89/46/432298946.db2.gz KVLBRBOPCKJWIC-RYRKJORJSA-N 1 1 320.477 3.180 20 10 DGCDMO Cc1[nH+]c(N2CCOCC2)ccc1N[C@H](C)c1ccccc1O ZINC000183705461 432317873 /nfs/dbraw/zinc/31/78/73/432317873.db2.gz QIOLUIANDCONHU-CYBMUJFWSA-N 1 1 313.401 3.105 20 10 DGCDMO CC(C)[N@@H+](Cc1cnc2cnccn12)Cc1ccc(N(C)C)cc1 ZINC000271097179 432328768 /nfs/dbraw/zinc/32/87/68/432328768.db2.gz ZWBOHBCSESQACY-UHFFFAOYSA-N 1 1 323.444 3.206 20 10 DGCDMO Cc1nc2sccn2c1C[N@H+](C)Cc1cc(C)ccc1O ZINC000271176041 432346763 /nfs/dbraw/zinc/34/67/63/432346763.db2.gz WTSXWJLAZNTQIW-UHFFFAOYSA-N 1 1 301.415 3.350 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Cl)c(Cl)cc1O ZINC000192650602 432396395 /nfs/dbraw/zinc/39/63/95/432396395.db2.gz APWVOUJQMONQJU-PRHODGIISA-N 1 1 317.216 3.018 20 10 DGCDMO CCOCc1cc(C[NH2+][C@@H](CCO)c2ccco2)ccc1OC ZINC000184500092 432397834 /nfs/dbraw/zinc/39/78/34/432397834.db2.gz CWGRBTAOONYQEI-INIZCTEOSA-N 1 1 319.401 3.038 20 10 DGCDMO Cc1cccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000192927281 432429920 /nfs/dbraw/zinc/42/99/20/432429920.db2.gz QPWZGIRNNVAHEI-SFHVURJKSA-N 1 1 310.441 3.312 20 10 DGCDMO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(Cl)c(Cl)cc1O ZINC000192927470 432431106 /nfs/dbraw/zinc/43/11/06/432431106.db2.gz MNBXYAFRWKAIPN-OQPBUACISA-N 1 1 322.257 3.218 20 10 DGCDMO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000271545058 432420831 /nfs/dbraw/zinc/42/08/31/432420831.db2.gz ZAFUPCLDCVDECW-PXAZEXFGSA-N 1 1 320.383 3.415 20 10 DGCDMO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000271545066 432421058 /nfs/dbraw/zinc/42/10/58/432421058.db2.gz ZAFUPCLDCVDECW-SJKOYZFVSA-N 1 1 320.383 3.415 20 10 DGCDMO Cc1ccc(O)c([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000185206424 432477623 /nfs/dbraw/zinc/47/76/23/432477623.db2.gz NBPPNTJKIWOKNP-IXDOHACOSA-N 1 1 320.477 3.241 20 10 DGCDMO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cc(F)ccc1O ZINC000273465839 432602113 /nfs/dbraw/zinc/60/21/13/432602113.db2.gz IUJOVISOBYFWLL-LKFCYVNXSA-N 1 1 311.303 3.194 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(F)cc1O ZINC000273475447 432602705 /nfs/dbraw/zinc/60/27/05/432602705.db2.gz SSCMWJKGXZCUKI-CZUORRHYSA-N 1 1 303.377 3.176 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@H](c3ccccc3)C2)cc1OC ZINC000160034929 432705602 /nfs/dbraw/zinc/70/56/02/432705602.db2.gz WEWKLHCZIDRSOB-HNNXBMFYSA-N 1 1 313.397 3.399 20 10 DGCDMO Cc1ccoc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160195956 432710360 /nfs/dbraw/zinc/71/03/60/432710360.db2.gz RFCAHVGIXOOETA-MRXNPFEDSA-N 1 1 301.386 3.475 20 10 DGCDMO C[N@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccccc1O ZINC000189107526 432763049 /nfs/dbraw/zinc/76/30/49/432763049.db2.gz QZZUTHAXEVQNEU-UHFFFAOYSA-N 1 1 313.332 3.213 20 10 DGCDMO C[N@@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccccc1O ZINC000189107526 432763054 /nfs/dbraw/zinc/76/30/54/432763054.db2.gz QZZUTHAXEVQNEU-UHFFFAOYSA-N 1 1 313.332 3.213 20 10 DGCDMO CCOc1cc(C[N@@H+](C)Cc2ccccc2O)ccc1[N+](=O)[O-] ZINC000276952818 432828143 /nfs/dbraw/zinc/82/81/43/432828143.db2.gz UNMJUPVSGHGMMP-UHFFFAOYSA-N 1 1 316.357 3.331 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1C ZINC000278308850 432891302 /nfs/dbraw/zinc/89/13/02/432891302.db2.gz DZCURHBOQYNGRC-IUODEOHRSA-N 1 1 317.351 3.144 20 10 DGCDMO Oc1ccccc1C[N@@H+](C[C@@H]1CCSC1)C[C@@H]1CCCO1 ZINC000278392290 432892967 /nfs/dbraw/zinc/89/29/67/432892967.db2.gz AIXXADAQSIIVRB-HOCLYGCPSA-N 1 1 307.459 3.126 20 10 DGCDMO Cc1ccc([C@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(O)c1 ZINC000296621251 432924323 /nfs/dbraw/zinc/92/43/23/432924323.db2.gz WXBJLPMLWOFEGC-HRCADAONSA-N 1 1 324.424 3.043 20 10 DGCDMO COC[C@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)OC ZINC000278643729 432898553 /nfs/dbraw/zinc/89/85/53/432898553.db2.gz HQCOQQPMYJLEDF-BDAKNGLRSA-N 1 1 308.205 3.011 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H](C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000278917736 432917004 /nfs/dbraw/zinc/91/70/04/432917004.db2.gz UKSDULNMNGNLFF-JTQLQIEISA-N 1 1 322.386 3.091 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000289641125 432971051 /nfs/dbraw/zinc/97/10/51/432971051.db2.gz SMSMROOPPZMUEQ-ZWKOTPCHSA-N 1 1 300.446 3.286 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1C ZINC000289699177 432971551 /nfs/dbraw/zinc/97/15/51/432971551.db2.gz ONQIFPFUUHOWGF-UONOGXRCSA-N 1 1 317.351 3.002 20 10 DGCDMO Cc1noc([C@H]2CCCC[N@@H+]2Cc2cc(C)c(C)cc2O)n1 ZINC000289749918 432972637 /nfs/dbraw/zinc/97/26/37/432972637.db2.gz JDDNWLYZHFTINE-OAHLLOKOSA-N 1 1 301.390 3.428 20 10 DGCDMO Cc1noc([C@H]2CCCC[N@H+]2Cc2cc(C)c(C)cc2O)n1 ZINC000289749918 432972639 /nfs/dbraw/zinc/97/26/39/432972639.db2.gz JDDNWLYZHFTINE-OAHLLOKOSA-N 1 1 301.390 3.428 20 10 DGCDMO C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000279497735 432975969 /nfs/dbraw/zinc/97/59/69/432975969.db2.gz MGGGYPDSSMWGEQ-OAHLLOKOSA-N 1 1 321.428 3.184 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000290452489 433054516 /nfs/dbraw/zinc/05/45/16/433054516.db2.gz MLXQQZYLPVEZGJ-INIZCTEOSA-N 1 1 315.417 3.468 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1O ZINC000373472900 433154645 /nfs/dbraw/zinc/15/46/45/433154645.db2.gz GOLKYWPVOXPCJH-MEBBXXQBSA-N 1 1 311.809 3.054 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1O ZINC000373472900 433154658 /nfs/dbraw/zinc/15/46/58/433154658.db2.gz GOLKYWPVOXPCJH-MEBBXXQBSA-N 1 1 311.809 3.054 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)c1 ZINC000373175200 433113242 /nfs/dbraw/zinc/11/32/42/433113242.db2.gz FQEIHOYAMHGNKU-QGZVFWFLSA-N 1 1 315.417 3.170 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O ZINC000290952986 433212261 /nfs/dbraw/zinc/21/22/61/433212261.db2.gz QULHPIITXSCJEE-SJLPKXTDSA-N 1 1 317.429 3.324 20 10 DGCDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000281169368 433266883 /nfs/dbraw/zinc/26/68/83/433266883.db2.gz QKTCGECMFKHGHA-HNNXBMFYSA-N 1 1 315.417 3.344 20 10 DGCDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cccc(OC)c1O ZINC000281169368 433266894 /nfs/dbraw/zinc/26/68/94/433266894.db2.gz QKTCGECMFKHGHA-HNNXBMFYSA-N 1 1 315.417 3.344 20 10 DGCDMO CCCC[N@@H+](Cc1ncnn1CC(C)C)Cc1ccccc1O ZINC000282354125 433577347 /nfs/dbraw/zinc/57/73/47/433577347.db2.gz CVEGMUKCHDNUFF-UHFFFAOYSA-N 1 1 316.449 3.442 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)[C@@H](C)C1 ZINC000282371586 433583432 /nfs/dbraw/zinc/58/34/32/433583432.db2.gz QHTDCJBPYCYUML-GWCFXTLKSA-N 1 1 314.223 3.154 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H](O)c1ccccc1 ZINC000293966679 433946149 /nfs/dbraw/zinc/94/61/49/433946149.db2.gz QHRIYNIWLGROMM-MGPLVRAMSA-N 1 1 309.768 3.396 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1n1ccnc1 ZINC000294434595 434112241 /nfs/dbraw/zinc/11/22/41/434112241.db2.gz XNEGPKNLIXEQKY-ABAIWWIYSA-N 1 1 323.799 3.464 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1n1ccnc1 ZINC000294434595 434112253 /nfs/dbraw/zinc/11/22/53/434112253.db2.gz XNEGPKNLIXEQKY-ABAIWWIYSA-N 1 1 323.799 3.464 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2nnc(C(C)C)[nH]2)cc1 ZINC000294694780 434128903 /nfs/dbraw/zinc/12/89/03/434128903.db2.gz CQDCLFFDJIQMLI-UHFFFAOYSA-N 1 1 301.438 3.064 20 10 DGCDMO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294764490 434142280 /nfs/dbraw/zinc/14/22/80/434142280.db2.gz SILMEDSWXCROCO-ZDUSSCGKSA-N 1 1 309.772 3.085 20 10 DGCDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1)C(N)=O ZINC000294866882 434149664 /nfs/dbraw/zinc/14/96/64/434149664.db2.gz UIOHMZILSOETSO-GFCCVEGCSA-N 1 1 324.852 3.159 20 10 DGCDMO CC1(C)C[C@@H](O)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295331609 434312750 /nfs/dbraw/zinc/31/27/50/434312750.db2.gz XPPDETJCTJKRAN-NSHDSACASA-N 1 1 301.789 3.168 20 10 DGCDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295331609 434312761 /nfs/dbraw/zinc/31/27/61/434312761.db2.gz XPPDETJCTJKRAN-NSHDSACASA-N 1 1 301.789 3.168 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000368211262 434567720 /nfs/dbraw/zinc/56/77/20/434567720.db2.gz CUSGEGWBHBEPNB-LKFCYVNXSA-N 1 1 321.323 3.463 20 10 DGCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C1CC1 ZINC000368665182 434580292 /nfs/dbraw/zinc/58/02/92/434580292.db2.gz CCYRNHOMHITIJP-SFHVURJKSA-N 1 1 300.446 3.144 20 10 DGCDMO COc1cc(Cl)cc(CN2CCCC23CC[NH+](C)CC3)c1O ZINC000368948954 434584855 /nfs/dbraw/zinc/58/48/55/434584855.db2.gz FXTATXUBLGVNJQ-UHFFFAOYSA-N 1 1 324.852 3.114 20 10 DGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000370675773 434618709 /nfs/dbraw/zinc/61/87/09/434618709.db2.gz FBZQVDYKSJHZAK-KVSKMBFKSA-N 1 1 301.478 3.420 20 10 DGCDMO CCN(C)c1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000370675773 434618713 /nfs/dbraw/zinc/61/87/13/434618713.db2.gz FBZQVDYKSJHZAK-KVSKMBFKSA-N 1 1 301.478 3.420 20 10 DGCDMO CCN(C)c1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000370675773 434618718 /nfs/dbraw/zinc/61/87/18/434618718.db2.gz FBZQVDYKSJHZAK-KVSKMBFKSA-N 1 1 301.478 3.420 20 10 DGCDMO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000372412867 434823173 /nfs/dbraw/zinc/82/31/73/434823173.db2.gz AIKQPYPNPNUBPE-OAHLLOKOSA-N 1 1 322.836 3.023 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC(F)(F)C[C@H]2C)c1O ZINC000528769773 435028472 /nfs/dbraw/zinc/02/84/72/435028472.db2.gz SRDXWEYTLKDFAW-SECBINFHSA-N 1 1 301.308 3.354 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC(F)(F)C[C@H]2C)c1O ZINC000528769773 435028478 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COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCSCC(C)C)c1 ZINC000756775793 621663832 /nfs/dbraw/zinc/66/38/32/621663832.db2.gz KLGKORZUNFXHNU-LBPRGKRZSA-N 1 1 311.447 3.219 20 10 DGCDMO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)C2 ZINC000756774575 621663894 /nfs/dbraw/zinc/66/38/94/621663894.db2.gz KBKWPFHDYNPMJO-BXUZGUMPSA-N 1 1 317.360 3.194 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000756887128 621670322 /nfs/dbraw/zinc/67/03/22/621670322.db2.gz MWMNGURSNYHQMX-BBRMVZONSA-N 1 1 319.445 3.396 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1O ZINC000756900526 621671578 /nfs/dbraw/zinc/67/15/78/621671578.db2.gz FKTDVKQLVXLGOT-MLGOLLRUSA-N 1 1 323.820 3.249 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1O ZINC000756900526 621671579 /nfs/dbraw/zinc/67/15/79/621671579.db2.gz FKTDVKQLVXLGOT-MLGOLLRUSA-N 1 1 323.820 3.249 20 10 DGCDMO CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000863543432 621682218 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CC(C)[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768437806 622455528 /nfs/dbraw/zinc/45/55/28/622455528.db2.gz IKCSKMOWLBAMGG-GOSISDBHSA-N 1 1 313.397 3.229 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H]2c2cc(C)no2)c(O)cc1C ZINC000768438986 622455561 /nfs/dbraw/zinc/45/55/61/622455561.db2.gz DSDWYQWYNFKRFJ-AWEZNQCLSA-N 1 1 302.374 3.343 20 10 DGCDMO CCc1ccc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768437965 622455601 /nfs/dbraw/zinc/45/56/01/622455601.db2.gz LOHDTICFSOIXGA-GOSISDBHSA-N 1 1 313.397 3.012 20 10 DGCDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000768443048 622456079 /nfs/dbraw/zinc/45/60/79/622456079.db2.gz YBQMOZWONSGMHX-RHSMWYFYSA-N 1 1 324.424 3.145 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+](C1CC1)C1CCCCC1)[C@H](O)CO2 ZINC000768439230 622456122 /nfs/dbraw/zinc/45/61/22/622456122.db2.gz JBLKKOHSCPDWGZ-QGZVFWFLSA-N 1 1 303.402 3.115 20 10 DGCDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444547 622456251 /nfs/dbraw/zinc/45/62/51/622456251.db2.gz 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COc1cccc(O)c1C[N@@H+](C)Cc1c(C)nc2sccn21 ZINC000769306602 622515686 /nfs/dbraw/zinc/51/56/86/622515686.db2.gz AOHIPKCCQLFOLE-UHFFFAOYSA-N 1 1 317.414 3.050 20 10 DGCDMO CCOc1ccc(C[N@@H+](CCCO)Cc2ccccc2)c(O)c1 ZINC000769325761 622517591 /nfs/dbraw/zinc/51/75/91/622517591.db2.gz AQYZYMSEMRHHRK-UHFFFAOYSA-N 1 1 315.413 3.176 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000769397255 622524365 /nfs/dbraw/zinc/52/43/65/622524365.db2.gz OFOSGEMQMHHQQM-AWEZNQCLSA-N 1 1 320.433 3.142 20 10 DGCDMO CCOc1cccc(C[N@H+](C)[C@H]2CCN(CC)[C@H](C)C2)c1O ZINC000769470055 622530954 /nfs/dbraw/zinc/53/09/54/622530954.db2.gz JIDRSGLZVGVYHW-ZBFHGGJFSA-N 1 1 306.450 3.096 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)[C@H]2CCN(CC)[C@H](C)C2)c1O ZINC000769470055 622530956 /nfs/dbraw/zinc/53/09/56/622530956.db2.gz JIDRSGLZVGVYHW-ZBFHGGJFSA-N 1 1 306.450 3.096 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1O ZINC000769485200 622532821 /nfs/dbraw/zinc/53/28/21/622532821.db2.gz LUFRJDUVELMBIS-SFHVURJKSA-N 1 1 305.418 3.184 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)[C@@H](CC)CN1C(C)=O ZINC000769499192 622534462 /nfs/dbraw/zinc/53/44/62/622534462.db2.gz YJOVVNAERUKSDY-ZWKOTPCHSA-N 1 1 318.461 3.230 20 10 DGCDMO CCOc1ccc(C[N@@H+](CCOC)Cc2ccc(C)o2)c(O)c1 ZINC000769502197 622535064 /nfs/dbraw/zinc/53/50/64/622535064.db2.gz WKOPSHWACBGEBL-UHFFFAOYSA-N 1 1 319.401 3.341 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000769513669 622536676 /nfs/dbraw/zinc/53/66/76/622536676.db2.gz FJUQBNOZNXYQIB-UHFFFAOYSA-N 1 1 305.418 3.326 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@@H+](C)C[C@@H](C)C(=O)NC)cc1 ZINC000769570143 622541265 /nfs/dbraw/zinc/54/12/65/622541265.db2.gz XGGGECKSKIXVKI-MRXNPFEDSA-N 1 1 319.493 3.127 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)Cc2cc(Cl)cn2C)c(O)c1 ZINC000770304964 622619870 /nfs/dbraw/zinc/61/98/70/622619870.db2.gz ODRNLVQGVCZCRL-UHFFFAOYSA-N 1 1 308.809 3.415 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000770319736 622620890 /nfs/dbraw/zinc/62/08/90/622620890.db2.gz BGCYEBNKSIWDPJ-CJNGLKHVSA-N 1 1 317.385 3.082 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770665022 622657864 /nfs/dbraw/zinc/65/78/64/622657864.db2.gz NLYIPHDJWUNMCA-IBGZPJMESA-N 1 1 311.381 3.032 20 10 DGCDMO CCC[N@H+](CC(=O)OC)Cc1cc(-c2ccccc2)ccc1O ZINC000771934637 622820344 /nfs/dbraw/zinc/82/03/44/622820344.db2.gz BSTVYFZPDIZWKK-UHFFFAOYSA-N 1 1 313.397 3.444 20 10 DGCDMO CCC[N@@H+](CC(=O)OC)Cc1cc(-c2ccccc2)ccc1O ZINC000771934637 622820346 /nfs/dbraw/zinc/82/03/46/622820346.db2.gz BSTVYFZPDIZWKK-UHFFFAOYSA-N 1 1 313.397 3.444 20 10 DGCDMO CCn1nc(C)c(C[N@@H+](C)Cc2cc(C)c(C)cc2O)c1C ZINC000872632459 622945341 /nfs/dbraw/zinc/94/53/41/622945341.db2.gz RRDWOCTVHLAKEX-UHFFFAOYSA-N 1 1 301.434 3.474 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1C(C)C ZINC000872725335 622960290 /nfs/dbraw/zinc/96/02/90/622960290.db2.gz RSLOWICQZYQYLT-MAUKXSAKSA-N 1 1 302.462 3.350 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1C(C)C ZINC000872725335 622960296 /nfs/dbraw/zinc/96/02/96/622960296.db2.gz RSLOWICQZYQYLT-MAUKXSAKSA-N 1 1 302.462 3.350 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000872721925 622960761 /nfs/dbraw/zinc/96/07/61/622960761.db2.gz PMMLCVCSVLXDTH-KBPBESRZSA-N 1 1 300.427 3.125 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)c1O ZINC000872804264 622982441 /nfs/dbraw/zinc/98/24/41/622982441.db2.gz JCIYPBBVVXUASU-AWEZNQCLSA-N 1 1 303.324 3.484 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c1O ZINC000872804268 622982469 /nfs/dbraw/zinc/98/24/69/622982469.db2.gz JCIYPBBVVXUASU-CQSZACIVSA-N 1 1 303.324 3.484 20 10 DGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H]2C)c1O ZINC000124299510 622994861 /nfs/dbraw/zinc/99/48/61/622994861.db2.gz RHSCEOBIXVAUAN-SECBINFHSA-N 1 1 300.196 3.148 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2CC(=O)OC)cc1 ZINC000773747909 623066287 /nfs/dbraw/zinc/06/62/87/623066287.db2.gz KYRLEMMQRHBVLT-KRWDZBQOSA-N 1 1 304.434 3.060 20 10 DGCDMO CCN(C)c1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000773752822 623067896 /nfs/dbraw/zinc/06/78/96/623067896.db2.gz KJMJYAYQJFNXDD-LJQANCHMSA-N 1 1 315.505 3.451 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000773802505 623073108 /nfs/dbraw/zinc/07/31/08/623073108.db2.gz VOBBRSHYHXSQIZ-VQIMIIECSA-N 1 1 312.461 3.422 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCOc2cc(N)ccc2C1 ZINC000873218276 623077780 /nfs/dbraw/zinc/07/77/80/623077780.db2.gz BCFYIIFGCXFKMA-UHFFFAOYSA-N 1 1 311.429 3.038 20 10 DGCDMO COc1c([O-])c(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774836645 623197295 /nfs/dbraw/zinc/19/72/95/623197295.db2.gz UDDUOTWLWUGDRA-WCQYABFASA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774836645 623197297 /nfs/dbraw/zinc/19/72/97/623197297.db2.gz UDDUOTWLWUGDRA-WCQYABFASA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774836645 623197299 /nfs/dbraw/zinc/19/72/99/623197299.db2.gz UDDUOTWLWUGDRA-WCQYABFASA-N 1 1 308.378 3.320 20 10 DGCDMO CC[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000774883698 623205116 /nfs/dbraw/zinc/20/51/16/623205116.db2.gz ISBFWLGXDPMZRM-INIZCTEOSA-N 1 1 308.378 3.321 20 10 DGCDMO CC[C@@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000774883698 623205118 /nfs/dbraw/zinc/20/51/18/623205118.db2.gz ISBFWLGXDPMZRM-INIZCTEOSA-N 1 1 308.378 3.321 20 10 DGCDMO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000775023797 623217300 /nfs/dbraw/zinc/21/73/00/623217300.db2.gz MDIXZIKHQBMSCJ-YPMHNXCESA-N 1 1 308.378 3.367 20 10 DGCDMO COc1c(O)c(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000775028252 623218397 /nfs/dbraw/zinc/21/83/97/623218397.db2.gz OPZYWSMLCIWXSH-QWRGUYRKSA-N 1 1 308.378 3.223 20 10 DGCDMO CCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCCC1 ZINC000775035393 623219074 /nfs/dbraw/zinc/21/90/74/623219074.db2.gz ZAQZZZFCRCPEST-UHFFFAOYSA-N 1 1 308.378 3.369 20 10 DGCDMO COc1c(O)c(C[NH2+][C@H]2CCCCC2(C)C)ccc1[N+](=O)[O-] ZINC000775036824 623219181 /nfs/dbraw/zinc/21/91/81/623219181.db2.gz FZOHHVBHHDHMKX-ZDUSSCGKSA-N 1 1 308.378 3.367 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000775056115 623222271 /nfs/dbraw/zinc/22/22/71/623222271.db2.gz VTWMANYEGBFTAV-YUTCNCBUSA-N 1 1 320.389 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000775056115 623222273 /nfs/dbraw/zinc/22/22/73/623222273.db2.gz VTWMANYEGBFTAV-YUTCNCBUSA-N 1 1 320.389 3.320 20 10 DGCDMO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)C1 ZINC000775582694 623293879 /nfs/dbraw/zinc/29/38/79/623293879.db2.gz XPBLAHUDKHBNBZ-UPJWGTAASA-N 1 1 324.396 3.049 20 10 DGCDMO Cc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000775649368 623303518 /nfs/dbraw/zinc/30/35/18/623303518.db2.gz OUSWKSMBJGZZMH-OAHLLOKOSA-N 1 1 320.433 3.142 20 10 DGCDMO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775650297 623305387 /nfs/dbraw/zinc/30/53/87/623305387.db2.gz YAOKGEUQKUUFNX-INIZCTEOSA-N 1 1 313.445 3.224 20 10 DGCDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775650297 623305390 /nfs/dbraw/zinc/30/53/90/623305390.db2.gz YAOKGEUQKUUFNX-INIZCTEOSA-N 1 1 313.445 3.224 20 10 DGCDMO CCN(CC)CC[N@H+](Cc1cc(OC)ccc1O)CC(C)C ZINC000775656353 623306056 /nfs/dbraw/zinc/30/60/56/623306056.db2.gz FONGHTGYYUQSKJ-UHFFFAOYSA-N 1 1 308.466 3.201 20 10 DGCDMO CC[NH+](CC)CCN(Cc1cc(OC)ccc1O)CC(C)C ZINC000775656353 623306062 /nfs/dbraw/zinc/30/60/62/623306062.db2.gz FONGHTGYYUQSKJ-UHFFFAOYSA-N 1 1 308.466 3.201 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](NC(=O)C(C)C)C2)c1O ZINC000775667194 623309933 /nfs/dbraw/zinc/30/99/33/623309933.db2.gz FAFMVRQTEURIJI-OAHLLOKOSA-N 1 1 324.852 3.091 20 10 DGCDMO CN1CCN(c2ccc(C[NH+]3CCC(C)(C)CC3)cc2)CC1 ZINC000775678706 623312387 /nfs/dbraw/zinc/31/23/87/623312387.db2.gz INJXUUMKLWGAFM-UHFFFAOYSA-N 1 1 301.478 3.060 20 10 DGCDMO CC[N@@H+](Cc1cccc(C)c1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000775695585 623314374 /nfs/dbraw/zinc/31/43/74/623314374.db2.gz NWESAYPVRVQBMK-GOSISDBHSA-N 1 1 324.424 3.328 20 10 DGCDMO CC[C@@H](C)C[N@H+](CC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775732577 623321260 /nfs/dbraw/zinc/32/12/60/623321260.db2.gz OYTNKJVBAKRNNM-QGZVFWFLSA-N 1 1 303.494 3.306 20 10 DGCDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775732577 623321267 /nfs/dbraw/zinc/32/12/67/623321267.db2.gz OYTNKJVBAKRNNM-QGZVFWFLSA-N 1 1 303.494 3.306 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000775969632 623358415 /nfs/dbraw/zinc/35/84/15/623358415.db2.gz YMONDFKVLIQLKS-UONOGXRCSA-N 1 1 320.433 3.222 20 10 DGCDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000776012677 623363456 /nfs/dbraw/zinc/36/34/56/623363456.db2.gz IPWVUHSOKOGNNH-KOLCDFICSA-N 1 1 317.307 3.284 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCOCC3(CCCC3)C2)cc1F ZINC000776010089 623363743 /nfs/dbraw/zinc/36/37/43/623363743.db2.gz XRKBAFUGBNIOKP-UHFFFAOYSA-N 1 1 306.425 3.284 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000776767599 623461290 /nfs/dbraw/zinc/46/12/90/623461290.db2.gz DWWIFYDVGGWMCX-IBGZPJMESA-N 1 1 315.388 3.242 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000777220980 623506321 /nfs/dbraw/zinc/50/63/21/623506321.db2.gz WZUULJQUZYEFQW-NSHDSACASA-N 1 1 312.841 3.089 20 10 DGCDMO CC(C)(C)[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000790410271 625650010 /nfs/dbraw/zinc/65/00/10/625650010.db2.gz BNQARCUXTUNGQY-QGZVFWFLSA-N 1 1 300.402 3.187 20 10 DGCDMO COCC[N@@H+](Cc1cc(C)cc(OC)c1O)[C@@H]1CC[C@@H](C)C1 ZINC000790479519 625659529 /nfs/dbraw/zinc/65/95/29/625659529.db2.gz PHKOVLBQNBJJQH-CZUORRHYSA-N 1 1 307.434 3.346 20 10 DGCDMO CC[C@H](C)[C@@H](C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000876551290 623641658 /nfs/dbraw/zinc/64/16/58/623641658.db2.gz OLWFFJGUMGYYLU-QFBILLFUSA-N 1 1 320.477 3.016 20 10 DGCDMO COC(=O)c1cc(C[N@@H+](C)Cc2c(C)cccc2O)oc1C ZINC000876555365 623642788 /nfs/dbraw/zinc/64/27/88/623642788.db2.gz VOLQBIZDEAFISD-UHFFFAOYSA-N 1 1 303.358 3.021 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](C[C@@](C)(OC)C3CC3)CC2)cc1 ZINC000876630799 623664674 /nfs/dbraw/zinc/66/46/74/623664674.db2.gz KZAJLNKDYVFNMA-LJQANCHMSA-N 1 1 318.461 3.022 20 10 DGCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876643107 623667919 /nfs/dbraw/zinc/66/79/19/623667919.db2.gz UGSNFGSPXPYOQN-INIZCTEOSA-N 1 1 302.462 3.270 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](OC)C1CCOCC1 ZINC000876654404 623671496 /nfs/dbraw/zinc/67/14/96/623671496.db2.gz FEMDNFWCAPDIIW-GOSISDBHSA-N 1 1 307.434 3.046 20 10 DGCDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876658285 623672512 /nfs/dbraw/zinc/67/25/12/623672512.db2.gz RRQAOKASFWLAEY-CVEARBPZSA-N 1 1 318.461 3.217 20 10 DGCDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876748066 623695516 /nfs/dbraw/zinc/69/55/16/623695516.db2.gz ULGVRTPLDXSCOZ-DOTOQJQBSA-N 1 1 302.462 3.268 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000876745781 623695707 /nfs/dbraw/zinc/69/57/07/623695707.db2.gz LSORQTMHMVMLQT-JKSUJKDBSA-N 1 1 302.462 3.126 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000876807468 623711497 /nfs/dbraw/zinc/71/14/97/623711497.db2.gz FASODUOLSUIYHP-PBHICJAKSA-N 1 1 301.386 3.382 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(O)c1 ZINC000876809186 623712611 /nfs/dbraw/zinc/71/26/11/623712611.db2.gz XEOYFNXIRGUXIR-WBVHZDCISA-N 1 1 301.386 3.382 20 10 DGCDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000779000413 623719829 /nfs/dbraw/zinc/71/98/29/623719829.db2.gz VIIZHNZFPLBWCK-VBQJREDUSA-N 1 1 306.425 3.369 20 10 DGCDMO Cc1ccc(CNc2cccc(C[NH+]3CCOCC3)c2)c(O)c1 ZINC000876851509 623728001 /nfs/dbraw/zinc/72/80/01/623728001.db2.gz KNWWCOIIRNIXLO-UHFFFAOYSA-N 1 1 312.413 3.145 20 10 DGCDMO C[C@H]1[C@H](C)[N@@H+](Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC000779105768 623730047 /nfs/dbraw/zinc/73/00/47/623730047.db2.gz FJWCSVNYZVPOAW-KBPBESRZSA-N 1 1 320.433 3.222 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c(O)c1 ZINC000779187882 623740067 /nfs/dbraw/zinc/74/00/67/623740067.db2.gz AOULLGVRSVNNAI-QGZVFWFLSA-N 1 1 305.418 3.182 20 10 DGCDMO CC1=C[C@H](C)C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877494645 623910839 /nfs/dbraw/zinc/91/08/39/623910839.db2.gz RTYJXDGMSKHGML-HNNXBMFYSA-N 1 1 300.446 3.046 20 10 DGCDMO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877528340 623925808 /nfs/dbraw/zinc/92/58/08/623925808.db2.gz YDWSEWDECAPZAU-OAHLLOKOSA-N 1 1 316.401 3.097 20 10 DGCDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531909 623927110 /nfs/dbraw/zinc/92/71/10/623927110.db2.gz ROBPSGBQKDDEEQ-INIZCTEOSA-N 1 1 322.518 3.221 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000877590479 623954956 /nfs/dbraw/zinc/95/49/56/623954956.db2.gz ZYFFHFQQLLHNKC-FQEVSTJZSA-N 1 1 323.392 3.311 20 10 DGCDMO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877672645 623987347 /nfs/dbraw/zinc/98/73/47/623987347.db2.gz JOWUOEWHJZDJLD-IAGOWNOFSA-N 1 1 301.361 3.229 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1F ZINC000780892552 623994284 /nfs/dbraw/zinc/99/42/84/623994284.db2.gz LIIIWFFRTVURPZ-GDBMZVCRSA-N 1 1 308.441 3.265 20 10 DGCDMO COc1ccc([C@H]2C[N@@H+](Cc3cc(C)ccc3O)CCO2)cc1 ZINC000877757674 624024222 /nfs/dbraw/zinc/02/42/22/624024222.db2.gz QRINSYUCEVWPHX-LJQANCHMSA-N 1 1 313.397 3.283 20 10 DGCDMO Cc1ccc(C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)c(O)c1 ZINC000877764281 624027773 /nfs/dbraw/zinc/02/77/73/624027773.db2.gz YVVSVXHTYWMQHO-KRWDZBQOSA-N 1 1 309.413 3.080 20 10 DGCDMO CC(C)(O)[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000877796607 624037858 /nfs/dbraw/zinc/03/78/58/624037858.db2.gz KHCADOQXTAAERC-SNVBAGLBSA-N 1 1 301.789 3.168 20 10 DGCDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000877796607 624037863 /nfs/dbraw/zinc/03/78/63/624037863.db2.gz KHCADOQXTAAERC-SNVBAGLBSA-N 1 1 301.789 3.168 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@]2(C)CCCO2)c1 ZINC000781631893 624110127 /nfs/dbraw/zinc/11/01/27/624110127.db2.gz CWWFIGJIBRQYGP-CQSZACIVSA-N 1 1 314.223 3.122 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCCSC2)c1 ZINC000781917764 624170443 /nfs/dbraw/zinc/17/04/43/624170443.db2.gz HCVNYFFZFZBDHN-NSHDSACASA-N 1 1 316.264 3.448 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)CC1(O)CCCCC1 ZINC000878152796 624192119 /nfs/dbraw/zinc/19/21/19/624192119.db2.gz YQNNRPZGDSPSDD-KRWDZBQOSA-N 1 1 321.461 3.050 20 10 DGCDMO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000805734111 624285020 /nfs/dbraw/zinc/28/50/20/624285020.db2.gz XNJQMAQDMMDELZ-UHFFFAOYSA-N 1 1 313.445 3.405 20 10 DGCDMO C[C@@H]([NH2+]Cc1cn(C)nn1)c1ccc(N2CCCCCC2)cc1 ZINC000783531735 624362609 /nfs/dbraw/zinc/36/26/09/624362609.db2.gz FDQWZTDPSAHXOU-OAHLLOKOSA-N 1 1 313.449 3.046 20 10 DGCDMO c1c[nH]c([C@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000127393142 624377472 /nfs/dbraw/zinc/37/74/72/624377472.db2.gz YZKPCTNNPPPMLG-LJQANCHMSA-N 1 1 311.429 3.188 20 10 DGCDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000784679222 624570207 /nfs/dbraw/zinc/57/02/07/624570207.db2.gz HJXPAORZEIGOPD-UHFFFAOYSA-N 1 1 310.441 3.362 20 10 DGCDMO CC(C)CO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000879648200 624621351 /nfs/dbraw/zinc/62/13/51/624621351.db2.gz DPKAHNZQRGQHFZ-CHWSQXEVSA-N 1 1 319.405 3.360 20 10 DGCDMO CCn1ncnc1C[N@@H+](Cc1ccccc1O)C1CCCCC1 ZINC000785692704 624714400 /nfs/dbraw/zinc/71/44/00/624714400.db2.gz HPVYYURMLJTQJS-UHFFFAOYSA-N 1 1 314.433 3.339 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c1O ZINC000787288725 624997304 /nfs/dbraw/zinc/99/73/04/624997304.db2.gz BKIMKDJDMBQHLI-HNNXBMFYSA-N 1 1 316.376 3.278 20 10 DGCDMO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788646179 625235190 /nfs/dbraw/zinc/23/51/90/625235190.db2.gz BKDRZJFGDLXNQG-QWRGUYRKSA-N 1 1 313.323 3.347 20 10 DGCDMO C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788692752 625244600 /nfs/dbraw/zinc/24/46/00/625244600.db2.gz PURYQPKLMQOKQM-NSHDSACASA-N 1 1 314.351 3.324 20 10 DGCDMO C[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)N1CCC[C@@H](C)C1 ZINC000790948008 625720171 /nfs/dbraw/zinc/72/01/71/625720171.db2.gz CXXROVPITFBOCN-NEPJUHHUSA-N 1 1 314.832 3.395 20 10 DGCDMO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790966411 625724461 /nfs/dbraw/zinc/72/44/61/625724461.db2.gz OJGXXLPPQSDWMW-NHYWBVRUSA-N 1 1 323.795 3.439 20 10 DGCDMO Cc1ccccc1[C@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790970158 625725586 /nfs/dbraw/zinc/72/55/86/625725586.db2.gz BDDMSKLJCGAMBR-AWEZNQCLSA-N 1 1 309.768 3.316 20 10 DGCDMO CC[C@@]1([NH2+]Cc2cc(C)cc(Br)c2O)CCOC1 ZINC000791005714 625736301 /nfs/dbraw/zinc/73/63/01/625736301.db2.gz XGMDGHRXNTWKJM-CQSZACIVSA-N 1 1 314.223 3.122 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1COc2ccccc2C1 ZINC000882880609 625843177 /nfs/dbraw/zinc/84/31/77/625843177.db2.gz AQIOHUOAUANYTD-NSHDSACASA-N 1 1 305.324 3.011 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc2c(c1)OCO2 ZINC000882885189 625845429 /nfs/dbraw/zinc/84/54/29/625845429.db2.gz NFNOQJSDJXHPIM-VIFPVBQESA-N 1 1 307.296 3.250 20 10 DGCDMO CN(C)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1F ZINC000882943300 625868690 /nfs/dbraw/zinc/86/86/90/625868690.db2.gz MHCMZBJEJDHELA-UHFFFAOYSA-N 1 1 310.319 3.165 20 10 DGCDMO C[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883079489 625919018 /nfs/dbraw/zinc/91/90/18/625919018.db2.gz VTHGHLNFPXBRJP-BZNIZROVSA-N 1 1 307.340 3.272 20 10 DGCDMO COCC1(C)CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792173948 625919821 /nfs/dbraw/zinc/91/98/21/625919821.db2.gz MLRMDIKNPXESEE-UHFFFAOYSA-N 1 1 301.789 3.433 20 10 DGCDMO CCC(CC)(C[NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)OC ZINC000792174679 625920855 /nfs/dbraw/zinc/92/08/55/625920855.db2.gz YZFMMBULVWGATP-UHFFFAOYSA-N 1 1 317.788 3.254 20 10 DGCDMO Cc1ccnc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000792247957 625930887 /nfs/dbraw/zinc/93/08/87/625930887.db2.gz BKYPCJRIURLQOB-GOSISDBHSA-N 1 1 312.413 3.277 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000883127099 625934880 /nfs/dbraw/zinc/93/48/80/625934880.db2.gz LNPRVOUKACQJBZ-CYBMUJFWSA-N 1 1 322.330 3.178 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000883136084 625940001 /nfs/dbraw/zinc/94/00/01/625940001.db2.gz ULTGOXJRTQYQMS-ZBFHGGJFSA-N 1 1 320.339 3.075 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000883136957 625941051 /nfs/dbraw/zinc/94/10/51/625941051.db2.gz SQTJPEBNDMZKOP-CZUORRHYSA-N 1 1 320.339 3.075 20 10 DGCDMO COc1cccc([C@H](C[NH2+]Cc2cc(F)cc(F)c2O)OC)c1 ZINC000883184655 625959159 /nfs/dbraw/zinc/95/91/59/625959159.db2.gz BNLOWNGTAGFKBS-INIZCTEOSA-N 1 1 323.339 3.156 20 10 DGCDMO COc1ccc([C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C2CC2)cn1 ZINC000883192101 625964484 /nfs/dbraw/zinc/96/44/84/625964484.db2.gz QUAHFTRSAZZISG-INIZCTEOSA-N 1 1 320.339 3.315 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1O ZINC000796735949 626077853 /nfs/dbraw/zinc/07/78/53/626077853.db2.gz BCHONCGTRYXNIP-YPMHNXCESA-N 1 1 320.330 3.209 20 10 DGCDMO CC[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(F)cc1O ZINC000796790818 626083357 /nfs/dbraw/zinc/08/33/57/626083357.db2.gz WABREGQLBSQYHV-GDBMZVCRSA-N 1 1 312.454 3.009 20 10 DGCDMO CC[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(F)cc1O ZINC000796789657 626083465 /nfs/dbraw/zinc/08/34/65/626083465.db2.gz OULDPADCDPLELM-MRXNPFEDSA-N 1 1 322.424 3.363 20 10 DGCDMO CC[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O ZINC000796791791 626083583 /nfs/dbraw/zinc/08/35/83/626083583.db2.gz CNCOKMSXDRZETD-AWEZNQCLSA-N 1 1 324.396 3.191 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(F)cc1O ZINC000797131399 626116834 /nfs/dbraw/zinc/11/68/34/626116834.db2.gz GBRRZZIMBCFZDQ-VERVWZFWSA-N 1 1 321.417 3.261 20 10 DGCDMO COc1ccccc1-n1nccc1C[N@@H+](C)Cc1ccccc1O ZINC000797590001 626156352 /nfs/dbraw/zinc/15/63/52/626156352.db2.gz UDXDBDSZCBASQB-UHFFFAOYSA-N 1 1 323.396 3.219 20 10 DGCDMO Oc1ccc(F)cc1C[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000797604038 626159192 /nfs/dbraw/zinc/15/91/92/626159192.db2.gz FHMLBVZZCMQZEB-UHFFFAOYSA-N 1 1 303.230 3.378 20 10 DGCDMO C[C@@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)C[C@H](C)O ZINC000798184622 626200824 /nfs/dbraw/zinc/20/08/24/626200824.db2.gz ZKJSHMNAELDDAY-OUAUKWLOSA-N 1 1 305.340 3.469 20 10 DGCDMO C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C[C@H](C)O ZINC000798184623 626200954 /nfs/dbraw/zinc/20/09/54/626200954.db2.gz ZKJSHMNAELDDAY-VWYCJHECSA-N 1 1 305.340 3.469 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2ccnn2C)c(O)c1 ZINC000798960267 626262961 /nfs/dbraw/zinc/26/29/61/626262961.db2.gz DOQSHZPBWPEXRK-KRWDZBQOSA-N 1 1 315.417 3.252 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCCO1 ZINC000799162362 626276491 /nfs/dbraw/zinc/27/64/91/626276491.db2.gz RGTRBTSVLZJHNZ-HNNXBMFYSA-N 1 1 307.434 3.396 20 10 DGCDMO C[C@H]1C[C@H]([NH2+]Cc2ncnn2C(C)(C)C)c2c1c(F)ccc2O ZINC000800500071 626364680 /nfs/dbraw/zinc/36/46/80/626364680.db2.gz PPHKPLPTQWVXOE-JQWIXIFHSA-N 1 1 318.396 3.216 20 10 DGCDMO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)no1 ZINC000800502363 626365397 /nfs/dbraw/zinc/36/53/97/626365397.db2.gz AQKNIYYCGVNEIH-LSDHHAIUSA-N 1 1 315.417 3.231 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@](F)(c3ccccc3)C1)OCO2 ZINC000800858537 626379833 /nfs/dbraw/zinc/37/98/33/626379833.db2.gz AEUZFZLOFRKUBJ-SFHVURJKSA-N 1 1 315.344 3.192 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N[C@H](C)CC ZINC000801598171 626411845 /nfs/dbraw/zinc/41/18/45/626411845.db2.gz WOONZYLKLBJXSM-HUUCEWRRSA-N 1 1 306.450 3.298 20 10 DGCDMO C[N@@H+](CCSC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000801911559 626424956 /nfs/dbraw/zinc/42/49/56/626424956.db2.gz MKXVTOGNLMFEEW-UHFFFAOYSA-N 1 1 322.518 3.487 20 10 DGCDMO COc1c(O)c(C[NH2+][C@H](C)c2ccsc2)ccc1[N+](=O)[O-] ZINC000802654210 626565265 /nfs/dbraw/zinc/56/52/65/626565265.db2.gz FFTZVCNCYRMSOL-SECBINFHSA-N 1 1 308.359 3.221 20 10 DGCDMO COc1ccc2c(c1)OCC[N@H+](Cc1cc(C)cc(C)c1O)C2 ZINC000802744975 626569338 /nfs/dbraw/zinc/56/93/38/626569338.db2.gz XFHRDUPVAVVLQL-UHFFFAOYSA-N 1 1 313.397 3.412 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(F)cc1O ZINC000883276742 626634001 /nfs/dbraw/zinc/63/40/01/626634001.db2.gz OXYSJWBSXBJEMU-CZUORRHYSA-N 1 1 307.365 3.016 20 10 DGCDMO CC[C@@H](c1ccncc1)[N@@H+](CC)Cc1cc2c(cc1O)OCO2 ZINC000131514446 626646689 /nfs/dbraw/zinc/64/66/89/626646689.db2.gz OMLGGDFGZADKTJ-HNNXBMFYSA-N 1 1 314.385 3.489 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](C)N(C)[C@@H](C)C3)c2c1 ZINC000840090634 626754425 /nfs/dbraw/zinc/75/44/25/626754425.db2.gz REZFFUAWSVORGB-OKILXGFUSA-N 1 1 314.429 3.078 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000840095851 626757965 /nfs/dbraw/zinc/75/79/65/626757965.db2.gz JFWSTRYPDSNXQW-RBUKOAKNSA-N 1 1 310.397 3.084 20 10 DGCDMO COC[C@]1(C)CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840105991 626763550 /nfs/dbraw/zinc/76/35/50/626763550.db2.gz HGSNXVWNLZPVJD-GOSISDBHSA-N 1 1 307.434 3.254 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O ZINC000840113626 626767536 /nfs/dbraw/zinc/76/75/36/626767536.db2.gz FRTHIOFOSXFAQI-BBWFWOEESA-N 1 1 319.445 3.225 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)CCC2 ZINC000840117929 626770596 /nfs/dbraw/zinc/77/05/96/626770596.db2.gz CKBSOATVDBTAGZ-KSZLIROESA-N 1 1 301.430 3.006 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1O ZINC000840141472 626837955 /nfs/dbraw/zinc/83/79/55/626837955.db2.gz BYSINTHHSFHQQS-QGZVFWFLSA-N 1 1 307.459 3.428 20 10 DGCDMO C[C@@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccc(F)cc1O ZINC000808729138 626854836 /nfs/dbraw/zinc/85/48/36/626854836.db2.gz HPZXXGLOIMUARK-QMTHXVAHSA-N 1 1 305.324 3.325 20 10 DGCDMO C[C@H]([NH2+][C@H]1COc2ccc(F)cc2C1)c1ccc(F)cc1O ZINC000808729137 626854911 /nfs/dbraw/zinc/85/49/11/626854911.db2.gz HPZXXGLOIMUARK-IINYFYTJSA-N 1 1 305.324 3.325 20 10 DGCDMO COc1cc(C[N@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c(O)cc1C ZINC000840143657 626857127 /nfs/dbraw/zinc/85/71/27/626857127.db2.gz WERQOAUXDSAHEL-SJORKVTESA-N 1 1 305.418 3.099 20 10 DGCDMO CC(C)(C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000840148804 626868782 /nfs/dbraw/zinc/86/87/82/626868782.db2.gz ANTOCHDWFMQVFW-BLLLJJGKSA-N 1 1 305.418 3.076 20 10 DGCDMO COc1ccc2c(c1)CCCN2Cc1ncc(C[NH+](C)C)s1 ZINC000809635166 626930233 /nfs/dbraw/zinc/93/02/33/626930233.db2.gz DUHRYUSFPYAHHW-UHFFFAOYSA-N 1 1 317.458 3.166 20 10 DGCDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000809692152 626937441 /nfs/dbraw/zinc/93/74/41/626937441.db2.gz XZBUVUCSEATNQR-MRXNPFEDSA-N 1 1 320.433 3.110 20 10 DGCDMO CC[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2)C[C@H](C)[S@]1=O ZINC000809700621 626938864 /nfs/dbraw/zinc/93/88/64/626938864.db2.gz KRHNUBSMTWAHBF-QXATTWAWSA-N 1 1 322.518 3.264 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2)C[C@H](C)[S@]1=O ZINC000809700621 626938869 /nfs/dbraw/zinc/93/88/69/626938869.db2.gz KRHNUBSMTWAHBF-QXATTWAWSA-N 1 1 322.518 3.264 20 10 DGCDMO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(Cl)cc(F)c1O ZINC000809703953 626939241 /nfs/dbraw/zinc/93/92/41/626939241.db2.gz SEIPMMOIBRPFRA-RISCZKNCSA-N 1 1 312.816 3.243 20 10 DGCDMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C)ccc1O ZINC000809723332 626942087 /nfs/dbraw/zinc/94/20/87/626942087.db2.gz HALKAMFIDFMLLN-INIZCTEOSA-N 1 1 320.433 3.143 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](CCN(C)C)Cc2cccc(F)c2)c1 ZINC000809738038 626944198 /nfs/dbraw/zinc/94/41/98/626944198.db2.gz QBDYKZJNXWTCPP-UHFFFAOYSA-N 1 1 316.420 3.404 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+](CCN(C)C)Cc2cccc(F)c2)c1 ZINC000809738038 626944201 /nfs/dbraw/zinc/94/42/01/626944201.db2.gz QBDYKZJNXWTCPP-UHFFFAOYSA-N 1 1 316.420 3.404 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)cc1F ZINC000809750553 626946561 /nfs/dbraw/zinc/94/65/61/626946561.db2.gz AAEMGZQFFNHYGV-CQSZACIVSA-N 1 1 322.346 3.027 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)cc1F ZINC000809750553 626946564 /nfs/dbraw/zinc/94/65/64/626946564.db2.gz AAEMGZQFFNHYGV-CQSZACIVSA-N 1 1 322.346 3.027 20 10 DGCDMO CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809757429 626947101 /nfs/dbraw/zinc/94/71/01/626947101.db2.gz SQPCOISBMCAXND-UHFFFAOYSA-N 1 1 302.821 3.348 20 10 DGCDMO CCC(CC)[N@H+](CC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809787526 626953115 /nfs/dbraw/zinc/95/31/15/626953115.db2.gz GZZZUXIIXFAGDL-UHFFFAOYSA-N 1 1 303.494 3.449 20 10 DGCDMO CCC(CC)[N@@H+](CC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809787526 626953118 /nfs/dbraw/zinc/95/31/18/626953118.db2.gz GZZZUXIIXFAGDL-UHFFFAOYSA-N 1 1 303.494 3.449 20 10 DGCDMO COCc1nc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)cs1 ZINC000810253656 626993472 /nfs/dbraw/zinc/99/34/72/626993472.db2.gz ZONXRIMDJFNDKR-CABZTGNLSA-N 1 1 322.405 3.472 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C[C@H]2C[C@]23CCOC3)C2CC2)cc1 ZINC000885960772 627070668 /nfs/dbraw/zinc/07/06/68/627070668.db2.gz PHBWCFSUJZJTAL-APWZRJJASA-N 1 1 300.446 3.144 20 10 DGCDMO C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1c(O)cccc1F ZINC000886508551 627154546 /nfs/dbraw/zinc/15/45/46/627154546.db2.gz DPHBTLTUURYHPR-LBPRGKRZSA-N 1 1 308.397 3.021 20 10 DGCDMO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2c(O)cccc2F)c1 ZINC000886514636 627155576 /nfs/dbraw/zinc/15/55/76/627155576.db2.gz VFEMGCNXPNHHGT-LBPRGKRZSA-N 1 1 316.376 3.132 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1F ZINC000886526373 627157076 /nfs/dbraw/zinc/15/70/76/627157076.db2.gz LHOPDKCAWGOSDP-RYUDHWBXSA-N 1 1 324.396 3.191 20 10 DGCDMO C[C@@H]([NH2+]CCCOCC1CCOCC1)c1c(O)cccc1F ZINC000886530548 627157907 /nfs/dbraw/zinc/15/79/07/627157907.db2.gz MHFYNVBGUOXSLV-CYBMUJFWSA-N 1 1 311.397 3.015 20 10 DGCDMO C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1c(O)cccc1F ZINC000886548023 627160692 /nfs/dbraw/zinc/16/06/92/627160692.db2.gz WGQVHVCZNNSHPX-LLVKDONJSA-N 1 1 303.333 3.153 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1c(O)cccc1F ZINC000886548186 627160925 /nfs/dbraw/zinc/16/09/25/627160925.db2.gz YMKGHYKICXWYNQ-YVEFUNNKSA-N 1 1 301.361 3.496 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1c(O)cccc1F ZINC000886550112 627161261 /nfs/dbraw/zinc/16/12/61/627161261.db2.gz SKELGYGHIPOBAJ-WIUDPPPLSA-N 1 1 307.390 3.120 20 10 DGCDMO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886601603 627170865 /nfs/dbraw/zinc/17/08/65/627170865.db2.gz XNZMRRNJLJKNKL-QWRGUYRKSA-N 1 1 312.385 3.095 20 10 DGCDMO CNC(=O)CC1(C[NH2+][C@@H](C)c2c(O)cccc2F)CCCCC1 ZINC000886640163 627178447 /nfs/dbraw/zinc/17/84/47/627178447.db2.gz SWRLDYWQJQPJQQ-ZDUSSCGKSA-N 1 1 322.424 3.269 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1c([O-])cccc1F ZINC000886639842 627178686 /nfs/dbraw/zinc/17/86/86/627178686.db2.gz MRBKWGMSHOAFDY-ZFWWWQNUSA-N 1 1 306.425 3.304 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)c1c(O)cccc1F ZINC000886769543 627203001 /nfs/dbraw/zinc/20/30/01/627203001.db2.gz WUKFAFRYIWBRRQ-PLGIXQIDSA-N 1 1 323.408 3.155 20 10 DGCDMO Cc1ccc(O)c(C[NH+]2CC(O)(c3ccc(Cl)cc3)C2)c1 ZINC000811509045 627284255 /nfs/dbraw/zinc/28/42/55/627284255.db2.gz LXYNJHUNSYASTO-UHFFFAOYSA-N 1 1 303.789 3.057 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CC(C)(C)[C@@H]3C3CC3)cc2)CC1 ZINC000811513967 627285846 /nfs/dbraw/zinc/28/58/46/627285846.db2.gz XYSSTQNARPQMGT-IBGZPJMESA-N 1 1 313.489 3.059 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CC(C)(C)[C@@H]3C3CC3)cc2)CC1 ZINC000811513967 627285852 /nfs/dbraw/zinc/28/58/52/627285852.db2.gz XYSSTQNARPQMGT-IBGZPJMESA-N 1 1 313.489 3.059 20 10 DGCDMO Cn1ncc2ccc(C[NH2+]Cc3c(O)ccc(Cl)c3F)cc21 ZINC000812772704 627418605 /nfs/dbraw/zinc/41/86/05/627418605.db2.gz ZWNCHIHAYZTCNF-UHFFFAOYSA-N 1 1 319.767 3.361 20 10 DGCDMO CCOC(=O)CC(C)(C)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000813334464 627479220 /nfs/dbraw/zinc/47/92/20/627479220.db2.gz KTBBDMGQHLMPRI-UHFFFAOYSA-N 1 1 306.450 3.164 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1 ZINC000814180674 627547967 /nfs/dbraw/zinc/54/79/67/627547967.db2.gz QSUTVSLHHJAZQI-MRXNPFEDSA-N 1 1 304.434 3.059 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1 ZINC000814180674 627547970 /nfs/dbraw/zinc/54/79/70/627547970.db2.gz QSUTVSLHHJAZQI-MRXNPFEDSA-N 1 1 304.434 3.059 20 10 DGCDMO COc1ccc(O)c(CNc2[nH+]c3ccc(F)cc3n2C)c1 ZINC000814257165 627555136 /nfs/dbraw/zinc/55/51/36/627555136.db2.gz WNCBWSHOEJYRNR-UHFFFAOYSA-N 1 1 301.321 3.039 20 10 DGCDMO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccc(N(C)C)cc1 ZINC000814632006 627580802 /nfs/dbraw/zinc/58/08/02/627580802.db2.gz VPKNUUHEOUJFCL-GFCCVEGCSA-N 1 1 301.438 3.019 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@]3(CCCOC3)C2)ccc1N(C)C ZINC000815056374 627620540 /nfs/dbraw/zinc/62/05/40/627620540.db2.gz OUSRGTZKPIATIP-IBGZPJMESA-N 1 1 302.462 3.454 20 10 DGCDMO Cc1cc(C[N@@H+](C)CCC(=O)OC(C)(C)C)ccc1N(C)C ZINC000815060723 627621326 /nfs/dbraw/zinc/62/13/26/627621326.db2.gz CLRVLOSSHTVBNM-UHFFFAOYSA-N 1 1 306.450 3.225 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1N(C)C ZINC000815074236 627622735 /nfs/dbraw/zinc/62/27/35/627622735.db2.gz MVFNTLLAMBDPJY-QZTJIDSGSA-N 1 1 302.462 3.310 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1N(C)C ZINC000815083900 627624424 /nfs/dbraw/zinc/62/44/24/627624424.db2.gz IIGPWNXWMAFHNR-AEFFLSMTSA-N 1 1 304.478 3.290 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)ccc1N(C)C ZINC000815083903 627624535 /nfs/dbraw/zinc/62/45/35/627624535.db2.gz IIGPWNXWMAFHNR-WMZOPIPTSA-N 1 1 304.478 3.290 20 10 DGCDMO Cc1cc(C[N@H+]2CCOc3cc(O)ccc3C2)ccc1N(C)C ZINC000815118644 627630190 /nfs/dbraw/zinc/63/01/90/627630190.db2.gz YFKSIFDOQJQUCX-UHFFFAOYSA-N 1 1 312.413 3.161 20 10 DGCDMO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815120733 627631025 /nfs/dbraw/zinc/63/10/25/627631025.db2.gz MNVKBCLKWQNUMX-KRWDZBQOSA-N 1 1 306.450 3.081 20 10 DGCDMO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815120733 627631029 /nfs/dbraw/zinc/63/10/29/627631029.db2.gz MNVKBCLKWQNUMX-KRWDZBQOSA-N 1 1 306.450 3.081 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc(OC)no2)cc1 ZINC000924710564 627671623 /nfs/dbraw/zinc/67/16/23/627671623.db2.gz LYDWFRIBLZDXMA-CYBMUJFWSA-N 1 1 303.406 3.380 20 10 DGCDMO CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815560716 627685113 /nfs/dbraw/zinc/68/51/13/627685113.db2.gz NYFNUEYFTAZFIK-NWDGAFQWSA-N 1 1 316.367 3.403 20 10 DGCDMO CC(C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815572255 627686333 /nfs/dbraw/zinc/68/63/33/627686333.db2.gz YLFYJAMSPZONJC-GHMZBOCLSA-N 1 1 305.340 3.469 20 10 DGCDMO C[C@H]([NH2+]CCOCC1CC1)c1cccc(C(F)(F)F)c1O ZINC000815577997 627686449 /nfs/dbraw/zinc/68/64/49/627686449.db2.gz FGWQZQSHWJIYPH-JTQLQIEISA-N 1 1 303.324 3.488 20 10 DGCDMO C[C@H]([NH2+]CCC1CC(O)C1)c1cccc(C(F)(F)F)c1O ZINC000815621118 627691578 /nfs/dbraw/zinc/69/15/78/627691578.db2.gz LWMKJHDZHPQQCV-WHXUTIOJSA-N 1 1 303.324 3.223 20 10 DGCDMO COCC[C@H](COC)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815628384 627693102 /nfs/dbraw/zinc/69/31/02/627693102.db2.gz YTFNWZYARAJNES-WDEREUQCSA-N 1 1 321.339 3.113 20 10 DGCDMO C[C@H](c1ccc(F)cc1O)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925753225 627788175 /nfs/dbraw/zinc/78/81/75/627788175.db2.gz FDSXCCRAHABFIS-LLVKDONJSA-N 1 1 302.349 3.069 20 10 DGCDMO C[C@H](c1ccc(F)cc1O)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753225 627788180 /nfs/dbraw/zinc/78/81/80/627788180.db2.gz FDSXCCRAHABFIS-LLVKDONJSA-N 1 1 302.349 3.069 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000925784782 627794754 /nfs/dbraw/zinc/79/47/54/627794754.db2.gz NTUUEFJKIZZOGD-JFUSQASVSA-N 1 1 303.233 3.348 20 10 DGCDMO CCc1nocc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000816481525 627795493 /nfs/dbraw/zinc/79/54/93/627795493.db2.gz ZHASOTHXVWMZSO-MRXNPFEDSA-N 1 1 316.401 3.124 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000816495267 627796856 /nfs/dbraw/zinc/79/68/56/627796856.db2.gz QKRJCPFEEJKCMN-UHFFFAOYSA-N 1 1 309.772 3.287 20 10 DGCDMO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816494319 627796946 /nfs/dbraw/zinc/79/69/46/627796946.db2.gz GWGRWXYJHBRBQR-LLVKDONJSA-N 1 1 323.799 3.298 20 10 DGCDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816494319 627796947 /nfs/dbraw/zinc/79/69/47/627796947.db2.gz GWGRWXYJHBRBQR-LLVKDONJSA-N 1 1 323.799 3.298 20 10 DGCDMO Oc1c(C[N@H+]2CCCC[C@@H]2C2OCCO2)ccc2ccccc21 ZINC000816501227 627797511 /nfs/dbraw/zinc/79/75/11/627797511.db2.gz BBNMLBQZODVXPQ-QGZVFWFLSA-N 1 1 313.397 3.273 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCOc1ccccc1F ZINC000816528776 627802959 /nfs/dbraw/zinc/80/29/59/627802959.db2.gz RBKRHPJMPQTWSS-UHFFFAOYSA-N 1 1 313.731 3.492 20 10 DGCDMO Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816532620 627803089 /nfs/dbraw/zinc/80/30/89/627803089.db2.gz OXWQZKCTNLJVHP-JTQLQIEISA-N 1 1 311.788 3.116 20 10 DGCDMO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816538216 627804149 /nfs/dbraw/zinc/80/41/49/627804149.db2.gz JJCPUWWQDWKWGT-NEPJUHHUSA-N 1 1 314.832 3.395 20 10 DGCDMO C[C@@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCCC[C@H]1O ZINC000816555867 627806857 /nfs/dbraw/zinc/80/68/57/627806857.db2.gz SCPRMSNQFSFDJC-CABCVRRESA-N 1 1 301.789 3.216 20 10 DGCDMO CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816592225 627812779 /nfs/dbraw/zinc/81/27/79/627812779.db2.gz CLVQKZPOYNVGNT-OAHLLOKOSA-N 1 1 301.789 3.312 20 10 DGCDMO CCC[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816592225 627812781 /nfs/dbraw/zinc/81/27/81/627812781.db2.gz CLVQKZPOYNVGNT-OAHLLOKOSA-N 1 1 301.789 3.312 20 10 DGCDMO OCC[C@H]1CCCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816603165 627813356 /nfs/dbraw/zinc/81/33/56/627813356.db2.gz AWKFNDGYBSADHW-GFCCVEGCSA-N 1 1 301.789 3.312 20 10 DGCDMO OCC[C@H]1CCCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816603165 627813361 /nfs/dbraw/zinc/81/33/61/627813361.db2.gz AWKFNDGYBSADHW-GFCCVEGCSA-N 1 1 301.789 3.312 20 10 DGCDMO OCCC[N@@H+](Cc1ccccn1)Cc1ccc2ccccc2c1O ZINC000816611356 627814946 /nfs/dbraw/zinc/81/49/46/627814946.db2.gz NWIQPSLKGACGDI-UHFFFAOYSA-N 1 1 322.408 3.325 20 10 DGCDMO Cc1cc(Cl)cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1O ZINC000816643065 627818238 /nfs/dbraw/zinc/81/82/38/627818238.db2.gz UDTJHSMRWPDUAQ-QGZVFWFLSA-N 1 1 308.853 3.272 20 10 DGCDMO Cc1cc(C[N@@H+]2C[C@H](O)CC[C@H]2C)ccc1N1CCCCC1 ZINC000817289179 627878921 /nfs/dbraw/zinc/87/89/21/627878921.db2.gz UICHQFJUZGRRPL-SJLPKXTDSA-N 1 1 302.462 3.331 20 10 DGCDMO Cc1ccc2c(c1)[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000817938028 627966764 /nfs/dbraw/zinc/96/67/64/627966764.db2.gz BRQWZFFBYHFRBP-PMACEKPBSA-N 1 1 309.457 3.338 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000817938968 627967315 /nfs/dbraw/zinc/96/73/15/627967315.db2.gz WNRRDMUONLWSPB-RBUKOAKNSA-N 1 1 313.420 3.169 20 10 DGCDMO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000817939098 627967548 /nfs/dbraw/zinc/96/75/48/627967548.db2.gz YVTNBBNCUWOFDW-SCLBCKFNSA-N 1 1 301.409 3.242 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccnc(Cl)c1 ZINC000817939895 627968023 /nfs/dbraw/zinc/96/80/23/627968023.db2.gz CZZLFMAMADQPMA-WBMJQRKESA-N 1 1 318.852 3.152 20 10 DGCDMO CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817942031 627969006 /nfs/dbraw/zinc/96/90/06/627969006.db2.gz WBUZWFWTQKGDPI-GXFFZTMASA-N 1 1 303.233 3.492 20 10 DGCDMO CCc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)o1 ZINC000817942354 627969846 /nfs/dbraw/zinc/96/98/46/627969846.db2.gz OLBGSHGSGHARGM-CXAGYDPISA-N 1 1 301.434 3.259 20 10 DGCDMO CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817961227 627975816 /nfs/dbraw/zinc/97/58/16/627975816.db2.gz VOKZYOFCBJWJSA-RYUDHWBXSA-N 1 1 303.233 3.477 20 10 DGCDMO CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817961366 627976209 /nfs/dbraw/zinc/97/62/09/627976209.db2.gz XTUKCSVSHFUNTJ-QWHCGFSZSA-N 1 1 303.233 3.477 20 10 DGCDMO C[C@@H](NCC(F)(F)C[NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000817966360 627977525 /nfs/dbraw/zinc/97/75/25/627977525.db2.gz MCWLYIOQSFCQJB-GFCCVEGCSA-N 1 1 315.383 3.061 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000817970464 627978639 /nfs/dbraw/zinc/97/86/39/627978639.db2.gz WHNOJOHECDPVTQ-DDTOSNHZSA-N 1 1 316.367 3.450 20 10 DGCDMO C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968763 627978768 /nfs/dbraw/zinc/97/87/68/627978768.db2.gz MBVRPDBONKOVEK-AUTRQRHGSA-N 1 1 303.233 3.348 20 10 DGCDMO C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817968765 627978778 /nfs/dbraw/zinc/97/87/78/627978778.db2.gz MBVRPDBONKOVEK-PTRXPTGYSA-N 1 1 303.233 3.348 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000926951405 627988362 /nfs/dbraw/zinc/98/83/62/627988362.db2.gz QTJJYVSNKSQRMD-UBHAPETDSA-N 1 1 317.307 3.028 20 10 DGCDMO C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccc(F)cc1O ZINC000926966479 627990714 /nfs/dbraw/zinc/99/07/14/627990714.db2.gz ZXYQHCJTUFVALL-RNCFNFMXSA-N 1 1 308.319 3.065 20 10 DGCDMO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)s1 ZINC000818355512 628018119 /nfs/dbraw/zinc/01/81/19/628018119.db2.gz HAPRGKHNKXLEII-BDAKNGLRSA-N 1 1 324.377 3.186 20 10 DGCDMO C[N@@H+](CCCC(C)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000929185356 628222637 /nfs/dbraw/zinc/22/26/37/628222637.db2.gz NDHDITYPVXGEQE-UHFFFAOYSA-N 1 1 312.404 3.390 20 10 DGCDMO Cc1cccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1O ZINC000822530197 628461732 /nfs/dbraw/zinc/46/17/32/628461732.db2.gz TVOHUINNIBVWOU-GOSISDBHSA-N 1 1 301.430 3.482 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000822529823 628461875 /nfs/dbraw/zinc/46/18/75/628461875.db2.gz JTJTTZLJUSHRGD-QGZVFWFLSA-N 1 1 305.393 3.312 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1F ZINC000824696988 628684638 /nfs/dbraw/zinc/68/46/38/628684638.db2.gz WYIXCPIJYLYCLA-SUMDDJOVSA-N 1 1 320.452 3.407 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824721720 628687625 /nfs/dbraw/zinc/68/76/25/628687625.db2.gz IFSFWLMHAOSDKQ-HONMWMINSA-N 1 1 313.800 3.310 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824721720 628687627 /nfs/dbraw/zinc/68/76/27/628687627.db2.gz IFSFWLMHAOSDKQ-HONMWMINSA-N 1 1 313.800 3.310 20 10 DGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726257 628687728 /nfs/dbraw/zinc/68/77/28/628687728.db2.gz JXXGFIBMBVZTLD-GOSISDBHSA-N 1 1 319.351 3.261 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1 ZINC000825124439 628730337 /nfs/dbraw/zinc/73/03/37/628730337.db2.gz PYZSKMABPKZCIG-ZDUSSCGKSA-N 1 1 316.367 3.017 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1O ZINC000825124119 628730403 /nfs/dbraw/zinc/73/04/03/628730403.db2.gz ICVLBHYMDHOWCV-LBPRGKRZSA-N 1 1 316.367 3.017 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c(O)c(C(C)(C)C)c1 ZINC000825451666 628763099 /nfs/dbraw/zinc/76/30/99/628763099.db2.gz XGIRRIBGBIMQRU-ZIAGYGMSSA-N 1 1 321.461 3.291 20 10 DGCDMO CC[C@]1(O)CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000825567584 628774181 /nfs/dbraw/zinc/77/41/81/628774181.db2.gz KEEYSSFALDRJMC-SFHVURJKSA-N 1 1 307.434 3.045 20 10 DGCDMO Cc1cc(O)c(C[NH2+]Cc2nccc(C(F)F)n2)cc1Cl ZINC000825940287 628812047 /nfs/dbraw/zinc/81/20/47/628812047.db2.gz RTOWVARGEWZBON-UHFFFAOYSA-N 1 1 313.735 3.371 20 10 DGCDMO CC(C)[N@@H+](Cc1ccc(Br)cc1O)[C@@H]1CCOC1 ZINC000825955261 628814990 /nfs/dbraw/zinc/81/49/90/628814990.db2.gz JDRMIPZUZWDOPO-CYBMUJFWSA-N 1 1 314.223 3.154 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H](CO)CC2)c(O)c(C(C)(C)C)c1 ZINC000826017535 628820419 /nfs/dbraw/zinc/82/04/19/628820419.db2.gz SFEPLLXURZBJSQ-CQSZACIVSA-N 1 1 321.461 3.293 20 10 DGCDMO COc1cc(C[N@H+](C2CC2)C2COC2)c(O)c(C(C)(C)C)c1 ZINC000826030305 628821626 /nfs/dbraw/zinc/82/16/26/628821626.db2.gz WDAWDTSWYCTRPB-UHFFFAOYSA-N 1 1 305.418 3.062 20 10 DGCDMO COc1cc(C[N@@H+](C2CC2)C2COC2)c(O)c(C(C)(C)C)c1 ZINC000826030305 628821630 /nfs/dbraw/zinc/82/16/30/628821630.db2.gz WDAWDTSWYCTRPB-UHFFFAOYSA-N 1 1 305.418 3.062 20 10 DGCDMO Oc1cc(Br)ccc1C[NH+]1CC2(CC(F)C2)C1 ZINC000826114141 628829506 /nfs/dbraw/zinc/82/95/06/628829506.db2.gz VNZGCTBUZCHTQE-UHFFFAOYSA-N 1 1 300.171 3.089 20 10 DGCDMO CCCC[C@](C)(CO)[NH2+]Cc1cccc(Br)c1O ZINC000842745748 628832967 /nfs/dbraw/zinc/83/29/67/628832967.db2.gz FUTYHBWHQREBHA-CQSZACIVSA-N 1 1 316.239 3.186 20 10 DGCDMO COc1cc(C[N@@H+](C[C@H](C)O)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000826539536 628857447 /nfs/dbraw/zinc/85/74/47/628857447.db2.gz VHXOEVSQIIKPNM-LBPRGKRZSA-N 1 1 307.434 3.044 20 10 DGCDMO Cc1cccc(C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c1O ZINC000826810712 628889844 /nfs/dbraw/zinc/88/98/44/628889844.db2.gz WSOZUJXUEPHEHI-UHFFFAOYSA-N 1 1 322.449 3.436 20 10 DGCDMO COc1cc(Cl)cc(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1O ZINC000826869032 628897523 /nfs/dbraw/zinc/89/75/23/628897523.db2.gz ZLBDPEYVBQXNLU-CYBMUJFWSA-N 1 1 312.841 3.017 20 10 DGCDMO COc1cc(Cl)cc(CN[C@@H]2CC[N@H+](C(C)(C)C)C2)c1O ZINC000826869032 628897525 /nfs/dbraw/zinc/89/75/25/628897525.db2.gz ZLBDPEYVBQXNLU-CYBMUJFWSA-N 1 1 312.841 3.017 20 10 DGCDMO COC[C@@H]([NH2+]Cc1cccc(F)c1O)c1cccc(OC)c1 ZINC000827011691 628912599 /nfs/dbraw/zinc/91/25/99/628912599.db2.gz LYTMOFGDEYQDJL-MRXNPFEDSA-N 1 1 305.349 3.017 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccnc1N ZINC000827336622 628950904 /nfs/dbraw/zinc/95/09/04/628950904.db2.gz KXJNVOGTAPTYNU-UHFFFAOYSA-N 1 1 310.445 3.286 20 10 DGCDMO Cc1cc(C[N@H+]2CCCC[C@H]2CO)ccc1N1CCCCC1 ZINC000827411222 628956506 /nfs/dbraw/zinc/95/65/06/628956506.db2.gz MYGQADDFRYRTKA-SFHVURJKSA-N 1 1 302.462 3.332 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000827657816 628980480 /nfs/dbraw/zinc/98/04/80/628980480.db2.gz QZJIJXORMPKGSO-UHFFFAOYSA-N 1 1 312.413 3.161 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCOc2ccc(O)cc2C1 ZINC000827657816 628980483 /nfs/dbraw/zinc/98/04/83/628980483.db2.gz QZJIJXORMPKGSO-UHFFFAOYSA-N 1 1 312.413 3.161 20 10 DGCDMO Cc1cc(C[N@@H+](C)Cc2cnccn2)ccc1N1CCCCC1 ZINC000827998676 629013026 /nfs/dbraw/zinc/01/30/26/629013026.db2.gz AVQSLHJBMNBUEU-UHFFFAOYSA-N 1 1 310.445 3.407 20 10 DGCDMO Cc1cc(C[N@H+](C)Cc2cnccn2)ccc1N1CCCCC1 ZINC000827998676 629013030 /nfs/dbraw/zinc/01/30/30/629013030.db2.gz AVQSLHJBMNBUEU-UHFFFAOYSA-N 1 1 310.445 3.407 20 10 DGCDMO COc1ccc([N@H+](CC(C)C)C[C@H]2CCNC(=O)CC2)cc1 ZINC000828206065 629033053 /nfs/dbraw/zinc/03/30/53/629033053.db2.gz OUENDWKREDILNQ-OAHLLOKOSA-N 1 1 304.434 3.074 20 10 DGCDMO COc1ccc([N@@H+](CC(C)C)C[C@H]2CCNC(=O)CC2)cc1 ZINC000828206065 629033057 /nfs/dbraw/zinc/03/30/57/629033057.db2.gz OUENDWKREDILNQ-OAHLLOKOSA-N 1 1 304.434 3.074 20 10 DGCDMO Cc1cc(C[N@@H+]2CCc3n[nH]cc3C2)ccc1N1CCCCC1 ZINC000828516305 629062104 /nfs/dbraw/zinc/06/21/04/629062104.db2.gz XFZHNNDXTIXDQF-UHFFFAOYSA-N 1 1 310.445 3.267 20 10 DGCDMO Cc1cc(C[N@H+]2CCc3n[nH]cc3C2)ccc1N1CCCCC1 ZINC000828516305 629062107 /nfs/dbraw/zinc/06/21/07/629062107.db2.gz XFZHNNDXTIXDQF-UHFFFAOYSA-N 1 1 310.445 3.267 20 10 DGCDMO Cc1cc(C[N@H+](C)CC2(O)CCC2)ccc1N1CCCCC1 ZINC000828868515 629103154 /nfs/dbraw/zinc/10/31/54/629103154.db2.gz 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/nfs/dbraw/zinc/79/78/17/629797817.db2.gz UXPBIPZXKCCLFY-SNVBAGLBSA-N 1 1 303.324 3.087 20 10 DGCDMO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1cccc(C(F)(F)F)c1O ZINC000834906677 629804740 /nfs/dbraw/zinc/80/47/40/629804740.db2.gz RTMNJWGRXZEFAJ-ZANVPECISA-N 1 1 303.324 3.223 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC2CC(F)(F)C2)c1 ZINC000834909761 629806850 /nfs/dbraw/zinc/80/68/50/629806850.db2.gz TZRIWLNTUONYJN-JTQLQIEISA-N 1 1 313.344 3.265 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000835025805 629828250 /nfs/dbraw/zinc/82/82/50/629828250.db2.gz NPLVQYMPIUPLEF-MAVJXHJTSA-N 1 1 310.445 3.369 20 10 DGCDMO CCC[N@@H+]1CC[C@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835034563 629830393 /nfs/dbraw/zinc/83/03/93/629830393.db2.gz BLNSVELDHAVOJA-DUMMIQTOSA-N 1 1 301.478 3.087 20 10 DGCDMO CCC[N@H+]1CC[C@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835034563 629830395 /nfs/dbraw/zinc/83/03/95/629830395.db2.gz BLNSVELDHAVOJA-DUMMIQTOSA-N 1 1 301.478 3.087 20 10 DGCDMO Cc1nnc([C@@H](C)[NH2+]C/C=C/c2ccc(N(C)C)cc2)s1 ZINC000835046928 629834947 /nfs/dbraw/zinc/83/49/47/629834947.db2.gz AJKMQVVFLJPBNW-BTDICHCPSA-N 1 1 302.447 3.277 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1 ZINC000835048030 629835789 /nfs/dbraw/zinc/83/57/89/629835789.db2.gz DRHDQWLSVNRUGL-WLPBJKJWSA-N 1 1 324.472 3.379 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000835049553 629836330 /nfs/dbraw/zinc/83/63/30/629836330.db2.gz KAEYMBVNYXFOJN-WAPNLOFKSA-N 1 1 300.446 3.409 20 10 DGCDMO C[C@H](CO)[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC1CCC1 ZINC000835049526 629836368 /nfs/dbraw/zinc/83/63/68/629836368.db2.gz JNGKWIMMZCHXST-CDVVCGDMSA-N 1 1 302.462 3.249 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000835054658 629838925 /nfs/dbraw/zinc/83/89/25/629838925.db2.gz LZCBAWLLDHLVDS-OOFWQKGWSA-N 1 1 302.462 3.249 20 10 DGCDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1c(O)cccc1Cl ZINC000835076275 629845075 /nfs/dbraw/zinc/84/50/75/629845075.db2.gz 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CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC000840918609 630377896 /nfs/dbraw/zinc/37/78/96/630377896.db2.gz WPYZFDVNIPAARU-QFBILLFUSA-N 1 1 303.494 3.366 20 10 DGCDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC000840918609 630377898 /nfs/dbraw/zinc/37/78/98/630377898.db2.gz WPYZFDVNIPAARU-QFBILLFUSA-N 1 1 303.494 3.366 20 10 DGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C)C[C@@H]1C ZINC000840918609 630377900 /nfs/dbraw/zinc/37/79/00/630377900.db2.gz WPYZFDVNIPAARU-QFBILLFUSA-N 1 1 303.494 3.366 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000840946071 630382121 /nfs/dbraw/zinc/38/21/21/630382121.db2.gz DZOYMFDQMNHWLS-MSOLQXFVSA-N 1 1 302.462 3.450 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000840948626 630382469 /nfs/dbraw/zinc/38/24/69/630382469.db2.gz HCKCYUSHNDXKHO-LJQANCHMSA-N 1 1 314.473 3.452 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000840949586 630383278 /nfs/dbraw/zinc/38/32/78/630383278.db2.gz YPOKIXQIHNRRMH-MOPGFXCFSA-N 1 1 300.446 3.204 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000840950414 630383707 /nfs/dbraw/zinc/38/37/07/630383707.db2.gz IBGSEJSNTPSKLN-GUDVDZBRSA-N 1 1 302.462 3.186 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000840954821 630384069 /nfs/dbraw/zinc/38/40/69/630384069.db2.gz OQQTYWXDTGRUEQ-GXTWGEPZSA-N 1 1 320.389 3.225 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840957049 630384704 /nfs/dbraw/zinc/38/47/04/630384704.db2.gz HZCJBTNSMWNYTB-UXHICEINSA-N 1 1 310.441 3.369 20 10 DGCDMO CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(O)c1 ZINC000840956101 630384840 /nfs/dbraw/zinc/38/48/40/630384840.db2.gz AWWBLKDFEPLMET-FUHWJXTLSA-N 1 1 313.397 3.099 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1F ZINC000840958229 630384941 /nfs/dbraw/zinc/38/49/41/630384941.db2.gz OAZWMDABKJDGAZ-QFBILLFUSA-N 1 1 314.404 3.200 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840957051 630384972 /nfs/dbraw/zinc/38/49/72/630384972.db2.gz HZCJBTNSMWNYTB-WOJBJXKFSA-N 1 1 310.441 3.369 20 10 DGCDMO COCC1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000840963029 630387584 /nfs/dbraw/zinc/38/75/84/630387584.db2.gz POYQJSSYXNSNMD-UHFFFAOYSA-N 1 1 301.789 3.480 20 10 DGCDMO CC(C)[C@H]([NH3+])CNCc1ccc(OCc2ccccc2)cc1O ZINC000841030923 630398401 /nfs/dbraw/zinc/39/84/01/630398401.db2.gz PCUMFOAYXNHLQR-GOSISDBHSA-N 1 1 314.429 3.044 20 10 DGCDMO CC(C)c1ccc([C@H](N)C[NH2+]Cc2cccc(F)c2O)cc1 ZINC000841036782 630400026 /nfs/dbraw/zinc/40/00/26/630400026.db2.gz MKMOKJDKDATFDP-QGZVFWFLSA-N 1 1 302.393 3.444 20 10 DGCDMO CCCN(CCC)c1ccc(CN[C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000841064654 630403623 /nfs/dbraw/zinc/40/36/23/630403623.db2.gz RZOQSUQLHPACPZ-QFBILLFUSA-N 1 1 303.494 3.401 20 10 DGCDMO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C2 ZINC000841745734 630461585 /nfs/dbraw/zinc/46/15/85/630461585.db2.gz 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Cn1cc(CC[NH2+]Cc2ccc(Cl)cc2O)c2cccnc21 ZINC001462518485 1182964200 /nfs/dbraw/zinc/96/42/00/1182964200.db2.gz VOBFNQJRYXXYDT-UHFFFAOYSA-N 1 1 315.804 3.265 20 10 DGCDMO CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC001473906790 1183824167 /nfs/dbraw/zinc/82/41/67/1183824167.db2.gz QZMXNKVASZRLQB-JQHSSLGASA-N 1 1 316.445 3.059 20 10 DGCDMO CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC001473906790 1183824174 /nfs/dbraw/zinc/82/41/74/1183824174.db2.gz QZMXNKVASZRLQB-JQHSSLGASA-N 1 1 316.445 3.059 20 10 DGCDMO CC[N@@H+]1CCC[C@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC001473965237 1183839969 /nfs/dbraw/zinc/83/99/69/1183839969.db2.gz XRNIPOMWRLMOPT-GOSISDBHSA-N 1 1 301.478 3.108 20 10 DGCDMO CC[N@H+]1CCC[C@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC001473965237 1183839973 /nfs/dbraw/zinc/83/99/73/1183839973.db2.gz XRNIPOMWRLMOPT-GOSISDBHSA-N 1 1 301.478 3.108 20 10 DGCDMO CCSCC[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001474025789 1183853682 /nfs/dbraw/zinc/85/36/82/1183853682.db2.gz ZVUDOBGLNXWMGX-INIZCTEOSA-N 1 1 321.534 3.060 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC001474160364 1183876321 /nfs/dbraw/zinc/87/63/21/1183876321.db2.gz GIWMUCGBYMFWSS-CQSZACIVSA-N 1 1 313.731 3.147 20 10 DGCDMO Oc1cc(Cl)ccc1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC001474441041 1183921765 /nfs/dbraw/zinc/92/17/65/1183921765.db2.gz CNBPOINGRSLWBR-UHFFFAOYSA-N 1 1 303.789 3.313 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001474435233 1183922459 /nfs/dbraw/zinc/92/24/59/1183922459.db2.gz BPTWHYDWBVUBFO-STQMWFEESA-N 1 1 324.415 3.413 20 10 DGCDMO C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3O)C2)CC1 ZINC001474503760 1183931615 /nfs/dbraw/zinc/93/16/15/1183931615.db2.gz PYZIPNXJMCMCHE-AWEZNQCLSA-N 1 1 308.853 3.209 20 10 DGCDMO C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)CC1 ZINC001474503760 1183931619 /nfs/dbraw/zinc/93/16/19/1183931619.db2.gz PYZIPNXJMCMCHE-AWEZNQCLSA-N 1 1 308.853 3.209 20 10 DGCDMO C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)CC1 ZINC001474503760 1183931624 /nfs/dbraw/zinc/93/16/24/1183931624.db2.gz PYZIPNXJMCMCHE-AWEZNQCLSA-N 1 1 308.853 3.209 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c(O)c1 ZINC001474631085 1183952078 /nfs/dbraw/zinc/95/20/78/1183952078.db2.gz WTJPEHKDOUNBID-HNAYVOBHSA-N 1 1 319.445 3.490 20 10 DGCDMO Cn1cc(CC[NH2+]Cc2cc(F)c(F)cc2O)c2ccccc21 ZINC001474631944 1183952180 /nfs/dbraw/zinc/95/21/80/1183952180.db2.gz PRYVQOSHJMEWFD-UHFFFAOYSA-N 1 1 316.351 3.494 20 10 DGCDMO CC(C)c1ccc(O)c(CN2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC001474646894 1183954703 /nfs/dbraw/zinc/95/47/03/1183954703.db2.gz YHONXMJCCDTKFI-SFHVURJKSA-N 1 1 320.477 3.058 20 10 DGCDMO COC(=O)C[N@H+](CCC1CCC1)Cc1cc(Cl)ccc1O ZINC001615935607 1193531223 /nfs/dbraw/zinc/53/12/23/1193531223.db2.gz QYSWNEPVGVCQFC-UHFFFAOYSA-N 1 1 311.809 3.211 20 10 DGCDMO COC(=O)C[N@@H+](CCC1CCC1)Cc1cc(Cl)ccc1O ZINC001615935607 1193531224 /nfs/dbraw/zinc/53/12/24/1193531224.db2.gz QYSWNEPVGVCQFC-UHFFFAOYSA-N 1 1 311.809 3.211 20 10 DGCDMO CCN(CC)c1ccc(CNC[C@H]2CCCC[N@H+](C)C2)cc1F ZINC001560533939 1189337810 /nfs/dbraw/zinc/33/78/10/1189337810.db2.gz IVRKFKAEPMYTOT-QGZVFWFLSA-N 1 1 321.484 3.493 20 10 DGCDMO CCN(CC)c1ccc(CNC[C@H]2CCCC[N@@H+](C)C2)cc1F ZINC001560533939 1189337814 /nfs/dbraw/zinc/33/78/14/1189337814.db2.gz IVRKFKAEPMYTOT-QGZVFWFLSA-N 1 1 321.484 3.493 20 10 DGCDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001560630473 1189352366 /nfs/dbraw/zinc/35/23/66/1189352366.db2.gz XYZPRQBSHUNFQB-MRXNPFEDSA-N 1 1 318.461 3.254 20 10 DGCDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001560648133 1189355896 /nfs/dbraw/zinc/35/58/96/1189355896.db2.gz KFLIXQANSUSJCT-GFCCVEGCSA-N 1 1 305.809 3.159 20 10 DGCDMO COc1ccc(C[C@@H]2CC[N@H+]2Cc2cc(F)ccc2O)cc1 ZINC001560671952 1189358442 /nfs/dbraw/zinc/35/84/42/1189358442.db2.gz SSVQONBXRZCFQK-INIZCTEOSA-N 1 1 301.361 3.357 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CC=C(C)CC2)c2cc(F)ccc2n1C ZINC001560685534 1189360804 /nfs/dbraw/zinc/36/08/04/1189360804.db2.gz SZSVMGLJGHTFLH-UHFFFAOYSA-N 1 1 316.376 3.256 20 10 DGCDMO COC(=O)c1c(C[N@@H+]2CC=C(C)CC2)c2cc(F)ccc2n1C ZINC001560685534 1189360808 /nfs/dbraw/zinc/36/08/08/1189360808.db2.gz SZSVMGLJGHTFLH-UHFFFAOYSA-N 1 1 316.376 3.256 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)c(F)cc2O)c1 ZINC001560815242 1189386225 /nfs/dbraw/zinc/38/62/25/1189386225.db2.gz UYACHNFBBFFYKP-VIFPVBQESA-N 1 1 309.312 3.235 20 10 DGCDMO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(F)c(F)cc1O ZINC001560849885 1189393469 /nfs/dbraw/zinc/39/34/69/1189393469.db2.gz ZYTAFUOYNUUTQH-VIFPVBQESA-N 1 1 313.266 3.118 20 10 DGCDMO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001560890700 1189400751 /nfs/dbraw/zinc/40/07/51/1189400751.db2.gz ONENTSLGQRSSKN-GXTWGEPZSA-N 1 1 323.408 3.331 20 10 DGCDMO COc1ccc(C[N@H+]2CCO[C@@H](C(C)(C)C)CC2)c(O)c1OC ZINC001561051807 1189427972 /nfs/dbraw/zinc/42/79/72/1189427972.db2.gz JQPUKUNHHRDKOT-OAHLLOKOSA-N 1 1 323.433 3.046 20 10 DGCDMO CCN(C)c1ccc(C[NH2+][C@H](CO)c2cc(F)ccc2F)cc1 ZINC001620669713 1193789441 /nfs/dbraw/zinc/78/94/41/1193789441.db2.gz YEFBBBRANCXOHB-GOSISDBHSA-N 1 1 320.383 3.244 20 10 DGCDMO Cn1nc(CC[NH2+]Cc2ccc(Cl)cc2O)c2ccccc21 ZINC001621267075 1193824567 /nfs/dbraw/zinc/82/45/67/1193824567.db2.gz NCWVGXSHWCSWQF-UHFFFAOYSA-N 1 1 315.804 3.265 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)CCN2CCOC(C)(C)C2)c1 ZINC001621298305 1193827555 /nfs/dbraw/zinc/82/75/55/1193827555.db2.gz XIOSWAAOQCKWFF-UHFFFAOYSA-N 1 1 320.477 3.058 20 10 DGCDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001633315525 1194431163 /nfs/dbraw/zinc/43/11/63/1194431163.db2.gz RYILQBXTYFQXGA-CRAIPNDOSA-N 1 1 317.477 3.050 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2C[C@H]3CCC[C@H]3O2)cc1 ZINC001646717627 1195236957 /nfs/dbraw/zinc/23/69/57/1195236957.db2.gz BVAPLALEKQDNOT-AYOQOUSVSA-N 1 1 318.461 3.021 20 10 DGCDMO CC(C)[C@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001648591427 1195311473 /nfs/dbraw/zinc/31/14/73/1195311473.db2.gz LDGVNOFIRZHVHX-WOJBJXKFSA-N 1 1 315.505 3.447 20 10 DGCDMO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(N(C)C)cc1 ZINC001648591427 1195311477 /nfs/dbraw/zinc/31/14/77/1195311477.db2.gz LDGVNOFIRZHVHX-WOJBJXKFSA-N 1 1 315.505 3.447 20 10 DGCDMO Cn1c[nH+]c2cc(NCc3ccc(-n4cccn4)cc3)ccc21 ZINC001650706566 1195374561 /nfs/dbraw/zinc/37/45/61/1195374561.db2.gz QZZCYBMZZMRSKT-UHFFFAOYSA-N 1 1 303.369 3.371 20 10 DGCDMO C[C@@H](C[NH+]1CCC(C)CC1)NCc1ccc(N(C)C)c(F)c1 ZINC001651322017 1195442628 /nfs/dbraw/zinc/44/26/28/1195442628.db2.gz LKLRXDCRLXJQFS-HNNXBMFYSA-N 1 1 307.457 3.102 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc([N+](=O)[O-])cc1 ZINC001651554650 1195479093 /nfs/dbraw/zinc/47/90/93/1195479093.db2.gz QPYQDQUJVPPKIZ-VIFPVBQESA-N 1 1 308.284 3.429 20 10 DGCDMO COCCOC[C@H]1CC[N@@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001651723105 1195502754 /nfs/dbraw/zinc/50/27/54/1195502754.db2.gz RJNDDBCFPKWHQL-HNNXBMFYSA-N 1 1 307.434 3.001 20 10 DGCDMO COc1cc(C)c(C[N@@H+]2CC=C(C(F)(F)F)CC2)c(O)c1 ZINC001651756569 1195506086 /nfs/dbraw/zinc/50/60/86/1195506086.db2.gz BMGGFCYWZOBDAY-UHFFFAOYSA-N 1 1 301.308 3.404 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC001651799532 1195510732 /nfs/dbraw/zinc/51/07/32/1195510732.db2.gz ACULMRQAQHTPAF-RDJZCZTQSA-N 1 1 307.459 3.222 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C[C@@H]2C[C@H]2c2cnn(C)c2)C2CC2)cc1 ZINC001652100899 1195547709 /nfs/dbraw/zinc/54/77/09/1195547709.db2.gz YMXHXJRYJLTBJF-OXJNMPFZSA-N 1 1 324.472 3.254 20 10 DGCDMO COc1c(O)c(C[NH+]2CCCCCCCC2)ccc1[N+](=O)[O-] ZINC001652480625 1195603367 /nfs/dbraw/zinc/60/33/67/1195603367.db2.gz CYUMANNAJGRKJU-UHFFFAOYSA-N 1 1 308.378 3.465 20 10 DGCDMO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)C(C)C ZINC001652740531 1195645356 /nfs/dbraw/zinc/64/53/56/1195645356.db2.gz WPMYSWYUZPTGBG-CQSZACIVSA-N 1 1 315.360 3.126 20 10 DGCDMO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cc(F)c(F)cc1O ZINC001653111644 1195689235 /nfs/dbraw/zinc/68/92/35/1195689235.db2.gz QSIMNTBIFRJSBK-UHFFFAOYSA-N 1 1 321.323 3.074 20 10 DGCDMO C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1cc(F)c(F)cc1O ZINC001653111644 1195689238 /nfs/dbraw/zinc/68/92/38/1195689238.db2.gz QSIMNTBIFRJSBK-UHFFFAOYSA-N 1 1 321.323 3.074 20 10 DGCDMO C[C@@H](C[NH2+]Cc1cc(F)c(F)cc1O)c1ccccc1[N+](=O)[O-] ZINC001653171904 1195694692 /nfs/dbraw/zinc/69/46/92/1195694692.db2.gz QZJCMNIIRPLTJT-JTQLQIEISA-N 1 1 322.311 3.472 20 10 DGCDMO CC(C)[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N1CCCC1 ZINC001655251091 1195896146 /nfs/dbraw/zinc/89/61/46/1195896146.db2.gz MCJKWYSVLUCBMO-DUIUGDAFSA-N 1 1 315.505 3.476 20 10 DGCDMO Cc1ccn2cc(C[NH2+]Cc3ccc(N(C)C)c(F)c3)nc2c1 ZINC001655560447 1195932085 /nfs/dbraw/zinc/93/20/85/1195932085.db2.gz IIBLEDLPMCSRFQ-UHFFFAOYSA-N 1 1 312.392 3.138 20 10 DGCDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ccc(N2CCCC2)cc1 ZINC001656947457 1196085504 /nfs/dbraw/zinc/08/55/04/1196085504.db2.gz ZACRXWKCLPWONT-QZTJIDSGSA-N 1 1 315.505 3.497 20 10 DGCDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NCc1ccc(N2CCCC2)cc1 ZINC001656947457 1196085507 /nfs/dbraw/zinc/08/55/07/1196085507.db2.gz ZACRXWKCLPWONT-QZTJIDSGSA-N 1 1 315.505 3.497 20 10 DGCDMO CCC[N@@H+](CC)C[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC001657472806 1196146179 /nfs/dbraw/zinc/14/61/79/1196146179.db2.gz DXYCZOYXCBCSEH-IJDCCNJMSA-N 1 1 303.494 3.476 20 10 DGCDMO CCCN(CC)C[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001657472806 1196146182 /nfs/dbraw/zinc/14/61/82/1196146182.db2.gz DXYCZOYXCBCSEH-IJDCCNJMSA-N 1 1 303.494 3.476 20 10 DGCDMO COCC[N@H+](Cc1cccs1)Cc1cc(F)c(F)cc1O ZINC001657625760 1196161765 /nfs/dbraw/zinc/16/17/65/1196161765.db2.gz MANFQOHMALPJHG-UHFFFAOYSA-N 1 1 313.369 3.381 20 10 DGCDMO COCC[N@@H+](Cc1cccs1)Cc1cc(F)c(F)cc1O ZINC001657625760 1196161768 /nfs/dbraw/zinc/16/17/68/1196161768.db2.gz MANFQOHMALPJHG-UHFFFAOYSA-N 1 1 313.369 3.381 20 10 DGCDMO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ncnn1C(C)(C)C ZINC001657860929 1196187363 /nfs/dbraw/zinc/18/73/63/1196187363.db2.gz RNTXIHDQHLQFFQ-UHFFFAOYSA-N 1 1 311.433 3.123 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC001657920940 1196194101 /nfs/dbraw/zinc/19/41/01/1196194101.db2.gz MXZOOWCPHLUYNR-UHFFFAOYSA-N 1 1 304.340 3.234 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCCC3(C)C)cc2)CC1 ZINC001658016318 1196202709 /nfs/dbraw/zinc/20/27/09/1196202709.db2.gz QBHWGXMKVDMUOQ-GOSISDBHSA-N 1 1 315.505 3.354 20 10 DGCDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1O ZINC001658280804 1196235246 /nfs/dbraw/zinc/23/52/46/1196235246.db2.gz PLNCMNJDCKNQBA-UHFFFAOYSA-N 1 1 307.825 3.437 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c(O)c1 ZINC001658294272 1196238065 /nfs/dbraw/zinc/23/80/65/1196238065.db2.gz QKDCRKTVZFUUMH-WMZOPIPTSA-N 1 1 307.434 3.345 20 10 DGCDMO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cccc(F)c2O)C1 ZINC001658375268 1196248268 /nfs/dbraw/zinc/24/82/68/1196248268.db2.gz QMGBWOCCHFPSKJ-TZMCWYRMSA-N 1 1 323.408 3.331 20 10 DGCDMO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cccc(F)c2O)C1 ZINC001658375268 1196248276 /nfs/dbraw/zinc/24/82/76/1196248276.db2.gz QMGBWOCCHFPSKJ-TZMCWYRMSA-N 1 1 323.408 3.331 20 10 DGCDMO CC[N@@H+]1C[C@@H](C)N(Cc2c(O)ccc(Cl)c2F)C[C@@H]1C ZINC001658441522 1196256238 /nfs/dbraw/zinc/25/62/38/1196256238.db2.gz IWPFDEVUOQARLA-WDEREUQCSA-N 1 1 300.805 3.099 20 10 DGCDMO CC[N@H+]1C[C@@H](C)N(Cc2c(O)ccc(Cl)c2F)C[C@@H]1C ZINC001658441522 1196256243 /nfs/dbraw/zinc/25/62/43/1196256243.db2.gz IWPFDEVUOQARLA-WDEREUQCSA-N 1 1 300.805 3.099 20 10 DGCDMO Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1[N+](=O)[O-] ZINC001658451850 1196259224 /nfs/dbraw/zinc/25/92/24/1196259224.db2.gz SVHDHQGLLBUBRX-UHFFFAOYSA-N 1 1 308.284 3.177 20 10 DGCDMO CC1(C)C[N@@H+](Cc2ccc(Br)cc2O)CCS1 ZINC001658489839 1196264917 /nfs/dbraw/zinc/26/49/17/1196264917.db2.gz MZQLEUJUCNKEKE-UHFFFAOYSA-N 1 1 316.264 3.482 20 10 DGCDMO CO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)C1(C)C ZINC001658693056 1196289181 /nfs/dbraw/zinc/28/91/81/1196289181.db2.gz JDDFDYLAPGHBIE-UONOGXRCSA-N 1 1 311.809 3.151 20 10 DGCDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cccc(CC)c2O)C1 ZINC001659009017 1196332129 /nfs/dbraw/zinc/33/21/29/1196332129.db2.gz FIRVKIHQJHWSLF-IBGZPJMESA-N 1 1 319.445 3.366 20 10 DGCDMO CCOC(=O)CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC001659144430 1196352296 /nfs/dbraw/zinc/35/22/96/1196352296.db2.gz GIZDKXUAFLWTIR-WAYWQWQTSA-N 1 1 316.445 3.183 20 10 DGCDMO C[C@@H](O)[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)c1ccccc1F ZINC001659585949 1196398152 /nfs/dbraw/zinc/39/81/52/1196398152.db2.gz FYMDOMFYAUCWPE-JDNHERCYSA-N 1 1 311.303 3.021 20 10 DGCDMO Cc1ccc(C[NH2+]Cc2cccc(Br)c2O)c(O)c1 ZINC001659683614 1196405132 /nfs/dbraw/zinc/40/51/32/1196405132.db2.gz KBBBDJMOVZOJIM-UHFFFAOYSA-N 1 1 322.202 3.459 20 10 DGCDMO CO[C@@H](C)C[N@@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001659723605 1196408820 /nfs/dbraw/zinc/40/88/20/1196408820.db2.gz OXKOOTRMAFVMPK-HNNXBMFYSA-N 1 1 302.418 3.383 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)cc1 ZINC001659755505 1196411175 /nfs/dbraw/zinc/41/11/75/1196411175.db2.gz QHTPTVJNEMZBON-KSZLIROESA-N 1 1 302.462 3.124 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC001659855673 1196421979 /nfs/dbraw/zinc/42/19/79/1196421979.db2.gz MJJCSCWMGIVHQL-MULDZMIYSA-N 1 1 302.487 3.451 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)C[C@]23CCC[C@H]2OCC3)c1O ZINC001660924035 1196543427 /nfs/dbraw/zinc/54/34/27/1196543427.db2.gz ADADHLFQMOAKKJ-SJLPKXTDSA-N 1 1 305.418 3.100 20 10 DGCDMO CC[N@@H+](CCc1ccccn1)Cc1c(C)cc(OC)cc1O ZINC001663869717 1196952782 /nfs/dbraw/zinc/95/27/82/1196952782.db2.gz CQRXHRRTYNJNKJ-UHFFFAOYSA-N 1 1 300.402 3.169 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC001664551986 1197013442 /nfs/dbraw/zinc/01/34/42/1197013442.db2.gz OGAWPZOQEZQCDQ-HNNXBMFYSA-N 1 1 319.445 3.286 20 10 DGCDMO CC[C@@H]1CN(C)CC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001664815464 1197061794 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SDAZCHGCULCTLZ-OAHLLOKOSA-N 1 1 320.433 3.408 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@@H](C(F)F)C3)cc2)CC1 ZINC001140285800 1091817264 /nfs/dbraw/zinc/81/72/64/1091817264.db2.gz QVZAOMMOIADFDZ-OAHLLOKOSA-N 1 1 324.415 3.125 20 10 DGCDMO Cc1ccc2c(n1)N(C)CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140338973 1091832882 /nfs/dbraw/zinc/83/28/82/1091832882.db2.gz BQIRHJNWGAIORF-UHFFFAOYSA-N 1 1 317.820 3.201 20 10 DGCDMO Oc1cc2c(cc1O)C[N@@H+](Cc1ccc(Cl)cc1O)CCC2 ZINC001140464550 1091875639 /nfs/dbraw/zinc/87/56/39/1091875639.db2.gz UOSRWQBGTHDJNX-UHFFFAOYSA-N 1 1 319.788 3.405 20 10 DGCDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3O)C2)nc1 ZINC001140464392 1091876723 /nfs/dbraw/zinc/87/67/23/1091876723.db2.gz NURXTUWOKMFSEK-OAHLLOKOSA-N 1 1 318.804 3.402 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]3CC(C)(C)C)cc2)CC1 ZINC001203048344 1091914138 /nfs/dbraw/zinc/91/41/38/1091914138.db2.gz NLVFPDZTJJNIBE-PKOBYXMFSA-N 1 1 315.505 3.353 20 10 DGCDMO Cc1ccc(F)cc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001140592402 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CC(C)[C@@H]1CNCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001235456022 1099045816 /nfs/dbraw/zinc/04/58/16/1099045816.db2.gz IGXWKDLIPDDHEB-IBGZPJMESA-N 1 1 301.478 3.107 20 10 DGCDMO CC(C)[C@@H]1CNCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001235456022 1099045829 /nfs/dbraw/zinc/04/58/29/1099045829.db2.gz IGXWKDLIPDDHEB-IBGZPJMESA-N 1 1 301.478 3.107 20 10 DGCDMO Cc1ccc2c(n1)N(CC1CC1)CC[N@H+](Cc1ccc(N)cc1)C2 ZINC001235635627 1099104590 /nfs/dbraw/zinc/10/45/90/1099104590.db2.gz XXJUTNHBLQXMCZ-UHFFFAOYSA-N 1 1 322.456 3.204 20 10 DGCDMO COC(=O)C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235679360 1099122550 /nfs/dbraw/zinc/12/25/50/1099122550.db2.gz DZDATGSCGFPJMR-CYBMUJFWSA-N 1 1 305.418 3.075 20 10 DGCDMO CC(C)(C)c1ccc(C[N@H+]2CCN(C(C)(C)C)C(=O)C2)c(O)c1 ZINC001235678619 1099122851 /nfs/dbraw/zinc/12/28/51/1099122851.db2.gz JOAWNQMKOSDGNL-UHFFFAOYSA-N 1 1 318.461 3.132 20 10 DGCDMO CC(C)(C)c1ccc(C[N@@H+]2CCN(C(C)(C)C)C(=O)C2)c(O)c1 ZINC001235678619 1099122854 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COC(=O)Cc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c(O)c1 ZINC001249208591 1105247514 /nfs/dbraw/zinc/24/75/14/1105247514.db2.gz XPIKPQRQVXYZGB-KRWDZBQOSA-N 1 1 311.381 3.055 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC[C@@H]1O ZINC001249223835 1105249455 /nfs/dbraw/zinc/24/94/55/1105249455.db2.gz OLSZXCCUACEHGO-BBRMVZONSA-N 1 1 317.429 3.169 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CCC[C@@H]1O ZINC001249224319 1105249481 /nfs/dbraw/zinc/24/94/81/1105249481.db2.gz XNMZSNVRWCGBNN-BBRMVZONSA-N 1 1 317.429 3.169 20 10 DGCDMO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249230525 1105251425 /nfs/dbraw/zinc/25/14/25/1105251425.db2.gz KBLWRFQDBHRLOG-UONOGXRCSA-N 1 1 316.445 3.101 20 10 DGCDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249230525 1105251427 /nfs/dbraw/zinc/25/14/27/1105251427.db2.gz KBLWRFQDBHRLOG-UONOGXRCSA-N 1 1 316.445 3.101 20 10 DGCDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249230525 1105251431 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CC(C)CC[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001256352550 1106408340 /nfs/dbraw/zinc/40/83/40/1106408340.db2.gz JYXCEXSTDRJYQU-QGZVFWFLSA-N 1 1 303.494 3.353 20 10 DGCDMO CCOC(=O)CC1CCC([N@@H+](C)Cc2ccccc2O)CC1 ZINC001258033839 1106662558 /nfs/dbraw/zinc/66/25/58/1106662558.db2.gz KIUKZFXSSBNXJX-UHFFFAOYSA-N 1 1 305.418 3.336 20 10 DGCDMO COc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](SC)C2)c(O)c1OC ZINC001262357187 1107686580 /nfs/dbraw/zinc/68/65/80/1107686580.db2.gz BSCHMLKRCRXYGM-QWHCGFSZSA-N 1 1 311.447 3.125 20 10 DGCDMO Cc1ccc(CN2CCC[N@@H+](Cc3ccc(N)cc3)CC2)cc1 ZINC001262486932 1107718102 /nfs/dbraw/zinc/71/81/02/1107718102.db2.gz FRAVFUQDLAYBAR-UHFFFAOYSA-N 1 1 309.457 3.285 20 10 DGCDMO Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(N)cc3)CC2)cc1 ZINC001262486932 1107718116 /nfs/dbraw/zinc/71/81/16/1107718116.db2.gz FRAVFUQDLAYBAR-UHFFFAOYSA-N 1 1 309.457 3.285 20 10 DGCDMO Cc1ccc(C[N@H+]2CCCN(Cc3ccc(N)cc3)CC2)cc1 ZINC001262486932 1107718130 /nfs/dbraw/zinc/71/81/30/1107718130.db2.gz 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C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC[NH+]1C ZINC001324745710 1108449389 /nfs/dbraw/zinc/44/93/89/1108449389.db2.gz FAKPBHBRIYQZLQ-VQIMIIECSA-N 1 1 301.478 3.201 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC001325022434 1108558712 /nfs/dbraw/zinc/55/87/12/1108558712.db2.gz FDWVVIRQJVSIFL-WOJBJXKFSA-N 1 1 312.457 3.430 20 10 DGCDMO c1c[nH]c([C@@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001319696398 1108598216 /nfs/dbraw/zinc/59/82/16/1108598216.db2.gz RVVMLFAULAQQLD-QGZVFWFLSA-N 1 1 310.445 3.390 20 10 DGCDMO c1cc(N2CCCC2)ccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC001319711309 1108604113 /nfs/dbraw/zinc/60/41/13/1108604113.db2.gz IKMJJXGNLCMBOG-LJQANCHMSA-N 1 1 313.489 3.205 20 10 DGCDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001319717059 1108608090 /nfs/dbraw/zinc/60/80/90/1108608090.db2.gz KGKAYNOIMZDCOT-FXAWDEMLSA-N 1 1 315.505 3.449 20 10 DGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001319717059 1108608096 /nfs/dbraw/zinc/60/80/96/1108608096.db2.gz KGKAYNOIMZDCOT-FXAWDEMLSA-N 1 1 315.505 3.449 20 10 DGCDMO Cc1cc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)ccc1N(C)C ZINC001307827369 1111343568 /nfs/dbraw/zinc/34/35/68/1111343568.db2.gz ISVGCDGMFMJCHW-OAHLLOKOSA-N 1 1 320.477 3.471 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCCOc1ccc(F)cc1 ZINC001308230078 1111401222 /nfs/dbraw/zinc/40/12/22/1111401222.db2.gz SABRHUSWXUERKE-UHFFFAOYSA-N 1 1 311.303 3.368 20 10 DGCDMO Cc1ccc(NC(=O)CN(C)Cc2cc(F)c(F)cc2[O-])cc1 ZINC001308602030 1111450119 /nfs/dbraw/zinc/45/01/19/1111450119.db2.gz QRFNTXMWCOGPCN-UHFFFAOYSA-N 1 1 320.339 3.049 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CCC[C@@H](C)C2)c2cc(F)ccc2n1C ZINC001308647277 1111455803 /nfs/dbraw/zinc/45/58/03/1111455803.db2.gz HTYVVRFRHNKJGO-GFCCVEGCSA-N 1 1 318.392 3.336 20 10 DGCDMO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1cccc(F)c1O)CCC2 ZINC001308665618 1111457584 /nfs/dbraw/zinc/45/75/84/1111457584.db2.gz BXRRHAZDBOGNCX-OAHLLOKOSA-N 1 1 303.381 3.476 20 10 DGCDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)cc(F)c1O ZINC001308713345 1111465305 /nfs/dbraw/zinc/46/53/05/1111465305.db2.gz XXQJXYYZXPJPGV-UHFFFAOYSA-N 1 1 322.311 3.253 20 10 DGCDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)cc(F)c1O ZINC001308713345 1111465309 /nfs/dbraw/zinc/46/53/09/1111465309.db2.gz XXQJXYYZXPJPGV-UHFFFAOYSA-N 1 1 322.311 3.253 20 10 DGCDMO Cc1cccc2c1OC[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)C2 ZINC001308801036 1111477373 /nfs/dbraw/zinc/47/73/73/1111477373.db2.gz FVEHBGKUEKQDGV-ZDUSSCGKSA-N 1 1 305.324 3.072 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC001308801216 1111477409 /nfs/dbraw/zinc/47/74/09/1111477409.db2.gz IDPJNEBPUIFMJN-UHFFFAOYSA-N 1 1 317.772 3.419 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC001308801216 1111477412 /nfs/dbraw/zinc/47/74/12/1111477412.db2.gz IDPJNEBPUIFMJN-UHFFFAOYSA-N 1 1 317.772 3.419 20 10 DGCDMO CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001308920126 1111493717 /nfs/dbraw/zinc/49/37/17/1111493717.db2.gz ZWKMLGMQTHXQRB-PMACEKPBSA-N 1 1 315.505 3.353 20 10 DGCDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1O ZINC000179570290 432063178 /nfs/dbraw/zinc/06/31/78/432063178.db2.gz WNSVMLGMMWJULK-UHFFFAOYSA-N 1 1 312.413 3.116 20 10 DGCDMO Cc1cccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)c1O ZINC000179570183 432062643 /nfs/dbraw/zinc/06/26/43/432062643.db2.gz SRAOQMPJJDQFIL-UHFFFAOYSA-N 1 1 312.413 3.388 20 10 DGCDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccccc1O ZINC000179585137 432063550 /nfs/dbraw/zinc/06/35/50/432063550.db2.gz PISXLGGYPIOIFG-ZSEKCTLFSA-N 1 1 303.427 3.323 20 10 DGCDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2O)C1)CC(F)(F)F ZINC000179582410 432063583 /nfs/dbraw/zinc/06/35/83/432063583.db2.gz YXKPLTPXCBBZHD-CYBMUJFWSA-N 1 1 316.367 3.098 20 10 DGCDMO COC(=O)c1cc(C[N@@H+](C)Cc2cccc(C)c2O)oc1C ZINC000179633855 432065545 /nfs/dbraw/zinc/06/55/45/432065545.db2.gz YQQPDIMMNWJDLY-UHFFFAOYSA-N 1 1 303.358 3.021 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000091958680 193132115 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DGCDMO C[C@@H](NCc1ccc(N(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272742558 130059800 /nfs/dbraw/zinc/05/98/00/130059800.db2.gz BFSUCUKWTQXJHO-SJLPKXTDSA-N 1 1 315.505 3.495 20 10 DGCDMO C[C@@H](NCc1ccc(N(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272742558 130059802 /nfs/dbraw/zinc/05/98/02/130059802.db2.gz BFSUCUKWTQXJHO-SJLPKXTDSA-N 1 1 315.505 3.495 20 10 DGCDMO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)c2c(F)cccc2F)c1 ZINC000273526985 130132155 /nfs/dbraw/zinc/13/21/55/130132155.db2.gz VMCJIAPVSVZCJJ-IAQYHMDHSA-N 1 1 307.340 3.363 20 10 DGCDMO COCCC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CCC1 ZINC000273556269 130136156 /nfs/dbraw/zinc/13/61/56/130136156.db2.gz GXAQBDABHVNFIY-CYBMUJFWSA-N 1 1 321.417 3.036 20 10 DGCDMO CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)c1ccncc1 ZINC000273587984 130140582 /nfs/dbraw/zinc/14/05/82/130140582.db2.gz OJKGYCIYYHIGNX-WBMJQRKESA-N 1 1 314.385 3.376 20 10 DGCDMO CC[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(F)cc1O ZINC000285883000 131206908 /nfs/dbraw/zinc/20/69/08/131206908.db2.gz ZPMCFKMUDAPHFF-INIZCTEOSA-N 1 1 313.376 3.462 20 10 DGCDMO CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(F)cc1O ZINC000286036788 131217042 /nfs/dbraw/zinc/21/70/42/131217042.db2.gz KKGMESWMYUJTTE-WMZOPIPTSA-N 1 1 303.377 3.480 20 10 DGCDMO COCCC[N@@H+](Cc1ccncc1)Cc1cccc(C)c1O ZINC000289179801 131364144 /nfs/dbraw/zinc/36/41/44/131364144.db2.gz AHFXIOTXMJGICX-UHFFFAOYSA-N 1 1 300.402 3.134 20 10 DGCDMO COCCC[N@@H+](Cc1ccncc1)Cc1c(O)cccc1Cl ZINC000289471704 131389063 /nfs/dbraw/zinc/38/90/63/131389063.db2.gz PNTSYWBOHUSKMA-UHFFFAOYSA-N 1 1 320.820 3.479 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cc1C ZINC000182093742 228366776 /nfs/dbraw/zinc/36/67/76/228366776.db2.gz CLMPTIMPKHINCH-MRXNPFEDSA-N 1 1 313.445 3.197 20 10 DGCDMO COc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1O ZINC000092486449 274146068 /nfs/dbraw/zinc/14/60/68/274146068.db2.gz BMAMFFRUWVKJKP-RDTXWAMCSA-N 1 1 313.397 3.363 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c1O ZINC000271047572 276379751 /nfs/dbraw/zinc/37/97/51/276379751.db2.gz SGUUGZYUMDVVDZ-SFHVURJKSA-N 1 1 313.397 3.364 20 10 DGCDMO C[NH+]1CCC2(CCC[N@H+]2Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000365266413 277038449 /nfs/dbraw/zinc/03/84/49/277038449.db2.gz WNGMBANNTGWRPS-UHFFFAOYSA-N 1 1 312.816 3.245 20 10 DGCDMO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)Cc1ccccc1O ZINC000109773520 431179229 /nfs/dbraw/zinc/17/92/29/431179229.db2.gz LIGRWXGZVMOQQM-OAHLLOKOSA-N 1 1 316.445 3.219 20 10 DGCDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000001461281 431229514 /nfs/dbraw/zinc/22/95/14/431229514.db2.gz QVCOJNSOQPFNPA-HNNXBMFYSA-N 1 1 313.397 3.321 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCc1ccncc1)C[C@@H]1CCCO1 ZINC000112600310 431287806 /nfs/dbraw/zinc/28/78/06/431287806.db2.gz MOGKVKPDJPIMBF-SFHVURJKSA-N 1 1 312.413 3.011 20 10 DGCDMO C[C@H](c1nc(-c2cccnc2)no1)[N@H+](C)Cc1ccccc1O ZINC000112981661 431317890 /nfs/dbraw/zinc/31/78/90/431317890.db2.gz ZQQRMFDAQMKRDK-GFCCVEGCSA-N 1 1 310.357 3.030 20 10 DGCDMO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+](C)Cc1ccccc1O ZINC000112981661 431317899 /nfs/dbraw/zinc/31/78/99/431317899.db2.gz ZQQRMFDAQMKRDK-GFCCVEGCSA-N 1 1 310.357 3.030 20 10 DGCDMO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1ccccc1O ZINC000121143065 431748630 /nfs/dbraw/zinc/74/86/30/431748630.db2.gz CNAHBKXCZZYZET-SOUVJXGZSA-N 1 1 304.434 3.002 20 10 DGCDMO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649130 431849657 /nfs/dbraw/zinc/84/96/57/431849657.db2.gz CHCWYTLDXHTHGT-SNVBAGLBSA-N 1 1 315.244 3.273 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000093691081 431917992 /nfs/dbraw/zinc/91/79/92/431917992.db2.gz BQQXBWSHEHYEHE-OAHLLOKOSA-N 1 1 304.777 3.094 20 10 DGCDMO CC1([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)OCCO1 ZINC000183239404 432272563 /nfs/dbraw/zinc/27/25/63/432272563.db2.gz SCZOSZFJFGQSFM-ZDUSSCGKSA-N 1 1 311.809 3.021 20 10 DGCDMO CC1([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)OCCO1 ZINC000183239381 432272841 /nfs/dbraw/zinc/27/28/41/432272841.db2.gz SCZOSZFJFGQSFM-CYBMUJFWSA-N 1 1 311.809 3.021 20 10 DGCDMO CCc1nnc([C@@H](C)[NH2+][C@H](CC)c2ccc(N(C)C)cc2)[nH]1 ZINC000271443596 432397673 /nfs/dbraw/zinc/39/76/73/432397673.db2.gz FKTXFCXTMJXBLY-IUODEOHRSA-N 1 1 301.438 3.235 20 10 DGCDMO CC(=O)N1CC[N@@H+](Cc2cc(C)ccc2O)CC12CCCCC2 ZINC000271299978 432370787 /nfs/dbraw/zinc/37/07/87/432370787.db2.gz TYTKAELQJKJUST-UHFFFAOYSA-N 1 1 316.445 3.068 20 10 DGCDMO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192922985 432429101 /nfs/dbraw/zinc/42/91/01/432429101.db2.gz XOGVJDVRIZOQAW-INIZCTEOSA-N 1 1 314.404 3.143 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C)CCc2nccs2)c1O ZINC000184701420 432422149 /nfs/dbraw/zinc/42/21/49/432422149.db2.gz SSIUFISABYBYQT-UHFFFAOYSA-N 1 1 312.822 3.185 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CSC)c1O ZINC000184700057 432422841 /nfs/dbraw/zinc/42/28/41/432422841.db2.gz BMNSDGJQFSFNBQ-GFCCVEGCSA-N 1 1 301.839 3.382 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O ZINC000185442426 432500089 /nfs/dbraw/zinc/50/00/89/432500089.db2.gz YOQRUPFEDFUTGJ-YPMHNXCESA-N 1 1 324.396 3.191 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000193929040 432510750 /nfs/dbraw/zinc/51/07/50/432510750.db2.gz YHJNNTJOKWAEEC-ZDUSSCGKSA-N 1 1 306.450 3.314 20 10 DGCDMO COc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2O)c1OC ZINC000185076857 432464189 /nfs/dbraw/zinc/46/41/89/432464189.db2.gz ZBNZLUWKEPXGTH-LLVKDONJSA-N 1 1 305.349 3.399 20 10 DGCDMO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)C1 ZINC000185657427 432519695 /nfs/dbraw/zinc/51/96/95/432519695.db2.gz JRDJJEMLORZWLR-GCAAKWKVSA-N 1 1 313.438 3.262 20 10 DGCDMO CCNC(=O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000268303955 432862392 /nfs/dbraw/zinc/86/23/92/432862392.db2.gz OVNBSUMYBQCXIZ-HNNXBMFYSA-N 1 1 312.413 3.092 20 10 DGCDMO C[C@H](c1ccc(F)cc1O)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296587635 432922939 /nfs/dbraw/zinc/92/29/39/432922939.db2.gz UTSHJXTWWGWKMO-OLZOCXBDSA-N 1 1 322.424 3.206 20 10 DGCDMO C[C@H](c1ccc(F)cc1O)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296587635 432922943 /nfs/dbraw/zinc/92/29/43/432922943.db2.gz UTSHJXTWWGWKMO-OLZOCXBDSA-N 1 1 322.424 3.206 20 10 DGCDMO C[C@@H](c1cc(F)ccc1O)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296473755 432911660 /nfs/dbraw/zinc/91/16/60/432911660.db2.gz NWKCNZQLWZXDSY-STQMWFEESA-N 1 1 322.424 3.206 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1C ZINC000289699145 432970551 /nfs/dbraw/zinc/97/05/51/432970551.db2.gz ONQIFPFUUHOWGF-KBPBESRZSA-N 1 1 317.351 3.002 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2ccncc2)cc1OC ZINC000289972918 432981265 /nfs/dbraw/zinc/98/12/65/432981265.db2.gz ZFXMYTSVEYKUFT-HNNXBMFYSA-N 1 1 314.385 3.142 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290901149 433205016 /nfs/dbraw/zinc/20/50/16/433205016.db2.gz MCNCOGAVXYMKPD-LLVKDONJSA-N 1 1 312.200 3.343 20 10 DGCDMO C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(F)cc1O ZINC000281434509 433303270 /nfs/dbraw/zinc/30/32/70/433303270.db2.gz CIEPMENKFPMXEX-LLVKDONJSA-N 1 1 321.421 3.307 20 10 DGCDMO COC[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000375096241 433360615 /nfs/dbraw/zinc/36/06/15/433360615.db2.gz DKJGWQIOAHIKLD-GFCCVEGCSA-N 1 1 313.825 3.303 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000375298049 433417379 /nfs/dbraw/zinc/41/73/79/433417379.db2.gz QQLZPSASNYVMTP-QGZVFWFLSA-N 1 1 305.418 3.182 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](O)C23CCCC3)c1O ZINC000292572970 433579046 /nfs/dbraw/zinc/57/90/46/433579046.db2.gz BVZUZFXFXXQTOG-OAHLLOKOSA-N 1 1 323.820 3.128 20 10 DGCDMO CCCC[N@@H+](CC(=O)N1CCCCC1)Cc1ccccc1O ZINC000282501970 433615250 /nfs/dbraw/zinc/61/52/50/433615250.db2.gz QWKGKHJKCOPSOO-UHFFFAOYSA-N 1 1 304.434 3.007 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1C ZINC000284973617 433911831 /nfs/dbraw/zinc/91/18/31/433911831.db2.gz BGVXZOLHVVJXAO-OAHLLOKOSA-N 1 1 317.351 3.288 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000377836165 434013910 /nfs/dbraw/zinc/01/39/10/434013910.db2.gz ZGRTZDRQUNOPCC-HUUCEWRRSA-N 1 1 305.418 3.039 20 10 DGCDMO CC[C@H](c1ccccc1O)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000294789032 434147620 /nfs/dbraw/zinc/14/76/20/434147620.db2.gz LTLJENPKHTXRSF-ZMSDIMECSA-N 1 1 324.424 3.124 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H](CO)c1ccccc1 ZINC000295039710 434163919 /nfs/dbraw/zinc/16/39/19/434163919.db2.gz MMJJHQAVQWOFRR-HNNXBMFYSA-N 1 1 309.768 3.350 20 10 DGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H](CO)c1ccccc1 ZINC000295039710 434163926 /nfs/dbraw/zinc/16/39/26/434163926.db2.gz MMJJHQAVQWOFRR-HNNXBMFYSA-N 1 1 309.768 3.350 20 10 DGCDMO CC[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(F)cc1O ZINC000286202109 434195579 /nfs/dbraw/zinc/19/55/79/434195579.db2.gz RISPEJPHNSBQIE-HNNXBMFYSA-N 1 1 303.381 3.233 20 10 DGCDMO CC[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(F)cc1O ZINC000286202112 434196229 /nfs/dbraw/zinc/19/62/29/434196229.db2.gz RISPEJPHNSBQIE-OAHLLOKOSA-N 1 1 303.381 3.233 20 10 DGCDMO OC[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000368013518 434563788 /nfs/dbraw/zinc/56/37/88/434563788.db2.gz BJDXSQQHAAUPID-IBGZPJMESA-N 1 1 322.452 3.064 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1F ZINC000371140826 434645019 /nfs/dbraw/zinc/64/50/19/434645019.db2.gz UCPZGYHPTVOWTQ-OAHLLOKOSA-N 1 1 316.424 3.042 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccc(F)cc1O ZINC000371869686 434763355 /nfs/dbraw/zinc/76/33/55/434763355.db2.gz JVXDHMHAIJTRGN-KPZWWZAWSA-N 1 1 301.361 3.496 20 10 DGCDMO CCOc1cccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c1O ZINC000372403829 434820244 /nfs/dbraw/zinc/82/02/44/434820244.db2.gz HKZIRHIURMQKHV-QGZVFWFLSA-N 1 1 313.397 3.364 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)c1O ZINC000372403829 434820248 /nfs/dbraw/zinc/82/02/48/434820248.db2.gz HKZIRHIURMQKHV-QGZVFWFLSA-N 1 1 313.397 3.364 20 10 DGCDMO Cc1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccn1 ZINC000527536343 435013078 /nfs/dbraw/zinc/01/30/78/435013078.db2.gz WRQDCIRQHPJACG-GOSISDBHSA-N 1 1 312.413 3.277 20 10 DGCDMO C[C@@H](C[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O)C1CCCCC1 ZINC000530109163 313321126 /nfs/dbraw/zinc/32/11/26/313321126.db2.gz WTVOKDWRFHKUPO-UGSOOPFHSA-N 1 1 319.445 3.466 20 10 DGCDMO Oc1ccccc1C[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000179568446 534457076 /nfs/dbraw/zinc/45/70/76/534457076.db2.gz UAUJEJLZFOAROT-KRWDZBQOSA-N 1 1 305.324 3.244 20 10 DGCDMO Oc1ccccc1C[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000179568446 534457081 /nfs/dbraw/zinc/45/70/81/534457081.db2.gz UAUJEJLZFOAROT-KRWDZBQOSA-N 1 1 305.324 3.244 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c(O)c1 ZINC000131926228 520347838 /nfs/dbraw/zinc/34/78/38/520347838.db2.gz GOWKKAGBIULUFB-KRWDZBQOSA-N 1 1 315.417 3.252 20 10 DGCDMO CCC[N@H+](Cc1ncnn1CC(C)C)Cc1ccccc1O ZINC000182817217 521695056 /nfs/dbraw/zinc/69/50/56/521695056.db2.gz PSKILLVCCJTONV-UHFFFAOYSA-N 1 1 302.422 3.052 20 10 DGCDMO CCC[N@@H+](Cc1ncnn1CC(C)C)Cc1ccccc1O ZINC000182817217 521695058 /nfs/dbraw/zinc/69/50/58/521695058.db2.gz PSKILLVCCJTONV-UHFFFAOYSA-N 1 1 302.422 3.052 20 10 DGCDMO CCSCC[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000180670812 521711921 /nfs/dbraw/zinc/71/19/21/521711921.db2.gz PNWKHMZQXDWBPR-GFCCVEGCSA-N 1 1 313.463 3.373 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCCC[C@H](SC)C2)cc1OC ZINC000180763370 522772096 /nfs/dbraw/zinc/77/20/96/522772096.db2.gz LGGRHUZMDXFCBO-ZDUSSCGKSA-N 1 1 311.447 3.127 20 10 DGCDMO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1O ZINC000180765582 524402284 /nfs/dbraw/zinc/40/22/84/524402284.db2.gz QQMLAXWETUJOLO-CRAIPNDOSA-N 1 1 300.446 3.149 20 10 DGCDMO Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1O ZINC000180765582 524402291 /nfs/dbraw/zinc/40/22/91/524402291.db2.gz QQMLAXWETUJOLO-CRAIPNDOSA-N 1 1 300.446 3.149 20 10 DGCDMO Cc1cccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000179718720 524404116 /nfs/dbraw/zinc/40/41/16/524404116.db2.gz IWVPWXDWBPHROD-KRWDZBQOSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000191612144 524470142 /nfs/dbraw/zinc/47/01/42/524470142.db2.gz QGXZKQDQEJJSGE-CZUORRHYSA-N 1 1 303.377 3.094 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)c1 ZINC000181012313 524735740 /nfs/dbraw/zinc/73/57/40/524735740.db2.gz JBWRSUINZBBIPQ-UHFFFAOYSA-N 1 1 311.303 3.450 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(F)cc1O ZINC000184984118 525526938 /nfs/dbraw/zinc/52/69/38/525526938.db2.gz PRNGECOXAYHRCP-CYBMUJFWSA-N 1 1 315.392 3.377 20 10 DGCDMO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000180271202 526349654 /nfs/dbraw/zinc/34/96/54/526349654.db2.gz ZNMDLUJMBGSTGE-GDBMZVCRSA-N 1 1 305.349 3.212 20 10 DGCDMO Clc1c[nH+]ccc1NCc1ccc(N2CCOCC2)cc1 ZINC000267284519 527000174 /nfs/dbraw/zinc/00/01/74/527000174.db2.gz PRWDZQHBHJDKMO-UHFFFAOYSA-N 1 1 303.793 3.184 20 10 DGCDMO CCOC(=O)N1CCC([NH2+][C@H](CC)c2ccc(F)cc2O)CC1 ZINC000285820304 535770489 /nfs/dbraw/zinc/77/04/89/535770489.db2.gz WHPYLQAWDJJBJP-OAHLLOKOSA-N 1 1 324.396 3.193 20 10 DGCDMO CN1CCC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000731041543 574541931 /nfs/dbraw/zinc/54/19/31/574541931.db2.gz FYQLMYCJYFCCND-MRXNPFEDSA-N 1 1 310.441 3.491 20 10 DGCDMO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C1=CC(=O)CS1 ZINC000731866423 574560322 /nfs/dbraw/zinc/56/03/22/574560322.db2.gz NFBZSGUSCJZPMA-LBPRGKRZSA-N 1 1 322.455 3.082 20 10 DGCDMO Cc1cc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000736600167 574760177 /nfs/dbraw/zinc/76/01/77/574760177.db2.gz SEZVQOOPAOBMBB-OKHZJLECSA-N 1 1 323.502 3.339 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000736600167 574760180 /nfs/dbraw/zinc/76/01/80/574760180.db2.gz SEZVQOOPAOBMBB-OKHZJLECSA-N 1 1 323.502 3.339 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H]1c1ccccc1)CCC2 ZINC000743403717 575049775 /nfs/dbraw/zinc/04/97/75/575049775.db2.gz XGPCVQXXSGLNOZ-IBGZPJMESA-N 1 1 309.409 3.454 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCOC[C@H]1c1ccccc1)CCC2 ZINC000743403717 575049776 /nfs/dbraw/zinc/04/97/76/575049776.db2.gz XGPCVQXXSGLNOZ-IBGZPJMESA-N 1 1 309.409 3.454 20 10 DGCDMO CCCC[N@@H+]1CCCC[C@@H]1CNCc1ccc2c(c1)CCO2 ZINC000729682745 575260311 /nfs/dbraw/zinc/26/03/11/575260311.db2.gz GIQJWAWIEXTYOU-GOSISDBHSA-N 1 1 302.462 3.366 20 10 DGCDMO CCCC[N@H+]1CCCC[C@@H]1CNCc1ccc2c(c1)CCO2 ZINC000729682745 575260312 /nfs/dbraw/zinc/26/03/12/575260312.db2.gz GIQJWAWIEXTYOU-GOSISDBHSA-N 1 1 302.462 3.366 20 10 DGCDMO CN(C)c1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000747530558 575523386 /nfs/dbraw/zinc/52/33/86/575523386.db2.gz PZEKUTKSJODFLJ-UHFFFAOYSA-N 1 1 317.364 3.432 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000747530558 575523390 /nfs/dbraw/zinc/52/33/90/575523390.db2.gz PZEKUTKSJODFLJ-UHFFFAOYSA-N 1 1 317.364 3.432 20 10 DGCDMO CC(C)(C)[N@H+]1CCCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000748082338 575560655 /nfs/dbraw/zinc/56/06/55/575560655.db2.gz IUKCPANHJSSMOR-UHFFFAOYSA-N 1 1 302.462 3.187 20 10 DGCDMO CC(C)(C)N1CCC[N@H+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000748082338 575560657 /nfs/dbraw/zinc/56/06/57/575560657.db2.gz IUKCPANHJSSMOR-UHFFFAOYSA-N 1 1 302.462 3.187 20 10 DGCDMO CC(C)(C)N1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000748082338 575560659 /nfs/dbraw/zinc/56/06/59/575560659.db2.gz IUKCPANHJSSMOR-UHFFFAOYSA-N 1 1 302.462 3.187 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000749799942 575679468 /nfs/dbraw/zinc/67/94/68/575679468.db2.gz PZUYCYIFTWIBMD-KGLIPLIRSA-N 1 1 319.445 3.254 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H]3COC[C@H]3C2)ccc1N1CCCCC1 ZINC000852663951 620638706 /nfs/dbraw/zinc/63/87/06/620638706.db2.gz AIDAJEUNJDKQQZ-RBUKOAKNSA-N 1 1 314.473 3.454 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCS1 ZINC000769446879 620885768 /nfs/dbraw/zinc/88/57/68/620885768.db2.gz QBEBGJANSMWEDO-GFCCVEGCSA-N 1 1 316.264 3.482 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)ccc1[O-] ZINC000853240019 620681042 /nfs/dbraw/zinc/68/10/42/620681042.db2.gz LOZBBPQQJBDKKR-HIFRSBDPSA-N 1 1 306.425 3.304 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(F)ccc1[O-] ZINC000853240019 620681043 /nfs/dbraw/zinc/68/10/43/620681043.db2.gz LOZBBPQQJBDKKR-HIFRSBDPSA-N 1 1 306.425 3.304 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC3=C(CCC(=O)N3)C2)cc1C(C)C ZINC000853520935 620705964 /nfs/dbraw/zinc/70/59/64/620705964.db2.gz PVKIAULMUPUJQO-UHFFFAOYSA-N 1 1 314.429 3.194 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3C[C@H]4COC[C@]4(C)C3)c2c1 ZINC000853567106 620710073 /nfs/dbraw/zinc/71/00/73/620710073.db2.gz SYBGUUKHKPWYGG-LIRRHRJNSA-N 1 1 313.397 3.022 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c(O)c(C(C)(C)C)c1 ZINC000853565087 620710157 /nfs/dbraw/zinc/71/01/57/620710157.db2.gz AFJLZWOLGJGARC-DNVCBOLYSA-N 1 1 303.446 3.466 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1O ZINC000853595404 620713401 /nfs/dbraw/zinc/71/34/01/620713401.db2.gz OVWZZTCNGUWKSB-QGZVFWFLSA-N 1 1 313.397 3.363 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)c(O)c1OC ZINC000891563814 617836064 /nfs/dbraw/zinc/83/60/64/617836064.db2.gz GDOSUKFHLJWVDZ-UHFFFAOYSA-N 1 1 322.792 3.090 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1)CCC2 ZINC000853611476 620716362 /nfs/dbraw/zinc/71/63/62/620716362.db2.gz OHBUIEPLAGWVFX-AWEZNQCLSA-N 1 1 315.335 3.034 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](CC(F)(F)F)C1)CCC2 ZINC000853611476 620716365 /nfs/dbraw/zinc/71/63/65/620716365.db2.gz OHBUIEPLAGWVFX-AWEZNQCLSA-N 1 1 315.335 3.034 20 10 DGCDMO CCc1nc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc(C)[nH+]1 ZINC000853760615 620735031 /nfs/dbraw/zinc/73/50/31/620735031.db2.gz LHMKLHNWKHWXEY-CQSZACIVSA-N 1 1 312.417 3.047 20 10 DGCDMO Cc1cc(NCc2cc(Br)ccc2O)nc(C)[nH+]1 ZINC000804828253 617680111 /nfs/dbraw/zinc/68/01/11/617680111.db2.gz LTTGFOYQMAEKBP-UHFFFAOYSA-N 1 1 308.179 3.174 20 10 DGCDMO CC[N@@H+](Cc1cn2ccnc2s1)Cc1ccc(N(C)C)cc1 ZINC000891435358 617798272 /nfs/dbraw/zinc/79/82/72/617798272.db2.gz AHLAZAHRUWZIRO-UHFFFAOYSA-N 1 1 314.458 3.484 20 10 DGCDMO CC[N@@H+](Cc1cnn(C)c1C1CC1)Cc1ccc(N(C)C)cc1 ZINC000891436814 617798792 /nfs/dbraw/zinc/79/87/92/617798792.db2.gz QAWGFHHKOAQNDU-UHFFFAOYSA-N 1 1 312.461 3.386 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)cc2)c(O)c1OC ZINC000891474139 617809205 /nfs/dbraw/zinc/80/92/05/617809205.db2.gz MCYNUPWKXOBLRC-UHFFFAOYSA-N 1 1 301.386 3.350 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](Cc2c3c(nn2C)CCC3)C2CC2)cc1 ZINC000891596178 617846785 /nfs/dbraw/zinc/84/67/85/617846785.db2.gz NHZFITRRTBWHHV-UHFFFAOYSA-N 1 1 324.472 3.139 20 10 DGCDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c(O)c1OC ZINC000891630137 617856521 /nfs/dbraw/zinc/85/65/21/617856521.db2.gz LOFUMKUQZBMVOR-HNNXBMFYSA-N 1 1 314.385 3.142 20 10 DGCDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(OC)c(OC)c1O ZINC000891678727 617867079 /nfs/dbraw/zinc/86/70/79/617867079.db2.gz VLJDGTDRTUUGPI-UHFFFAOYSA-N 1 1 311.422 3.046 20 10 DGCDMO CCC[N@H+](Cc1ccc(OC)c(OC)c1O)C[C@H]1CCCCO1 ZINC000891944113 617930563 /nfs/dbraw/zinc/93/05/63/617930563.db2.gz YJQFFTCIHFLEKD-OAHLLOKOSA-N 1 1 323.433 3.191 20 10 DGCDMO CC(C)[N@@H+](CCCc1cnn(C)c1)Cc1ccc(N(C)C)cc1 ZINC000919770969 620765264 /nfs/dbraw/zinc/76/52/64/620765264.db2.gz YHBYHWATKXLUBW-UHFFFAOYSA-N 1 1 314.477 3.329 20 10 DGCDMO C[C@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000920181086 620789112 /nfs/dbraw/zinc/78/91/12/620789112.db2.gz XKQMONVKMYVDLZ-HOTGVXAUSA-N 1 1 316.489 3.468 20 10 DGCDMO CCCN1CCC([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840894680 618342944 /nfs/dbraw/zinc/34/29/44/618342944.db2.gz RWTVMYJUEQVJQD-QGZVFWFLSA-N 1 1 317.521 3.456 20 10 DGCDMO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3C)C2)n1 ZINC000840910841 618524443 /nfs/dbraw/zinc/52/44/43/618524443.db2.gz MXBQPZAWBUPSEZ-INIZCTEOSA-N 1 1 314.433 3.132 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCCc3c(cnn3C)C2)c(Cl)c1 ZINC000840954526 618625111 /nfs/dbraw/zinc/62/51/11/618625111.db2.gz JPARYCVQNACPLW-UHFFFAOYSA-N 1 1 305.809 3.036 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC000840970355 618646421 /nfs/dbraw/zinc/64/64/21/618646421.db2.gz PWVBQPIRAZDRMB-QGZVFWFLSA-N 1 1 305.418 3.038 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000893871718 618669411 /nfs/dbraw/zinc/66/94/11/618669411.db2.gz MMVNSMDMYVSOQE-UHFFFAOYSA-N 1 1 324.428 3.357 20 10 DGCDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894019731 618693456 /nfs/dbraw/zinc/69/34/56/618693456.db2.gz BNYDOHAGGHCWFK-LLVKDONJSA-N 1 1 307.340 3.439 20 10 DGCDMO C[N@H+](Cc1cc(F)cc(F)c1O)[C@H](CCO)c1ccccc1 ZINC000894025966 618696745 /nfs/dbraw/zinc/69/67/45/618696745.db2.gz AVLAREAZHCMQCL-MRXNPFEDSA-N 1 1 307.340 3.226 20 10 DGCDMO C[N@@H+](Cc1cc(F)cc(F)c1O)[C@H](CCO)c1ccccc1 ZINC000894025966 618696747 /nfs/dbraw/zinc/69/67/47/618696747.db2.gz AVLAREAZHCMQCL-MRXNPFEDSA-N 1 1 307.340 3.226 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC000894057376 618701472 /nfs/dbraw/zinc/70/14/72/618701472.db2.gz CAFBNAJAGPNTPV-CQSZACIVSA-N 1 1 321.417 3.015 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC000894057376 618701473 /nfs/dbraw/zinc/70/14/73/618701473.db2.gz CAFBNAJAGPNTPV-CQSZACIVSA-N 1 1 321.417 3.015 20 10 DGCDMO COc1ccc(C[N@H+]2CCC[C@H](C3CCC3)C2)c(O)c1OC ZINC000895449489 618786201 /nfs/dbraw/zinc/78/62/01/618786201.db2.gz QALJSQYSRQCNBU-AWEZNQCLSA-N 1 1 305.418 3.422 20 10 DGCDMO CCOc1ccc(NCc2ccc(OC)c(OC)c2O)[nH+]c1C ZINC000895459890 618786981 /nfs/dbraw/zinc/78/69/81/618786981.db2.gz AHLYYPBXVHCKPP-UHFFFAOYSA-N 1 1 318.373 3.124 20 10 DGCDMO COc1ccc(C[N@H+]2CCCC(F)(F)CC2)c(O)c1OC ZINC000895572681 618799849 /nfs/dbraw/zinc/79/98/49/618799849.db2.gz BVYLODKMBCTRNQ-UHFFFAOYSA-N 1 1 301.333 3.031 20 10 DGCDMO CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H]1CCCOC1 ZINC000895662197 618814340 /nfs/dbraw/zinc/81/43/40/618814340.db2.gz BSDVUESFIIUWKO-QMTHXVAHSA-N 1 1 301.789 3.480 20 10 DGCDMO CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000896058161 618868164 /nfs/dbraw/zinc/86/81/64/618868164.db2.gz PGLDPHSEAIQZQM-OAHLLOKOSA-N 1 1 304.434 3.004 20 10 DGCDMO COc1cc(C)cc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c1O ZINC000896424027 618911665 /nfs/dbraw/zinc/91/16/65/618911665.db2.gz MQNWQWHLBVMFBD-WMLDXEAASA-N 1 1 317.360 3.271 20 10 DGCDMO COc1ccc(C[NH2+]Cc2c(O)cccc2F)cc1OC1CC1 ZINC000896644951 618938337 /nfs/dbraw/zinc/93/83/37/618938337.db2.gz ZVMKKKWCZOTOEG-UHFFFAOYSA-N 1 1 317.360 3.371 20 10 DGCDMO COc1cccc(O)c1C[N@H+](Cc1ccccn1)CC(C)C ZINC000896665234 618943727 /nfs/dbraw/zinc/94/37/27/618943727.db2.gz PYCDKLQNICTEIQ-UHFFFAOYSA-N 1 1 300.402 3.454 20 10 DGCDMO CSC[C@H]1CCC[N@H+]1Cc1c(O)cccc1Br ZINC000862251066 619107276 /nfs/dbraw/zinc/10/72/76/619107276.db2.gz ZSQWAUMPYJDLAQ-SNVBAGLBSA-N 1 1 316.264 3.482 20 10 DGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H](F)C3)cc2)CC1 ZINC000902993646 619700609 /nfs/dbraw/zinc/70/06/09/619700609.db2.gz WKCJRUGYXCZGHL-INIZCTEOSA-N 1 1 306.425 3.236 20 10 DGCDMO Cc1cc(C[NH2+][C@H](C)c2cn(C)nn2)c(C)n1-c1cccc(C)c1 ZINC000903069040 619714461 /nfs/dbraw/zinc/71/44/61/619714461.db2.gz BGCKAYDZLGPXEV-OAHLLOKOSA-N 1 1 323.444 3.382 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1ccc(F)cc1O ZINC000903271659 619750189 /nfs/dbraw/zinc/75/01/89/619750189.db2.gz JZSGKFFHLVYRCR-ARFHVFGLSA-N 1 1 324.465 3.152 20 10 DGCDMO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccco1 ZINC000903449176 619778489 /nfs/dbraw/zinc/77/84/89/619778489.db2.gz WBJOCSGSIIRFKC-RHSMWYFYSA-N 1 1 301.434 3.299 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCOc3ccc(N)cc3C2)cc1 ZINC000903943753 619842384 /nfs/dbraw/zinc/84/23/84/619842384.db2.gz BMLBRMITHDHVKP-ARJAWSKDSA-N 1 1 323.440 3.243 20 10 DGCDMO Cc1cc(Cl)cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841086265 620225038 /nfs/dbraw/zinc/22/50/38/620225038.db2.gz GWMRLOOMHJDTEW-CZUORRHYSA-N 1 1 308.853 3.318 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1C(C)C ZINC000151114714 620423883 /nfs/dbraw/zinc/42/38/83/620423883.db2.gz WDOPFTUDKPAHKX-OALUTQOASA-N 1 1 319.445 3.204 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000841100819 620450755 /nfs/dbraw/zinc/45/07/55/620450755.db2.gz KXAPIIJVYUAAKJ-ZBFHGGJFSA-N 1 1 307.457 3.089 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccc(N2CCOCC2)cc1 ZINC000153301357 620599594 /nfs/dbraw/zinc/59/95/94/620599594.db2.gz ZJEWSIXKBZEAAJ-KGLIPLIRSA-N 1 1 317.458 3.392 20 10 DGCDMO COC[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000112962181 620867647 /nfs/dbraw/zinc/86/76/47/620867647.db2.gz AUANQZSQICSSDV-CQSZACIVSA-N 1 1 315.413 3.412 20 10 DGCDMO C[C@H]([NH2+]CCc1cn(C)cn1)c1cccc(C(F)(F)F)c1O ZINC000840764554 620883960 /nfs/dbraw/zinc/88/39/60/620883960.db2.gz VBOLWQRHXOMTES-JTQLQIEISA-N 1 1 313.323 3.038 20 10 DGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1CC(C)(C)OC1=O ZINC000755727584 620889638 /nfs/dbraw/zinc/88/96/38/620889638.db2.gz LUSZMJJXJOVIIP-UHFFFAOYSA-N 1 1 319.449 3.151 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CN1CC(C)(C)OC1=O ZINC000755727584 620889641 /nfs/dbraw/zinc/88/96/41/620889641.db2.gz LUSZMJJXJOVIIP-UHFFFAOYSA-N 1 1 319.449 3.151 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(F)c2)c1 ZINC000756382455 620969428 /nfs/dbraw/zinc/96/94/28/620969428.db2.gz DBNBFRYJTMEMSP-LLVKDONJSA-N 1 1 303.333 3.169 20 10 DGCDMO COc1cccc(OC)c1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922240713 621011957 /nfs/dbraw/zinc/01/19/57/621011957.db2.gz RDDXKJXRSIWGJU-UHFFFAOYSA-N 1 1 313.397 3.319 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1nccc2c1CCCC2 ZINC000922460491 621041039 /nfs/dbraw/zinc/04/10/39/621041039.db2.gz AFTXEQGARFGPBI-UHFFFAOYSA-N 1 1 304.340 3.234 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000857060660 621052873 /nfs/dbraw/zinc/05/28/73/621052873.db2.gz CZMVEYTVGOSXPS-HIFRSBDPSA-N 1 1 321.461 3.149 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1CO ZINC000857061027 621053276 /nfs/dbraw/zinc/05/32/76/621053276.db2.gz IDFUGAVWSRJIDI-SJLPKXTDSA-N 1 1 302.462 3.127 20 10 DGCDMO CCn1nc(C)c(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1C ZINC000858124797 621155371 /nfs/dbraw/zinc/15/53/71/621155371.db2.gz PWVPGEWQCALWME-UHFFFAOYSA-N 1 1 322.403 3.154 20 10 DGCDMO CCn1cc([C@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)cn1 ZINC000858173921 621161634 /nfs/dbraw/zinc/16/16/34/621161634.db2.gz JKUBQMHOKWNGAW-NSHDSACASA-N 1 1 308.376 3.098 20 10 DGCDMO CN(C)c1ccc(/C=C\CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858286206 621171879 /nfs/dbraw/zinc/17/18/79/621171879.db2.gz UUQCXUXSFUZVJB-KKHYBRAUSA-N 1 1 313.489 3.372 20 10 DGCDMO CN(C)c1ccc(/C=C\CNC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000858286206 621171881 /nfs/dbraw/zinc/17/18/81/621171881.db2.gz UUQCXUXSFUZVJB-KKHYBRAUSA-N 1 1 313.489 3.372 20 10 DGCDMO C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc(F)cc1O ZINC000858452606 621193107 /nfs/dbraw/zinc/19/31/07/621193107.db2.gz MTGCRKIGSVPRTH-MRVPVSSYSA-N 1 1 317.286 3.134 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc(F)cc1O ZINC000858478972 621196285 /nfs/dbraw/zinc/19/62/85/621196285.db2.gz FYMSDDQVLFTDOQ-JSGCOSHPSA-N 1 1 316.367 3.302 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000858536430 621202726 /nfs/dbraw/zinc/20/27/26/621202726.db2.gz HTKJUGKNQZEIBH-GNTLTTKYSA-N 1 1 303.402 3.266 20 10 DGCDMO CCOc1cccc(C[NH+]2CC(OC)(c3ccccc3)C2)c1O ZINC000839100359 621328840 /nfs/dbraw/zinc/32/88/40/621328840.db2.gz VOLXRYPUGMWWBB-UHFFFAOYSA-N 1 1 313.397 3.148 20 10 DGCDMO COCC1(C)C[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000839144520 621332284 /nfs/dbraw/zinc/33/22/84/621332284.db2.gz YMIMCLGLOTXMIL-UHFFFAOYSA-N 1 1 316.367 3.240 20 10 DGCDMO Cc1cc(Br)cc(C[NH+]2CC(C(F)F)C2)c1O ZINC000839141636 621340390 /nfs/dbraw/zinc/34/03/90/621340390.db2.gz UPJPWJXNTSSTNA-UHFFFAOYSA-N 1 1 306.150 3.160 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1C ZINC000839192155 621346802 /nfs/dbraw/zinc/34/68/02/621346802.db2.gz LPJDZQAIUCTEMF-ZWKOTPCHSA-N 1 1 303.446 3.382 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](CCc2cncs2)C2CC2)cc1 ZINC000839467506 621378681 /nfs/dbraw/zinc/37/86/81/621378681.db2.gz GLVBRXGXYRYZSZ-UHFFFAOYSA-N 1 1 301.459 3.416 20 10 DGCDMO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)[nH]1 ZINC000752924597 621416117 /nfs/dbraw/zinc/41/61/17/621416117.db2.gz HTYTWOZOCSUMII-RYUDHWBXSA-N 1 1 319.428 3.374 20 10 DGCDMO C[C@@H]1COCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753533781 621446859 /nfs/dbraw/zinc/44/68/59/621446859.db2.gz CHCYNYCPGYQHNE-OAHLLOKOSA-N 1 1 313.397 3.192 20 10 DGCDMO C[C@@H]1COCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753533781 621446863 /nfs/dbraw/zinc/44/68/63/621446863.db2.gz CHCYNYCPGYQHNE-OAHLLOKOSA-N 1 1 313.397 3.192 20 10 DGCDMO Oc1ccccc1C[N@@H+](CC[C@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000754070158 621484810 /nfs/dbraw/zinc/48/48/10/621484810.db2.gz WVQKHSUGRJFTFD-MSOLQXFVSA-N 1 1 319.445 3.332 20 10 DGCDMO CCC1CCC([N@@H+](CCO)Cc2cccc(OC)c2O)CC1 ZINC000754154463 621491982 /nfs/dbraw/zinc/49/19/82/621491982.db2.gz PALSXGYEVPZBSO-UHFFFAOYSA-N 1 1 307.434 3.164 20 10 DGCDMO COc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000754668560 621523641 /nfs/dbraw/zinc/52/36/41/621523641.db2.gz PWGFEASBAIFXCZ-UHFFFAOYSA-N 1 1 311.429 3.321 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c1O ZINC000754731433 621529016 /nfs/dbraw/zinc/52/90/16/621529016.db2.gz BTVRALNRFQSFFI-QGZVFWFLSA-N 1 1 318.461 3.160 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2CN2CCCCC2)c1O ZINC000754731433 621529017 /nfs/dbraw/zinc/52/90/17/621529017.db2.gz BTVRALNRFQSFFI-QGZVFWFLSA-N 1 1 318.461 3.160 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC000754736845 621529436 /nfs/dbraw/zinc/52/94/36/621529436.db2.gz NWLNAILVGIYEDQ-YPMHNXCESA-N 1 1 303.324 3.161 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1 ZINC000754736845 621529438 /nfs/dbraw/zinc/52/94/38/621529438.db2.gz NWLNAILVGIYEDQ-YPMHNXCESA-N 1 1 303.324 3.161 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000754736875 621529686 /nfs/dbraw/zinc/52/96/86/621529686.db2.gz ONVIWAIOOLOVSE-QAPCUYQASA-N 1 1 307.434 3.345 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+](C)CCc2nccs2)cc1F ZINC000862251096 621568124 /nfs/dbraw/zinc/56/81/24/621568124.db2.gz ULECGTXMKQOFIM-UHFFFAOYSA-N 1 1 311.401 3.162 20 10 DGCDMO CCCC[N@@H+](CCCO)Cc1c(O)cccc1Br ZINC000862367248 621579266 /nfs/dbraw/zinc/57/92/66/621579266.db2.gz AQJMCRLJJXNJBV-UHFFFAOYSA-N 1 1 316.239 3.139 20 10 DGCDMO Cc1nccn1CCC[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862367424 621580114 /nfs/dbraw/zinc/58/01/14/621580114.db2.gz IKERQOCUQTYSJY-UHFFFAOYSA-N 1 1 322.403 3.058 20 10 DGCDMO CS[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862385190 621582074 /nfs/dbraw/zinc/58/20/74/621582074.db2.gz PPZIQVMLRDKESX-VIFPVBQESA-N 1 1 302.237 3.092 20 10 DGCDMO C[C@@H]1CC2(C[N@H+]1Cc1cc(F)c(N(C)C)cc1F)CCOCC2 ZINC000862400023 621585079 /nfs/dbraw/zinc/58/50/79/621585079.db2.gz KRNXQDSTUCYBDP-CYBMUJFWSA-N 1 1 324.415 3.422 20 10 DGCDMO COc1c(O)c(C[NH2+]CC[C@@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000862498472 621596081 /nfs/dbraw/zinc/59/60/81/621596081.db2.gz JSEJCYSKXUATLI-GFCCVEGCSA-N 1 1 306.362 3.145 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C1)OCO2 ZINC000862528571 621596840 /nfs/dbraw/zinc/59/68/40/621596840.db2.gz AKURRYXYASRUJF-BHYGNILZSA-N 1 1 323.392 3.356 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2c(C)noc2C)c1 ZINC000756576268 621650628 /nfs/dbraw/zinc/65/06/28/621650628.db2.gz ZBFCJGRSNYNDEM-VHSXEESVSA-N 1 1 318.373 3.195 20 10 DGCDMO CCCC[C@H](COC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756584966 621651024 /nfs/dbraw/zinc/65/10/24/621651024.db2.gz HUOGCSTWLWFESY-GXTWGEPZSA-N 1 1 309.406 3.035 20 10 DGCDMO CCSCC[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756618418 621653201 /nfs/dbraw/zinc/65/32/01/621653201.db2.gz PXNGTRYJTVLFFP-RYUDHWBXSA-N 1 1 311.447 3.361 20 10 DGCDMO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1O ZINC000756706681 621658787 /nfs/dbraw/zinc/65/87/87/621658787.db2.gz CORNWPIGZUVTIY-NSHDSACASA-N 1 1 320.320 3.169 20 10 DGCDMO C[C@@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1ccc(F)cc1O ZINC000756733670 621661312 /nfs/dbraw/zinc/66/13/12/621661312.db2.gz RSGUKANVUXRQPP-SNVBAGLBSA-N 1 1 317.339 3.408 20 10 DGCDMO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756735691 621661960 /nfs/dbraw/zinc/66/19/60/621661960.db2.gz GYTCIEMOMLXBQD-NOZJJQNGSA-N 1 1 313.369 3.425 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1O ZINC000756760128 621662793 /nfs/dbraw/zinc/66/27/93/621662793.db2.gz IMYWOHPIMSBRNC-LRDDRELGSA-N 1 1 320.408 3.116 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCSCC(C)C)c1 ZINC000756775792 621663692 /nfs/dbraw/zinc/66/36/92/621663692.db2.gz KLGKORZUNFXHNU-GFCCVEGCSA-N 1 1 311.447 3.219 20 10 DGCDMO COCC1([NH2+][C@H](C)c2cc(Br)c(F)cc2O)CC1 ZINC000756851781 621668109 /nfs/dbraw/zinc/66/81/09/621668109.db2.gz VEOYNWPPYIVIPE-MRVPVSSYSA-N 1 1 318.186 3.123 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000863547241 621683041 /nfs/dbraw/zinc/68/30/41/621683041.db2.gz QKOORMGYOQGICM-AQUOVQTQSA-N 1 1 303.233 3.490 20 10 DGCDMO COC1([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)CCC1 ZINC000839658079 621704816 /nfs/dbraw/zinc/70/48/16/621704816.db2.gz ASNPTKGMJIAGIQ-NSHDSACASA-N 1 1 311.809 3.295 20 10 DGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OCO3)Cc2ccccc21 ZINC000758374492 621778453 /nfs/dbraw/zinc/77/84/53/621778453.db2.gz CNZJVAWISJZMLH-UHFFFAOYSA-N 1 1 311.381 3.414 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCC34CCCC4)cc2)CC1 ZINC000758592077 621790737 /nfs/dbraw/zinc/79/07/37/621790737.db2.gz FDALPJOQOZYHKV-LJQANCHMSA-N 1 1 313.489 3.251 20 10 DGCDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000759155701 621830224 /nfs/dbraw/zinc/83/02/24/621830224.db2.gz ACJHEYNRFANYLL-GOSISDBHSA-N 1 1 322.412 3.319 20 10 DGCDMO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cc(F)ccc1O ZINC000789588353 625530674 /nfs/dbraw/zinc/53/06/74/625530674.db2.gz BHMSGBAPLDPBKD-ZDUSSCGKSA-N 1 1 318.367 3.381 20 10 DGCDMO COCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C1CCCC1 ZINC000761192235 621993191 /nfs/dbraw/zinc/99/31/91/621993191.db2.gz IBOVRMNGSUBCFA-UHFFFAOYSA-N 1 1 313.825 3.445 20 10 DGCDMO Oc1cc2c(cc1C[NH2+][C@H](CF)c1ccc(F)cc1)OCO2 ZINC000865822566 622001542 /nfs/dbraw/zinc/00/15/42/622001542.db2.gz KOQUNNLZPLQEBE-CYBMUJFWSA-N 1 1 307.296 3.060 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCCS2)c1 ZINC000866481744 622125219 /nfs/dbraw/zinc/12/52/19/622125219.db2.gz VRJZTGYQKAGQTK-AAEUAGOBSA-N 1 1 309.431 3.115 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CCCS2)c1 ZINC000866481745 622125469 /nfs/dbraw/zinc/12/54/69/622125469.db2.gz VRJZTGYQKAGQTK-DGCLKSJQSA-N 1 1 309.431 3.115 20 10 DGCDMO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(N(C)C)cc1 ZINC000866563750 622139207 /nfs/dbraw/zinc/13/92/07/622139207.db2.gz QGGARJBFTSZWSQ-LLVKDONJSA-N 1 1 308.376 3.275 20 10 DGCDMO CCCN(CCC)c1ccc(C[NH2+]Cc2ccn(C)n2)cc1 ZINC000765787784 622287358 /nfs/dbraw/zinc/28/73/58/622287358.db2.gz BBSKJAHAPNJXSF-UHFFFAOYSA-N 1 1 300.450 3.336 20 10 DGCDMO COc1cccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c1O ZINC000768168296 622443055 /nfs/dbraw/zinc/44/30/55/622443055.db2.gz IBZSMIJVZMQXKY-UHFFFAOYSA-N 1 1 317.385 3.050 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)cc1 ZINC000768184967 622444026 /nfs/dbraw/zinc/44/40/26/622444026.db2.gz KHGRCSSUANEPRF-SFHVURJKSA-N 1 1 317.477 3.153 20 10 DGCDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(Cl)ccc1O ZINC000768199091 622445163 /nfs/dbraw/zinc/44/51/63/622445163.db2.gz YZAOOTWKQHKIAD-UHFFFAOYSA-N 1 1 305.761 3.406 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+](C)CC(=O)NC2CC2)cc1 ZINC000768202963 622445592 /nfs/dbraw/zinc/44/55/92/622445592.db2.gz FBBDFRBBSOHMEL-UHFFFAOYSA-N 1 1 317.477 3.023 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@@H+](C)CC(=O)NC2CC2)cc1 ZINC000768202963 622445594 /nfs/dbraw/zinc/44/55/94/622445594.db2.gz FBBDFRBBSOHMEL-UHFFFAOYSA-N 1 1 317.477 3.023 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000768246621 622447651 /nfs/dbraw/zinc/44/76/51/622447651.db2.gz YULWIIHOJASWKK-OAQYLSRUSA-N 1 1 323.484 3.459 20 10 DGCDMO CN(C)c1ccc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000768246621 622447653 /nfs/dbraw/zinc/44/76/53/622447653.db2.gz YULWIIHOJASWKK-OAQYLSRUSA-N 1 1 323.484 3.459 20 10 DGCDMO CN(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000768246621 622447655 /nfs/dbraw/zinc/44/76/55/622447655.db2.gz YULWIIHOJASWKK-OAQYLSRUSA-N 1 1 323.484 3.459 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cccs1)[C@H](O)CO2 ZINC000768442099 622456039 /nfs/dbraw/zinc/45/60/39/622456039.db2.gz OUXNDXDYGKQGSR-UKRRQHHQSA-N 1 1 317.410 3.217 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1OC ZINC000768443850 622456045 /nfs/dbraw/zinc/45/60/45/622456045.db2.gz VEJQRPGWTHXWPJ-OAHLLOKOSA-N 1 1 314.385 3.142 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768441430 622456149 /nfs/dbraw/zinc/45/61/49/622456149.db2.gz LNUKAKRRNSFNSB-AEFFLSMTSA-N 1 1 311.381 3.155 20 10 DGCDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441152 622456433 /nfs/dbraw/zinc/45/64/33/622456433.db2.gz WHRLZWZBJQTWOU-GOSISDBHSA-N 1 1 313.397 3.149 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](N3CCCCC3)C1)CCCC2 ZINC000768452716 622457499 /nfs/dbraw/zinc/45/74/99/622457499.db2.gz RLVJCYNPMOVTLM-IBGZPJMESA-N 1 1 314.473 3.331 20 10 DGCDMO Oc1cc2c(cc1CN1CC[C@H]([NH+]3CCCCC3)C1)CCCC2 ZINC000768452716 622457500 /nfs/dbraw/zinc/45/75/00/622457500.db2.gz RLVJCYNPMOVTLM-IBGZPJMESA-N 1 1 314.473 3.331 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H]([C@H]3CCOC3)C1)CCCC2 ZINC000768461854 622457699 /nfs/dbraw/zinc/45/76/99/622457699.db2.gz GCKITAOIQLDQDM-SJORKVTESA-N 1 1 301.430 3.129 20 10 DGCDMO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2O)cc1 ZINC000768782493 622476957 /nfs/dbraw/zinc/47/69/57/622476957.db2.gz IYXAIPGMSCBORM-UHFFFAOYSA-N 1 1 319.788 3.464 20 10 DGCDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1c(O)cccc1Cl ZINC000768893477 622484154 /nfs/dbraw/zinc/48/41/54/622484154.db2.gz RLOGGSWQCQKSTO-ZDUSSCGKSA-N 1 1 305.805 3.429 20 10 DGCDMO CCOc1cccc(C[N@@H+](CC)CCc2ccccn2)c1O ZINC000769035942 622493869 /nfs/dbraw/zinc/49/38/69/622493869.db2.gz ZAVMFSRVVCRMIK-UHFFFAOYSA-N 1 1 300.402 3.251 20 10 DGCDMO CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000769325900 622517560 /nfs/dbraw/zinc/51/75/60/622517560.db2.gz CNPYXMDUKJXEBE-HXUWFJFHSA-N 1 1 313.489 3.345 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000769325900 622517563 /nfs/dbraw/zinc/51/75/63/622517563.db2.gz CNPYXMDUKJXEBE-HXUWFJFHSA-N 1 1 313.489 3.345 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000769325900 622517564 /nfs/dbraw/zinc/51/75/64/622517564.db2.gz CNPYXMDUKJXEBE-HXUWFJFHSA-N 1 1 313.489 3.345 20 10 DGCDMO Fc1cc(C[N@H+]2CCC[C@H]2C2CC2)ccc1N1CCOCC1 ZINC000769329475 622518262 /nfs/dbraw/zinc/51/82/62/622518262.db2.gz 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ZINC000769472667 622531247 /nfs/dbraw/zinc/53/12/47/622531247.db2.gz HVXDVQMGZHQLCY-CQSZACIVSA-N 1 1 313.397 3.399 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+](C)[C@H]2C[C@@H](OCC)C2(C)C)c1 ZINC000769472938 622531552 /nfs/dbraw/zinc/53/15/52/622531552.db2.gz LGXBWMNMTFAVAM-DLBZAZTESA-N 1 1 307.434 3.426 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000769483267 622532231 /nfs/dbraw/zinc/53/22/31/622532231.db2.gz HHPMGUIMRWZUOL-SFHVURJKSA-N 1 1 305.418 3.184 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c(O)c1 ZINC000769484028 622533109 /nfs/dbraw/zinc/53/31/09/622533109.db2.gz JKQGENZKEOTSKE-GOSISDBHSA-N 1 1 305.418 3.184 20 10 DGCDMO c1ccc(C[C@@H]2CC[N@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000769505527 622535667 /nfs/dbraw/zinc/53/56/67/622535667.db2.gz CVUNOKKVMWWMFP-NRFANRHFSA-N 1 1 322.452 3.340 20 10 DGCDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000770307405 622619700 /nfs/dbraw/zinc/61/97/00/622619700.db2.gz RYRWDNHEUQBCTC-INIZCTEOSA-N 1 1 306.425 3.140 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000770319737 622621272 /nfs/dbraw/zinc/62/12/72/622621272.db2.gz BGCYEBNKSIWDPJ-CZUORRHYSA-N 1 1 317.385 3.082 20 10 DGCDMO Fc1cc(C[N@H+]2CCCC3(CC3)C2)ccc1N1CCOCC1 ZINC000770674769 622659617 /nfs/dbraw/zinc/65/96/17/622659617.db2.gz MAYNUFBPVVPYIY-UHFFFAOYSA-N 1 1 304.409 3.038 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](COC(C)C)C2)cc1 ZINC000770688540 622661769 /nfs/dbraw/zinc/66/17/69/622661769.db2.gz MMRZOUUSPARNAR-IBGZPJMESA-N 1 1 320.477 3.159 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](COC(C)C)C2)cc1 ZINC000770688540 622661771 /nfs/dbraw/zinc/66/17/71/622661771.db2.gz MMRZOUUSPARNAR-IBGZPJMESA-N 1 1 320.477 3.159 20 10 DGCDMO C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(F)cc1O ZINC000872110574 622812479 /nfs/dbraw/zinc/81/24/79/622812479.db2.gz ZMUCNABYWFTIQT-VIFPVBQESA-N 1 1 317.286 3.097 20 10 DGCDMO Cc1cc(C)c(O)c(CN2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000872644163 622947035 /nfs/dbraw/zinc/94/70/35/622947035.db2.gz FLLZCETZVTWKKV-UHFFFAOYSA-N 1 1 302.462 3.459 20 10 DGCDMO OCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(cc1O)CCC2 ZINC000872757669 622970874 /nfs/dbraw/zinc/97/08/74/622970874.db2.gz JEGFMACDGFYATE-CNUNBNKRSA-N 1 1 301.430 3.006 20 10 DGCDMO c1cc2c(s1)CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000124285058 622992181 /nfs/dbraw/zinc/99/21/81/622992181.db2.gz MZYHMHRPVMZJQW-UHFFFAOYSA-N 1 1 314.454 3.143 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(O)cc1C ZINC000773256546 623005418 /nfs/dbraw/zinc/00/54/18/623005418.db2.gz CIZOXLAGUOJLKO-HZPDHXFCSA-N 1 1 319.445 3.348 20 10 DGCDMO COCCCOCC[N@@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000773270342 623007223 /nfs/dbraw/zinc/00/72/23/623007223.db2.gz GIMXFTXVOAWVCF-UHFFFAOYSA-N 1 1 323.477 3.483 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000773753312 623067134 /nfs/dbraw/zinc/06/71/34/623067134.db2.gz GBFCWPXENGMVAY-QGZVFWFLSA-N 1 1 318.461 3.449 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000773753312 623067142 /nfs/dbraw/zinc/06/71/42/623067142.db2.gz GBFCWPXENGMVAY-QGZVFWFLSA-N 1 1 318.461 3.449 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000773757966 623069235 /nfs/dbraw/zinc/06/92/35/623069235.db2.gz SPOUCSZEJCBGNZ-HUUCEWRRSA-N 1 1 316.367 3.030 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000773757963 623069283 /nfs/dbraw/zinc/06/92/83/623069283.db2.gz SPOUCSZEJCBGNZ-CABCVRRESA-N 1 1 316.367 3.030 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC000773832306 623075646 /nfs/dbraw/zinc/07/56/46/623075646.db2.gz OSPWOZNYJMAJKO-ROUUACIJSA-N 1 1 304.478 3.372 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000873255944 623093403 /nfs/dbraw/zinc/09/34/03/623093403.db2.gz KWGSCKACCPAQTI-IRUJWGPZSA-N 1 1 302.340 3.189 20 10 DGCDMO CCC(CC)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CC1 ZINC000774834603 623197311 /nfs/dbraw/zinc/19/73/11/623197311.db2.gz GICZBWDVIUCLBO-UHFFFAOYSA-N 1 1 308.378 3.462 20 10 DGCDMO CCC(CC)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000774834603 623197313 /nfs/dbraw/zinc/19/73/13/623197313.db2.gz GICZBWDVIUCLBO-UHFFFAOYSA-N 1 1 308.378 3.462 20 10 DGCDMO CCC(CC)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000774834603 623197314 /nfs/dbraw/zinc/19/73/14/623197314.db2.gz GICZBWDVIUCLBO-UHFFFAOYSA-N 1 1 308.378 3.462 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)Cc2ccc(C)s2)ccc1[N+](=O)[O-] ZINC000774875547 623203079 /nfs/dbraw/zinc/20/30/79/623203079.db2.gz KNKBROMXNKLJNC-UHFFFAOYSA-N 1 1 322.386 3.311 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCCC[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000774885997 623204874 /nfs/dbraw/zinc/20/48/74/623204874.db2.gz UNKWFFDMZBNGBN-CYBMUJFWSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCCC[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000774885997 623204879 /nfs/dbraw/zinc/20/48/79/623204879.db2.gz UNKWFFDMZBNGBN-CYBMUJFWSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774905795 623206633 /nfs/dbraw/zinc/20/66/33/623206633.db2.gz RVWQDDWSTQEEHM-NEPJUHHUSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+]2C[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774905795 623206635 /nfs/dbraw/zinc/20/66/35/623206635.db2.gz RVWQDDWSTQEEHM-NEPJUHHUSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774905797 623207061 /nfs/dbraw/zinc/20/70/61/623207061.db2.gz RVWQDDWSTQEEHM-NWDGAFQWSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+]2C[C@@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774905797 623207062 /nfs/dbraw/zinc/20/70/62/623207062.db2.gz RVWQDDWSTQEEHM-NWDGAFQWSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[NH+]2CCC(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774910117 623207817 /nfs/dbraw/zinc/20/78/17/623207817.db2.gz TUSDBIGKSGGEIN-UHFFFAOYSA-N 1 1 308.378 3.177 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774942250 623210600 /nfs/dbraw/zinc/21/06/00/623210600.db2.gz JQIYAZAPKKPDJC-NTZNESFSSA-N 1 1 308.378 3.223 20 10 DGCDMO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)C1 ZINC000775582692 623293392 /nfs/dbraw/zinc/29/33/92/623293392.db2.gz XPBLAHUDKHBNBZ-AGIUHOORSA-N 1 1 324.396 3.049 20 10 DGCDMO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)C1 ZINC000775582693 623293630 /nfs/dbraw/zinc/29/36/30/623293630.db2.gz XPBLAHUDKHBNBZ-AVGNSLFASA-N 1 1 324.396 3.049 20 10 DGCDMO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775649402 623303361 /nfs/dbraw/zinc/30/33/61/623303361.db2.gz QXLBPWLPOXOHJF-XLIONFOSSA-N 1 1 315.505 3.449 20 10 DGCDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775649402 623303365 /nfs/dbraw/zinc/30/33/65/623303365.db2.gz QXLBPWLPOXOHJF-XLIONFOSSA-N 1 1 315.505 3.449 20 10 DGCDMO CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775648238 623303896 /nfs/dbraw/zinc/30/38/96/623303896.db2.gz RGEJGRJBZXPFIS-UHFFFAOYSA-N 1 1 314.832 3.489 20 10 DGCDMO COc1ccc(O)c(CN2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000775659598 623307726 /nfs/dbraw/zinc/30/77/26/623307726.db2.gz YVFUUVRNJGGDNQ-HLLBOEOZSA-N 1 1 318.461 3.238 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)c1 ZINC000775740557 623323181 /nfs/dbraw/zinc/32/31/81/623323181.db2.gz OBKGHFFBPHAGCQ-ORAYPTAESA-N 1 1 313.397 3.225 20 10 DGCDMO C[C@H](c1ccccc1)[N@H+](Cc1cn(C)nn1)Cc1ccccc1O ZINC000776008399 623363380 /nfs/dbraw/zinc/36/33/80/623363380.db2.gz GWLYKTQURXLLTE-OAHLLOKOSA-N 1 1 322.412 3.284 20 10 DGCDMO C[C@H](c1ccccc1)[N@@H+](Cc1cn(C)nn1)Cc1ccccc1O ZINC000776008399 623363381 /nfs/dbraw/zinc/36/33/81/623363381.db2.gz GWLYKTQURXLLTE-OAHLLOKOSA-N 1 1 322.412 3.284 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000776691753 623451987 /nfs/dbraw/zinc/45/19/87/623451987.db2.gz MMOQVAFXJJWZSZ-KRWDZBQOSA-N 1 1 317.816 3.489 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000776691753 623451990 /nfs/dbraw/zinc/45/19/90/623451990.db2.gz MMOQVAFXJJWZSZ-KRWDZBQOSA-N 1 1 317.816 3.489 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000776767376 623461645 /nfs/dbraw/zinc/46/16/45/623461645.db2.gz GUWGIEMHQNBWGF-MRXNPFEDSA-N 1 1 305.418 3.006 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000776767376 623461649 /nfs/dbraw/zinc/46/16/49/623461649.db2.gz GUWGIEMHQNBWGF-MRXNPFEDSA-N 1 1 305.418 3.006 20 10 DGCDMO COc1cc(C[N@H+]2CCO[C@H](C3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000776773615 623461835 /nfs/dbraw/zinc/46/18/35/623461835.db2.gz UDIPIRLXDZGEQS-KRWDZBQOSA-N 1 1 319.445 3.309 20 10 DGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000777222783 623507064 /nfs/dbraw/zinc/50/70/64/623507064.db2.gz SRZJQZLHNQSSGR-GOSISDBHSA-N 1 1 320.396 3.098 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777438414 623524722 /nfs/dbraw/zinc/52/47/22/623524722.db2.gz MLYIGQDIPGWXOG-KRWDZBQOSA-N 1 1 321.779 3.278 20 10 DGCDMO CCOc1ccc(CNc2ccc(-n3cc[nH+]c3C)nc2)c(O)c1 ZINC000777513349 623533718 /nfs/dbraw/zinc/53/37/18/623533718.db2.gz AJGQKCBTPLVQAW-UHFFFAOYSA-N 1 1 324.384 3.292 20 10 DGCDMO COCCc1ncc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC000876511250 623631317 /nfs/dbraw/zinc/63/13/17/623631317.db2.gz BXYXZXKTBFMDTL-UHFFFAOYSA-N 1 1 319.474 3.030 20 10 DGCDMO CC[C@@](C)(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)OC ZINC000876531421 623635674 /nfs/dbraw/zinc/63/56/74/623635674.db2.gz FXPVABHACSTLKH-WMZOPIPTSA-N 1 1 307.434 3.188 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000876536604 623637206 /nfs/dbraw/zinc/63/72/06/623637206.db2.gz DEJWHANOBMCPPZ-UHFFFAOYSA-N 1 1 312.413 3.388 20 10 DGCDMO CCCn1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)nn1 ZINC000876584733 623651414 /nfs/dbraw/zinc/65/14/14/623651414.db2.gz NQXZVALMVZUPCH-UHFFFAOYSA-N 1 1 315.465 3.165 20 10 DGCDMO CCCn1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)nn1 ZINC000876584733 623651418 /nfs/dbraw/zinc/65/14/18/623651418.db2.gz NQXZVALMVZUPCH-UHFFFAOYSA-N 1 1 315.465 3.165 20 10 DGCDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c(O)c1 ZINC000876592134 623653975 /nfs/dbraw/zinc/65/39/75/623653975.db2.gz ONTWYDFASZFEIK-UHFFFAOYSA-N 1 1 324.424 3.225 20 10 DGCDMO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c(O)c1 ZINC000876811576 623713399 /nfs/dbraw/zinc/71/33/99/623713399.db2.gz LIILZWLXWIVCGA-QAPCUYQASA-N 1 1 300.446 3.149 20 10 DGCDMO Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c(O)c1 ZINC000876811576 623713401 /nfs/dbraw/zinc/71/34/01/623713401.db2.gz LIILZWLXWIVCGA-QAPCUYQASA-N 1 1 300.446 3.149 20 10 DGCDMO [O-]c1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc(F)c1F ZINC000876811589 623714237 /nfs/dbraw/zinc/71/42/37/623714237.db2.gz LNODRYMGUBTMHH-MLGOLLRUSA-N 1 1 322.399 3.119 20 10 DGCDMO [O-]c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc(F)c1F ZINC000876811589 623714239 /nfs/dbraw/zinc/71/42/39/623714239.db2.gz LNODRYMGUBTMHH-MLGOLLRUSA-N 1 1 322.399 3.119 20 10 DGCDMO [O-]c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc(F)c1F ZINC000876811589 623714240 /nfs/dbraw/zinc/71/42/40/623714240.db2.gz LNODRYMGUBTMHH-MLGOLLRUSA-N 1 1 322.399 3.119 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2ccc(Cl)nn2)cc1F ZINC000877027035 623769090 /nfs/dbraw/zinc/76/90/90/623769090.db2.gz IVXYXKCFOHXCKM-UHFFFAOYSA-N 1 1 322.815 3.405 20 10 DGCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C1CC1 ZINC000877539251 623933144 /nfs/dbraw/zinc/93/31/44/623933144.db2.gz LTLHOXRONPAYCC-LJQANCHMSA-N 1 1 314.473 3.268 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)[C@H]1C ZINC000877594568 623955850 /nfs/dbraw/zinc/95/58/50/623955850.db2.gz VGRHNYYHXOMJJL-PMPSAXMXSA-N 1 1 302.462 3.124 20 10 DGCDMO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c(O)c1 ZINC000877639674 623973727 /nfs/dbraw/zinc/97/37/27/623973727.db2.gz OLFUOSRBBDBRLY-DGCLKSJQSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c(O)c1 ZINC000877639674 623973729 /nfs/dbraw/zinc/97/37/29/623973729.db2.gz OLFUOSRBBDBRLY-DGCLKSJQSA-N 1 1 303.324 3.242 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000780788943 623985508 /nfs/dbraw/zinc/98/55/08/623985508.db2.gz DWHROFUTAQMBTE-OAHLLOKOSA-N 1 1 313.397 3.302 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000877672383 623986057 /nfs/dbraw/zinc/98/60/57/623986057.db2.gz DBUJPXMLHMEFID-SJORKVTESA-N 1 1 313.397 3.099 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000877674906 623987857 /nfs/dbraw/zinc/98/78/57/623987857.db2.gz WSABHBQKQNHTOD-PMACEKPBSA-N 1 1 310.441 3.451 20 10 DGCDMO C[NH+]1CCC2(CC1)CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC000877684164 623990964 /nfs/dbraw/zinc/99/09/64/623990964.db2.gz JMYZQSXUYCBHKV-UHFFFAOYSA-N 1 1 308.853 3.353 20 10 DGCDMO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000780893852 623995613 /nfs/dbraw/zinc/99/56/13/623995613.db2.gz UFEFUMMCDROJAE-KRWDZBQOSA-N 1 1 324.472 3.026 20 10 DGCDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000780893852 623995621 /nfs/dbraw/zinc/99/56/21/623995621.db2.gz 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624058121 /nfs/dbraw/zinc/05/81/21/624058121.db2.gz ZYEVIMBVCSHARO-YPMHNXCESA-N 1 1 303.324 3.242 20 10 DGCDMO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000781526424 624087695 /nfs/dbraw/zinc/08/76/95/624087695.db2.gz DCLWQXGDYVFANZ-AWEZNQCLSA-N 1 1 311.809 3.272 20 10 DGCDMO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000781526424 624087698 /nfs/dbraw/zinc/08/76/98/624087698.db2.gz DCLWQXGDYVFANZ-AWEZNQCLSA-N 1 1 311.809 3.272 20 10 DGCDMO Cc1cc(Br)c([O-])c(C[N@@H+]2CCSC[C@H]2C)c1 ZINC000781907898 624169073 /nfs/dbraw/zinc/16/90/73/624169073.db2.gz HEXBMYAEHSWMPK-SNVBAGLBSA-N 1 1 316.264 3.400 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCSC[C@H]2C)c1 ZINC000781907898 624169076 /nfs/dbraw/zinc/16/90/76/624169076.db2.gz HEXBMYAEHSWMPK-SNVBAGLBSA-N 1 1 316.264 3.400 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCSC[C@H]2C)c1 ZINC000781907898 624169079 /nfs/dbraw/zinc/16/90/79/624169079.db2.gz HEXBMYAEHSWMPK-SNVBAGLBSA-N 1 1 316.264 3.400 20 10 DGCDMO Cc1cc(Br)c([O-])c(C[N@@H+]2CCCOC[C@@H]2C)c1 ZINC000781914740 624170570 /nfs/dbraw/zinc/17/05/70/624170570.db2.gz ZHWWCGRPKKCQFR-NSHDSACASA-N 1 1 314.223 3.074 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCCOC[C@@H]2C)c1 ZINC000781914740 624170578 /nfs/dbraw/zinc/17/05/78/624170578.db2.gz ZHWWCGRPKKCQFR-NSHDSACASA-N 1 1 314.223 3.074 20 10 DGCDMO C[C@H]1OCC[C@@H]1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000878240775 624224215 /nfs/dbraw/zinc/22/42/15/624224215.db2.gz KUELRRIMHBBOSV-HUUCEWRRSA-N 1 1 301.386 3.412 20 10 DGCDMO CC(C)[C@@H](O)CC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000878241244 624225059 /nfs/dbraw/zinc/22/50/59/624225059.db2.gz SJOCPLQGBPZQIT-KRWDZBQOSA-N 1 1 303.402 3.394 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2Cc3ccccc3OC[C@@H]2C)c1O ZINC000782286040 624232884 /nfs/dbraw/zinc/23/28/84/624232884.db2.gz BPXGKVOGYFGZFT-AWEZNQCLSA-N 1 1 313.397 3.492 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccccc1O ZINC000805749218 624378054 /nfs/dbraw/zinc/37/80/54/624378054.db2.gz WQGUVPNQGAOWHK-UWVGGRQHSA-N 1 1 322.206 3.357 20 10 DGCDMO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000790934287 625717406 /nfs/dbraw/zinc/71/74/06/625717406.db2.gz JTQPVNNUOFFOIO-WDEREUQCSA-N 1 1 301.789 3.310 20 10 DGCDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000790934287 625717411 /nfs/dbraw/zinc/71/74/11/625717411.db2.gz JTQPVNNUOFFOIO-WDEREUQCSA-N 1 1 301.789 3.310 20 10 DGCDMO CCS[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000879651446 624624291 /nfs/dbraw/zinc/62/42/91/624624291.db2.gz WGIXGMFBBCWMIG-WDEREUQCSA-N 1 1 307.419 3.440 20 10 DGCDMO COCC[N@@H+](Cc1scnc1C)Cc1cc(C)c(C)cc1O ZINC000787311681 624999418 /nfs/dbraw/zinc/99/94/18/624999418.db2.gz YEEGDRLBYJPHPB-UHFFFAOYSA-N 1 1 320.458 3.423 20 10 DGCDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1C ZINC000787421493 625008587 /nfs/dbraw/zinc/00/85/87/625008587.db2.gz SGNGOPDWTUHEML-YJBOKZPZSA-N 1 1 316.445 3.060 20 10 DGCDMO COc1ccc(N(C)C[C@H]2CCCC[N@H+]2C(C)C)c(OC)c1 ZINC000787732695 625043354 /nfs/dbraw/zinc/04/33/54/625043354.db2.gz ZASLTUATZXJFBT-OAHLLOKOSA-N 1 1 306.450 3.403 20 10 DGCDMO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788646169 625235084 /nfs/dbraw/zinc/23/50/84/625235084.db2.gz BKDRZJFGDLXNQG-GHMZBOCLSA-N 1 1 313.323 3.347 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCn1cnc2ccccc21 ZINC000790958951 625723475 /nfs/dbraw/zinc/72/34/75/625723475.db2.gz UYAATSZJFLRPHZ-UHFFFAOYSA-N 1 1 319.767 3.324 20 10 DGCDMO OC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1CCCCC1 ZINC000790970502 625725436 /nfs/dbraw/zinc/72/54/36/625725436.db2.gz JXKSUFFABZWKOA-CYBMUJFWSA-N 1 1 301.789 3.216 20 10 DGCDMO Cc1ccc(C[C@@H](CO)[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000790990803 625732389 /nfs/dbraw/zinc/73/23/89/625732389.db2.gz FWVVSCUSKCSINS-ZDUSSCGKSA-N 1 1 323.795 3.186 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000882914332 625857642 /nfs/dbraw/zinc/85/76/42/625857642.db2.gz OXIXABYMWRTXBX-UHFFFAOYSA-N 1 1 318.367 3.429 20 10 DGCDMO OCC[N@H+](CCc1ccccc1)Cc1c(O)ccc(Cl)c1F ZINC000792166868 625917927 /nfs/dbraw/zinc/91/79/27/625917927.db2.gz UUJRJVGSBCVBHP-UHFFFAOYSA-N 1 1 323.795 3.222 20 10 DGCDMO OCC[N@@H+](CCc1ccccc1)Cc1c(O)ccc(Cl)c1F ZINC000792166868 625917931 /nfs/dbraw/zinc/91/79/31/625917931.db2.gz UUJRJVGSBCVBHP-UHFFFAOYSA-N 1 1 323.795 3.222 20 10 DGCDMO COCC[C@H](Cc1ccco1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883086511 625921831 /nfs/dbraw/zinc/92/18/31/625921831.db2.gz XPLQTQBYSXVKOC-CYBMUJFWSA-N 1 1 311.328 3.001 20 10 DGCDMO CO[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)Cc1ccccc1 ZINC000883132021 625937919 /nfs/dbraw/zinc/93/79/19/625937919.db2.gz CSHIJIHAUNGCBH-HNNXBMFYSA-N 1 1 307.340 3.018 20 10 DGCDMO COC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1cccc(OC)c1 ZINC000883167157 625950618 /nfs/dbraw/zinc/95/06/18/625950618.db2.gz REFNJCSWXKEFBW-INIZCTEOSA-N 1 1 323.339 3.156 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCSCCC(F)(F)F ZINC000883198594 625967347 /nfs/dbraw/zinc/96/73/47/625967347.db2.gz MKHKZZCYNFNPGJ-UHFFFAOYSA-N 1 1 315.307 3.446 20 10 DGCDMO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(F)cc1O ZINC000796680639 626073361 /nfs/dbraw/zinc/07/33/61/626073361.db2.gz XJZHWQYZCNCHJB-YOEHRIQHSA-N 1 1 319.376 3.012 20 10 DGCDMO CC[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(F)cc1O ZINC000796819440 626086317 /nfs/dbraw/zinc/08/63/17/626086317.db2.gz XNGJNFIXYZURFW-CVEARBPZSA-N 1 1 307.340 3.445 20 10 DGCDMO CC[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(F)cc1O ZINC000796819442 626086435 /nfs/dbraw/zinc/08/64/35/626086435.db2.gz XNGJNFIXYZURFW-HZPDHXFCSA-N 1 1 307.340 3.445 20 10 DGCDMO C[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1cccc(C(F)(F)F)c1O ZINC000798181489 626200222 /nfs/dbraw/zinc/20/02/22/626200222.db2.gz KPLBNRJYKBVIFH-SWHJWPDWSA-N 1 1 323.380 3.219 20 10 DGCDMO C[C@@H](c1ncc(Br)cn1)[N@H+](C)Cc1ccccc1O ZINC000798194730 626201284 /nfs/dbraw/zinc/20/12/84/626201284.db2.gz AEVUWEHVHZXNFS-JTQLQIEISA-N 1 1 322.206 3.138 20 10 DGCDMO C[C@@H](c1ncc(Br)cn1)[N@@H+](C)Cc1ccccc1O ZINC000798194730 626201287 /nfs/dbraw/zinc/20/12/87/626201287.db2.gz AEVUWEHVHZXNFS-JTQLQIEISA-N 1 1 322.206 3.138 20 10 DGCDMO COC(=O)CC1(C[N@@H+]2CCCCc3cc(OC)ccc32)CC1 ZINC000799311434 626288078 /nfs/dbraw/zinc/28/80/78/626288078.db2.gz UYMHMVNFZNUIEC-UHFFFAOYSA-N 1 1 303.402 3.181 20 10 DGCDMO COC(=O)CC1(C[N@H+]2CCCCc3cc(OC)ccc32)CC1 ZINC000799311434 626288081 /nfs/dbraw/zinc/28/80/81/626288081.db2.gz UYMHMVNFZNUIEC-UHFFFAOYSA-N 1 1 303.402 3.181 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)Cc1cnc(OC)nc1C ZINC000801596335 626411212 /nfs/dbraw/zinc/41/12/12/626411212.db2.gz VNQSAMSHDQXFHL-UHFFFAOYSA-N 1 1 315.417 3.302 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000801595192 626411334 /nfs/dbraw/zinc/41/13/34/626411334.db2.gz IXYMDULUAXZSLA-HNNXBMFYSA-N 1 1 303.402 3.090 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CCCCC1 ZINC000801598631 626411908 /nfs/dbraw/zinc/41/19/08/626411908.db2.gz DHIVXQMAWYXCEU-MRXNPFEDSA-N 1 1 318.461 3.395 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccc(F)cc1O ZINC000883263283 626628470 /nfs/dbraw/zinc/62/84/70/626628470.db2.gz OJXFSUYBTHNECO-DZGCQCFKSA-N 1 1 323.408 3.158 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(Cl)cc1O ZINC000883275746 626633010 /nfs/dbraw/zinc/63/30/10/626633010.db2.gz AIGPSKUMJCQVHQ-YPMHNXCESA-N 1 1 309.793 3.140 20 10 DGCDMO CCc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)[nH+]c1 ZINC000883385389 626668955 /nfs/dbraw/zinc/66/89/55/626668955.db2.gz KXLXCPUDWAFIRJ-UHFFFAOYSA-N 1 1 315.392 3.232 20 10 DGCDMO CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131704402 626671180 /nfs/dbraw/zinc/67/11/80/626671180.db2.gz UMQQAMLCTDDCBK-MRXNPFEDSA-N 1 1 317.477 3.023 20 10 DGCDMO C[N@@H+](Cc1cccc(Br)c1O)C[C@H]1CCCCO1 ZINC000132601759 626729078 /nfs/dbraw/zinc/72/90/78/626729078.db2.gz QXXRHMDKJJVMNO-GFCCVEGCSA-N 1 1 314.223 3.156 20 10 DGCDMO C[N@H+](Cc1cccc(Br)c1O)C[C@H]1CCCCO1 ZINC000132601759 626729080 /nfs/dbraw/zinc/72/90/80/626729080.db2.gz QXXRHMDKJJVMNO-GFCCVEGCSA-N 1 1 314.223 3.156 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H]1C ZINC000840122424 626774420 /nfs/dbraw/zinc/77/44/20/626774420.db2.gz DBUFXZRWMOELNA-LRDDRELGSA-N 1 1 307.434 3.252 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CN1CC(C)(C)CC1=O ZINC000808142383 626797476 /nfs/dbraw/zinc/79/74/76/626797476.db2.gz PBRXBBMIMRXQNF-UHFFFAOYSA-N 1 1 317.477 3.179 20 10 DGCDMO COc1cc(C[N@H+]2CCc3cccc(OC)c3C2)c(O)cc1C ZINC000840137472 626825073 /nfs/dbraw/zinc/82/50/73/626825073.db2.gz WQUOSVHWEKAPHY-UHFFFAOYSA-N 1 1 313.397 3.276 20 10 DGCDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2c(O)ccc3ccncc32)C12CCC2 ZINC000840138064 626826228 /nfs/dbraw/zinc/82/62/28/626826228.db2.gz CKOSAQLZHKUSFY-ROUUACIJSA-N 1 1 312.413 3.330 20 10 DGCDMO COc1cc(C)cc(C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)c1O ZINC000840143721 626857706 /nfs/dbraw/zinc/85/77/06/626857706.db2.gz XGMYWQQADWRJCG-HOTGVXAUSA-N 1 1 305.418 3.099 20 10 DGCDMO COc1cc(C)cc(C[N@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c1O ZINC000840143722 626857887 /nfs/dbraw/zinc/85/78/87/626857887.db2.gz XGMYWQQADWRJCG-HZPDHXFCSA-N 1 1 305.418 3.099 20 10 DGCDMO CC(C)[N@@H+](CCO)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809541272 626917543 /nfs/dbraw/zinc/91/75/43/626917543.db2.gz HRERZHXBSLDVIX-UHFFFAOYSA-N 1 1 324.468 3.452 20 10 DGCDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000809642310 626931805 /nfs/dbraw/zinc/93/18/05/626931805.db2.gz DSUYQZZRPVXVAP-KRWDZBQOSA-N 1 1 315.413 3.174 20 10 DGCDMO OC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1C(F)(F)F ZINC000809697884 626937906 /nfs/dbraw/zinc/93/79/06/626937906.db2.gz QYTDQXLUGSSBAT-JQWIXIFHSA-N 1 1 323.742 3.038 20 10 DGCDMO CCC[N@@H+](CCN1CCCC1)Cc1cccc(OCC)c1O ZINC000809700781 626938812 /nfs/dbraw/zinc/93/88/12/626938812.db2.gz OASXBYNJDUQECZ-UHFFFAOYSA-N 1 1 306.450 3.099 20 10 DGCDMO CCCN(CC[NH+]1CCCC1)Cc1cccc(OCC)c1O ZINC000809700781 626938814 /nfs/dbraw/zinc/93/88/14/626938814.db2.gz OASXBYNJDUQECZ-UHFFFAOYSA-N 1 1 306.450 3.099 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000809705022 626939408 /nfs/dbraw/zinc/93/94/08/626939408.db2.gz MCFZWPLHPPIZND-PBWFPOADSA-N 1 1 312.816 3.242 20 10 DGCDMO C[NH+](Cc1cc(Cl)cc(F)c1[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000809705022 626939412 /nfs/dbraw/zinc/93/94/12/626939412.db2.gz MCFZWPLHPPIZND-PBWFPOADSA-N 1 1 312.816 3.242 20 10 DGCDMO C[NH+](Cc1cc(Cl)cc(F)c1[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000809705022 626939414 /nfs/dbraw/zinc/93/94/14/626939414.db2.gz MCFZWPLHPPIZND-PBWFPOADSA-N 1 1 312.816 3.242 20 10 DGCDMO C[C@@H](CO)[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809742511 626944615 /nfs/dbraw/zinc/94/46/15/626944615.db2.gz AMCUKCQQDSYPJE-INIZCTEOSA-N 1 1 310.441 3.062 20 10 DGCDMO CCOC(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)o1 ZINC000809743101 626944652 /nfs/dbraw/zinc/94/46/52/626944652.db2.gz LQJLZGVZLMCPGR-UHFFFAOYSA-N 1 1 309.749 3.105 20 10 DGCDMO COCC[N@@H+](Cc1cccnc1)Cc1cc(Cl)ccc1O ZINC000809740693 626945069 /nfs/dbraw/zinc/94/50/69/626945069.db2.gz ARRYEILXFIKALW-UHFFFAOYSA-N 1 1 306.793 3.089 20 10 DGCDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000809749138 626946387 /nfs/dbraw/zinc/94/63/87/626946387.db2.gz KJQMFWSSYPCRKG-LBPRGKRZSA-N 1 1 309.381 3.085 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(O)c1 ZINC000809758692 626948274 /nfs/dbraw/zinc/94/82/74/626948274.db2.gz TXVYTQMQRBFDGZ-JKSUJKDBSA-N 1 1 319.445 3.430 20 10 DGCDMO CCOCc1cc(CN[C@@H](C)C[N@@H+](C)C(C)C)ccc1OC ZINC000810163257 626982883 /nfs/dbraw/zinc/98/28/83/626982883.db2.gz NCVVBUUYWVQLTO-HNNXBMFYSA-N 1 1 308.466 3.050 20 10 DGCDMO CCOCc1cc(C[NH2+][C@@H](C)CN(C)C(C)C)ccc1OC ZINC000810163257 626982887 /nfs/dbraw/zinc/98/28/87/626982887.db2.gz NCVVBUUYWVQLTO-HNNXBMFYSA-N 1 1 308.466 3.050 20 10 DGCDMO CCc1nnc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)s1 ZINC000810259062 626993815 /nfs/dbraw/zinc/99/38/15/626993815.db2.gz AJHLZOZAJJUFKQ-WPRPVWTQSA-N 1 1 307.394 3.283 20 10 DGCDMO Cc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C2 ZINC000810259514 626994133 /nfs/dbraw/zinc/99/41/33/626994133.db2.gz KLSOKKBRPXQNFJ-SWLSCSKDSA-N 1 1 301.361 3.494 20 10 DGCDMO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000810257052 626994185 /nfs/dbraw/zinc/99/41/85/626994185.db2.gz GQQRLOJFGBESKX-HLTSFMKQSA-N 1 1 320.202 3.368 20 10 DGCDMO CC[C@H]([NH2+]Cc1ccc(OC)nc1OC)c1ccc(F)cc1O ZINC000810260525 626994624 /nfs/dbraw/zinc/99/46/24/626994624.db2.gz LGIFSROCSYMRIP-AWEZNQCLSA-N 1 1 320.364 3.184 20 10 DGCDMO C[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1c(O)cccc1F ZINC000886509028 627154610 /nfs/dbraw/zinc/15/46/10/627154610.db2.gz XWCOPKKRIAKOCZ-DOMZBBRYSA-N 1 1 305.397 3.493 20 10 DGCDMO C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1c(O)cccc1F ZINC000886522759 627156643 /nfs/dbraw/zinc/15/66/43/627156643.db2.gz QIWYIJOLDYAFDG-NSHDSACASA-N 1 1 312.385 3.097 20 10 DGCDMO C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1c(O)cccc1F ZINC000886548024 627160775 /nfs/dbraw/zinc/16/07/75/627160775.db2.gz WGQVHVCZNNSHPX-NSHDSACASA-N 1 1 303.333 3.153 20 10 DGCDMO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1c(O)cccc1F ZINC000886547911 627160798 /nfs/dbraw/zinc/16/07/98/627160798.db2.gz UIEFAGBIXMSDHZ-LLVKDONJSA-N 1 1 322.405 3.064 20 10 DGCDMO C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1c(O)cccc1F ZINC000886557300 627163126 /nfs/dbraw/zinc/16/31/26/627163126.db2.gz XWFKCKNXEUEWRB-NSHDSACASA-N 1 1 301.365 3.092 20 10 DGCDMO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886597190 627170324 /nfs/dbraw/zinc/17/03/24/627170324.db2.gz YSLBJUXLKUNKGM-DZGCQCFKSA-N 1 1 303.377 3.094 20 10 DGCDMO C[C@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1c(O)cccc1F ZINC000886631883 627177239 /nfs/dbraw/zinc/17/72/39/627177239.db2.gz YMZDCVOOQRDKSC-ORAYPTAESA-N 1 1 315.388 3.058 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1c(O)cccc1F ZINC000886649561 627180670 /nfs/dbraw/zinc/18/06/70/627180670.db2.gz DGLLMXJUWKJAGF-KGLIPLIRSA-N 1 1 323.408 3.158 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811512617 627285186 /nfs/dbraw/zinc/28/51/86/627285186.db2.gz HEYJKAJGRRSXCB-MRXNPFEDSA-N 1 1 324.424 3.038 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1O ZINC000887562284 627286502 /nfs/dbraw/zinc/28/65/02/627286502.db2.gz PYDJBKAUMYPEEJ-UHFFFAOYSA-N 1 1 306.450 3.014 20 10 DGCDMO COc1cc(C)cc(C[N@H+](C)C2CCN(C(C)C)CC2)c1O ZINC000887562284 627286505 /nfs/dbraw/zinc/28/65/05/627286505.db2.gz PYDJBKAUMYPEEJ-UHFFFAOYSA-N 1 1 306.450 3.014 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)C2CCN(C(C)C)CC2)c1O ZINC000887562284 627286510 /nfs/dbraw/zinc/28/65/10/627286510.db2.gz PYDJBKAUMYPEEJ-UHFFFAOYSA-N 1 1 306.450 3.014 20 10 DGCDMO CCCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000811520572 627287163 /nfs/dbraw/zinc/28/71/63/627287163.db2.gz QQMBCKRSUQMSJC-QGZVFWFLSA-N 1 1 303.494 3.449 20 10 DGCDMO CCCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000811520572 627287164 /nfs/dbraw/zinc/28/71/64/627287164.db2.gz QQMBCKRSUQMSJC-QGZVFWFLSA-N 1 1 303.494 3.449 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O ZINC000811792604 627322688 /nfs/dbraw/zinc/32/26/88/627322688.db2.gz PZOIYQDOJFRWNA-QAPCUYQASA-N 1 1 317.429 3.243 20 10 DGCDMO COCC[C@H]1COCC[N@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000812297427 627367913 /nfs/dbraw/zinc/36/79/13/627367913.db2.gz HRCAKKKGUNWOOL-INIZCTEOSA-N 1 1 307.434 3.061 20 10 DGCDMO Cn1nc2c(c1C[NH2+]Cc1c(O)ccc(Cl)c1F)CCCC2 ZINC000812773761 627418961 /nfs/dbraw/zinc/41/89/61/627418961.db2.gz QPPLMGQZTJORPJ-UHFFFAOYSA-N 1 1 323.799 3.087 20 10 DGCDMO Cc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)c1O ZINC000814176831 627546613 /nfs/dbraw/zinc/54/66/13/627546613.db2.gz VVXMVWURBJTHFM-GFCCVEGCSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1cccc(C[N@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)c1O ZINC000814176831 627546615 /nfs/dbraw/zinc/54/66/15/627546615.db2.gz VVXMVWURBJTHFM-GFCCVEGCSA-N 1 1 303.324 3.242 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c(O)c1 ZINC000814178420 627547413 /nfs/dbraw/zinc/54/74/13/627547413.db2.gz PFEQURBYZAFBTR-MRXNPFEDSA-N 1 1 305.418 3.039 20 10 DGCDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815061325 627621550 /nfs/dbraw/zinc/62/15/50/627621550.db2.gz QMDSAKXAJYSKIM-LJQANCHMSA-N 1 1 312.461 3.440 20 10 DGCDMO Cc1cc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)ccc1N(C)C ZINC000815119891 627630869 /nfs/dbraw/zinc/63/08/69/627630869.db2.gz JWRNWXLXYOWKTK-UHFFFAOYSA-N 1 1 324.424 3.434 20 10 DGCDMO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1cccc(C(F)(F)F)c1O ZINC000815553037 627684350 /nfs/dbraw/zinc/68/43/50/627684350.db2.gz QIZCDOBHPWRCQJ-SNVBAGLBSA-N 1 1 304.356 3.402 20 10 DGCDMO C[C@H]([NH2+]CC1(O)CCCC1)c1cccc(C(F)(F)F)c1O ZINC000815579572 627687145 /nfs/dbraw/zinc/68/71/45/627687145.db2.gz QFLJSKWGPXWMLW-JTQLQIEISA-N 1 1 303.324 3.367 20 10 DGCDMO C[C@H]([NH2+]C1COC(C)(C)OC1)c1cccc(C(F)(F)F)c1O ZINC000815616764 627691226 /nfs/dbraw/zinc/69/12/26/627691226.db2.gz XNILIYRSQQSMEW-VIFPVBQESA-N 1 1 319.323 3.213 20 10 DGCDMO C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1cccc(C(F)(F)F)c1O ZINC000815620210 627691549 /nfs/dbraw/zinc/69/15/49/627691549.db2.gz KKVCTNYBXVFGKK-HTQZYQBOSA-N 1 1 313.266 3.078 20 10 DGCDMO CO[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)C1CC1 ZINC000815651677 627694505 /nfs/dbraw/zinc/69/45/05/627694505.db2.gz ZUHLJBFQFUPDGC-NOZJJQNGSA-N 1 1 303.324 3.487 20 10 DGCDMO Cc1nonc1[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000925008223 627700052 /nfs/dbraw/zinc/70/00/52/627700052.db2.gz XKTWJFHZUSDKQZ-AWEZNQCLSA-N 1 1 314.433 3.465 20 10 DGCDMO Cc1nonc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000925008224 627700137 /nfs/dbraw/zinc/70/01/37/627700137.db2.gz XKTWJFHZUSDKQZ-CQSZACIVSA-N 1 1 314.433 3.465 20 10 DGCDMO CCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816493471 627796912 /nfs/dbraw/zinc/79/69/12/627796912.db2.gz CTVGQXMSDIQEBD-UHFFFAOYSA-N 1 1 314.832 3.491 20 10 DGCDMO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816515759 627799995 /nfs/dbraw/zinc/79/99/95/627799995.db2.gz KDXXIXIIEUZFCD-LBPRGKRZSA-N 1 1 314.832 3.348 20 10 DGCDMO [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000816521118 627801165 /nfs/dbraw/zinc/80/11/65/627801165.db2.gz HQRBEIMHAWYDPV-NEPJUHHUSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000816521118 627801167 /nfs/dbraw/zinc/80/11/67/627801167.db2.gz HQRBEIMHAWYDPV-NEPJUHHUSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000816521118 627801170 /nfs/dbraw/zinc/80/11/70/627801170.db2.gz HQRBEIMHAWYDPV-NEPJUHHUSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCn1cnc2ccccc21 ZINC000816541832 627804057 /nfs/dbraw/zinc/80/40/57/627804057.db2.gz VWUNTEYTNMMGNN-UHFFFAOYSA-N 1 1 319.767 3.324 20 10 DGCDMO CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816543519 627805029 /nfs/dbraw/zinc/80/50/29/627805029.db2.gz DMYALFKQYSXFOH-LLVKDONJSA-N 1 1 300.805 3.006 20 10 DGCDMO CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816548366 627805532 /nfs/dbraw/zinc/80/55/32/627805532.db2.gz FLWQCTCVCVGBEW-LBPRGKRZSA-N 1 1 314.832 3.395 20 10 DGCDMO OC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc(F)c1 ZINC000816550312 627806007 /nfs/dbraw/zinc/80/60/07/627806007.db2.gz NVQUHSWSMPIMQA-CQSZACIVSA-N 1 1 313.731 3.147 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000816559186 627807669 /nfs/dbraw/zinc/80/76/69/627807669.db2.gz AWILNVYBFFYTPJ-VQISRLSMSA-N 1 1 311.784 3.232 20 10 DGCDMO CCC(CC)(C[NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)OC ZINC000816565547 627808193 /nfs/dbraw/zinc/80/81/93/627808193.db2.gz SPWCIAYNTJMNSG-UHFFFAOYSA-N 1 1 317.788 3.254 20 10 DGCDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816562733 627808552 /nfs/dbraw/zinc/80/85/52/627808552.db2.gz WZSLXHKKBBQGRO-UHFFFAOYSA-N 1 1 310.712 3.383 20 10 DGCDMO COC[C@H]1CCCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816571073 627809927 /nfs/dbraw/zinc/80/99/27/627809927.db2.gz RHUWHJJJOSAXBK-NSHDSACASA-N 1 1 301.789 3.433 20 10 DGCDMO COC[C@H]1CCCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816571073 627809932 /nfs/dbraw/zinc/80/99/32/627809932.db2.gz RHUWHJJJOSAXBK-NSHDSACASA-N 1 1 301.789 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000816603867 627813782 /nfs/dbraw/zinc/81/37/82/627813782.db2.gz RMVHKDOKWPQULR-UHFFFAOYSA-N 1 1 309.772 3.007 20 10 DGCDMO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)c(F)cc1O ZINC000816609528 627814364 /nfs/dbraw/zinc/81/43/64/627814364.db2.gz FDWHDAQCYHNREI-XHDPSFHLSA-N 1 1 312.816 3.243 20 10 DGCDMO OC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)C1CCCCC1 ZINC000816649749 627819752 /nfs/dbraw/zinc/81/97/52/627819752.db2.gz JJQWAQKHLPSBMM-CYBMUJFWSA-N 1 1 315.816 3.463 20 10 DGCDMO CC(C)[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CCCO1 ZINC000816676280 627823506 /nfs/dbraw/zinc/82/35/06/627823506.db2.gz WWAQJFXMYMIRLS-HNNXBMFYSA-N 1 1 301.789 3.432 20 10 DGCDMO CC(C)[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CCCO1 ZINC000816676280 627823510 /nfs/dbraw/zinc/82/35/10/627823510.db2.gz WWAQJFXMYMIRLS-HNNXBMFYSA-N 1 1 301.789 3.432 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C3CCCC3)C2)cc1OC ZINC000817371383 627890311 /nfs/dbraw/zinc/89/03/11/627890311.db2.gz WOUIBYUYCZYZTP-CQSZACIVSA-N 1 1 305.418 3.422 20 10 DGCDMO CON1CCC([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000817588377 627927289 /nfs/dbraw/zinc/92/72/89/627927289.db2.gz ONEHEJNRNILIEM-SECBINFHSA-N 1 1 319.232 3.375 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N ZINC000817894842 627954268 /nfs/dbraw/zinc/95/42/68/627954268.db2.gz QRVZSFSHBSGROH-OXQOHEQNSA-N 1 1 311.473 3.109 20 10 DGCDMO Cc1cc(N(C)C)ccc1CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000817894842 627954270 /nfs/dbraw/zinc/95/42/70/627954270.db2.gz QRVZSFSHBSGROH-OXQOHEQNSA-N 1 1 311.473 3.109 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCCNC1)c1ccc(N2CCCCCC2)cc1 ZINC000817940073 627967409 /nfs/dbraw/zinc/96/74/09/627967409.db2.gz DDSGCTXGUGVHHZ-AEFFLSMTSA-N 1 1 301.478 3.470 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCCc3sccc32)cc1 ZINC000817938748 627967582 /nfs/dbraw/zinc/96/75/82/627967582.db2.gz RHCNELAYAHIGIU-DLBZAZTESA-N 1 1 315.486 3.481 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000817938966 627968050 /nfs/dbraw/zinc/96/80/50/627968050.db2.gz WNRRDMUONLWSPB-MOPGFXCFSA-N 1 1 313.420 3.169 20 10 DGCDMO Cc1ccc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)n1 ZINC000817941141 627968354 /nfs/dbraw/zinc/96/83/54/627968354.db2.gz JDWNRLQWZKQWGG-IFXJQAMLSA-N 1 1 312.461 3.115 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H](c2cccnc2)C2CCC2)cc1 ZINC000817943262 627969287 /nfs/dbraw/zinc/96/92/87/627969287.db2.gz SXJZCELRPOIATI-VQTJNVASSA-N 1 1 324.472 3.278 20 10 DGCDMO CC[NH2+]CCCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817942669 627969511 /nfs/dbraw/zinc/96/95/11/627969511.db2.gz CNXBEKUZDBJZJJ-OAHLLOKOSA-N 1 1 307.457 3.466 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)nc1 ZINC000817944299 627969773 /nfs/dbraw/zinc/96/97/73/627969773.db2.gz ZASUBBGCJZSUED-BLLLJJGKSA-N 1 1 318.852 3.152 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc(Cl)ccc1[O-] ZINC000817947665 627970725 /nfs/dbraw/zinc/97/07/25/627970725.db2.gz FCXFVHPQACAPOP-LBPRGKRZSA-N 1 1 304.821 3.398 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817945800 627970952 /nfs/dbraw/zinc/97/09/52/627970952.db2.gz MIFOOHYKRPMRNM-SMDDNHRTSA-N 1 1 316.367 3.451 20 10 DGCDMO CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817955403 627974113 /nfs/dbraw/zinc/97/41/13/627974113.db2.gz XPOFPIHWZMRAGO-RISCZKNCSA-N 1 1 316.367 3.451 20 10 DGCDMO Cc1cc(Br)cc([C@H](C)NC[C@H]([NH3+])C(C)C)c1O ZINC000817958757 627974981 /nfs/dbraw/zinc/97/49/81/627974981.db2.gz MHATWOARCQPWCF-GWCFXTLKSA-N 1 1 315.255 3.097 20 10 DGCDMO Cc1cc(Br)cc([C@H](C)NC[C@@H]([NH3+])C(C)C)c1O ZINC000817958766 627975004 /nfs/dbraw/zinc/97/50/04/627975004.db2.gz MHATWOARCQPWCF-GXFFZTMASA-N 1 1 315.255 3.097 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1[O-] ZINC000817970427 627978705 /nfs/dbraw/zinc/97/87/05/627978705.db2.gz VDZGTFXEUCMYKY-DLOVCJGASA-N 1 1 313.239 3.075 20 10 DGCDMO C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000817970853 627980208 /nfs/dbraw/zinc/98/02/08/627980208.db2.gz GFQRNIGTUZQDSL-SOLBZPMBSA-N 1 1 301.478 3.468 20 10 DGCDMO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2c1c(F)ccc2[O-] ZINC000817985092 627983196 /nfs/dbraw/zinc/98/31/96/627983196.db2.gz ABZXAGCRHJYLSG-OKWIKPQFSA-N 1 1 304.409 3.057 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccc(F)cc1O ZINC000926929664 627983991 /nfs/dbraw/zinc/98/39/91/627983991.db2.gz YYNUBNCXTPMQKZ-MRVPVSSYSA-N 1 1 317.286 3.134 20 10 DGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1[O-] ZINC000817985689 627984529 /nfs/dbraw/zinc/98/45/29/627984529.db2.gz GYHNMPYSLSBXPV-KYEXWDHISA-N 1 1 308.853 3.393 20 10 DGCDMO C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(Cl)cc1O ZINC000927056907 628004314 /nfs/dbraw/zinc/00/43/14/628004314.db2.gz NXIWQKQUDSOWMP-LHAJWOIZSA-N 1 1 311.809 3.379 20 10 DGCDMO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc(C)c(C)cc2O)s1 ZINC000818231507 628007653 /nfs/dbraw/zinc/00/76/53/628007653.db2.gz LKMGULMARNBNEG-NSHDSACASA-N 1 1 320.414 3.103 20 10 DGCDMO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)s1 ZINC000818355513 628018003 /nfs/dbraw/zinc/01/80/03/628018003.db2.gz HAPRGKHNKXLEII-DTWKUNHWSA-N 1 1 324.377 3.186 20 10 DGCDMO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000818358307 628018340 /nfs/dbraw/zinc/01/83/40/628018340.db2.gz UDBUAKNICLKOEJ-UWVGGRQHSA-N 1 1 306.387 3.047 20 10 DGCDMO C[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccc(F)cc1O ZINC000927157670 628028743 /nfs/dbraw/zinc/02/87/43/628028743.db2.gz QPYJBEJEIMCSMQ-NRXGSXMXSA-N 1 1 315.388 3.275 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c(O)c1 ZINC000822515435 628460318 /nfs/dbraw/zinc/46/03/18/628460318.db2.gz ASJCITGQSSKMOB-LJQANCHMSA-N 1 1 315.413 3.130 20 10 DGCDMO Cc1cc(Br)cc(C[N@H+](C(C)C)C2COC2)c1O ZINC000824471559 628663288 /nfs/dbraw/zinc/66/32/88/628663288.db2.gz FEWHRSYJNRFZOY-UHFFFAOYSA-N 1 1 314.223 3.072 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)CCc2ccccc2C)cc1OC ZINC000824554352 628670939 /nfs/dbraw/zinc/67/09/39/628670939.db2.gz FFMPMFCYRRISIL-UHFFFAOYSA-N 1 1 315.413 3.392 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1Cl ZINC000824600988 628675982 /nfs/dbraw/zinc/67/59/82/628675982.db2.gz FKGNPOCGLHAGAB-ZDUSSCGKSA-N 1 1 319.836 3.467 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000824695698 628684493 /nfs/dbraw/zinc/68/44/93/628684493.db2.gz BHFCFEKFGLCFBD-SCTDSRPQSA-N 1 1 319.445 3.306 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1F ZINC000824696989 628684740 /nfs/dbraw/zinc/68/47/40/628684740.db2.gz WYIXCPIJYLYCLA-SZVBFZGTSA-N 1 1 320.452 3.407 20 10 DGCDMO C[C@@]12C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000824703141 628685148 /nfs/dbraw/zinc/68/51/48/628685148.db2.gz WKAHUKAMMLHABV-ZFMNYDKASA-N 1 1 324.468 3.167 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824721722 628687534 /nfs/dbraw/zinc/68/75/34/628687534.db2.gz IFSFWLMHAOSDKQ-ZLKJLUDKSA-N 1 1 313.800 3.310 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824721722 628687537 /nfs/dbraw/zinc/68/75/37/628687537.db2.gz IFSFWLMHAOSDKQ-ZLKJLUDKSA-N 1 1 313.800 3.310 20 10 DGCDMO CC[C@](C)(C[NH2+]Cc1cc(C)cc(Br)c1O)OC ZINC000824743810 628688802 /nfs/dbraw/zinc/68/88/02/628688802.db2.gz NQTQADVTETXTGH-CQSZACIVSA-N 1 1 316.239 3.368 20 10 DGCDMO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000824853597 628700551 /nfs/dbraw/zinc/70/05/51/628700551.db2.gz HDGZKGSHWZDPMA-SKDRFNHKSA-N 1 1 315.772 3.006 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000824940915 628709476 /nfs/dbraw/zinc/70/94/76/628709476.db2.gz FQKSRBFYTKDPEL-UXHICEINSA-N 1 1 312.457 3.144 20 10 DGCDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCCC1 ZINC000825123820 628730330 /nfs/dbraw/zinc/73/03/30/628730330.db2.gz CQIURUDEFQGPST-ZDUSSCGKSA-N 1 1 308.378 3.367 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1 ZINC000825124438 628730465 /nfs/dbraw/zinc/73/04/65/628730465.db2.gz PYZSKMABPKZCIG-CYBMUJFWSA-N 1 1 316.367 3.017 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCc3cc(OC)ccc3C2)c1 ZINC000827304817 628947298 /nfs/dbraw/zinc/94/72/98/628947298.db2.gz GRFXJDNGROGPCP-UHFFFAOYSA-N 1 1 313.397 3.358 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000827377066 628954061 /nfs/dbraw/zinc/95/40/61/628954061.db2.gz OOTWAYUAZDXYFA-WMLDXEAASA-N 1 1 305.418 3.182 20 10 DGCDMO CCc1cccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1O ZINC000827533768 628968641 /nfs/dbraw/zinc/96/86/41/628968641.db2.gz XKSYKPBHSCAAJG-UHFFFAOYSA-N 1 1 301.430 3.346 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000827537795 628968688 /nfs/dbraw/zinc/96/86/88/628968688.db2.gz HQRJDQIUIIQIRG-UHFFFAOYSA-N 1 1 307.821 3.437 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c1 ZINC000827789907 628991675 /nfs/dbraw/zinc/99/16/75/628991675.db2.gz YGIPTIKLOVYKJF-WCQYABFASA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c1 ZINC000827789907 628991678 /nfs/dbraw/zinc/99/16/78/628991678.db2.gz YGIPTIKLOVYKJF-WCQYABFASA-N 1 1 303.324 3.242 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000827849638 628997303 /nfs/dbraw/zinc/99/73/03/628997303.db2.gz GMLXELDRUHZYTM-CALCHBBNSA-N 1 1 307.821 3.438 20 10 DGCDMO C[C@H](O)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000827855458 628997638 /nfs/dbraw/zinc/99/76/38/628997638.db2.gz DIMBBWYAQSXKTH-MGPLVRAMSA-N 1 1 309.768 3.396 20 10 DGCDMO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1O ZINC000827946519 629006737 /nfs/dbraw/zinc/00/67/37/629006737.db2.gz KTBLIRCFKYKFRB-RHSMWYFYSA-N 1 1 316.445 3.367 20 10 DGCDMO CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)c(O)c1 ZINC000827962069 629008888 /nfs/dbraw/zinc/00/88/88/629008888.db2.gz FKKHQPLMAKTEEG-MEDUHNTESA-N 1 1 315.360 3.035 20 10 DGCDMO CCOc1ccc(C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)c(O)c1 ZINC000827962069 629008890 /nfs/dbraw/zinc/00/88/90/629008890.db2.gz FKKHQPLMAKTEEG-MEDUHNTESA-N 1 1 315.360 3.035 20 10 DGCDMO C[C@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000827964758 629009131 /nfs/dbraw/zinc/00/91/31/629009131.db2.gz UEAMMYHWKJQDKY-RDJZCZTQSA-N 1 1 324.424 3.092 20 10 DGCDMO Cc1cc(C[N@@H+](C)C[C@H](O)C2CC2)ccc1N1CCCCC1 ZINC000828015437 629014845 /nfs/dbraw/zinc/01/48/45/629014845.db2.gz FSQKLSHZLVNWRJ-IBGZPJMESA-N 1 1 302.462 3.188 20 10 DGCDMO Cc1cc(C[N@@H+](CC(N)=O)C(C)(C)C)ccc1N1CCCCC1 ZINC000828090856 629021936 /nfs/dbraw/zinc/02/19/36/629021936.db2.gz HEELEIXNDXLONX-UHFFFAOYSA-N 1 1 317.477 3.071 20 10 DGCDMO C[C@H](c1ccccc1)[N@@H+](CC[S@](C)=O)Cc1ccccc1O ZINC000828564202 629068289 /nfs/dbraw/zinc/06/82/89/629068289.db2.gz NNOQTXXVHWDKCI-QRQCRPRQSA-N 1 1 317.454 3.334 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)ccc1N1CCCCC1 ZINC000828755374 629088049 /nfs/dbraw/zinc/08/80/49/629088049.db2.gz MTLCKXBVQHLDIB-AEFFLSMTSA-N 1 1 302.462 3.188 20 10 DGCDMO Cc1cc(C[N@H+](C)[C@H](C)C[S@@](C)=O)ccc1N1CCCCC1 ZINC000828785150 629092119 /nfs/dbraw/zinc/09/21/19/629092119.db2.gz CLMKNTQHTFUVHB-OPAMFIHVSA-N 1 1 322.518 3.184 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)ccc1N1CCCCC1 ZINC000828987795 629117554 /nfs/dbraw/zinc/11/75/54/629117554.db2.gz LQKNTTXBBHQPHG-VQIMIIECSA-N 1 1 302.462 3.188 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)ccc1N1CCCCC1 ZINC000829121354 629132723 /nfs/dbraw/zinc/13/27/23/629132723.db2.gz TXUSSRIJHDCEDQ-KXBFYZLASA-N 1 1 302.462 3.188 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccncc2)C1)c1ccc(F)cc1O ZINC000834894729 629800306 /nfs/dbraw/zinc/80/03/06/629800306.db2.gz UHPSUMMCWPZGME-QITLCBANSA-N 1 1 316.376 3.497 20 10 DGCDMO CCC1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)COC1 ZINC000834901225 629802806 /nfs/dbraw/zinc/80/28/06/629802806.db2.gz YUUOKMAFQOLNOA-SNVBAGLBSA-N 1 1 303.324 3.488 20 10 DGCDMO CC[N@H+]1C[C@H](C)N(C/C=C\c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000835025883 629827955 /nfs/dbraw/zinc/82/79/55/629827955.db2.gz MLCWPEIXNLHALQ-IIAQQRLMSA-N 1 1 301.478 3.180 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000835024880 629828319 /nfs/dbraw/zinc/82/83/19/629828319.db2.gz AHSGZNBZIYEMFR-SUZKBHRPSA-N 1 1 324.472 3.379 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1 ZINC000835029268 629829182 /nfs/dbraw/zinc/82/91/82/629829182.db2.gz RXHBFOBPOQSIPW-SHCNBLLESA-N 1 1 324.472 3.064 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000835047337 629835725 /nfs/dbraw/zinc/83/57/25/629835725.db2.gz GGUQYTFPXLRSFX-WMHVBEDNSA-N 1 1 310.388 3.469 20 10 DGCDMO CCC[C@]1(CO)CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835051874 629837056 /nfs/dbraw/zinc/83/70/56/629837056.db2.gz AWHUXQVCZUGKRA-UEKDZROGSA-N 1 1 302.462 3.250 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@]2(C)CCCO)cc1 ZINC000835053121 629837507 /nfs/dbraw/zinc/83/75/07/629837507.db2.gz KUAVSMKNGCXIJC-OCTSTCLRSA-N 1 1 302.462 3.393 20 10 DGCDMO CC(C)[N@H+]1CC[C@H](N(C)C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835054611 629838708 /nfs/dbraw/zinc/83/87/08/629838708.db2.gz LOHBLQFXOABURE-GHOSXJJBSA-N 1 1 301.478 3.180 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000835055535 629838717 /nfs/dbraw/zinc/83/87/17/629838717.db2.gz VTRLDFCJBBDASF-BQWKOYSQSA-N 1 1 314.473 3.391 20 10 DGCDMO CC(C)[N@H+]1CC[C@@H](N(C)C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835054615 629838849 /nfs/dbraw/zinc/83/88/49/629838849.db2.gz LOHBLQFXOABURE-OVKVCFKUSA-N 1 1 301.478 3.180 20 10 DGCDMO CC1(C)C[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000835059581 629840641 /nfs/dbraw/zinc/84/06/41/629840641.db2.gz JFVWOKNMIBICJX-JTQLQIEISA-N 1 1 301.789 3.480 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c1 ZINC000835071389 629843672 /nfs/dbraw/zinc/84/36/72/629843672.db2.gz YBRYMYKGXNVIGO-GOSISDBHSA-N 1 1 305.418 3.254 20 10 DGCDMO CCn1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)n1 ZINC000840840680 630365474 /nfs/dbraw/zinc/36/54/74/630365474.db2.gz NMSMBGWRNUBVKW-JTQLQIEISA-N 1 1 313.323 3.478 20 10 DGCDMO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)c1 ZINC000840869741 630369655 /nfs/dbraw/zinc/36/96/55/630369655.db2.gz PSJPJGFJGXNTCL-SNVBAGLBSA-N 1 1 311.307 3.360 20 10 DGCDMO Cc1cc(O)c(C[NH2+]Cc2csc(N(C)C)n2)c(Cl)c1 ZINC000840902387 630375155 /nfs/dbraw/zinc/37/51/55/630375155.db2.gz OVVBAMZCPDZVMX-UHFFFAOYSA-N 1 1 311.838 3.166 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](CCO)Cc2ccccc2)c(Cl)c1 ZINC000840908171 630375589 /nfs/dbraw/zinc/37/55/89/630375589.db2.gz OJHOWFSCYWCBBH-UHFFFAOYSA-N 1 1 305.805 3.349 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000840915164 630377512 /nfs/dbraw/zinc/37/75/12/630377512.db2.gz LSZBFWFFKSZUPW-HXUWFJFHSA-N 1 1 310.441 3.153 20 10 DGCDMO CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840917967 630378223 /nfs/dbraw/zinc/37/82/23/630378223.db2.gz XMBSRJGEJGQVJK-KRWDZBQOSA-N 1 1 303.494 3.225 20 10 DGCDMO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(N(C)C)cc2C)C1 ZINC000840917967 630378225 /nfs/dbraw/zinc/37/82/25/630378225.db2.gz XMBSRJGEJGQVJK-KRWDZBQOSA-N 1 1 303.494 3.225 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000840919156 630378235 /nfs/dbraw/zinc/37/82/35/630378235.db2.gz WIQUBWMRWKAVAN-GOSISDBHSA-N 1 1 300.402 3.228 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000840919156 630378238 /nfs/dbraw/zinc/37/82/38/630378238.db2.gz WIQUBWMRWKAVAN-GOSISDBHSA-N 1 1 300.402 3.228 20 10 DGCDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000840919820 630378782 /nfs/dbraw/zinc/37/87/82/630378782.db2.gz OTLWDYKFCDKHCD-LJQANCHMSA-N 1 1 312.461 3.440 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000840940507 630381485 /nfs/dbraw/zinc/38/14/85/630381485.db2.gz CRWUPHFJQPHEAU-QGZVFWFLSA-N 1 1 312.461 3.174 20 10 DGCDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840945261 630381963 /nfs/dbraw/zinc/38/19/63/630381963.db2.gz GVROHOFODQLOAI-CQSZACIVSA-N 1 1 324.852 3.092 20 10 DGCDMO COCC[N@@H+](Cc1cccnc1)Cc1ccc(N(C)C)cc1C ZINC000840948817 630382439 /nfs/dbraw/zinc/38/24/39/630382439.db2.gz LAKWSDPTRGZYIQ-UHFFFAOYSA-N 1 1 313.445 3.105 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000840947796 630382445 /nfs/dbraw/zinc/38/24/45/630382445.db2.gz GBTFSLUVHIGVPJ-UHFFFAOYSA-N 1 1 310.445 3.084 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c(Cl)c1 ZINC000840948961 630382879 /nfs/dbraw/zinc/38/28/79/630382879.db2.gz KEESNJOCOFMNKF-IAGOWNOFSA-N 1 1 307.821 3.497 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c(Cl)c1 ZINC000840948961 630382882 /nfs/dbraw/zinc/38/28/82/630382882.db2.gz KEESNJOCOFMNKF-IAGOWNOFSA-N 1 1 307.821 3.497 20 10 DGCDMO Cc1nccn1CCC[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840947946 630382912 /nfs/dbraw/zinc/38/29/12/630382912.db2.gz DQRSNHHLCQXFSB-UHFFFAOYSA-N 1 1 300.450 3.088 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCCc3c(cnn3C)C2)cc1 ZINC000840954964 630384162 /nfs/dbraw/zinc/38/41/62/630384162.db2.gz OAZBFMNQTWCRED-UHFFFAOYSA-N 1 1 312.461 3.215 20 10 DGCDMO Cn1ncc2c1CCC[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000840953892 630384256 /nfs/dbraw/zinc/38/42/56/630384256.db2.gz CCFIVZLBVKOATM-UHFFFAOYSA-N 1 1 324.472 3.359 20 10 DGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000840955111 630384406 /nfs/dbraw/zinc/38/44/06/630384406.db2.gz QTWMCNAEVSXSSK-KRWDZBQOSA-N 1 1 301.361 3.230 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840959653 630386605 /nfs/dbraw/zinc/38/66/05/630386605.db2.gz ZFBSDZUIIRGGOB-CZUORRHYSA-N 1 1 321.779 3.493 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840959653 630386607 /nfs/dbraw/zinc/38/66/07/630386607.db2.gz ZFBSDZUIIRGGOB-CZUORRHYSA-N 1 1 321.779 3.493 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1O ZINC000840968607 630388049 /nfs/dbraw/zinc/38/80/49/630388049.db2.gz ATEUXVZXDPJICD-GOSISDBHSA-N 1 1 319.445 3.428 20 10 DGCDMO CN(C)c1ccc(/C=C\C[NH+]2CC(CO)(c3ccccc3)C2)cc1 ZINC000840970180 630388976 /nfs/dbraw/zinc/38/89/76/630388976.db2.gz PEBWFKGSXMUMQN-SREVYHEPSA-N 1 1 322.452 3.012 20 10 DGCDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000840975594 630390130 /nfs/dbraw/zinc/39/01/30/630390130.db2.gz ZJINIKJXUVWSQH-HNNXBMFYSA-N 1 1 322.836 3.023 20 10 DGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(Cl)c(F)c2)cc1 ZINC000841041166 630400654 /nfs/dbraw/zinc/40/06/54/630400654.db2.gz BCTXTWDRQNBJFZ-QGZVFWFLSA-N 1 1 321.827 3.335 20 10 DGCDMO CN(C)c1ccc(/C=C\CN[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000841039401 630400682 /nfs/dbraw/zinc/40/06/82/630400682.db2.gz NLVOZRPHMKQYNE-RURPWVQCSA-N 1 1 301.478 3.263 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841087481 630406146 /nfs/dbraw/zinc/40/61/46/630406146.db2.gz OGGTZBSZPCRDKU-XHDPSFHLSA-N 1 1 312.816 3.149 20 10 DGCDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299461 630424512 /nfs/dbraw/zinc/42/45/12/630424512.db2.gz GWOPFFXVMDHINO-SFHVURJKSA-N 1 1 324.428 3.007 20 10 DGCDMO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(Cl)cc1O ZINC000841743839 630461240 /nfs/dbraw/zinc/46/12/40/630461240.db2.gz KKAHPJCUSYNBAP-NSHDSACASA-N 1 1 320.824 3.214 20 10 DGCDMO C[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc(Cl)cc1O ZINC000841746383 630461609 /nfs/dbraw/zinc/46/16/09/630461609.db2.gz FRNVRSLZPBFVIN-NSHDSACASA-N 1 1 319.792 3.120 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000842620157 630554366 /nfs/dbraw/zinc/55/43/66/630554366.db2.gz ZNRNMBXZFRIOEO-CRAIPNDOSA-N 1 1 312.413 3.331 20 10 DGCDMO C[NH2+]C[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843045266 630607537 /nfs/dbraw/zinc/60/75/37/630607537.db2.gz TVSCOJVQRVAVMJ-GOSISDBHSA-N 1 1 301.478 3.108 20 10 DGCDMO CCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C1CC[NH2+]CC1 ZINC000843044579 630607854 /nfs/dbraw/zinc/60/78/54/630607854.db2.gz JXSYRZRUPNTUGS-UHFFFAOYSA-N 1 1 312.841 3.018 20 10 DGCDMO CCC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CC[NH2+]CC1 ZINC000843044579 630607855 /nfs/dbraw/zinc/60/78/55/630607855.db2.gz JXSYRZRUPNTUGS-UHFFFAOYSA-N 1 1 312.841 3.018 20 10 DGCDMO CCC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CC[NH2+]CC1 ZINC000843044579 630607858 /nfs/dbraw/zinc/60/78/58/630607858.db2.gz JXSYRZRUPNTUGS-UHFFFAOYSA-N 1 1 312.841 3.018 20 10 DGCDMO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cnc(-c2ccccc2)[nH]1 ZINC000843057646 630609464 /nfs/dbraw/zinc/60/94/64/630609464.db2.gz GKQVUPAJUSGJII-UHFFFAOYSA-N 1 1 318.424 3.488 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000843117385 630615720 /nfs/dbraw/zinc/61/57/20/630615720.db2.gz PCQQJIAXSKEFPG-IBGZPJMESA-N 1 1 301.478 3.108 20 10 DGCDMO [NH3+]C[C@H]1c2ccccc2CCN1Cc1c(O)ccc(Cl)c1F ZINC000843128770 630617149 /nfs/dbraw/zinc/61/71/49/630617149.db2.gz LJVZQTVTAQXCBY-HNNXBMFYSA-N 1 1 320.795 3.243 20 10 DGCDMO [NH3+]C[C@@H]1c2ccccc2CCN1Cc1cccc(Cl)c1O ZINC000843129574 630617737 /nfs/dbraw/zinc/61/77/37/630617737.db2.gz PXHYUBBSKIVPST-MRXNPFEDSA-N 1 1 302.805 3.104 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c(O)c1 ZINC000843417078 630654324 /nfs/dbraw/zinc/65/43/24/630654324.db2.gz OWYDAMCQMQWXSM-DOTOQJQBSA-N 1 1 305.418 3.182 20 10 DGCDMO C[N@@H+](Cc1c(O)cccc1Cl)C[C@@]1(O)CCc2ccccc21 ZINC000843422149 630656178 /nfs/dbraw/zinc/65/61/78/630656178.db2.gz VDFSVIBIWGSFBF-SFHVURJKSA-N 1 1 317.816 3.311 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@]1(O)CCc2ccccc21 ZINC000843422500 630656342 /nfs/dbraw/zinc/65/63/42/630656342.db2.gz WPOXBHNLYFPELT-SFHVURJKSA-N 1 1 317.816 3.311 20 10 DGCDMO COC(=O)c1cccc2c1C[N@@H+](Cc1cccc(C)c1O)CC2 ZINC000843430004 630657832 /nfs/dbraw/zinc/65/78/32/630657832.db2.gz LJSZGSWFDBJGAG-UHFFFAOYSA-N 1 1 311.381 3.046 20 10 DGCDMO CC(C)[C@H]1[N@@H+](Cc2cc3c(cc2O)OCO3)CC12CC=CC2 ZINC000843431508 630658104 /nfs/dbraw/zinc/65/81/04/630658104.db2.gz FWAPSOWRHDUSLW-QGZVFWFLSA-N 1 1 301.386 3.298 20 10 DGCDMO C[C@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC2(CCC2)O1 ZINC000843431702 630658204 /nfs/dbraw/zinc/65/82/04/630658204.db2.gz BUBJQFCCUMSJIB-LEXSJLIMSA-N 1 1 300.446 3.409 20 10 DGCDMO CC(C)[C@@H]1[N@@H+](Cc2cc3c(cc2O)OCO3)CC12CC=CC2 ZINC000843431507 630658297 /nfs/dbraw/zinc/65/82/97/630658297.db2.gz FWAPSOWRHDUSLW-KRWDZBQOSA-N 1 1 301.386 3.298 20 10 DGCDMO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cccc(Br)c1O ZINC000846017136 631206301 /nfs/dbraw/zinc/20/63/01/631206301.db2.gz LJVPFQDTPUQZSJ-MFKMUULPSA-N 1 1 316.239 3.041 20 10 DGCDMO C[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000846067210 631208801 /nfs/dbraw/zinc/20/88/01/631208801.db2.gz PANXFZOVTQQRFM-DQOPKJQZSA-N 1 1 300.446 3.409 20 10 DGCDMO C[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C2(CCC2)CO1 ZINC000846067210 631208802 /nfs/dbraw/zinc/20/88/02/631208802.db2.gz PANXFZOVTQQRFM-DQOPKJQZSA-N 1 1 300.446 3.409 20 10 DGCDMO COc1cccc([C@H](C)[NH2+][C@@H]2COc3cc(F)cc(F)c32)c1O ZINC000846162071 631213012 /nfs/dbraw/zinc/21/30/12/631213012.db2.gz GHBRTNKMEZBPQD-TVQRCGJNSA-N 1 1 321.323 3.463 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1CC1CCCC1)[C@H](O)CO2 ZINC000848505341 631671129 /nfs/dbraw/zinc/67/11/29/631671129.db2.gz IWISAMYOHHWDMJ-CRAIPNDOSA-N 1 1 317.429 3.363 20 10 DGCDMO CN(C)c1ccc(C[N@H+](Cc2cnc(Cl)n2C)C2CC2)cc1 ZINC000848881496 631768961 /nfs/dbraw/zinc/76/89/61/631768961.db2.gz OUCWDLIHEZDZLU-UHFFFAOYSA-N 1 1 318.852 3.304 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](Cc2cnc(Cl)n2C)C2CC2)cc1 ZINC000848881496 631768963 /nfs/dbraw/zinc/76/89/63/631768963.db2.gz OUCWDLIHEZDZLU-UHFFFAOYSA-N 1 1 318.852 3.304 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1O ZINC000848882620 631769419 /nfs/dbraw/zinc/76/94/19/631769419.db2.gz VZLCDWQNYNHVLU-CQSZACIVSA-N 1 1 317.351 3.498 20 10 DGCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(CC)c2O)C1 ZINC000848883468 631770653 /nfs/dbraw/zinc/77/06/53/631770653.db2.gz FQTWJCFFNAKQHH-HNNXBMFYSA-N 1 1 318.461 3.083 20 10 DGCDMO CCc1cccc(C[N@@H+](CC)CC(=O)N2CCCCCC2)c1O ZINC000848910661 631782653 /nfs/dbraw/zinc/78/26/53/631782653.db2.gz MBQPLMPVIUEGNG-UHFFFAOYSA-N 1 1 318.461 3.179 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)OC3(CCCCC3)C2)c1 ZINC000848929303 631792628 /nfs/dbraw/zinc/79/26/28/631792628.db2.gz VOAYPKHNWNUSPB-CQSZACIVSA-N 1 1 305.418 3.324 20 10 DGCDMO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850343900 632119078 /nfs/dbraw/zinc/11/90/78/632119078.db2.gz SZDOIQQNUDFXLW-SNVBAGLBSA-N 1 1 300.805 3.147 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000850405603 632142190 /nfs/dbraw/zinc/14/21/90/632142190.db2.gz WPXRANCJSXATRU-UHFFFAOYSA-N 1 1 323.742 3.215 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)c2nccn2C)c1 ZINC000850409581 632143017 /nfs/dbraw/zinc/14/30/17/632143017.db2.gz BVEKNMQRYVDHMJ-SNVBAGLBSA-N 1 1 324.222 3.047 20 10 DGCDMO C[C@@H](O)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000850421573 632147500 /nfs/dbraw/zinc/14/75/00/632147500.db2.gz YTUDSRGPXOKKBV-QLJPJBMISA-N 1 1 309.768 3.396 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)c2ccccn2)c1 ZINC000850483273 632166331 /nfs/dbraw/zinc/16/63/31/632166331.db2.gz VQRQDSLQUIOJOI-STQMWFEESA-N 1 1 314.385 3.028 20 10 DGCDMO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1cccc(C(F)(F)F)c1O ZINC000850487712 632167633 /nfs/dbraw/zinc/16/76/33/632167633.db2.gz JLANVXBDGOFBPX-ZANVPECISA-N 1 1 303.324 3.223 20 10 DGCDMO CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000850494619 632170750 /nfs/dbraw/zinc/17/07/50/632170750.db2.gz RDLCDGKDFTWRRA-DOMZBBRYSA-N 1 1 321.417 3.035 20 10 DGCDMO C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccc(F)cc1O ZINC000850502017 632173359 /nfs/dbraw/zinc/17/33/59/632173359.db2.gz RGTFWAXVMWIJSB-ZDUSSCGKSA-N 1 1 315.392 3.377 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc(F)cc1O ZINC000850540055 632187371 /nfs/dbraw/zinc/18/73/71/632187371.db2.gz HVWXUHKFVNJQMK-QEORTHHSSA-N 1 1 317.408 3.327 20 10 DGCDMO C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1ccc(F)cc1O ZINC000850573480 632198539 /nfs/dbraw/zinc/19/85/39/632198539.db2.gz MQUJONXAZGUTOW-LXIYXOSZSA-N 1 1 303.377 3.347 20 10 DGCDMO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccccc1 ZINC000850583624 632202400 /nfs/dbraw/zinc/20/24/00/632202400.db2.gz MSGLHRLTGUIBDV-XMZIXOGTSA-N 1 1 307.340 3.443 20 10 DGCDMO COc1ccc(N2CCC[N@H+](C[C@@H](OC)C3CCC3)CC2)cc1 ZINC000851732713 632477994 /nfs/dbraw/zinc/47/79/94/632477994.db2.gz BCTJZNBBAQXLPP-LJQANCHMSA-N 1 1 318.461 3.022 20 10 DGCDMO CC1(C)OC[C@@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)O1 ZINC000851771619 632489429 /nfs/dbraw/zinc/48/94/29/632489429.db2.gz KJGXLNLSNBPEHX-MRXNPFEDSA-N 1 1 305.418 3.288 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000851792101 632495022 /nfs/dbraw/zinc/49/50/22/632495022.db2.gz KTMVVQTVYVHIRJ-DJIMGWMZSA-N 1 1 316.445 3.052 20 10 DGCDMO C[N@H+](Cc1c(O)cccc1Br)C[C@@H]1CCCCO1 ZINC000707147177 660893682 /nfs/dbraw/zinc/89/36/82/660893682.db2.gz VBNSVGQXTCJLAK-NSHDSACASA-N 1 1 314.223 3.156 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](CCCO)C2CC2)c(C(F)(F)F)c1 ZINC000792822324 660986684 /nfs/dbraw/zinc/98/66/84/660986684.db2.gz LZMBTBBEXGRNNT-UHFFFAOYSA-N 1 1 316.367 3.118 20 10 DGCDMO COC[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792824627 660987134 /nfs/dbraw/zinc/98/71/34/660987134.db2.gz OEPAQNBSMWMCJF-GFCCVEGCSA-N 1 1 316.367 3.240 20 10 DGCDMO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[N@H+](C2CCC2)C1 ZINC000795119576 661127786 /nfs/dbraw/zinc/12/77/86/661127786.db2.gz GEIAUQJGAIRJHT-MRXNPFEDSA-N 1 1 301.478 3.059 20 10 DGCDMO COC[C@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000307768695 655654948 /nfs/dbraw/zinc/65/49/48/655654948.db2.gz HTCNUDQREIVWKP-CYBMUJFWSA-N 1 1 314.223 3.156 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H]1CC(F)F)CCCC2 ZINC000795731636 661170374 /nfs/dbraw/zinc/17/03/74/661170374.db2.gz SVESOPIVGHRVNE-OAHLLOKOSA-N 1 1 311.372 3.127 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCOC[C@H]1CC(F)F)CCCC2 ZINC000795731636 661170377 /nfs/dbraw/zinc/17/03/77/661170377.db2.gz SVESOPIVGHRVNE-OAHLLOKOSA-N 1 1 311.372 3.127 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)Cc2cccnc2)c1O ZINC000934236389 655758411 /nfs/dbraw/zinc/75/84/11/655758411.db2.gz OOKASSZCYJIQLZ-NSHDSACASA-N 1 1 318.804 3.364 20 10 DGCDMO CC1=C(C)C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000796018152 661185697 /nfs/dbraw/zinc/18/56/97/661185697.db2.gz OIXZNGNCSRORJA-UHFFFAOYSA-N 1 1 304.409 3.204 20 10 DGCDMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000066080668 655931384 /nfs/dbraw/zinc/93/13/84/655931384.db2.gz GFNSENKXGVXBAU-AWEZNQCLSA-N 1 1 312.413 3.023 20 10 DGCDMO CO[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000179749487 656087437 /nfs/dbraw/zinc/08/74/37/656087437.db2.gz STKGHUWMGOQUKX-ZDUSSCGKSA-N 1 1 314.223 3.074 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ncc(C)c(OC)c2C)c1 ZINC000183783294 656114608 /nfs/dbraw/zinc/11/46/08/656114608.db2.gz UBTPIARKPXWLIB-UHFFFAOYSA-N 1 1 316.401 3.053 20 10 DGCDMO COc1ccc(O)c(CN(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000183783294 656114612 /nfs/dbraw/zinc/11/46/12/656114612.db2.gz UBTPIARKPXWLIB-UHFFFAOYSA-N 1 1 316.401 3.053 20 10 DGCDMO COc1cc(C[N@H+]2CCCO[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000178891848 657097239 /nfs/dbraw/zinc/09/72/39/657097239.db2.gz KIZWFWZPDKKLHF-CYBMUJFWSA-N 1 1 307.434 3.309 20 10 DGCDMO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1[NH3+] ZINC000251847916 657543162 /nfs/dbraw/zinc/54/31/62/657543162.db2.gz RMBLKQAFSIOOPO-TVQRCGJNSA-N 1 1 303.233 3.258 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC[C@H]1[NH3+] ZINC000251847916 657543166 /nfs/dbraw/zinc/54/31/66/657543166.db2.gz RMBLKQAFSIOOPO-TVQRCGJNSA-N 1 1 303.233 3.258 20 10 DGCDMO CCC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)Cc1ccccc1O ZINC000303129820 657666866 /nfs/dbraw/zinc/66/68/66/657666866.db2.gz BSGGWCYJNCWPKT-INIZCTEOSA-N 1 1 320.477 3.497 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C[NH3+] ZINC000163484068 658451599 /nfs/dbraw/zinc/45/15/99/658451599.db2.gz OMKRMGYFWZUHIF-KOLCDFICSA-N 1 1 303.233 3.116 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C[NH3+] ZINC000163484068 658451603 /nfs/dbraw/zinc/45/16/03/658451603.db2.gz OMKRMGYFWZUHIF-KOLCDFICSA-N 1 1 303.233 3.116 20 10 DGCDMO C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc(F)cc1O ZINC000170788794 659238343 /nfs/dbraw/zinc/23/83/43/659238343.db2.gz CEAGYDRWXWTVPX-GFCCVEGCSA-N 1 1 317.360 3.196 20 10 DGCDMO CCc1cc(C[N@H+]2CCO[C@H](COC)C2)c(O)c(C(C)(C)C)c1 ZINC000172920025 659363914 /nfs/dbraw/zinc/36/39/14/659363914.db2.gz QYWFOQHGIUKCGR-INIZCTEOSA-N 1 1 321.461 3.099 20 10 DGCDMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000180024791 659949548 /nfs/dbraw/zinc/94/95/48/659949548.db2.gz CKOVFPBNSALMLV-OAHLLOKOSA-N 1 1 320.433 3.224 20 10 DGCDMO Cc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000180067801 659951734 /nfs/dbraw/zinc/95/17/34/659951734.db2.gz BAYUXPSARSMERA-HNNXBMFYSA-N 1 1 320.433 3.142 20 10 DGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)ccc2O)C12CCC2 ZINC000180749156 659969313 /nfs/dbraw/zinc/96/93/13/659969313.db2.gz FXAXBWWGAZKLHM-IAGOWNOFSA-N 1 1 305.418 3.180 20 10 DGCDMO CC(=O)NCCCCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000929634860 661322937 /nfs/dbraw/zinc/32/29/37/661322937.db2.gz JGMKPTUVSSMEEH-UHFFFAOYSA-N 1 1 318.461 3.443 20 10 DGCDMO CCOC(=O)/C=C\C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000929969320 661354617 /nfs/dbraw/zinc/35/46/17/661354617.db2.gz LWFIEGZYFQOMDJ-YHYXMXQVSA-N 1 1 315.369 3.107 20 10 DGCDMO CCOC(=O)/C=C\C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000929969320 661354619 /nfs/dbraw/zinc/35/46/19/661354619.db2.gz LWFIEGZYFQOMDJ-YHYXMXQVSA-N 1 1 315.369 3.107 20 10 DGCDMO c1cc(C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C2CC2)co1 ZINC000934004185 661672969 /nfs/dbraw/zinc/67/29/69/661672969.db2.gz OEIFIIVXIOCGNV-UHFFFAOYSA-N 1 1 312.413 3.281 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](OC)C3)c2c1 ZINC000076266333 661976294 /nfs/dbraw/zinc/97/62/94/661976294.db2.gz OTTGFRXTDBBSQE-OAHLLOKOSA-N 1 1 301.386 3.165 20 10 DGCDMO CCC[N@H+](Cc1nc([C@@H](C)OCC)no1)Cc1ccccc1O ZINC000076724899 661994903 /nfs/dbraw/zinc/99/49/03/661994903.db2.gz RMGXAWCLOSYCTO-CYBMUJFWSA-N 1 1 319.405 3.285 20 10 DGCDMO CCC[N@@H+](Cc1nc([C@@H](C)OCC)no1)Cc1ccccc1O ZINC000076724899 661994906 /nfs/dbraw/zinc/99/49/06/661994906.db2.gz RMGXAWCLOSYCTO-CYBMUJFWSA-N 1 1 319.405 3.285 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)Cc1cc(Br)ccc1O ZINC000091956425 662325183 /nfs/dbraw/zinc/32/51/83/662325183.db2.gz NLIJAZDYNHPZOV-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1OC ZINC000091974668 662325977 /nfs/dbraw/zinc/32/59/77/662325977.db2.gz XEUIDGAZFSDXBQ-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000092066056 662327333 /nfs/dbraw/zinc/32/73/33/662327333.db2.gz UECOEFAOGXPMQS-XLIONFOSSA-N 1 1 313.489 3.201 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000092066056 662327335 /nfs/dbraw/zinc/32/73/35/662327335.db2.gz UECOEFAOGXPMQS-XLIONFOSSA-N 1 1 313.489 3.201 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3scnc3C)CC2)cc1 ZINC000092380839 662329979 /nfs/dbraw/zinc/32/99/79/662329979.db2.gz QSJYISRNTPFKMZ-UHFFFAOYSA-N 1 1 317.458 3.172 20 10 DGCDMO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000093455411 662355474 /nfs/dbraw/zinc/35/54/74/662355474.db2.gz HSKCCAFIBSZVMA-MRXNPFEDSA-N 1 1 303.789 3.137 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](CCOC)Cc2ccc(C)o2)c1 ZINC000093707273 662359178 /nfs/dbraw/zinc/35/91/78/662359178.db2.gz CYTGHLYIYBPFHU-UHFFFAOYSA-N 1 1 319.401 3.341 20 10 DGCDMO CCN(CC)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000378951309 685146321 /nfs/dbraw/zinc/14/63/21/685146321.db2.gz HTXCXOPWJQOVRI-HKUYNNGSSA-N 1 1 301.478 3.249 20 10 DGCDMO CCN(CC)c1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000378951309 685146325 /nfs/dbraw/zinc/14/63/25/685146325.db2.gz HTXCXOPWJQOVRI-HKUYNNGSSA-N 1 1 301.478 3.249 20 10 DGCDMO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000383936774 685169856 /nfs/dbraw/zinc/16/98/56/685169856.db2.gz CYFVMAOFPWUYRU-PKOBYXMFSA-N 1 1 322.452 3.491 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1O ZINC000385827271 685174289 /nfs/dbraw/zinc/17/42/89/685174289.db2.gz ZFSADMWYKZUIIY-JTQLQIEISA-N 1 1 305.271 3.118 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1O ZINC000385827271 685174294 /nfs/dbraw/zinc/17/42/94/685174294.db2.gz ZFSADMWYKZUIIY-JTQLQIEISA-N 1 1 305.271 3.118 20 10 DGCDMO Cc1cc([O-])c(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1Cl ZINC001579637975 1191983645 /nfs/dbraw/zinc/98/36/45/1191983645.db2.gz LIPXYWIRYSDGOU-UHOFOFEASA-N 1 1 308.853 3.220 20 10 DGCDMO C[C@@H]1CCC[N@@H+]1CCNCc1ccc(N2CCCCC2)cc1 ZINC001620821760 1192174147 /nfs/dbraw/zinc/17/41/47/1192174147.db2.gz IPQAURPXMJDOFI-QGZVFWFLSA-N 1 1 301.478 3.251 20 10 DGCDMO C[C@@H]1CCC[N@H+]1CCNCc1ccc(N2CCCCC2)cc1 ZINC001620821760 1192174148 /nfs/dbraw/zinc/17/41/48/1192174148.db2.gz IPQAURPXMJDOFI-QGZVFWFLSA-N 1 1 301.478 3.251 20 10 DGCDMO CO[C@](C)(C[NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC001620943194 1192638898 /nfs/dbraw/zinc/63/88/98/1192638898.db2.gz MPEUZXLMTQJPRJ-QGZVFWFLSA-N 1 1 307.340 3.322 20 10 DGCDMO [O-]c1c(CN2CC(c3nc4ccccc4[nH]3)C2)ccc(F)c1F ZINC001621122925 1192869707 /nfs/dbraw/zinc/86/97/07/1192869707.db2.gz MGQQDDWXEFZJKL-UHFFFAOYSA-N 1 1 315.323 3.146 20 10 DGCDMO Nc1ccc2c(c1)C[N@H+](Cc1ccc(N3CCCC3)cc1)CCO2 ZINC001332010881 1178336417 /nfs/dbraw/zinc/33/64/17/1178336417.db2.gz DYVQLACVZMOFLP-UHFFFAOYSA-N 1 1 323.440 3.264 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)CCCC(F)(F)F)cc1 ZINC001335501125 1178922014 /nfs/dbraw/zinc/92/20/14/1178922014.db2.gz XPLSJROWNWQLEH-UHFFFAOYSA-N 1 1 304.356 3.406 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCCC[C@@H]1O ZINC001341944717 1179083348 /nfs/dbraw/zinc/08/33/48/1179083348.db2.gz KPYFMDXQPHOADB-MJGOQNOKSA-N 1 1 302.462 3.270 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C2(CCC2)CO1 ZINC001346165582 1179664828 /nfs/dbraw/zinc/66/48/28/1179664828.db2.gz KCVZTWGYUXEGHW-MRXNPFEDSA-N 1 1 300.446 3.430 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](O)Cc1ccccc1 ZINC001347709745 1179816729 /nfs/dbraw/zinc/81/67/29/1179816729.db2.gz QDXAACOJERZVKE-NRFANRHFSA-N 1 1 324.468 3.322 20 10 DGCDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC001353197878 1180491751 /nfs/dbraw/zinc/49/17/51/1180491751.db2.gz ATUPIIKJMKDRID-AWEZNQCLSA-N 1 1 303.324 3.162 20 10 DGCDMO COC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CCCCC1 ZINC001460375875 1182683063 /nfs/dbraw/zinc/68/30/63/1182683063.db2.gz VEGJYPAIQUHUST-UHFFFAOYSA-N 1 1 304.434 3.060 20 10 DGCDMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC001461020486 1182757378 /nfs/dbraw/zinc/75/73/78/1182757378.db2.gz BUMDKWPNLBSOMK-JTQLQIEISA-N 1 1 320.339 3.480 20 10 DGCDMO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ccc(N(C)C)c(F)c1 ZINC001461101587 1182767519 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COC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC001462520791 1182963677 /nfs/dbraw/zinc/96/36/77/1182963677.db2.gz SZFSEQOBMGLUOG-OAHLLOKOSA-N 1 1 315.772 3.006 20 10 DGCDMO C[C@@]12CSC[C@@H]1C[N@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC001462638902 1182978661 /nfs/dbraw/zinc/97/86/61/1182978661.db2.gz QNSCUDLOZDSMJX-IINYFYTJSA-N 1 1 301.814 3.370 20 10 DGCDMO C[C@@]12CSC[C@@H]1C[N@@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC001462638902 1182978666 /nfs/dbraw/zinc/97/86/66/1182978666.db2.gz QNSCUDLOZDSMJX-IINYFYTJSA-N 1 1 301.814 3.370 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCO[C@H](C(C)(C)C)CC2)c(O)c1 ZINC001462670070 1182983211 /nfs/dbraw/zinc/98/32/11/1182983211.db2.gz VGOQFCLRSPZJTI-KRWDZBQOSA-N 1 1 307.434 3.346 20 10 DGCDMO COC[C@@H](C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(C)C ZINC001473262354 1183737107 /nfs/dbraw/zinc/73/71/07/1183737107.db2.gz WSWTUWVQTAUJFO-QZTJIDSGSA-N 1 1 321.461 3.292 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)ccc1N(C)C ZINC001473737491 1183795259 /nfs/dbraw/zinc/79/52/59/1183795259.db2.gz KRYFRZGGVIJHGU-NEWSRXKRSA-N 1 1 302.462 3.186 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc2[nH]c(=O)oc2c1 ZINC001474227337 1183885376 /nfs/dbraw/zinc/88/53/76/1183885376.db2.gz USPDXRZLDQPAFS-MRVPVSSYSA-N 1 1 320.295 3.368 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c(O)c1 ZINC001474326051 1183905123 /nfs/dbraw/zinc/90/51/23/1183905123.db2.gz SZKCYMCESWTWPZ-SFHVURJKSA-N 1 1 315.413 3.265 20 10 DGCDMO CCC[N@H+](CCN(CC)CC)Cc1c(C)cc(OC)cc1O ZINC001474425053 1183919911 /nfs/dbraw/zinc/91/99/11/1183919911.db2.gz XAXUQBJEMLBWQY-UHFFFAOYSA-N 1 1 308.466 3.263 20 10 DGCDMO CCC[N@@H+](CCN(CC)CC)Cc1c(C)cc(OC)cc1O ZINC001474425053 1183919916 /nfs/dbraw/zinc/91/99/16/1183919916.db2.gz XAXUQBJEMLBWQY-UHFFFAOYSA-N 1 1 308.466 3.263 20 10 DGCDMO CCOC(=O)C[C@@H]1CCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001474467416 1183926815 /nfs/dbraw/zinc/92/68/15/1183926815.db2.gz XTRLUXUDUUNZMC-YEODSOHDSA-N 1 1 316.445 3.183 20 10 DGCDMO CCOC(=O)C[C@@H]1CCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001474467413 1183926898 /nfs/dbraw/zinc/92/68/98/1183926898.db2.gz XTRLUXUDUUNZMC-FZMUQLTDSA-N 1 1 316.445 3.183 20 10 DGCDMO CC[C@H](C)[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)OC ZINC001474482315 1183929510 /nfs/dbraw/zinc/92/95/10/1183929510.db2.gz XHARXIAQCBAEAL-KIUWMYQTSA-N 1 1 304.434 3.039 20 10 DGCDMO CC[C@H](C)[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)OC ZINC001474482315 1183929515 /nfs/dbraw/zinc/92/95/15/1183929515.db2.gz XHARXIAQCBAEAL-KIUWMYQTSA-N 1 1 304.434 3.039 20 10 DGCDMO CC[C@@H](C)[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)OC ZINC001474482317 1183929664 /nfs/dbraw/zinc/92/96/64/1183929664.db2.gz XHARXIAQCBAEAL-MVGZEHJDSA-N 1 1 304.434 3.039 20 10 DGCDMO CC[C@@H](C)[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)OC ZINC001474482317 1183929669 /nfs/dbraw/zinc/92/96/69/1183929669.db2.gz XHARXIAQCBAEAL-MVGZEHJDSA-N 1 1 304.434 3.039 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(O)c1 ZINC001474631086 1183952341 /nfs/dbraw/zinc/95/23/41/1183952341.db2.gz WTJPEHKDOUNBID-KXBFYZLASA-N 1 1 319.445 3.490 20 10 DGCDMO COc1cc(C)c(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c(O)c1 ZINC001474706173 1183965436 /nfs/dbraw/zinc/96/54/36/1183965436.db2.gz YULXKXUENIWUIJ-YJBOKZPZSA-N 1 1 317.360 3.271 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)CCCC(C)(F)F)cc1 ZINC001559966480 1189263259 /nfs/dbraw/zinc/26/32/59/1189263259.db2.gz BHEDPEKQVQUOBJ-UHFFFAOYSA-N 1 1 300.393 3.499 20 10 DGCDMO CC[C@H](C)[C@H](C[N@H+]1CCCN(c2ccc(OC)cc2)CC1)OC ZINC001560648967 1189355378 /nfs/dbraw/zinc/35/53/78/1189355378.db2.gz ZIXROKODJZAUCN-LPHOPBHVSA-N 1 1 320.477 3.268 20 10 DGCDMO Cc1cc(O)c(C[N@H+](C)Cc2cccc(C(N)=O)c2)c(Cl)c1 ZINC001560682326 1189360075 /nfs/dbraw/zinc/36/00/75/1189360075.db2.gz AFMNRLXBUOHGFF-UHFFFAOYSA-N 1 1 318.804 3.085 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2cccc(C(N)=O)c2)c(Cl)c1 ZINC001560682326 1189360078 /nfs/dbraw/zinc/36/00/78/1189360078.db2.gz AFMNRLXBUOHGFF-UHFFFAOYSA-N 1 1 318.804 3.085 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c(O)c1 ZINC001560697041 1189362393 /nfs/dbraw/zinc/36/23/93/1189362393.db2.gz KWQGQTBLLKKOPK-CQSZACIVSA-N 1 1 315.413 3.478 20 10 DGCDMO C[C@H]([NH2+]Cc1cccc(F)c1[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001560749250 1189374610 /nfs/dbraw/zinc/37/46/10/1189374610.db2.gz DHFXHZRXYPNANJ-ZFWWWQNUSA-N 1 1 306.425 3.274 20 10 DGCDMO CC[C@]1(CO)CCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001560769221 1189378307 /nfs/dbraw/zinc/37/83/07/1189378307.db2.gz VAZYGTXWTJNJNL-LJQANCHMSA-N 1 1 321.461 3.435 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC001560953790 1189410637 /nfs/dbraw/zinc/41/06/37/1189410637.db2.gz WQOHDXCBAJKFRC-MRXNPFEDSA-N 1 1 311.372 3.499 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCOc1ccc(Cl)cc1 ZINC001620698035 1193792180 /nfs/dbraw/zinc/79/21/80/1193792180.db2.gz HNSSJKUEOKVHEX-UHFFFAOYSA-N 1 1 313.731 3.492 20 10 DGCDMO CCc1ccc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC001621097687 1193801283 /nfs/dbraw/zinc/80/12/83/1193801283.db2.gz LXFPYZCOSNDCTP-LJQANCHMSA-N 1 1 315.461 3.301 20 10 DGCDMO CC(=O)NC1CCC([N@H+](C)Cc2cc(C(C)C)ccc2O)CC1 ZINC001621245189 1193821663 /nfs/dbraw/zinc/82/16/63/1193821663.db2.gz IONRXMXBNGSJAH-UHFFFAOYSA-N 1 1 318.461 3.395 20 10 DGCDMO COC(=O)c1c(C[NH+]2CC3(CCC3)C2)c2cc(F)ccc2n1C ZINC001621381155 1193835644 /nfs/dbraw/zinc/83/56/44/1193835644.db2.gz UKLCHKYBCNNJLZ-UHFFFAOYSA-N 1 1 316.376 3.090 20 10 DGCDMO COC(=O)C1([N@H+](Cc2ccc(N(C)C)c(C)c2)C2CC2)CCC1 ZINC001643534065 1195032632 /nfs/dbraw/zinc/03/26/32/1195032632.db2.gz DIPHGUZFNOVBMN-UHFFFAOYSA-N 1 1 316.445 3.121 20 10 DGCDMO COC(=O)C1([N@@H+](Cc2ccc(N(C)C)c(C)c2)C2CC2)CCC1 ZINC001643534065 1195032636 /nfs/dbraw/zinc/03/26/36/1195032636.db2.gz DIPHGUZFNOVBMN-UHFFFAOYSA-N 1 1 316.445 3.121 20 10 DGCDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001644345432 1195101774 /nfs/dbraw/zinc/10/17/74/1195101774.db2.gz BEKJIOXJVWMOSY-INIZCTEOSA-N 1 1 318.461 3.226 20 10 DGCDMO CC[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)C(=O)OC(C)(C)C ZINC001651591835 1195484156 /nfs/dbraw/zinc/48/41/56/1195484156.db2.gz GEECAVKDJMODBG-SNVBAGLBSA-N 1 1 315.360 3.128 20 10 DGCDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2O)C12CCC2 ZINC001651894753 1195521275 /nfs/dbraw/zinc/52/12/75/1195521275.db2.gz UGUAOANDSAFFPA-HZPDHXFCSA-N 1 1 311.372 3.450 20 10 DGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2O)C12CCC2 ZINC001651894753 1195521280 /nfs/dbraw/zinc/52/12/80/1195521280.db2.gz UGUAOANDSAFFPA-HZPDHXFCSA-N 1 1 311.372 3.450 20 10 DGCDMO COC(=O)CC[N@H+](Cc1ccc(N(C)C)cc1C)CC(C)C ZINC001651979165 1195531540 /nfs/dbraw/zinc/53/15/40/1195531540.db2.gz BPQQBPHNHOJNNE-UHFFFAOYSA-N 1 1 306.450 3.082 20 10 DGCDMO [NH3+]CCCN(Cc1ccc(F)c(F)c1O)c1cccc(F)c1 ZINC001652001359 1195534337 /nfs/dbraw/zinc/53/43/37/1195534337.db2.gz RJKBYXJUUHMIFB-UHFFFAOYSA-N 1 1 310.319 3.165 20 10 DGCDMO COC(=O)[C@H]1CCCCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001652159120 1195555209 /nfs/dbraw/zinc/55/52/09/1195555209.db2.gz UYTMAIJMQDEZKT-MRXNPFEDSA-N 1 1 305.418 3.433 20 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C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccnc2)no1)c1ccccc1O ZINC001655349801 1195906950 /nfs/dbraw/zinc/90/69/50/1195906950.db2.gz TUGPMXJSURWFLU-NEPJUHHUSA-N 1 1 310.357 3.249 20 10 DGCDMO CN(C)c1ccc(/C=C\CNCC[NH+]2CCCCCC2)cc1 ZINC001656036172 1195990517 /nfs/dbraw/zinc/99/05/17/1195990517.db2.gz VFUUHOWDSJWQPO-FPLPWBNLSA-N 1 1 301.478 3.231 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CCCC1 ZINC001656244663 1196023458 /nfs/dbraw/zinc/02/34/58/1196023458.db2.gz XKMJRXWPEPDSCN-HXUWFJFHSA-N 1 1 315.505 3.497 20 10 DGCDMO Cn1c[nH+]c2cc(NCc3ccccc3N3CCOCC3)ccc21 ZINC001656764959 1196069482 /nfs/dbraw/zinc/06/94/82/1196069482.db2.gz XWWCKMWKEBIHOO-UHFFFAOYSA-N 1 1 322.412 3.022 20 10 DGCDMO COC(=O)C1([N@@H+](C)Cc2ccc(Cl)cc2O)CCCCC1 ZINC001657208756 1196118587 /nfs/dbraw/zinc/11/85/87/1196118587.db2.gz HATJDDSBKZCKBC-UHFFFAOYSA-N 1 1 311.809 3.353 20 10 DGCDMO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001657481162 1196148214 /nfs/dbraw/zinc/14/82/14/1196148214.db2.gz 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CN1CCCc2cc(C[N@@H+]3CCO[C@@H](c4ccncc4)C3)ccc21 ZINC001138356078 1091150837 /nfs/dbraw/zinc/15/08/37/1091150837.db2.gz GWEAFVMWPXSXKQ-HXUWFJFHSA-N 1 1 323.440 3.038 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CCO[C@@H](c4ccncc4)C3)ccc21 ZINC001138356078 1091150842 /nfs/dbraw/zinc/15/08/42/1091150842.db2.gz GWEAFVMWPXSXKQ-HXUWFJFHSA-N 1 1 323.440 3.038 20 10 DGCDMO COc1cc2c(cn1)CC[N@H+](Cc1ccc3c(c1)CCCN3C)C2 ZINC001138359932 1091151542 /nfs/dbraw/zinc/15/15/42/1091151542.db2.gz LRMFWQRMKSXRTR-UHFFFAOYSA-N 1 1 323.440 3.031 20 10 DGCDMO COc1cc2c(cn1)CC[N@@H+](Cc1ccc3c(c1)CCCN3C)C2 ZINC001138359932 1091151545 /nfs/dbraw/zinc/15/15/45/1091151545.db2.gz LRMFWQRMKSXRTR-UHFFFAOYSA-N 1 1 323.440 3.031 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CC[C@H](Oc4ccccn4)C3)ccc21 ZINC001138358987 1091152138 /nfs/dbraw/zinc/15/21/38/1091152138.db2.gz GFQDLNFUTZDFED-SFHVURJKSA-N 1 1 323.440 3.117 20 10 DGCDMO CCN(CC)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001138388525 1091163302 /nfs/dbraw/zinc/16/33/02/1091163302.db2.gz 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CCCCOC(=O)[C@H]1CC[N@@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238067258 1100348513 /nfs/dbraw/zinc/34/85/13/1100348513.db2.gz QTBDWABCBMCGIA-ZDUSSCGKSA-N 1 1 309.381 3.005 20 10 DGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1O ZINC001238063505 1100348792 /nfs/dbraw/zinc/34/87/92/1100348792.db2.gz XNNLOSKTBOAWBC-QGZVFWFLSA-N 1 1 301.361 3.493 20 10 DGCDMO CCc1noc([C@@H]2CCC[N@@H+](Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238070945 1100351292 /nfs/dbraw/zinc/35/12/92/1100351292.db2.gz QIWBOMBCUYGHIB-GFCCVEGCSA-N 1 1 319.380 3.165 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(OC)c(O)c1F ZINC001238362002 1100425031 /nfs/dbraw/zinc/42/50/31/1100425031.db2.gz AMDWTIYOYBVMRM-UHFFFAOYSA-N 1 1 305.349 3.268 20 10 DGCDMO Cc1cc(N(C)C)[nH+]cc1-c1ccn(Cc2ccccc2)c(=O)c1 ZINC001241250250 1101321098 /nfs/dbraw/zinc/32/10/98/1101321098.db2.gz JVOCLNOOTOVGFB-UHFFFAOYSA-N 1 1 319.408 3.333 20 10 DGCDMO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001197326685 1101547586 /nfs/dbraw/zinc/54/75/86/1101547586.db2.gz 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/nfs/dbraw/zinc/96/24/81/1104962481.db2.gz FGPCASFXGQDCSA-OXJNMPFZSA-N 1 1 309.457 3.042 20 10 DGCDMO CN(C)c1ccc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)c2ccccc21 ZINC001275937403 1104962483 /nfs/dbraw/zinc/96/24/83/1104962483.db2.gz FGPCASFXGQDCSA-OXJNMPFZSA-N 1 1 309.457 3.042 20 10 DGCDMO CN(C)c1ccc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c2ccccc21 ZINC001275937403 1104962492 /nfs/dbraw/zinc/96/24/92/1104962492.db2.gz FGPCASFXGQDCSA-OXJNMPFZSA-N 1 1 309.457 3.042 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(CN2CC3(C2)CC[N@H+](C)C3)cc1 ZINC001276056160 1105006494 /nfs/dbraw/zinc/00/64/94/1105006494.db2.gz VROXGWBIZNTSCA-UHFFFAOYSA-N 1 1 309.457 3.232 20 10 DGCDMO C[N@H+]1CCC2(CN(Cc3cccc(-c4ccccc4)c3O)C2)C1 ZINC001276140011 1105029250 /nfs/dbraw/zinc/02/92/50/1105029250.db2.gz MXSHHPXFFPHGRE-UHFFFAOYSA-N 1 1 308.425 3.197 20 10 DGCDMO CN1CCC2(C[NH+](Cc3cccc(-c4ccccc4)c3O)C2)C1 ZINC001276140011 1105029256 /nfs/dbraw/zinc/02/92/56/1105029256.db2.gz MXSHHPXFFPHGRE-UHFFFAOYSA-N 1 1 308.425 3.197 20 10 DGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)[C@H]1CO ZINC001249223611 1105249814 /nfs/dbraw/zinc/24/98/14/1105249814.db2.gz JRGGNYVHBDPGNV-CJNGLKHVSA-N 1 1 317.429 3.169 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C[C@H](C)N1C ZINC001249252689 1105257215 /nfs/dbraw/zinc/25/72/15/1105257215.db2.gz RAYAYBVGDHEQCS-OKILXGFUSA-N 1 1 316.445 3.101 20 10 DGCDMO C[C@@H]1CN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C[C@H](C)[N@H+]1C ZINC001249252689 1105257217 /nfs/dbraw/zinc/25/72/17/1105257217.db2.gz RAYAYBVGDHEQCS-OKILXGFUSA-N 1 1 316.445 3.101 20 10 DGCDMO C[C@@H]1CN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C[C@H](C)[N@@H+]1C ZINC001249252689 1105257221 /nfs/dbraw/zinc/25/72/21/1105257221.db2.gz RAYAYBVGDHEQCS-OKILXGFUSA-N 1 1 316.445 3.101 20 10 DGCDMO CCOC(=O)CCCOc1ccc(C[N@@H+](C)[C@H](C)CC)c(O)c1 ZINC001249731030 1105368612 /nfs/dbraw/zinc/36/86/12/1105368612.db2.gz PCNGYWRGSKIKHV-CQSZACIVSA-N 1 1 323.433 3.345 20 10 DGCDMO Cc1cc(C[N@@H+](C)Cc2ccccn2)c(O)cc1Br ZINC001250117328 1105445735 /nfs/dbraw/zinc/44/57/35/1105445735.db2.gz NBPJQAFXVGTJLL-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO Cc1cc(C[N@H+](C)C2CCOCC2)c(O)cc1Br ZINC001250120769 1105446580 /nfs/dbraw/zinc/44/65/80/1105446580.db2.gz PVRIOHJVGLKSFW-UHFFFAOYSA-N 1 1 314.223 3.074 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cc(C)c(OC)nc1OC ZINC001250343328 1105503686 /nfs/dbraw/zinc/50/36/86/1105503686.db2.gz UNUMQUFEYOXMDF-UHFFFAOYSA-N 1 1 316.401 3.135 20 10 DGCDMO Oc1c(Cl)cccc1CN1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001276379943 1105535183 /nfs/dbraw/zinc/53/51/83/1105535183.db2.gz CFILEMSHEUOTJW-UHFFFAOYSA-N 1 1 306.837 3.248 20 10 DGCDMO Oc1c(Cl)cccc1CN1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001276379943 1105535189 /nfs/dbraw/zinc/53/51/89/1105535189.db2.gz CFILEMSHEUOTJW-UHFFFAOYSA-N 1 1 306.837 3.248 20 10 DGCDMO CN1CCC[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001254524816 1106093321 /nfs/dbraw/zinc/09/33/21/1106093321.db2.gz ZWFQDNOHEQDEIG-SFHVURJKSA-N 1 1 301.478 3.203 20 10 DGCDMO CN1CCC[C@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001254524816 1106093328 /nfs/dbraw/zinc/09/33/28/1106093328.db2.gz ZWFQDNOHEQDEIG-SFHVURJKSA-N 1 1 301.478 3.203 20 10 DGCDMO CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001255372790 1106234542 /nfs/dbraw/zinc/23/45/42/1106234542.db2.gz ANTVHMKXSOIFKF-FUHWJXTLSA-N 1 1 318.461 3.306 20 10 DGCDMO C[C@H](CC(F)(F)F)[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001255639379 1106282108 /nfs/dbraw/zinc/28/21/08/1106282108.db2.gz KYHQWRCPLYNLSZ-GFCCVEGCSA-N 1 1 316.367 3.287 20 10 DGCDMO CN(C)c1ccc(CN[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256905927 1106507935 /nfs/dbraw/zinc/50/79/35/1106507935.db2.gz VZKRCSKPTWWFBM-QGZVFWFLSA-N 1 1 301.478 3.249 20 10 DGCDMO CN(C)c1ccc(CN[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256905927 1106507939 /nfs/dbraw/zinc/50/79/39/1106507939.db2.gz VZKRCSKPTWWFBM-QGZVFWFLSA-N 1 1 301.478 3.249 20 10 DGCDMO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(N(C)CC)cc1 ZINC001321007470 1107219216 /nfs/dbraw/zinc/21/92/16/1107219216.db2.gz HVMXNAAWVMQQIS-KRWDZBQOSA-N 1 1 304.434 3.060 20 10 DGCDMO CC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)c1cc(Br)ccc1[O-] ZINC001261424272 1107427485 /nfs/dbraw/zinc/42/74/85/1107427485.db2.gz QIVAIWKJANNZLA-MFKMUULPSA-N 1 1 315.255 3.193 20 10 DGCDMO Nc1ccc2c(c1)OCC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001261903912 1107558711 /nfs/dbraw/zinc/55/87/11/1107558711.db2.gz NZPGYMLGYCLYEA-UHFFFAOYSA-N 1 1 323.440 3.264 20 10 DGCDMO C[NH+](Cc1ccc(N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382756082 1108162686 /nfs/dbraw/zinc/16/26/86/1108162686.db2.gz INFSZWOYJGVNKL-IBGZPJMESA-N 1 1 309.457 3.223 20 10 DGCDMO C[NH+](Cc1ccc(N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382756082 1108162694 /nfs/dbraw/zinc/16/26/94/1108162694.db2.gz INFSZWOYJGVNKL-IBGZPJMESA-N 1 1 309.457 3.223 20 10 DGCDMO C[N@@H+](Cc1ccc(N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382756082 1108162700 /nfs/dbraw/zinc/16/27/00/1108162700.db2.gz INFSZWOYJGVNKL-IBGZPJMESA-N 1 1 309.457 3.223 20 10 DGCDMO C[N@H+](Cc1ccc(N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382756082 1108162706 /nfs/dbraw/zinc/16/27/06/1108162706.db2.gz INFSZWOYJGVNKL-IBGZPJMESA-N 1 1 309.457 3.223 20 10 DGCDMO CN(Cc1ccc(N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382756082 1108162711 /nfs/dbraw/zinc/16/27/11/1108162711.db2.gz INFSZWOYJGVNKL-IBGZPJMESA-N 1 1 309.457 3.223 20 10 DGCDMO CN(Cc1ccc(N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382756082 1108162719 /nfs/dbraw/zinc/16/27/19/1108162719.db2.gz INFSZWOYJGVNKL-IBGZPJMESA-N 1 1 309.457 3.223 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC001324747410 1108451647 /nfs/dbraw/zinc/45/16/47/1108451647.db2.gz WCMMHDXFOXBTGE-JJTKIYQPSA-N 1 1 302.462 3.126 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CCC3(CCC3)O2)cc1 ZINC001307898104 1111353213 /nfs/dbraw/zinc/35/32/13/1111353213.db2.gz YGIYPVOTLOMOAC-GOSISDBHSA-N 1 1 318.461 3.165 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)cc1 ZINC001307968880 1111360761 /nfs/dbraw/zinc/36/07/61/1111360761.db2.gz LTXPTDNAHCCFHZ-HXUWFJFHSA-N 1 1 309.457 3.463 20 10 DGCDMO CSCC(C)(C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC001308134687 1111382662 /nfs/dbraw/zinc/38/26/62/1111382662.db2.gz RAALVCKIJFHCKO-UHFFFAOYSA-N 1 1 301.839 3.479 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC001308145961 1111384412 /nfs/dbraw/zinc/38/44/12/1111384412.db2.gz RXTKQKOSMZJYAF-ROUUACIJSA-N 1 1 302.462 3.391 20 10 DGCDMO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc2cncn2c1 ZINC001308430529 1111428113 /nfs/dbraw/zinc/42/81/13/1111428113.db2.gz GBKGZRXFBYMYQH-UHFFFAOYSA-N 1 1 304.397 3.424 20 10 DGCDMO C[C@H](C[NH+]1CCC(C)CC1)NCc1ccc(N2CCCC2)cc1 ZINC001308464218 1111431374 /nfs/dbraw/zinc/43/13/74/1111431374.db2.gz QTBUCVKHDBVUKI-GOSISDBHSA-N 1 1 315.505 3.497 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CC34CCCCC4)cc2)CC1 ZINC001308477396 1111432595 /nfs/dbraw/zinc/43/25/95/1111432595.db2.gz FOENBROVWOIWFT-IBGZPJMESA-N 1 1 313.489 3.251 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@H]3C[C@@H]4CC[C@@H](C4)C3)cc2)CC1 ZINC001308504062 1111435484 /nfs/dbraw/zinc/43/54/84/1111435484.db2.gz YOQAPVHJNVHORC-BWTSREIZSA-N 1 1 313.489 3.107 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)C[C@@H](C)c2nccs2)c(O)c1 ZINC001308636099 1111454517 /nfs/dbraw/zinc/45/45/17/1111454517.db2.gz YKTVJWXYKTXBIC-GFCCVEGCSA-N 1 1 306.431 3.401 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)OC)C2)c1O ZINC001308675524 1111458884 /nfs/dbraw/zinc/45/88/84/1111458884.db2.gz DCVWFZSUPGUNHC-MRXNPFEDSA-N 1 1 319.445 3.366 20 10 DGCDMO CCCC[N@@H+](CCCO)Cc1cc(F)c(N(C)C)cc1F ZINC001308745208 1111469302 /nfs/dbraw/zinc/46/93/02/1111469302.db2.gz RYYLJHRIEDLVBR-UHFFFAOYSA-N 1 1 300.393 3.015 20 10 DGCDMO CCc1cccc(C[N@H+]2CCCC[C@H]2COC(=O)N(C)C)c1O ZINC001308753280 1111469766 /nfs/dbraw/zinc/46/97/66/1111469766.db2.gz NPVCQPQWJLPTKT-INIZCTEOSA-N 1 1 320.433 3.007 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCN(C3CC3)C[C@@H](C)C2)c1 ZINC001308792423 1111475555 /nfs/dbraw/zinc/47/55/55/1111475555.db2.gz JLGWXGBGSMLZKY-HNNXBMFYSA-N 1 1 302.462 3.432 20 10 DGCDMO CC(C)c1ccc(O)c(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC001308792423 1111475557 /nfs/dbraw/zinc/47/55/57/1111475557.db2.gz JLGWXGBGSMLZKY-HNNXBMFYSA-N 1 1 302.462 3.432 20 10 DGCDMO CC(C)c1ccc(O)c(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)c1 ZINC001308792423 1111475560 /nfs/dbraw/zinc/47/55/60/1111475560.db2.gz JLGWXGBGSMLZKY-HNNXBMFYSA-N 1 1 302.462 3.432 20 10 DGCDMO COCC(C)(C)N1CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001308828815 1111481102 /nfs/dbraw/zinc/48/11/02/1111481102.db2.gz YTYIHNXHDOLTCY-UHFFFAOYSA-N 1 1 320.477 3.058 20 10 DGCDMO Cc1ccc(C[N@@H+]2CCN(C)C[C@@H]2Cc2ccccc2)c(O)c1 ZINC001308850021 1111484146 /nfs/dbraw/zinc/48/41/46/1111484146.db2.gz LCABTEXREUYVTK-IBGZPJMESA-N 1 1 310.441 3.059 20 10 DGCDMO CCOc1cccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c1O ZINC000092729056 185336704 /nfs/dbraw/zinc/33/67/04/185336704.db2.gz MCBWGNWFDCXFMX-AWEZNQCLSA-N 1 1 301.390 3.241 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c1O ZINC000092729056 185336705 /nfs/dbraw/zinc/33/67/05/185336705.db2.gz MCBWGNWFDCXFMX-AWEZNQCLSA-N 1 1 301.390 3.241 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179560342 432062845 /nfs/dbraw/zinc/06/28/45/432062845.db2.gz JSPHXBLQRHJAEJ-UHFFFAOYSA-N 1 1 320.433 3.224 20 10 DGCDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccccc1O ZINC000179585161 432064018 /nfs/dbraw/zinc/06/40/18/432064018.db2.gz PISXLGGYPIOIFG-YEJXKQKISA-N 1 1 303.427 3.323 20 10 DGCDMO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1OC ZINC000170788877 432081514 /nfs/dbraw/zinc/08/15/14/432081514.db2.gz MZYZPGLCUDVERN-NSHDSACASA-N 1 1 305.349 3.399 20 10 DGCDMO COc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2O)cc1OC ZINC000170788737 432081845 /nfs/dbraw/zinc/08/18/45/432081845.db2.gz ZHGROXIAZHGACU-GFCCVEGCSA-N 1 1 319.376 3.442 20 10 DGCDMO CCOc1cc(C[N@@H+](C)Cc2ccccc2O)ccc1OC ZINC000091956746 193132220 /nfs/dbraw/zinc/13/22/20/193132220.db2.gz PJWROGJUTQXSRQ-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(OC)c2O)C12CCC2 ZINC000092040981 193145492 /nfs/dbraw/zinc/14/54/92/193145492.db2.gz UEIISLANRJOOAC-HOTGVXAUSA-N 1 1 305.418 3.180 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c1 ZINC000092069125 193152040 /nfs/dbraw/zinc/15/20/40/193152040.db2.gz XNPMVJQGUZPPLA-UHFFFAOYSA-N 1 1 313.323 3.085 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000092066889 193152554 /nfs/dbraw/zinc/15/25/54/193152554.db2.gz IHJVOQNQAQSWPK-CRAIPNDOSA-N 1 1 300.446 3.149 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000092066889 193152556 /nfs/dbraw/zinc/15/25/56/193152556.db2.gz IHJVOQNQAQSWPK-CRAIPNDOSA-N 1 1 300.446 3.149 20 10 DGCDMO CCCN1CCC([N@H+](C)Cc2cccc(OCC)c2O)CC1 ZINC000092165523 193169973 /nfs/dbraw/zinc/16/99/73/193169973.db2.gz FTYIJDPIIWSGQX-UHFFFAOYSA-N 1 1 306.450 3.097 20 10 DGCDMO CCCN1CCC([N@@H+](C)Cc2cccc(OCC)c2O)CC1 ZINC000092165523 193169975 /nfs/dbraw/zinc/16/99/75/193169975.db2.gz FTYIJDPIIWSGQX-UHFFFAOYSA-N 1 1 306.450 3.097 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000092975801 193191550 /nfs/dbraw/zinc/19/15/50/193191550.db2.gz BCDMEBMZLIKTSF-SFHVURJKSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000092975801 193191552 /nfs/dbraw/zinc/19/15/52/193191552.db2.gz BCDMEBMZLIKTSF-SFHVURJKSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1cccnc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000093193165 193213180 /nfs/dbraw/zinc/21/31/80/193213180.db2.gz OEFXRBODIFSOPD-KRWDZBQOSA-N 1 1 312.413 3.277 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(N2CCCCC2)cc1 ZINC000268824461 432142822 /nfs/dbraw/zinc/14/28/22/432142822.db2.gz AWCBTEOUTUQMLL-CABCVRRESA-N 1 1 313.449 3.217 20 10 DGCDMO COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc1[N+](=O)[O-] ZINC000273621335 130144955 /nfs/dbraw/zinc/14/49/55/130144955.db2.gz ZBZZFGVZSKJVCA-SNVBAGLBSA-N 1 1 320.320 3.299 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000274507248 130241648 /nfs/dbraw/zinc/24/16/48/130241648.db2.gz UANMSJGMFVQYJJ-UHFFFAOYSA-N 1 1 313.850 3.144 20 10 DGCDMO CC[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(F)cc1O ZINC000285524857 131177503 /nfs/dbraw/zinc/17/75/03/131177503.db2.gz BHIWLCYARCEWNN-INWMFGNUSA-N 1 1 322.424 3.219 20 10 DGCDMO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1O ZINC000289356177 131378027 /nfs/dbraw/zinc/37/80/27/131378027.db2.gz JUWBVCLCQYYRDD-OAHLLOKOSA-N 1 1 301.390 3.241 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1O ZINC000289356177 131378029 /nfs/dbraw/zinc/37/80/29/131378029.db2.gz JUWBVCLCQYYRDD-OAHLLOKOSA-N 1 1 301.390 3.241 20 10 DGCDMO OC[C@@]1(F)CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000289379521 131381025 /nfs/dbraw/zinc/38/10/25/131381025.db2.gz BRHKQNUOSUMIES-LJQANCHMSA-N 1 1 315.388 3.356 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000298720578 132074870 /nfs/dbraw/zinc/07/48/70/132074870.db2.gz OKUDKEFWRWVMGD-UHFFFAOYSA-N 1 1 323.440 3.016 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCC(F)(F)F)C[C@@H]1CCCO1 ZINC000072952798 400419217 /nfs/dbraw/zinc/41/92/17/400419217.db2.gz 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/nfs/dbraw/zinc/26/69/23/431266923.db2.gz VHFHHIVDCDEVJA-MRXNPFEDSA-N 1 1 316.401 3.178 20 10 DGCDMO Cc1cccc(NCc2ccc(N3CCC(CO)CC3)cc2)[nH+]1 ZINC000114184840 431373909 /nfs/dbraw/zinc/37/39/09/431373909.db2.gz KIUJVCOGVRWQQH-UHFFFAOYSA-N 1 1 311.429 3.211 20 10 DGCDMO COc1ccc(N2CC[NH+]([C@H](C)c3ccccn3)CC2)cc1F ZINC000122097525 431813140 /nfs/dbraw/zinc/81/31/40/431813140.db2.gz COGABNPFCYOCKC-CQSZACIVSA-N 1 1 315.392 3.113 20 10 DGCDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000093863971 431918905 /nfs/dbraw/zinc/91/89/05/431918905.db2.gz GZTPESCRXRKYMU-CQSZACIVSA-N 1 1 305.809 3.289 20 10 DGCDMO Cc1cccc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000183381155 432287985 /nfs/dbraw/zinc/28/79/85/432287985.db2.gz RQPHAEZRQQGDLV-OAHLLOKOSA-N 1 1 322.412 3.474 20 10 DGCDMO CCOc1cccc(C[N@H+](C)C2CCN(C(C)C)CC2)c1O ZINC000271028153 432319194 /nfs/dbraw/zinc/31/91/94/432319194.db2.gz FMCRLOQKBWSTAM-UHFFFAOYSA-N 1 1 306.450 3.096 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)C2CCN(C(C)C)CC2)c1O ZINC000271028153 432319198 /nfs/dbraw/zinc/31/91/98/432319198.db2.gz FMCRLOQKBWSTAM-UHFFFAOYSA-N 1 1 306.450 3.096 20 10 DGCDMO CCn1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000271074895 432326366 /nfs/dbraw/zinc/32/63/66/432326366.db2.gz NYGSEEFZSWHGBD-UHFFFAOYSA-N 1 1 300.450 3.380 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000271440194 432395121 /nfs/dbraw/zinc/39/51/21/432395121.db2.gz RRJKIRJDOURHAF-DZGCQCFKSA-N 1 1 320.433 3.127 20 10 DGCDMO CC(C)NC(=O)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192649963 432396269 /nfs/dbraw/zinc/39/62/69/432396269.db2.gz QGNVBAZDCJPIIJ-VIFPVBQESA-N 1 1 319.232 3.264 20 10 DGCDMO CCc1nnc([C@H](C)[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)[nH]1 ZINC000271443604 432397454 /nfs/dbraw/zinc/39/74/54/432397454.db2.gz FKTXFCXTMJXBLY-WFASDCNBSA-N 1 1 301.438 3.235 20 10 DGCDMO C[C@@H]([NH2+]Cc1cnn(C)c1)c1cc(Cl)c(Cl)cc1O ZINC000192721000 432404834 /nfs/dbraw/zinc/40/48/34/432404834.db2.gz RJCXILQNYFWRML-MRVPVSSYSA-N 1 1 300.189 3.283 20 10 DGCDMO CNC(=O)CC[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000272093663 432444105 /nfs/dbraw/zinc/44/41/05/432444105.db2.gz YLUFUWXVFINDCW-HNNXBMFYSA-N 1 1 312.413 3.092 20 10 DGCDMO C[C@H]([NH2+]CC1(C)OCCO1)c1cc(Cl)c(Cl)cc1O ZINC000193065709 432446161 /nfs/dbraw/zinc/44/61/61/432446161.db2.gz OTZZUBXQOZAYAH-QMMMGPOBSA-N 1 1 306.189 3.113 20 10 DGCDMO C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(F)cc1O ZINC000185026831 432457364 /nfs/dbraw/zinc/45/73/64/432457364.db2.gz PGRUQESMJQRSOA-SNVBAGLBSA-N 1 1 308.319 3.066 20 10 DGCDMO CCC[N@@H+](Cc1cc(OC)ccc1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271881339 432426449 /nfs/dbraw/zinc/42/64/49/432426449.db2.gz VCMIBZOWTZOLPB-KBAYOESNSA-N 1 1 319.445 3.426 20 10 DGCDMO C[N@@H+]1CC=C(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271857756 432426802 /nfs/dbraw/zinc/42/68/02/432426802.db2.gz VHMQTSRQAOJXRP-UHFFFAOYSA-N 1 1 308.425 3.411 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(F)cc1O ZINC000185525313 432508359 /nfs/dbraw/zinc/50/83/59/432508359.db2.gz ANUYZHYPJAYBSM-DZGCQCFKSA-N 1 1 303.377 3.348 20 10 DGCDMO C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(F)cc1O ZINC000185091030 432465863 /nfs/dbraw/zinc/46/58/63/432465863.db2.gz PQGRMHPFQBCGTC-GFCCVEGCSA-N 1 1 308.397 3.021 20 10 DGCDMO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000185825958 432537194 /nfs/dbraw/zinc/53/71/94/432537194.db2.gz UEUOLYVCIRWIAQ-PXAZEXFGSA-N 1 1 319.376 3.314 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1O ZINC000177027897 432576632 /nfs/dbraw/zinc/57/66/32/432576632.db2.gz JUKULKNPNJHZST-LBPRGKRZSA-N 1 1 323.820 3.249 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1O ZINC000177027897 432576638 /nfs/dbraw/zinc/57/66/38/432576638.db2.gz JUKULKNPNJHZST-LBPRGKRZSA-N 1 1 323.820 3.249 20 10 DGCDMO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c(O)c1C ZINC000278778201 432900354 /nfs/dbraw/zinc/90/03/54/432900354.db2.gz YECNSVDHBIZTHE-NVXWUHKLSA-N 1 1 320.477 3.161 20 10 DGCDMO CCCn1ccnc1CCC[N@@H+](C)Cc1cccc(C)c1O ZINC000290389020 433043105 /nfs/dbraw/zinc/04/31/05/433043105.db2.gz IQZZDEBTISTSMK-UHFFFAOYSA-N 1 1 301.434 3.372 20 10 DGCDMO CCCOc1ccc(C[N@@H+](C)C2CCC(CO)CC2)c(O)c1 ZINC000290421536 433050688 /nfs/dbraw/zinc/05/06/88/433050688.db2.gz KSZBXYPTJPSNNS-UHFFFAOYSA-N 1 1 307.434 3.164 20 10 DGCDMO C[C@H](c1ccccc1O)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296653908 290266891 /nfs/dbraw/zinc/26/68/91/290266891.db2.gz ZDGRODORQQOAHB-KGLIPLIRSA-N 1 1 304.434 3.067 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](O)C23CCCC3)c1O ZINC000292572965 433581012 /nfs/dbraw/zinc/58/10/12/433581012.db2.gz BVZUZFXFXXQTOG-HNNXBMFYSA-N 1 1 323.820 3.128 20 10 DGCDMO COc1ccc(N2CCCN(c3cc[nH+]cc3Cl)CC2)cc1 ZINC000301543171 433602744 /nfs/dbraw/zinc/60/27/44/433602744.db2.gz WBLBDUIWWBNATI-UHFFFAOYSA-N 1 1 317.820 3.460 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1F ZINC000293678935 433823883 /nfs/dbraw/zinc/82/38/83/433823883.db2.gz POSUEFVKKAETSJ-GOSISDBHSA-N 1 1 318.436 3.283 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1 ZINC000293537350 433773648 /nfs/dbraw/zinc/77/36/48/433773648.db2.gz CKMQGQBHOQNYJT-GOSISDBHSA-N 1 1 300.446 3.144 20 10 DGCDMO Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293973720 433948394 /nfs/dbraw/zinc/94/83/94/433948394.db2.gz QVAVLAGQSHNDTD-UHFFFAOYSA-N 1 1 311.788 3.212 20 10 DGCDMO Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293973720 433948398 /nfs/dbraw/zinc/94/83/98/433948398.db2.gz QVAVLAGQSHNDTD-UHFFFAOYSA-N 1 1 311.788 3.212 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CC[C@@H](OC)C(C)(C)C2)c(O)c1 ZINC000294706785 434128542 /nfs/dbraw/zinc/12/85/42/434128542.db2.gz BPCUMXRXILONCX-QGZVFWFLSA-N 1 1 307.434 3.428 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](CCc2cscn2)C2CC2)cc1 ZINC000294782360 434140845 /nfs/dbraw/zinc/14/08/45/434140845.db2.gz APRBJWVPGBRBOG-UHFFFAOYSA-N 1 1 301.459 3.416 20 10 DGCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000294887907 434150260 /nfs/dbraw/zinc/15/02/60/434150260.db2.gz WDUBDKOLWZFUHU-HOCLYGCPSA-N 1 1 318.461 3.457 20 10 DGCDMO C[N@H+](CCC1CCOCC1)Cc1cc(Cl)c(F)cc1O ZINC000295448729 434366031 /nfs/dbraw/zinc/36/60/31/434366031.db2.gz VCJNWXNLSGPARO-UHFFFAOYSA-N 1 1 301.789 3.433 20 10 DGCDMO C[N@@H+](CCC1CCOCC1)Cc1cc(Cl)c(F)cc1O ZINC000295448729 434366043 /nfs/dbraw/zinc/36/60/43/434366043.db2.gz VCJNWXNLSGPARO-UHFFFAOYSA-N 1 1 301.789 3.433 20 10 DGCDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000370703163 434618137 /nfs/dbraw/zinc/61/81/37/434618137.db2.gz YVNJHXIWHMKFMN-HNNXBMFYSA-N 1 1 303.381 3.475 20 10 DGCDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000370703163 434618145 /nfs/dbraw/zinc/61/81/45/434618145.db2.gz YVNJHXIWHMKFMN-HNNXBMFYSA-N 1 1 303.381 3.475 20 10 DGCDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000372433484 434827582 /nfs/dbraw/zinc/82/75/82/434827582.db2.gz JFYJZFNIIRALJH-GFCCVEGCSA-N 1 1 305.809 3.159 20 10 DGCDMO Cc1ncsc1CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000295141445 334219835 /nfs/dbraw/zinc/21/98/35/334219835.db2.gz ZWIVOEQEGZJCLJ-UHFFFAOYSA-N 1 1 300.786 3.282 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC000184695849 533953210 /nfs/dbraw/zinc/95/32/10/533953210.db2.gz RYDHCBMZDNAAAC-RISCZKNCSA-N 1 1 311.809 3.055 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c(O)c1 ZINC000131926011 520347554 /nfs/dbraw/zinc/34/75/54/520347554.db2.gz GOWKKAGBIULUFB-QGZVFWFLSA-N 1 1 315.417 3.252 20 10 DGCDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000179938309 520664665 /nfs/dbraw/zinc/66/46/65/520664665.db2.gz MZJLKAXHTZRSFD-WBVHZDCISA-N 1 1 318.461 3.217 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2ncc(Cl)n2C)cc1F ZINC000265738704 520907652 /nfs/dbraw/zinc/90/76/52/520907652.db2.gz DGMNMPGNEPGUQL-UHFFFAOYSA-N 1 1 324.831 3.349 20 10 DGCDMO CC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000159472254 521371435 /nfs/dbraw/zinc/37/14/35/521371435.db2.gz NVGSUORZRZJHTO-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO CC[N@H+]1C[C@H](C)N(Cc2c(O)ccc(Cl)c2F)C[C@H]1C ZINC001658441517 1196256467 /nfs/dbraw/zinc/25/64/67/1196256467.db2.gz IWPFDEVUOQARLA-MNOVXSKESA-N 1 1 300.805 3.099 20 10 DGCDMO CCn1cnnc1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000158471167 523591479 /nfs/dbraw/zinc/59/14/79/523591479.db2.gz IVGDNVGNDUUTAE-HNNXBMFYSA-N 1 1 313.449 3.139 20 10 DGCDMO CO[C@H](C)c1nc(C[NH2+]Cc2cc(C)c(C)cc2O)cs1 ZINC000267594997 523915594 /nfs/dbraw/zinc/91/55/94/523915594.db2.gz BYOOIXJSIRYMHV-GFCCVEGCSA-N 1 1 306.431 3.463 20 10 DGCDMO c1cc2c(nc[nH+]c2N2CC=C(c3c[nH]c4ncccc34)CC2)[nH]1 ZINC000339239746 526442685 /nfs/dbraw/zinc/44/26/85/526442685.db2.gz RUMNVJBJXWEUNK-UHFFFAOYSA-N 1 1 316.368 3.128 20 10 DGCDMO Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000237990387 527493260 /nfs/dbraw/zinc/49/32/60/527493260.db2.gz DCDWYEXACMUDMK-KRWDZBQOSA-N 1 1 313.376 3.011 20 10 DGCDMO Nc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000237990387 527493265 /nfs/dbraw/zinc/49/32/65/527493265.db2.gz DCDWYEXACMUDMK-KRWDZBQOSA-N 1 1 313.376 3.011 20 10 DGCDMO CC[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000286013621 535900855 /nfs/dbraw/zinc/90/08/55/535900855.db2.gz JJTKDRYUHSQHNP-ZDUSSCGKSA-N 1 1 312.385 3.097 20 10 DGCDMO CC[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(F)cc1O ZINC000285580820 535923808 /nfs/dbraw/zinc/92/38/08/535923808.db2.gz INCZLCLZKULTMT-AWEZNQCLSA-N 1 1 318.396 3.090 20 10 DGCDMO CCc1cnc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)s1 ZINC000273588335 536052027 /nfs/dbraw/zinc/05/20/27/536052027.db2.gz OKQRGDYPLNTJEJ-JTQLQIEISA-N 1 1 320.414 3.049 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000280130544 546379882 /nfs/dbraw/zinc/37/98/82/546379882.db2.gz DJCLYZXQZCRORX-LBPRGKRZSA-N 1 1 316.367 3.240 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCCc3sccc3C1)OCO2 ZINC000730453901 574529706 /nfs/dbraw/zinc/52/97/06/574529706.db2.gz DSTPGPBTXVKGEC-UHFFFAOYSA-N 1 1 303.383 3.131 20 10 DGCDMO Cc1cc(C)n(CC[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000731751856 574558316 /nfs/dbraw/zinc/55/83/16/574558316.db2.gz GKAXVWFAYMQOAB-UHFFFAOYSA-N 1 1 314.477 3.477 20 10 DGCDMO C[C@@H]1CCC[C@](CNCc2ccc(N(C)C)c(F)c2)([NH+](C)C)C1 ZINC000733325811 574615912 /nfs/dbraw/zinc/61/59/12/574615912.db2.gz YOMMPPHEWJDVPK-BEFAXECRSA-N 1 1 321.484 3.492 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1Cc2ccccc2C1 ZINC000733610046 574632302 /nfs/dbraw/zinc/63/23/02/574632302.db2.gz HBWKZJYRGVEQNZ-UHFFFAOYSA-N 1 1 322.452 3.122 20 10 DGCDMO CCCCCNC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613906 574632332 /nfs/dbraw/zinc/63/23/32/574632332.db2.gz PQEDRRZWSVDOLD-UHFFFAOYSA-N 1 1 318.461 3.443 20 10 DGCDMO Oc1c(F)cccc1C[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC001659216029 1196360367 /nfs/dbraw/zinc/36/03/67/1196360367.db2.gz ZZKBGGWLXQWKCP-UHFFFAOYSA-N 1 1 313.731 3.492 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](C3OCCO3)C2)cc1C(C)C ZINC000738148982 574860114 /nfs/dbraw/zinc/86/01/14/574860114.db2.gz NYKLOTZCOZEOPL-OAHLLOKOSA-N 1 1 319.445 3.409 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCc3c(Cl)cccc3C1)OCO2 ZINC000739864221 574914095 /nfs/dbraw/zinc/91/40/95/574914095.db2.gz ZNVXUJBDTRBWQO-UHFFFAOYSA-N 1 1 317.772 3.333 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCc3c(Cl)cccc3C1)OCO2 ZINC000739864221 574914097 /nfs/dbraw/zinc/91/40/97/574914097.db2.gz ZNVXUJBDTRBWQO-UHFFFAOYSA-N 1 1 317.772 3.333 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000742159139 574982828 /nfs/dbraw/zinc/98/28/28/574982828.db2.gz MZPAKWINJCJJRH-UHFFFAOYSA-N 1 1 312.413 3.333 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000728927326 575195539 /nfs/dbraw/zinc/19/55/39/575195539.db2.gz RKOFPECDRBOLDE-UHFFFAOYSA-N 1 1 323.396 3.453 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000728927326 575195542 /nfs/dbraw/zinc/19/55/42/575195542.db2.gz RKOFPECDRBOLDE-UHFFFAOYSA-N 1 1 323.396 3.453 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1C ZINC000744442041 575342876 /nfs/dbraw/zinc/34/28/76/575342876.db2.gz DDQKJZDCSDZIMI-FZMZJTMJSA-N 1 1 303.324 3.161 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1C ZINC000744442041 575342878 /nfs/dbraw/zinc/34/28/78/575342878.db2.gz DDQKJZDCSDZIMI-FZMZJTMJSA-N 1 1 303.324 3.161 20 10 DGCDMO CC[N@@H+](CCc1cccs1)Cc1cc2c(cc1O)OCO2 ZINC000746070211 575430232 /nfs/dbraw/zinc/43/02/32/575430232.db2.gz HUPPXVQXPNZYEU-UHFFFAOYSA-N 1 1 305.399 3.247 20 10 DGCDMO CCOCc1cc(CNC[C@H]2CC[N@@H+](C(C)C)C2)ccc1OC ZINC000747852778 575546338 /nfs/dbraw/zinc/54/63/38/575546338.db2.gz GFXBUAWMYDKMNY-QGZVFWFLSA-N 1 1 320.477 3.052 20 10 DGCDMO CCOCc1cc(CNC[C@H]2CC[N@H+](C(C)C)C2)ccc1OC ZINC000747852778 575546341 /nfs/dbraw/zinc/54/63/41/575546341.db2.gz GFXBUAWMYDKMNY-QGZVFWFLSA-N 1 1 320.477 3.052 20 10 DGCDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000749571741 575665813 /nfs/dbraw/zinc/66/58/13/575665813.db2.gz BQXPVVSQXLGAIX-GOSISDBHSA-N 1 1 317.477 3.023 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000751942884 575813077 /nfs/dbraw/zinc/81/30/77/575813077.db2.gz ZZEISROXNPROOY-GFCCVEGCSA-N 1 1 301.386 3.238 20 10 DGCDMO CC[C@H](C)[N@@H+](C)CCNCc1ccc(N(CC)CC)c(F)c1 ZINC000740004893 576076842 /nfs/dbraw/zinc/07/68/42/576076842.db2.gz YNVUPHSDHUINFS-HNNXBMFYSA-N 1 1 309.473 3.492 20 10 DGCDMO CC[C@H](C)N(C)CC[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000740004893 576076845 /nfs/dbraw/zinc/07/68/45/576076845.db2.gz YNVUPHSDHUINFS-HNNXBMFYSA-N 1 1 309.473 3.492 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C[C@H](O)Cc2ccccc2)C2CC2)cc1 ZINC000917014219 620652312 /nfs/dbraw/zinc/65/23/12/620652312.db2.gz OVFJFYMCZIEPER-OAQYLSRUSA-N 1 1 324.468 3.321 20 10 DGCDMO CC(C)[C@H](C)NC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075176 620654947 /nfs/dbraw/zinc/65/49/47/620654947.db2.gz RORJBGYYNDBATC-INIZCTEOSA-N 1 1 319.493 3.124 20 10 DGCDMO C[N@@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000154468067 620679292 /nfs/dbraw/zinc/67/92/92/620679292.db2.gz HRVRHNXMEICZLG-UHFFFAOYSA-N 1 1 314.404 3.294 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C)O1 ZINC000111168337 620678798 /nfs/dbraw/zinc/67/87/98/620678798.db2.gz PXPXULYQJGJVKB-WFASDCNBSA-N 1 1 307.434 3.395 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(F)ccc1[O-] ZINC000853240017 620680893 /nfs/dbraw/zinc/68/08/93/620680893.db2.gz LOZBBPQQJBDKKR-DZGCQCFKSA-N 1 1 306.425 3.304 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(F)ccc1[O-] ZINC000853240017 620680895 /nfs/dbraw/zinc/68/08/95/620680895.db2.gz LOZBBPQQJBDKKR-DZGCQCFKSA-N 1 1 306.425 3.304 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1[O-] ZINC000853241017 620681457 /nfs/dbraw/zinc/68/14/57/620681457.db2.gz RRVLWYWWCOLOOO-HIFRSBDPSA-N 1 1 306.425 3.304 20 10 DGCDMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)c1C ZINC000111236431 620685478 /nfs/dbraw/zinc/68/54/78/620685478.db2.gz IDUFYDSNSRDKFP-OAHLLOKOSA-N 1 1 312.413 3.468 20 10 DGCDMO OCc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)o1 ZINC000154726283 620707590 /nfs/dbraw/zinc/70/75/90/620707590.db2.gz WNKRACHUCJTMIX-UHFFFAOYSA-N 1 1 313.353 3.273 20 10 DGCDMO OCc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)o1 ZINC000154726283 620707593 /nfs/dbraw/zinc/70/75/93/620707593.db2.gz WNKRACHUCJTMIX-UHFFFAOYSA-N 1 1 313.353 3.273 20 10 DGCDMO CCC1(CC)CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000853563869 620710363 /nfs/dbraw/zinc/71/03/63/620710363.db2.gz ZSONQKDFJVHMSG-MRXNPFEDSA-N 1 1 305.418 3.220 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c(O)cc1C ZINC000853572425 620710778 /nfs/dbraw/zinc/71/07/78/620710778.db2.gz SDCHRPUMBKFPTG-QAPCUYQASA-N 1 1 319.445 3.490 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@H]3COC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853585923 620712978 /nfs/dbraw/zinc/71/29/78/620712978.db2.gz LJTKOXVMFMVIIE-DZGCQCFKSA-N 1 1 319.445 3.167 20 10 DGCDMO COc1ccc(N2CC[C@H](Nc3[nH+]c4ccccc4n3C)C2)cc1 ZINC000853758858 620734404 /nfs/dbraw/zinc/73/44/04/620734404.db2.gz LKJGRHJOXLUAEX-AWEZNQCLSA-N 1 1 322.412 3.273 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccccc2C)c(O)c1OC ZINC000891471318 617809594 /nfs/dbraw/zinc/80/95/94/617809594.db2.gz KSAHQDQSAZCGCB-UHFFFAOYSA-N 1 1 301.386 3.350 20 10 DGCDMO OC1CCN(c2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2)CC1 ZINC000853956142 620756795 /nfs/dbraw/zinc/75/67/95/620756795.db2.gz RTGSDWJACYLOEQ-UHFFFAOYSA-N 1 1 322.412 3.136 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c(O)c1OC ZINC000891629108 617856482 /nfs/dbraw/zinc/85/64/82/617856482.db2.gz AODJQMJYLMLBAF-OAHLLOKOSA-N 1 1 313.397 3.399 20 10 DGCDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)c(O)c1OC ZINC000891648031 617860561 /nfs/dbraw/zinc/86/05/61/617860561.db2.gz IXFBKVQSQAJQAJ-CQSZACIVSA-N 1 1 318.373 3.043 20 10 DGCDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)c(O)c1OC ZINC000891648031 617860571 /nfs/dbraw/zinc/86/05/71/617860571.db2.gz IXFBKVQSQAJQAJ-CQSZACIVSA-N 1 1 318.373 3.043 20 10 DGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2O)C1(C)C ZINC000892102052 617961795 /nfs/dbraw/zinc/96/17/95/617961795.db2.gz REYOSEVFFMAJKU-HUUCEWRRSA-N 1 1 323.433 3.045 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2c[nH]nc2C(C)(C)C)cc1 ZINC000155176008 620780638 /nfs/dbraw/zinc/78/06/38/620780638.db2.gz VGSSXFLGYJXVOP-UHFFFAOYSA-N 1 1 300.450 3.405 20 10 DGCDMO COc1ccc(N2CC[C@H](N[C@H]3C[C@@H]([NH3+])c4ccccc43)C2)cc1 ZINC000854217187 620784996 /nfs/dbraw/zinc/78/49/96/620784996.db2.gz KKDCPIPQSGMKDN-KPOBHBOGSA-N 1 1 323.440 3.008 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c1O ZINC000894783189 618456751 /nfs/dbraw/zinc/45/67/51/618456751.db2.gz QLUZFGINYBUTBT-HNNXBMFYSA-N 1 1 315.417 3.386 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1O ZINC000894997949 618509204 /nfs/dbraw/zinc/50/92/04/618509204.db2.gz CVNIFCNIRRTTSQ-GOSISDBHSA-N 1 1 319.445 3.346 20 10 DGCDMO C[C@@H]([NH2+]C[C@@]1(C(F)(F)F)CCCN1)c1cc(F)cc(F)c1O ZINC000925856008 618646923 /nfs/dbraw/zinc/64/69/23/618646923.db2.gz PUKKWDVVNCSFOR-AMIZOPFISA-N 1 1 324.293 3.006 20 10 DGCDMO CN(C)c1ccc(/C=C/C[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000840973531 618649129 /nfs/dbraw/zinc/64/91/29/618649129.db2.gz OJIZLWBVMRTLTG-ONEGZZNKSA-N 1 1 314.458 3.285 20 10 DGCDMO Cc1nc2sccn2c1C[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893994674 618688382 /nfs/dbraw/zinc/68/83/82/618688382.db2.gz CMQXRKHEEOCSGN-UHFFFAOYSA-N 1 1 323.368 3.320 20 10 DGCDMO COc1ccc(C[N@H+]2CCC[C@@H](C3CCC3)C2)c(O)c1OC ZINC000895449490 618786268 /nfs/dbraw/zinc/78/62/68/618786268.db2.gz QALJSQYSRQCNBU-CQSZACIVSA-N 1 1 305.418 3.422 20 10 DGCDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000895577291 618801174 /nfs/dbraw/zinc/80/11/74/618801174.db2.gz IFMBMDHBZGMMRB-LBPRGKRZSA-N 1 1 309.715 3.199 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c(O)c1OC ZINC000895938911 618851740 /nfs/dbraw/zinc/85/17/40/618851740.db2.gz NCJKTSHOVFHOCV-CQSZACIVSA-N 1 1 319.323 3.184 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000896220306 618885298 /nfs/dbraw/zinc/88/52/98/618885298.db2.gz OZLUXUOSNHYTEH-XLIONFOSSA-N 1 1 309.409 3.101 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)cc1 ZINC000896488566 618917624 /nfs/dbraw/zinc/91/76/24/618917624.db2.gz IDISDKJYVNDMJM-MJICGBHWSA-N 1 1 324.472 3.379 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)cc1Cl ZINC000896488412 618917777 /nfs/dbraw/zinc/91/77/77/618917777.db2.gz MWEGJYUBRHDLKK-ZDUSSCGKSA-N 1 1 319.836 3.467 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000896490726 618918273 /nfs/dbraw/zinc/91/82/73/618918273.db2.gz WFAUETVOKKGWNS-KRWDZBQOSA-N 1 1 312.461 3.174 20 10 DGCDMO CC1(C)OCc2cc(C[NH2+]Cc3c(O)cccc3F)ccc2O1 ZINC000896636440 618939355 /nfs/dbraw/zinc/93/93/55/618939355.db2.gz CNROEMOPZONTJX-UHFFFAOYSA-N 1 1 317.360 3.466 20 10 DGCDMO CN(C)c1cc(F)c(C[NH+]2CCC(O)(C3CCC3)CC2)cc1F ZINC000897034021 619004647 /nfs/dbraw/zinc/00/46/47/619004647.db2.gz GKVAEKIMRCWPGI-UHFFFAOYSA-N 1 1 324.415 3.158 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](Cc3nc(C)cs3)C2)c1 ZINC000897299012 619048656 /nfs/dbraw/zinc/04/86/56/619048656.db2.gz QQSRPYDPSRPONZ-ZDUSSCGKSA-N 1 1 318.442 3.230 20 10 DGCDMO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841743723 619131829 /nfs/dbraw/zinc/13/18/29/619131829.db2.gz BXVMOUWPITUZFV-LBPRGKRZSA-N 1 1 312.841 3.345 20 10 DGCDMO C[C@@H]([NH2+]Cc1cccc(Br)c1O)c1cncs1 ZINC000897933990 619194456 /nfs/dbraw/zinc/19/44/56/619194456.db2.gz CKDKZWLSWISQAB-MRVPVSSYSA-N 1 1 313.220 3.462 20 10 DGCDMO Oc1ccc(Cl)c(F)c1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897980859 619202556 /nfs/dbraw/zinc/20/25/56/619202556.db2.gz FLZNRTBHEWJSGJ-UHFFFAOYSA-N 1 1 312.816 3.291 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2cccc(Cl)c2)cc1 ZINC000841041454 619243037 /nfs/dbraw/zinc/24/30/37/619243037.db2.gz CJCMKASRNBTLOE-QGZVFWFLSA-N 1 1 303.837 3.196 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)c1O ZINC000898422992 619274748 /nfs/dbraw/zinc/27/47/48/619274748.db2.gz PUWKXKKAXQAIEL-ABAIWWIYSA-N 1 1 313.850 3.239 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000902450808 619639981 /nfs/dbraw/zinc/63/99/81/619639981.db2.gz UMIZMNYLNRUNIB-LDYMZIIASA-N 1 1 303.233 3.348 20 10 DGCDMO CCCn1cc([C@H](C)[NH2+]Cc2ccc(N(CC)CC)cc2)nn1 ZINC000902755835 619671117 /nfs/dbraw/zinc/67/11/17/619671117.db2.gz UJENPJYJLUZTAY-HNNXBMFYSA-N 1 1 315.465 3.385 20 10 DGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H](F)C3)cc2)CC1 ZINC000902993647 619700747 /nfs/dbraw/zinc/70/07/47/619700747.db2.gz WKCJRUGYXCZGHL-MRXNPFEDSA-N 1 1 306.425 3.236 20 10 DGCDMO C[C@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1ccc(F)cc1O ZINC000903269611 619749549 /nfs/dbraw/zinc/74/95/49/619749549.db2.gz BXJLVHYBDITDCV-AXHNFQJDSA-N 1 1 315.388 3.275 20 10 DGCDMO CC[C@@H]([NH2+]C[C@]1(OC(C)C)CCOC1)c1ccc(F)cc1O ZINC000903357219 619764609 /nfs/dbraw/zinc/76/46/09/619764609.db2.gz LAYQGZCJHPZDLD-NVXWUHKLSA-N 1 1 311.397 3.156 20 10 DGCDMO C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1cccc(C(F)(F)F)c1O ZINC000903408853 619772086 /nfs/dbraw/zinc/77/20/86/619772086.db2.gz URFYHRVUKCIGKJ-TVQRCGJNSA-N 1 1 303.324 3.223 20 10 DGCDMO CN(C)c1ccc(CN(C[C@@]2(C)CCC[NH2+]C2)C2CC2)cc1 ZINC000904307721 619911894 /nfs/dbraw/zinc/91/18/94/619911894.db2.gz VIHKIERGRDEDFK-IBGZPJMESA-N 1 1 301.478 3.107 20 10 DGCDMO COc1ccccc1C[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000915807962 620598701 /nfs/dbraw/zinc/59/87/01/620598701.db2.gz RUSNBQDULAXZJF-UHFFFAOYSA-N 1 1 301.386 3.350 20 10 DGCDMO C[C@H]([NH2+]Cc1nc(Br)c[nH]1)c1ccc(N(C)C)cc1 ZINC000922014466 620980272 /nfs/dbraw/zinc/98/02/72/620980272.db2.gz IMPBPMJKXWARHM-JTQLQIEISA-N 1 1 323.238 3.089 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3ccnc(C)c3)CC2)cc1 ZINC000856721173 621010359 /nfs/dbraw/zinc/01/03/59/621010359.db2.gz BSPQXQVVXYGAFL-UHFFFAOYSA-N 1 1 311.429 3.111 20 10 DGCDMO C[N@@H+](Cc1ccnn1CCc1ccccc1)Cc1ccccc1O ZINC000857018744 621045700 /nfs/dbraw/zinc/04/57/00/621045700.db2.gz SZAJMSJUJHNWOR-UHFFFAOYSA-N 1 1 321.424 3.463 20 10 DGCDMO CN(C)c1ccc(/C=C\C[NH2+][C@@H](c2ncccn2)C2CC2)cc1 ZINC000922577266 621059845 /nfs/dbraw/zinc/05/98/45/621059845.db2.gz PNVZGCDMGIQABJ-LKIHTYOGSA-N 1 1 308.429 3.297 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C(C)(C)/C=C\Cl)cc2)CC1 ZINC000922649176 621073168 /nfs/dbraw/zinc/07/31/68/621073168.db2.gz ULDUFTZSYVHSRV-HJWRWDBZSA-N 1 1 307.869 3.059 20 10 DGCDMO CCCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000857757966 621118134 /nfs/dbraw/zinc/11/81/34/621118134.db2.gz YRBVNLFMPNCOOY-INIZCTEOSA-N 1 1 319.493 3.269 20 10 DGCDMO Cc1cc(O)c(C[NH2+]Cc2nc3c(s2)COCC3)c(Cl)c1 ZINC000922961690 621139571 /nfs/dbraw/zinc/13/95/71/621139571.db2.gz SLEGVFQFGAHZQW-UHFFFAOYSA-N 1 1 324.833 3.173 20 10 DGCDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858136985 621156916 /nfs/dbraw/zinc/15/69/16/621156916.db2.gz BXZDJFJKAXADMP-SECBINFHSA-N 1 1 309.360 3.486 20 10 DGCDMO CCn1ncc(C[NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000858204974 621164824 /nfs/dbraw/zinc/16/48/24/621164824.db2.gz PPDAHPBIQWARNJ-UHFFFAOYSA-N 1 1 323.444 3.304 20 10 DGCDMO CCC[C@@H](C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)OCC ZINC000858450692 621192794 /nfs/dbraw/zinc/19/27/94/621192794.db2.gz HOISJGDTOXDDGY-OCCSQVGLSA-N 1 1 309.406 3.035 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(Cl)cc1O ZINC000858480391 621196542 /nfs/dbraw/zinc/19/65/42/621196542.db2.gz SPHDAAJQPBNKGL-ZYHUDNBSSA-N 1 1 318.795 3.426 20 10 DGCDMO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](CC)c2ccc(F)cc2O)C1 ZINC000858505869 621199866 /nfs/dbraw/zinc/19/98/66/621199866.db2.gz BPMVFRQYMVBVLR-HIFRSBDPSA-N 1 1 307.365 3.224 20 10 DGCDMO COC1CC(C[N@@H+](Cc2ccco2)Cc2ccccc2O)C1 ZINC000859190063 621258875 /nfs/dbraw/zinc/25/88/75/621258875.db2.gz FAFUZUSLZCYWQO-UHFFFAOYSA-N 1 1 301.386 3.412 20 10 DGCDMO C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000839183276 621344688 /nfs/dbraw/zinc/34/46/88/621344688.db2.gz VSHJUWCNJOMSPY-NSHDSACASA-N 1 1 300.805 3.006 20 10 DGCDMO CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)C12CCC2 ZINC000839189654 621346308 /nfs/dbraw/zinc/34/63/08/621346308.db2.gz BHAKAHVSWZGGGG-GJZGRUSLSA-N 1 1 323.820 3.295 20 10 DGCDMO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)C12CCC2 ZINC000839189657 621346455 /nfs/dbraw/zinc/34/64/55/621346455.db2.gz BHAKAHVSWZGGGG-HUUCEWRRSA-N 1 1 323.820 3.295 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c(O)c1 ZINC000839193726 621347429 /nfs/dbraw/zinc/34/74/29/621347429.db2.gz WQPOLFFWMGSEJG-ZWKOTPCHSA-N 1 1 319.445 3.164 20 10 DGCDMO CCC(CC)[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000839481491 621379847 /nfs/dbraw/zinc/37/98/47/621379847.db2.gz ZHHHNMNEFHMESZ-UHFFFAOYSA-N 1 1 317.477 3.022 20 10 DGCDMO C[N@H+](Cc1cc[nH]n1)Cc1ccc(OCc2ccccc2)cc1O ZINC000753541117 621447375 /nfs/dbraw/zinc/44/73/75/621447375.db2.gz HFZCEHGNHNPTGE-UHFFFAOYSA-N 1 1 323.396 3.326 20 10 DGCDMO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(OCc2ccccc2)cc1O ZINC000753541117 621447376 /nfs/dbraw/zinc/44/73/76/621447376.db2.gz HFZCEHGNHNPTGE-UHFFFAOYSA-N 1 1 323.396 3.326 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+](C)C[C@H]3CC=CCC3)cc2)CC1 ZINC000753574764 621450043 /nfs/dbraw/zinc/45/00/43/621450043.db2.gz DQFBGSPQGZBJSK-SFHVURJKSA-N 1 1 313.489 3.227 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+](C)C[C@H]3CC=CCC3)cc2)CC1 ZINC000753574764 621450046 /nfs/dbraw/zinc/45/00/46/621450046.db2.gz DQFBGSPQGZBJSK-SFHVURJKSA-N 1 1 313.489 3.227 20 10 DGCDMO CS[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862385189 621582307 /nfs/dbraw/zinc/58/23/07/621582307.db2.gz PPZIQVMLRDKESX-SECBINFHSA-N 1 1 302.237 3.092 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@]1(C)CCCS1 ZINC000862214501 621562292 /nfs/dbraw/zinc/56/22/92/621562292.db2.gz SXDMURZJTVRUNE-GOSISDBHSA-N 1 1 320.502 3.241 20 10 DGCDMO CN(C)c1cc(F)c(C[NH+]2CCC(OCC3CC3)CC2)cc1F ZINC000862249324 621567480 /nfs/dbraw/zinc/56/74/80/621567480.db2.gz LHYPTFZERIOHGK-UHFFFAOYSA-N 1 1 324.415 3.422 20 10 DGCDMO C[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C[C@H]1F ZINC000862302134 621573124 /nfs/dbraw/zinc/57/31/24/621573124.db2.gz XFJZYEUWWDZTCH-JOYOIKCWSA-N 1 1 302.187 3.335 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C[C@H]1F ZINC000862302134 621573125 /nfs/dbraw/zinc/57/31/25/621573125.db2.gz XFJZYEUWWDZTCH-JOYOIKCWSA-N 1 1 302.187 3.335 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+](C)CCc2ccncc2)cc1F ZINC000862324428 621574540 /nfs/dbraw/zinc/57/45/40/621574540.db2.gz MFSQDUOUPAFURW-UHFFFAOYSA-N 1 1 305.372 3.100 20 10 DGCDMO CC[C@H](C)[N@H+](CCO)Cc1cc(C)cc(Br)c1O ZINC000862388179 621582753 /nfs/dbraw/zinc/58/27/53/621582753.db2.gz XOYMVYRJOBEJSG-NSHDSACASA-N 1 1 316.239 3.056 20 10 DGCDMO CC[C@H](C)[N@@H+](CCO)Cc1cc(C)cc(Br)c1O ZINC000862388179 621582754 /nfs/dbraw/zinc/58/27/54/621582754.db2.gz XOYMVYRJOBEJSG-NSHDSACASA-N 1 1 316.239 3.056 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1F ZINC000862387483 621582946 /nfs/dbraw/zinc/58/29/46/621582946.db2.gz NMCZOIOWKDFPRG-KRWDZBQOSA-N 1 1 310.388 3.033 20 10 DGCDMO CC[C@@H](C)[N@H+](CCO)Cc1cc(C)cc(Br)c1O ZINC000862388178 621582991 /nfs/dbraw/zinc/58/29/91/621582991.db2.gz XOYMVYRJOBEJSG-LLVKDONJSA-N 1 1 316.239 3.056 20 10 DGCDMO CC[C@@H](C)[N@@H+](CCO)Cc1cc(C)cc(Br)c1O ZINC000862388178 621582993 /nfs/dbraw/zinc/58/29/93/621582993.db2.gz XOYMVYRJOBEJSG-LLVKDONJSA-N 1 1 316.239 3.056 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H](CCO)CC2)cc1F ZINC000862397653 621584342 /nfs/dbraw/zinc/58/43/42/621584342.db2.gz VIOJSTLFDHMAAL-CYBMUJFWSA-N 1 1 312.404 3.015 20 10 DGCDMO C[C@H]1CC2(C[N@H+]1Cc1cc(F)c(N(C)C)cc1F)CCOCC2 ZINC000862400024 621585243 /nfs/dbraw/zinc/58/52/43/621585243.db2.gz KRNXQDSTUCYBDP-ZDUSSCGKSA-N 1 1 324.415 3.422 20 10 DGCDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)ccc1N1CCCCC1 ZINC000862440646 621589959 /nfs/dbraw/zinc/58/99/59/621589959.db2.gz JLYGGDRIUNZPAR-GASCZTMLSA-N 1 1 301.390 3.037 20 10 DGCDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(C)ccc1O ZINC000862468518 621592888 /nfs/dbraw/zinc/59/28/88/621592888.db2.gz KDPVJMKLKONWEJ-UHFFFAOYSA-N 1 1 308.422 3.047 20 10 DGCDMO CCC(O)(CC)C[N@@H+](C)Cc1c(O)cccc1Br ZINC000862538564 621598485 /nfs/dbraw/zinc/59/84/85/621598485.db2.gz ALSHDLPYAGXPLW-UHFFFAOYSA-N 1 1 316.239 3.138 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000862541734 621598817 /nfs/dbraw/zinc/59/88/17/621598817.db2.gz UTRZLNWOPCFXJH-ZDUSSCGKSA-N 1 1 308.422 3.046 20 10 DGCDMO CC(C)CCOCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000755943561 621605650 /nfs/dbraw/zinc/60/56/50/621605650.db2.gz LJPGHLNNFJTVEA-SFHVURJKSA-N 1 1 321.461 3.436 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(F)cc2)c1 ZINC000756339616 621629306 /nfs/dbraw/zinc/62/93/06/621629306.db2.gz DFGINXNJMKBTOT-NSHDSACASA-N 1 1 303.333 3.169 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc(F)cc(F)c1O ZINC000756455720 621639520 /nfs/dbraw/zinc/63/95/20/621639520.db2.gz ASAMIKGOIRVRID-RFAUZJTJSA-N 1 1 311.303 3.194 20 10 DGCDMO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1cc(F)cc(F)c1O ZINC000756462841 621639978 /nfs/dbraw/zinc/63/99/78/621639978.db2.gz YFZCRBXZPKGNTI-SECBINFHSA-N 1 1 307.296 3.250 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000756459810 621640153 /nfs/dbraw/zinc/64/01/53/621640153.db2.gz XNHLUGRTQHCALG-JTQLQIEISA-N 1 1 321.323 3.308 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc32)c1 ZINC000756535842 621645750 /nfs/dbraw/zinc/64/57/50/621645750.db2.gz RUDPWPCKIPNHIK-DOMZBBRYSA-N 1 1 311.381 3.169 20 10 DGCDMO Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756534212 621645967 /nfs/dbraw/zinc/64/59/67/621645967.db2.gz LFNQTEYWQHQTOV-QWRGUYRKSA-N 1 1 309.360 3.162 20 10 DGCDMO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cc(F)cc(F)c1O ZINC000756593024 621651839 /nfs/dbraw/zinc/65/18/39/621651839.db2.gz LCSBISQCLLOSSG-RFAUZJTJSA-N 1 1 313.369 3.290 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)cccc2F)c1 ZINC000756612471 621652541 /nfs/dbraw/zinc/65/25/41/621652541.db2.gz XDXCBNQLJDQCGU-GFCCVEGCSA-N 1 1 317.360 3.477 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC(F)(F)F)c1 ZINC000756624056 621653240 /nfs/dbraw/zinc/65/32/40/621653240.db2.gz DELXTESGZAAEER-VIFPVBQESA-N 1 1 305.296 3.172 20 10 DGCDMO Cc1cccn2cc(CC[NH2+][C@H](C)c3ccc(F)cc3O)nc12 ZINC000756628355 621653598 /nfs/dbraw/zinc/65/35/98/621653598.db2.gz LPSOOYFIIGQQNG-CYBMUJFWSA-N 1 1 313.376 3.381 20 10 DGCDMO COc1ccc(OCC[N@@H+](C)Cc2cc(C)ccc2O)cc1 ZINC000119361204 621656818 /nfs/dbraw/zinc/65/68/18/621656818.db2.gz UNGZORQOYXHIQR-UHFFFAOYSA-N 1 1 301.386 3.220 20 10 DGCDMO C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc(F)cc1O ZINC000756705825 621659053 /nfs/dbraw/zinc/65/90/53/621659053.db2.gz VSORQHXGVVBKDI-NSHDSACASA-N 1 1 303.333 3.153 20 10 DGCDMO C[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccc(F)cc1O ZINC000756763265 621663012 /nfs/dbraw/zinc/66/30/12/621663012.db2.gz WIPUAERFZWJMEE-OCCSQVGLSA-N 1 1 317.360 3.412 20 10 DGCDMO COC[C@@]1(C)C[N@@H+](Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000863339906 621664613 /nfs/dbraw/zinc/66/46/13/621664613.db2.gz GGWGZPNQKPQLCT-GOSISDBHSA-N 1 1 307.434 3.061 20 10 DGCDMO COC[C@]1(C)C[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000863339331 621664623 /nfs/dbraw/zinc/66/46/23/621664623.db2.gz BPIIQIOPTFCWNE-IBGZPJMESA-N 1 1 321.461 3.235 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000756913896 621672826 /nfs/dbraw/zinc/67/28/26/621672826.db2.gz XAIZLJRQXRPRGO-UHFFFAOYSA-N 1 1 312.369 3.476 20 10 DGCDMO CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000863547725 621682917 /nfs/dbraw/zinc/68/29/17/621682917.db2.gz WQGGQLHOTVELIB-XXILOJSOSA-N 1 1 303.233 3.490 20 10 DGCDMO COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000757658167 621731505 /nfs/dbraw/zinc/73/15/05/621731505.db2.gz WQDBAWLFGGJICN-TZMCWYRMSA-N 1 1 307.365 3.423 20 10 DGCDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000759155712 621830052 /nfs/dbraw/zinc/83/00/52/621830052.db2.gz ACJHEYNRFANYLL-SFHVURJKSA-N 1 1 322.412 3.319 20 10 DGCDMO COc1cc(F)cc(OC)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000865405121 621911850 /nfs/dbraw/zinc/91/18/50/621911850.db2.gz WXUFRMUTTVMDJN-UHFFFAOYSA-N 1 1 318.392 3.199 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000865777009 621993126 /nfs/dbraw/zinc/99/31/26/621993126.db2.gz 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ZINC000764141320 622181753 /nfs/dbraw/zinc/18/17/53/622181753.db2.gz YRZZAZILOQGHNW-SFHVURJKSA-N 1 1 318.461 3.450 20 10 DGCDMO CCOC(=O)[C@H](CC)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000764141320 622181754 /nfs/dbraw/zinc/18/17/54/622181754.db2.gz YRZZAZILOQGHNW-SFHVURJKSA-N 1 1 318.461 3.450 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCN1CC(F)F ZINC000765718116 622283988 /nfs/dbraw/zinc/28/39/88/622283988.db2.gz WWNITSRGXWPHJG-MRXNPFEDSA-N 1 1 324.415 3.042 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000766224103 622313492 /nfs/dbraw/zinc/31/34/92/622313492.db2.gz LMVSCQUCUAPTCF-GFCCVEGCSA-N 1 1 312.816 3.291 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnn(CC)c2)cc1 ZINC000768207992 622445509 /nfs/dbraw/zinc/44/55/09/622445509.db2.gz LFCFSIYVQNPCES-UHFFFAOYSA-N 1 1 300.450 3.381 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)c(O)c1 ZINC000768238031 622446998 /nfs/dbraw/zinc/44/69/98/622446998.db2.gz UTYJSBJSPBWPIB-UHFFFAOYSA-N 1 1 306.793 3.471 20 10 DGCDMO 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ZINC000774881304 623204091 /nfs/dbraw/zinc/20/40/91/623204091.db2.gz RIWWBFNJWOVDIH-UHFFFAOYSA-N 1 1 311.809 3.211 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000774942244 623210224 /nfs/dbraw/zinc/21/02/24/623210224.db2.gz JQIYAZAPKKPDJC-DMDPSCGWSA-N 1 1 308.378 3.223 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)CC3CCOCC3)c2c1 ZINC000124669644 623212229 /nfs/dbraw/zinc/21/22/29/623212229.db2.gz AHQNDWUFQDNSDB-UHFFFAOYSA-N 1 1 315.413 3.412 20 10 DGCDMO COc1c(O)c(C[NH2+]C2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774980898 623213680 /nfs/dbraw/zinc/21/36/80/623213680.db2.gz FAYHCNGBOFQFQU-GHMZBOCLSA-N 1 1 308.378 3.223 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000775061634 623224606 /nfs/dbraw/zinc/22/46/06/623224606.db2.gz ZRSLEHGCHKJTTG-GFCCVEGCSA-N 1 1 308.378 3.177 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000775061634 623224609 /nfs/dbraw/zinc/22/46/09/623224609.db2.gz 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DGCDMO Cc1ccc(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)c(O)c1 ZINC000877577585 623950359 /nfs/dbraw/zinc/95/03/59/623950359.db2.gz YVPLFNKRHHAXNM-UHFFFAOYSA-N 1 1 316.367 3.159 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000877640081 623974242 /nfs/dbraw/zinc/97/42/42/623974242.db2.gz ULTHGZAXLRVKPY-NWDGAFQWSA-N 1 1 303.324 3.242 20 10 DGCDMO CCc1cccc(C[N@H+](C)Cc2c(C)nn(CC)c2C)c1O ZINC000877664377 623983704 /nfs/dbraw/zinc/98/37/04/623983704.db2.gz PHTHEEHGBLGNKJ-UHFFFAOYSA-N 1 1 301.434 3.420 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)c1O ZINC000877672381 623986026 /nfs/dbraw/zinc/98/60/26/623986026.db2.gz DBUJPXMLHMEFID-IAGOWNOFSA-N 1 1 313.397 3.099 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)cc1 ZINC000877715872 624003371 /nfs/dbraw/zinc/00/33/71/624003371.db2.gz KZWDVSIIAWYPGB-LJQANCHMSA-N 1 1 322.456 3.132 20 10 DGCDMO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000877816296 624047996 /nfs/dbraw/zinc/04/79/96/624047996.db2.gz AYRMFGPDPPDSFI-UHFFFAOYSA-N 1 1 323.440 3.269 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)cc1OC ZINC000781585830 624099335 /nfs/dbraw/zinc/09/93/35/624099335.db2.gz IRBAAXNLECOQIY-FZKQIMNGSA-N 1 1 305.418 3.422 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(C)n1 ZINC000781901410 624168166 /nfs/dbraw/zinc/16/81/66/624168166.db2.gz SIKUZARRVQCHJO-UHFFFAOYSA-N 1 1 313.445 3.405 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878150855 624190647 /nfs/dbraw/zinc/19/06/47/624190647.db2.gz JQVLQIBRIAQAEO-KRWDZBQOSA-N 1 1 319.445 3.190 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2Cc3ccccc3OC[C@H]2C)c1O ZINC000782286041 624233067 /nfs/dbraw/zinc/23/30/67/624233067.db2.gz BPXGKVOGYFGZFT-CQSZACIVSA-N 1 1 313.397 3.492 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](O)CC1(O)CCCC1 ZINC000878565534 624309674 /nfs/dbraw/zinc/30/96/74/624309674.db2.gz OWVBHDUPHGPETN-QGZVFWFLSA-N 1 1 321.461 3.050 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCc3c(cccc3OC)C2)c(O)c1 ZINC000783594283 624372449 /nfs/dbraw/zinc/37/24/49/624372449.db2.gz FPYSEGQYTRLPAX-UHFFFAOYSA-N 1 1 313.397 3.358 20 10 DGCDMO C[C@@H]([NH2+]Cc1nc(CCc2ccccc2)no1)c1ccccc1O ZINC000879648533 624621564 /nfs/dbraw/zinc/62/15/64/624621564.db2.gz SJPBBYDIIUAYQD-CQSZACIVSA-N 1 1 323.396 3.411 20 10 DGCDMO CC(C)CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000879651015 624624383 /nfs/dbraw/zinc/62/43/83/624624383.db2.gz DPKAHNZQRGQHFZ-STQMWFEESA-N 1 1 319.405 3.360 20 10 DGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](CF)C3)cc2)CC1 ZINC000880299125 624902476 /nfs/dbraw/zinc/90/24/76/624902476.db2.gz CZKOHJRADJDECD-INIZCTEOSA-N 1 1 306.425 3.093 20 10 DGCDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000786578120 624924873 /nfs/dbraw/zinc/92/48/73/624924873.db2.gz HUNXIVUBPUAPET-DFBGVHRSSA-N 1 1 323.820 3.128 20 10 DGCDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000786578120 624924876 /nfs/dbraw/zinc/92/48/76/624924876.db2.gz HUNXIVUBPUAPET-DFBGVHRSSA-N 1 1 323.820 3.128 20 10 DGCDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)no1 ZINC000788543342 625212867 /nfs/dbraw/zinc/21/28/67/625212867.db2.gz UKLIUCCJMQEIQQ-AWEZNQCLSA-N 1 1 317.458 3.387 20 10 DGCDMO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788590847 625221300 /nfs/dbraw/zinc/22/13/00/625221300.db2.gz HBEZBEANPYSSOV-KWBADKCTSA-N 1 1 305.340 3.469 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc(C(F)(F)F)c1O ZINC000788607660 625227134 /nfs/dbraw/zinc/22/71/34/625227134.db2.gz LYFYOKCYXBNCON-ZWKOPEQDSA-N 1 1 303.324 3.365 20 10 DGCDMO c1cn(-c2ccccc2)c(C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000790954937 625721670 /nfs/dbraw/zinc/72/16/70/625721670.db2.gz GCXUTMKRCORSRT-UHFFFAOYSA-N 1 1 305.381 3.097 20 10 DGCDMO OCCC1([NH2+]Cc2c(O)ccc(Cl)c2F)CCCCC1 ZINC000790972011 625727001 /nfs/dbraw/zinc/72/70/01/625727001.db2.gz BKOWMHJCECIVLM-UHFFFAOYSA-N 1 1 301.789 3.360 20 10 DGCDMO C[C@@H]1C[C@@H](CC[NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000790986264 625731410 /nfs/dbraw/zinc/73/14/10/625731410.db2.gz LJEWPRGPIMVQBB-MNOVXSKESA-N 1 1 301.789 3.480 20 10 DGCDMO C[C@H](CCO)C1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCC1 ZINC000790991701 625731754 /nfs/dbraw/zinc/73/17/54/625731754.db2.gz ZOJYZRZUZPRVGK-LLVKDONJSA-N 1 1 315.816 3.463 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H](O)c1ccc(F)cc1 ZINC000883003792 625895023 /nfs/dbraw/zinc/89/50/23/625895023.db2.gz HXONSJOEPJETFI-PSLIRLAXSA-N 1 1 311.303 3.021 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000883076301 625917230 /nfs/dbraw/zinc/91/72/30/625917230.db2.gz ZJFLPMLJBJPHRV-WQVCFCJDSA-N 1 1 309.356 3.108 20 10 DGCDMO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1c(O)ccc(Cl)c1F ZINC000792165938 625917738 /nfs/dbraw/zinc/91/77/38/625917738.db2.gz MXUNGWPLUPKLGE-GFCCVEGCSA-N 1 1 314.832 3.491 20 10 DGCDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1c(O)ccc(Cl)c1F ZINC000792165938 625917742 /nfs/dbraw/zinc/91/77/42/625917742.db2.gz MXUNGWPLUPKLGE-GFCCVEGCSA-N 1 1 314.832 3.491 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@](C)(O)c1ccccc1 ZINC000883157945 625946003 /nfs/dbraw/zinc/94/60/03/625946003.db2.gz PHDVRSFOWDYLNR-APPDUMDISA-N 1 1 307.340 3.056 20 10 DGCDMO C[NH+](C)CCCNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796258720 626033035 /nfs/dbraw/zinc/03/30/35/626033035.db2.gz QDYNTJSVTLCGOY-UHFFFAOYSA-N 1 1 323.484 3.291 20 10 DGCDMO CN(C)CCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796258720 626033039 /nfs/dbraw/zinc/03/30/39/626033039.db2.gz QDYNTJSVTLCGOY-UHFFFAOYSA-N 1 1 323.484 3.291 20 10 DGCDMO CC[C@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(F)cc1O ZINC000796673060 626072189 /nfs/dbraw/zinc/07/21/89/626072189.db2.gz PXVGSKUGQAGQQR-INIZCTEOSA-N 1 1 322.424 3.365 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1 ZINC000796694290 626074089 /nfs/dbraw/zinc/07/40/89/626074089.db2.gz KZNPKPNRUFKILB-ZCNNSNEGSA-N 1 1 315.505 3.495 20 10 DGCDMO CC[C@@H]([NH2+][C@H](CO)Cc1cccc(C)c1)c1ccc(F)cc1O ZINC000796959506 626099967 /nfs/dbraw/zinc/09/99/67/626099967.db2.gz QPXCLMKEDKORHZ-FUHWJXTLSA-N 1 1 317.404 3.484 20 10 DGCDMO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2O)C1 ZINC000796978043 626101472 /nfs/dbraw/zinc/10/14/72/626101472.db2.gz KVQLBRWIPCRSJN-ZLDLUXBVSA-N 1 1 309.381 3.304 20 10 DGCDMO C[C@H](c1ncc(Br)cn1)[N@H+](C)Cc1ccccc1O ZINC000798194732 626201276 /nfs/dbraw/zinc/20/12/76/626201276.db2.gz AEVUWEHVHZXNFS-SNVBAGLBSA-N 1 1 322.206 3.138 20 10 DGCDMO C[C@H](c1ncc(Br)cn1)[N@@H+](C)Cc1ccccc1O ZINC000798194732 626201278 /nfs/dbraw/zinc/20/12/78/626201278.db2.gz AEVUWEHVHZXNFS-SNVBAGLBSA-N 1 1 322.206 3.138 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CN1C[C@@H](C)[C@@H](C)C1=O ZINC000839969693 626562946 /nfs/dbraw/zinc/56/29/46/626562946.db2.gz LTGUHWGPDUAFAO-HZPDHXFCSA-N 1 1 317.477 3.035 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](OCCOC)C2)cc1 ZINC000802651838 626564915 /nfs/dbraw/zinc/56/49/15/626564915.db2.gz DCZVXUIRTBZHIH-IBGZPJMESA-N 1 1 320.477 3.160 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000802656656 626565471 /nfs/dbraw/zinc/56/54/71/626565471.db2.gz NPYBILXQZVGYPS-SFHVURJKSA-N 1 1 301.361 3.472 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1 ZINC000883308274 626641902 /nfs/dbraw/zinc/64/19/02/626641902.db2.gz LMEFIFILTJWANH-UHFFFAOYSA-N 1 1 310.445 3.492 20 10 DGCDMO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000806137153 626701149 /nfs/dbraw/zinc/70/11/49/626701149.db2.gz HIGKSKZEIXDONY-AEFFLSMTSA-N 1 1 319.468 3.246 20 10 DGCDMO COC[C@@]1(C)CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840105993 626763678 /nfs/dbraw/zinc/76/36/78/626763678.db2.gz HGSNXVWNLZPVJD-SFHVURJKSA-N 1 1 307.434 3.254 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1COc2ccccc21 ZINC000808450793 626826119 /nfs/dbraw/zinc/82/61/19/626826119.db2.gz AMQDXXBFWYTEDQ-JTQLQIEISA-N 1 1 307.752 3.451 20 10 DGCDMO FC(F)C1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000808452015 626826292 /nfs/dbraw/zinc/82/62/92/626826292.db2.gz UXTFYTVQSUZVRJ-UHFFFAOYSA-N 1 1 310.388 3.191 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@]3(CCOC3)C1)CCCC2 ZINC000840141208 626837805 /nfs/dbraw/zinc/83/78/05/626837805.db2.gz BVKYORXITNFWPZ-LJQANCHMSA-N 1 1 301.430 3.274 20 10 DGCDMO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)[nH]1 ZINC000808710220 626852516 /nfs/dbraw/zinc/85/25/16/626852516.db2.gz MWDCCOLTWNPQCY-ZJUUUORDSA-N 1 1 308.813 3.446 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000840144257 626859267 /nfs/dbraw/zinc/85/92/67/626859267.db2.gz ZOANRVONCCBQSQ-IBGZPJMESA-N 1 1 319.445 3.398 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000840177115 626913761 /nfs/dbraw/zinc/91/37/61/626913761.db2.gz VCCOGCZQASZCNW-QGZVFWFLSA-N 1 1 319.445 3.396 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000840177115 626913764 /nfs/dbraw/zinc/91/37/64/626913764.db2.gz VCCOGCZQASZCNW-QGZVFWFLSA-N 1 1 319.445 3.396 20 10 DGCDMO C[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H]1CCOC1 ZINC000809566841 626920963 /nfs/dbraw/zinc/92/09/63/626920963.db2.gz UBKUFPSSXUPYPS-HXUWFJFHSA-N 1 1 322.452 3.470 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](CC2CCC2)[C@H](C)CO)c1O ZINC000809665495 626934767 /nfs/dbraw/zinc/93/47/67/626934767.db2.gz VBXLBXRSYJEAHY-LLVKDONJSA-N 1 1 313.825 3.037 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c(O)c1 ZINC000809700705 626938772 /nfs/dbraw/zinc/93/87/72/626938772.db2.gz MWNAIOJHIWETMY-GDBMZVCRSA-N 1 1 307.434 3.306 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCOc3cc(O)ccc3C2)c1O ZINC000809704515 626939146 /nfs/dbraw/zinc/93/91/46/626939146.db2.gz BGKZFARVMVISMF-UHFFFAOYSA-N 1 1 319.788 3.454 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCOc3cc(O)ccc3C2)c1O ZINC000809704515 626939148 /nfs/dbraw/zinc/93/91/48/626939148.db2.gz BGKZFARVMVISMF-UHFFFAOYSA-N 1 1 319.788 3.454 20 10 DGCDMO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c(O)ccc(Cl)c1F ZINC000809703677 626939523 /nfs/dbraw/zinc/93/95/23/626939523.db2.gz OIFZJOHYJQCPCE-NWDGAFQWSA-N 1 1 312.816 3.243 20 10 DGCDMO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)cc(F)c1O ZINC000809724017 626941898 /nfs/dbraw/zinc/94/18/98/626941898.db2.gz CUKNVMPEOPQTII-IAQYHMDHSA-N 1 1 312.816 3.243 20 10 DGCDMO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c(O)ccc(Cl)c1F ZINC000809724114 626941910 /nfs/dbraw/zinc/94/19/10/626941910.db2.gz DYZXHTPPQUKPCV-FZMZJTMJSA-N 1 1 312.816 3.243 20 10 DGCDMO Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000809753516 626946822 /nfs/dbraw/zinc/94/68/22/626946822.db2.gz VFGCBCAGEZXWBZ-UHFFFAOYSA-N 1 1 311.788 3.212 20 10 DGCDMO Cc1[nH+]ccn1CCC[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000809753516 626946824 /nfs/dbraw/zinc/94/68/24/626946824.db2.gz VFGCBCAGEZXWBZ-UHFFFAOYSA-N 1 1 311.788 3.212 20 10 DGCDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809768069 626950347 /nfs/dbraw/zinc/95/03/47/626950347.db2.gz BJICKYNCINSRST-ZBFHGGJFSA-N 1 1 306.425 3.425 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H](C4CC4)C3)cc2)CC1 ZINC000809786797 626952989 /nfs/dbraw/zinc/95/29/89/626952989.db2.gz LFNDMBJHFQCFGF-IBGZPJMESA-N 1 1 313.489 3.060 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H](C4CC4)C3)cc2)CC1 ZINC000809786797 626952993 /nfs/dbraw/zinc/95/29/93/626952993.db2.gz LFNDMBJHFQCFGF-IBGZPJMESA-N 1 1 313.489 3.060 20 10 DGCDMO Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C2 ZINC000810259515 626994116 /nfs/dbraw/zinc/99/41/16/626994116.db2.gz KLSOKKBRPXQNFJ-WFASDCNBSA-N 1 1 301.361 3.494 20 10 DGCDMO COc1ccc(C[NH2+][C@@H](C)c2c(O)cccc2F)cc1OC ZINC000886489708 627152425 /nfs/dbraw/zinc/15/24/25/627152425.db2.gz PABUDAQEKBVHLX-NSHDSACASA-N 1 1 305.349 3.399 20 10 DGCDMO C[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1c(O)cccc1F ZINC000886509031 627154640 /nfs/dbraw/zinc/15/46/40/627154640.db2.gz XWCOPKKRIAKOCZ-WFASDCNBSA-N 1 1 305.397 3.493 20 10 DGCDMO C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1c(O)cccc1F ZINC000886508550 627154674 /nfs/dbraw/zinc/15/46/74/627154674.db2.gz DPHBTLTUURYHPR-GFCCVEGCSA-N 1 1 308.397 3.021 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1c(O)cccc1F ZINC000886511326 627155043 /nfs/dbraw/zinc/15/50/43/627155043.db2.gz QKPLTMOLYRFULZ-UKRRQHHQSA-N 1 1 303.377 3.033 20 10 DGCDMO COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886522429 627156833 /nfs/dbraw/zinc/15/68/33/627156833.db2.gz JABXLQODTNEFFH-GFCCVEGCSA-N 1 1 304.365 3.403 20 10 DGCDMO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886532917 627158282 /nfs/dbraw/zinc/15/82/82/627158282.db2.gz RAHGSIYKDTXRPN-CMPLNLGQSA-N 1 1 305.397 3.163 20 10 DGCDMO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2c(O)cccc2F)C1 ZINC000886536706 627158801 /nfs/dbraw/zinc/15/88/01/627158801.db2.gz NNEQOQHOPMIXCE-NJKWTTEGSA-N 1 1 313.438 3.262 20 10 DGCDMO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2c(O)cccc2F)C1 ZINC000886536707 627159025 /nfs/dbraw/zinc/15/90/25/627159025.db2.gz NNEQOQHOPMIXCE-WPGAZNDASA-N 1 1 313.438 3.262 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1c(O)cccc1F ZINC000886550435 627161533 /nfs/dbraw/zinc/16/15/33/627161533.db2.gz ZTVASUZNRBXMMG-OTYXRUKQSA-N 1 1 311.303 3.194 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1c(O)cccc1F ZINC000886609231 627172675 /nfs/dbraw/zinc/17/26/75/627172675.db2.gz OYCGJHMCVTWPOW-AMXDTQDGSA-N 1 1 321.417 3.261 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1c(O)cccc1F ZINC000886632853 627177119 /nfs/dbraw/zinc/17/71/19/627177119.db2.gz HRXXXQSEOOIPJQ-XHDPSFHLSA-N 1 1 314.360 3.135 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1c(O)cccc1F ZINC000886632850 627177409 /nfs/dbraw/zinc/17/74/09/627177409.db2.gz HRXXXQSEOOIPJQ-ABAIWWIYSA-N 1 1 314.360 3.135 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1c(O)cccc1F ZINC000886637611 627177699 /nfs/dbraw/zinc/17/76/99/627177699.db2.gz ASAZSCZOWCVIGZ-NOLJZWGESA-N 1 1 317.408 3.327 20 10 DGCDMO C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1c(O)cccc1F ZINC000886642054 627178725 /nfs/dbraw/zinc/17/87/25/627178725.db2.gz ZCGCVMSXEWYIKK-CABZTGNLSA-N 1 1 317.286 3.182 20 10 DGCDMO CC(C)[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)[C@H](O)C(F)(F)F ZINC000886644381 627178883 /nfs/dbraw/zinc/17/88/83/627178883.db2.gz BNMYGASAEOIUKK-HJIKLVIJSA-N 1 1 309.303 3.130 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1c(O)cccc1F ZINC000886643283 627179041 /nfs/dbraw/zinc/17/90/41/627179041.db2.gz QBSVWYRPXGFAMX-IAQYHMDHSA-N 1 1 314.360 3.009 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1c(O)cccc1F ZINC000886650531 627180848 /nfs/dbraw/zinc/18/08/48/627180848.db2.gz YMWQVBUZASCYHZ-LLVKDONJSA-N 1 1 316.376 3.362 20 10 DGCDMO C[C@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1c(O)cccc1F ZINC000886650532 627180981 /nfs/dbraw/zinc/18/09/81/627180981.db2.gz YMWQVBUZASCYHZ-NSHDSACASA-N 1 1 316.376 3.362 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1O ZINC000886676693 627187432 /nfs/dbraw/zinc/18/74/32/627187432.db2.gz KSJLYGLJCDEJKT-DOTOQJQBSA-N 1 1 321.367 3.315 20 10 DGCDMO CO[C@H]1CC[N@H+](Cc2cccc(Br)c2O)[C@@H](C)C1 ZINC000302276894 627317107 /nfs/dbraw/zinc/31/71/07/627317107.db2.gz BJDPUBUFIHERKU-JQWIXIFHSA-N 1 1 314.223 3.154 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)[C@@H](C)C1 ZINC000302276894 627317109 /nfs/dbraw/zinc/31/71/09/627317109.db2.gz BJDPUBUFIHERKU-JQWIXIFHSA-N 1 1 314.223 3.154 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000811781143 627321495 /nfs/dbraw/zinc/32/14/95/627321495.db2.gz YYTZGTAXFNGBIV-RHSMWYFYSA-N 1 1 305.418 3.099 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000811781145 627321748 /nfs/dbraw/zinc/32/17/48/627321748.db2.gz YYTZGTAXFNGBIV-WMLDXEAASA-N 1 1 305.418 3.099 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@H]1[C@@H]1CCCO1)CCC2 ZINC000811791954 627322783 /nfs/dbraw/zinc/32/27/83/627322783.db2.gz KOKILQUODSREPC-RBUKOAKNSA-N 1 1 313.441 3.414 20 10 DGCDMO CC[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCOC1 ZINC000812297018 627368429 /nfs/dbraw/zinc/36/84/29/627368429.db2.gz VZTWMPNHDNJGKF-CQSZACIVSA-N 1 1 307.434 3.309 20 10 DGCDMO CC(C)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1(CO)CCC1 ZINC000814171654 627546075 /nfs/dbraw/zinc/54/60/75/627546075.db2.gz SQERPBFWOKQZNL-OAHLLOKOSA-N 1 1 315.816 3.462 20 10 DGCDMO CC(C)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1(CO)CCC1 ZINC000814171653 627546089 /nfs/dbraw/zinc/54/60/89/627546089.db2.gz SQERPBFWOKQZNL-HNNXBMFYSA-N 1 1 315.816 3.462 20 10 DGCDMO CN1CCN(c2ccc(C[NH+](C3CCC3)C3CCC3)cc2)CC1 ZINC000814177523 627546421 /nfs/dbraw/zinc/54/64/21/627546421.db2.gz FSPCMQSIMNXKQW-UHFFFAOYSA-N 1 1 313.489 3.345 20 10 DGCDMO CN1C[C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)[C@@H]2C1 ZINC000814172898 627546646 /nfs/dbraw/zinc/54/66/46/627546646.db2.gz CUFPUAUJNNVWDJ-IEBWSBKVSA-N 1 1 308.425 3.195 20 10 DGCDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000814178711 627547221 /nfs/dbraw/zinc/54/72/21/627547221.db2.gz AMIKONNOFACMNM-QGZVFWFLSA-N 1 1 320.502 3.098 20 10 DGCDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000814178710 627547249 /nfs/dbraw/zinc/54/72/49/627547249.db2.gz AMIKONNOFACMNM-KRWDZBQOSA-N 1 1 320.502 3.098 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)ccc1N(C)C ZINC000815021819 627617499 /nfs/dbraw/zinc/61/74/99/627617499.db2.gz UHSHBUDFUSJRKL-QGZVFWFLSA-N 1 1 312.461 3.174 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)ccc1N(C)C ZINC000815062151 627621373 /nfs/dbraw/zinc/62/13/73/627621373.db2.gz GOXNUTWUMIFEDN-KRWDZBQOSA-N 1 1 311.429 3.109 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@H](c3nccn3C)C2)ccc1N(C)C ZINC000815101558 627626883 /nfs/dbraw/zinc/62/68/83/627626883.db2.gz AAWHTIFMYDRCBS-KRWDZBQOSA-N 1 1 312.461 3.174 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000815118809 627629992 /nfs/dbraw/zinc/62/99/92/627629992.db2.gz MEZKCOCZNUQXLS-QGZVFWFLSA-N 1 1 318.852 3.440 20 10 DGCDMO CCN(C)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000815118357 627630074 /nfs/dbraw/zinc/63/00/74/627630074.db2.gz VGFVMNMMPLGDPL-DFNIBXOVSA-N 1 1 301.478 3.200 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000815118357 627630078 /nfs/dbraw/zinc/63/00/78/627630078.db2.gz VGFVMNMMPLGDPL-DFNIBXOVSA-N 1 1 301.478 3.200 20 10 DGCDMO CCN(C)c1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000815118357 627630080 /nfs/dbraw/zinc/63/00/80/627630080.db2.gz VGFVMNMMPLGDPL-DFNIBXOVSA-N 1 1 301.478 3.200 20 10 DGCDMO CCN(C)c1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000815118357 627630083 /nfs/dbraw/zinc/63/00/83/627630083.db2.gz VGFVMNMMPLGDPL-DFNIBXOVSA-N 1 1 301.478 3.200 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CC[C@H](N3CCCC3)[C@@H]2C)cc1 ZINC000815118161 627630183 /nfs/dbraw/zinc/63/01/83/627630183.db2.gz LALUBYPZQTYZKZ-LPHOPBHVSA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](N3CCCC3)[C@@H]2C)cc1 ZINC000815118161 627630184 /nfs/dbraw/zinc/63/01/84/627630184.db2.gz LALUBYPZQTYZKZ-LPHOPBHVSA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(C)c1ccc(CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000815120663 627630963 /nfs/dbraw/zinc/63/09/63/627630963.db2.gz LQHAQDVPNWTBOC-KRWDZBQOSA-N 1 1 315.505 3.449 20 10 DGCDMO COCC1(CC[NH2+]Cc2c(O)ccc(Cl)c2F)CCC1 ZINC000815147701 627637272 /nfs/dbraw/zinc/63/72/72/627637272.db2.gz CVSWUXUHSSVJIS-UHFFFAOYSA-N 1 1 301.789 3.481 20 10 DGCDMO OC[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)C1CCCCC1 ZINC000815150750 627638097 /nfs/dbraw/zinc/63/80/97/627638097.db2.gz NCIABQYDYLJPNE-LBPRGKRZSA-N 1 1 315.816 3.463 20 10 DGCDMO Cc1cc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)ccc1N(C)C ZINC000815232739 627648115 /nfs/dbraw/zinc/64/81/15/627648115.db2.gz OBQHSWNOABWORZ-LJQANCHMSA-N 1 1 304.478 3.292 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815578312 627686852 /nfs/dbraw/zinc/68/68/52/627686852.db2.gz LWGFLJHDTZDPHS-VXGBXAGGSA-N 1 1 316.367 3.403 20 10 DGCDMO C[C@H]([NH2+]CC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1O ZINC000815615703 627691243 /nfs/dbraw/zinc/69/12/43/627691243.db2.gz VLLAQYQHTGLUNV-QWRGUYRKSA-N 1 1 303.324 3.488 20 10 DGCDMO COCC1(CC[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CCC1 ZINC000815642091 627694269 /nfs/dbraw/zinc/69/42/69/627694269.db2.gz RJUDMKQRZMPFLU-ZDUSSCGKSA-N 1 1 321.417 3.036 20 10 DGCDMO CO[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C1CC1 ZINC000815651679 627694540 /nfs/dbraw/zinc/69/45/40/627694540.db2.gz ZUHLJBFQFUPDGC-TVQRCGJNSA-N 1 1 303.324 3.487 20 10 DGCDMO Oc1cc(F)c(Cl)cc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000816493110 627796143 /nfs/dbraw/zinc/79/61/43/627796143.db2.gz PIPNODFMFXNMLN-CYBMUJFWSA-N 1 1 312.816 3.245 20 10 DGCDMO Oc1cc(F)c(Cl)cc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000816497899 627796980 /nfs/dbraw/zinc/79/69/80/627796980.db2.gz YJOPLQQNURNTIY-ZDUSSCGKSA-N 1 1 312.816 3.245 20 10 DGCDMO OCC[N@H+](CCc1ccccc1)Cc1cc(Cl)c(F)cc1O ZINC000816510622 627799011 /nfs/dbraw/zinc/79/90/11/627799011.db2.gz AXQPUDRLCZQFRB-UHFFFAOYSA-N 1 1 323.795 3.222 20 10 DGCDMO OCC[N@@H+](CCc1ccccc1)Cc1cc(Cl)c(F)cc1O ZINC000816510622 627799014 /nfs/dbraw/zinc/79/90/14/627799014.db2.gz AXQPUDRLCZQFRB-UHFFFAOYSA-N 1 1 323.795 3.222 20 10 DGCDMO CC1CCN(CC[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816535246 627803434 /nfs/dbraw/zinc/80/34/34/627803434.db2.gz JWBWUASYGHKNFQ-UHFFFAOYSA-N 1 1 300.805 3.006 20 10 DGCDMO Cc1ccsc1[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816555099 627806501 /nfs/dbraw/zinc/80/65/01/627806501.db2.gz UFGNNMNTRZAIBL-GFCCVEGCSA-N 1 1 315.797 3.378 20 10 DGCDMO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816559226 627807797 /nfs/dbraw/zinc/80/77/97/627807797.db2.gz BVZBXCNOHOXTTC-YMTOWFKASA-N 1 1 313.756 3.380 20 10 DGCDMO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816568637 627809507 /nfs/dbraw/zinc/80/95/07/627809507.db2.gz MEEUGIJRLVQDPI-AWEZNQCLSA-N 1 1 303.761 3.006 20 10 DGCDMO COc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c(O)c1 ZINC000816597128 627812837 /nfs/dbraw/zinc/81/28/37/627812837.db2.gz FSMCBSKBPWHRNB-UHFFFAOYSA-N 1 1 311.740 3.189 20 10 DGCDMO OCC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816599772 627813674 /nfs/dbraw/zinc/81/36/74/627813674.db2.gz XYGWVIYBBCSUKK-CQSZACIVSA-N 1 1 323.795 3.268 20 10 DGCDMO Oc1c(C[NH+]2CC(O)(c3ccc(F)cc3)C2)ccc2ccccc21 ZINC000816600808 627813717 /nfs/dbraw/zinc/81/37/17/627813717.db2.gz IFITVVYQQXLFAA-UHFFFAOYSA-N 1 1 323.367 3.388 20 10 DGCDMO COC(=O)c1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816610441 627814983 /nfs/dbraw/zinc/81/49/83/627814983.db2.gz KLQWXCXKXIYWML-UHFFFAOYSA-N 1 1 323.751 3.261 20 10 DGCDMO COC[C@@H]1CC[N@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000816636610 627817103 /nfs/dbraw/zinc/81/71/03/627817103.db2.gz CBQHKSVKPQGYNN-FQEVSTJZSA-N 1 1 322.452 3.470 20 10 DGCDMO C[N@@H+]1CCC[C@@]2(CCN(Cc3c(O)ccc(Cl)c3F)C2)C1 ZINC000816642123 627818097 /nfs/dbraw/zinc/81/80/97/627818097.db2.gz PXXJBLILHPWFCE-MRXNPFEDSA-N 1 1 312.816 3.102 20 10 DGCDMO C[N@H+]1CCC[C@@]2(CCN(Cc3c(O)ccc(Cl)c3F)C2)C1 ZINC000816642123 627818103 /nfs/dbraw/zinc/81/81/03/627818103.db2.gz PXXJBLILHPWFCE-MRXNPFEDSA-N 1 1 312.816 3.102 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@H]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000816665215 627822201 /nfs/dbraw/zinc/82/22/01/627822201.db2.gz XSDAAVQZICFUFB-GFCCVEGCSA-N 1 1 308.378 3.225 20 10 DGCDMO C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1cc(Cl)c(Cl)cc1O ZINC000817586193 627926844 /nfs/dbraw/zinc/92/68/44/627926844.db2.gz LUJRZEGSPKTDIX-MRVPVSSYSA-N 1 1 317.216 3.005 20 10 DGCDMO CC1CCN(c2ccc(C[NH2+][C@@H]3CNCC[C@H]3C)cc2)CC1 ZINC000817902783 627957114 /nfs/dbraw/zinc/95/71/14/627957114.db2.gz YEEROIXBQJRKQY-VQIMIIECSA-N 1 1 301.478 3.011 20 10 DGCDMO COc1ccc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938359 627966793 /nfs/dbraw/zinc/96/67/93/627966793.db2.gz JKJVGUQYRRGWMK-AUUYWEPGSA-N 1 1 313.445 3.112 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1F ZINC000817938909 627967284 /nfs/dbraw/zinc/96/72/84/627967284.db2.gz VJRQUPQGMVRSTA-SCLBCKFNSA-N 1 1 301.409 3.242 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000817938853 627967683 /nfs/dbraw/zinc/96/76/83/627967683.db2.gz UOKSLRNVTCGJMM-MOPGFXCFSA-N 1 1 313.420 3.169 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCCc3sccc32)cc1 ZINC000817938749 627967887 /nfs/dbraw/zinc/96/78/87/627967887.db2.gz RHCNELAYAHIGIU-IAGOWNOFSA-N 1 1 315.486 3.481 20 10 DGCDMO CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817942030 627968377 /nfs/dbraw/zinc/96/83/77/627968377.db2.gz WBUZWFWTQKGDPI-GWCFXTLKSA-N 1 1 303.233 3.492 20 10 DGCDMO CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817961365 627975827 /nfs/dbraw/zinc/97/58/27/627975827.db2.gz XTUKCSVSHFUNTJ-OLZOCXBDSA-N 1 1 303.233 3.477 20 10 DGCDMO CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817961225 627975850 /nfs/dbraw/zinc/97/58/50/627975850.db2.gz VOKZYOFCBJWJSA-NWDGAFQWSA-N 1 1 303.233 3.477 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(F)cc1O ZINC000927015943 627997907 /nfs/dbraw/zinc/99/79/07/627997907.db2.gz RTKVIWWDSMNCFA-HOCLYGCPSA-N 1 1 323.408 3.300 20 10 DGCDMO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000818358308 628018316 /nfs/dbraw/zinc/01/83/16/628018316.db2.gz UDBUAKNICLKOEJ-VHSXEESVSA-N 1 1 306.387 3.047 20 10 DGCDMO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000822526241 628461336 /nfs/dbraw/zinc/46/13/36/628461336.db2.gz RWXQTFMWIOEACE-IAGOWNOFSA-N 1 1 321.779 3.493 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000822530081 628462135 /nfs/dbraw/zinc/46/21/35/628462135.db2.gz PMYXOLDIISQTQK-GOSISDBHSA-N 1 1 317.429 3.182 20 10 DGCDMO Oc1ccccc1C[N@@H+](Cc1ccncc1F)C[C@@H]1CCCO1 ZINC000823387061 628554861 /nfs/dbraw/zinc/55/48/61/628554861.db2.gz SZOITVAIJJJMCY-INIZCTEOSA-N 1 1 316.376 3.108 20 10 DGCDMO Oc1ccccc1C[N@H+](Cc1ccncc1F)C[C@@H]1CCCO1 ZINC000823387061 628554863 /nfs/dbraw/zinc/55/48/63/628554863.db2.gz SZOITVAIJJJMCY-INIZCTEOSA-N 1 1 316.376 3.108 20 10 DGCDMO C[N@@H+](Cc1cnc2n1CCC2)Cc1ccc(N2CCCCC2)cc1 ZINC000824474228 628663919 /nfs/dbraw/zinc/66/39/19/628663919.db2.gz KTVNPRUOCHPLFH-UHFFFAOYSA-N 1 1 324.472 3.452 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](Cc2cnc3n2CCC3)C2CC2)cc1 ZINC000824555291 628670768 /nfs/dbraw/zinc/67/07/68/628670768.db2.gz DKYQHUBDKXQVBT-UHFFFAOYSA-N 1 1 310.445 3.060 20 10 DGCDMO CS[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000824683864 628683355 /nfs/dbraw/zinc/68/33/55/628683355.db2.gz XUAVEUUHOUGPPQ-SNVBAGLBSA-N 1 1 302.237 3.092 20 10 DGCDMO CS[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000824683864 628683359 /nfs/dbraw/zinc/68/33/59/628683359.db2.gz XUAVEUUHOUGPPQ-SNVBAGLBSA-N 1 1 302.237 3.092 20 10 DGCDMO CS[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000824683864 628683362 /nfs/dbraw/zinc/68/33/62/628683362.db2.gz XUAVEUUHOUGPPQ-SNVBAGLBSA-N 1 1 302.237 3.092 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(O)c1 ZINC000824695985 628684400 /nfs/dbraw/zinc/68/44/00/628684400.db2.gz GAICKJIQYSVATA-KURKYZTESA-N 1 1 319.445 3.306 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)CC(C)(C)O)c1 ZINC000824702804 628684845 /nfs/dbraw/zinc/68/48/45/628684845.db2.gz QNNKNABSQWBTFZ-JTQLQIEISA-N 1 1 316.239 3.102 20 10 DGCDMO CO[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C[C@H]1C ZINC000824814618 628696945 /nfs/dbraw/zinc/69/69/45/628696945.db2.gz BVYWRTIMJRFLGC-MFKMUULPSA-N 1 1 314.223 3.012 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C[C@H]1C ZINC000824814618 628696947 /nfs/dbraw/zinc/69/69/47/628696947.db2.gz BVYWRTIMJRFLGC-MFKMUULPSA-N 1 1 314.223 3.012 20 10 DGCDMO C[N@@H+](CCOCC1CC1)Cc1ccc(Br)cc1O ZINC000824901758 628704305 /nfs/dbraw/zinc/70/43/05/628704305.db2.gz MWBUMANOAHVSCQ-UHFFFAOYSA-N 1 1 314.223 3.013 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)cc1Cl ZINC000824913256 628705744 /nfs/dbraw/zinc/70/57/44/628705744.db2.gz NBELEVOYHVTXDH-DZGCQCFKSA-N 1 1 313.850 3.060 20 10 DGCDMO COc1cc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC000824920213 628706337 /nfs/dbraw/zinc/70/63/37/628706337.db2.gz HYDMPWAVUUGECR-SUMWQHHRSA-N 1 1 321.461 3.291 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)c1O ZINC000825104256 628727913 /nfs/dbraw/zinc/72/79/13/628727913.db2.gz SCXGJLZVQBKGLU-HOTGVXAUSA-N 1 1 305.418 3.180 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825439467 628761588 /nfs/dbraw/zinc/76/15/88/628761588.db2.gz CXAQSRVFQKCRHE-ZDUSSCGKSA-N 1 1 323.400 3.155 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@H](O)C(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC000825629024 628778776 /nfs/dbraw/zinc/77/87/76/628778776.db2.gz 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O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)ccc1N1CCCCC1 ZINC000827507011 628965907 /nfs/dbraw/zinc/96/59/07/628965907.db2.gz RBJFPPPUDLILIG-HOTGVXAUSA-N 1 1 315.417 3.427 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000827627008 628977975 /nfs/dbraw/zinc/97/79/75/628977975.db2.gz LUFUZIFZHYOPIY-CYBMUJFWSA-N 1 1 320.389 3.321 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000827627008 628977978 /nfs/dbraw/zinc/97/79/78/628977978.db2.gz LUFUZIFZHYOPIY-CYBMUJFWSA-N 1 1 320.389 3.321 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000827715082 628984605 /nfs/dbraw/zinc/98/46/05/628984605.db2.gz HGNSKDYWMGMBFZ-SFHVURJKSA-N 1 1 320.383 3.162 20 10 DGCDMO Cc1cc(C[N@@H+](C)CCn2cccn2)ccc1N1CCCCC1 ZINC000827797236 628992556 /nfs/dbraw/zinc/99/25/56/628992556.db2.gz CNUGUEOXBDFBNE-UHFFFAOYSA-N 1 1 312.461 3.314 20 10 DGCDMO COc1cc(C[N@@H+](C)C2(CO)CCC2)c(O)c(C(C)(C)C)c1 ZINC000827904151 629002146 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C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(N)nc1 ZINC000843059508 630609879 /nfs/dbraw/zinc/60/98/79/630609879.db2.gz NILUNWQNDDKQRW-UHFFFAOYSA-N 1 1 310.445 3.286 20 10 DGCDMO [NH3+]CC[N@H+](CCc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000843121941 630615561 /nfs/dbraw/zinc/61/55/61/630615561.db2.gz MBMYCDQTACWEFO-UHFFFAOYSA-N 1 1 304.821 3.049 20 10 DGCDMO [NH3+]CC[N@@H+](CCc1ccccc1)Cc1cccc(Cl)c1[O-] ZINC000843121941 630615563 /nfs/dbraw/zinc/61/55/63/630615563.db2.gz MBMYCDQTACWEFO-UHFFFAOYSA-N 1 1 304.821 3.049 20 10 DGCDMO [NH3+]C[C@H]1c2ccccc2CCN1Cc1cc(Cl)cc(F)c1O ZINC000843129618 630617678 /nfs/dbraw/zinc/61/76/78/630617678.db2.gz QMDLBTOFOTZJIO-INIZCTEOSA-N 1 1 320.795 3.243 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1O ZINC000843416372 630654264 /nfs/dbraw/zinc/65/42/64/630654264.db2.gz QDWJGYHDIJPRNP-KRWDZBQOSA-N 1 1 313.397 3.444 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1O ZINC000843418767 630654969 /nfs/dbraw/zinc/65/49/69/630654969.db2.gz YINNRCKXHJNDPE-HNNXBMFYSA-N 1 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/nfs/dbraw/zinc/83/62/18/630836218.db2.gz URRYGCUVIUXBLL-OAHLLOKOSA-N 1 1 313.344 3.031 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccc(F)nc2C)cc1 ZINC000846052898 631208424 /nfs/dbraw/zinc/20/84/24/631208424.db2.gz UQHYJLZVDBHMOU-UHFFFAOYSA-N 1 1 317.408 3.106 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)OCC23CCC3)c1O ZINC000846067662 631209021 /nfs/dbraw/zinc/20/90/21/631209021.db2.gz VWYFLEMEYYINRT-LLVKDONJSA-N 1 1 311.809 3.198 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)OCC23CCC3)c1O ZINC000846067662 631209022 /nfs/dbraw/zinc/20/90/22/631209022.db2.gz VWYFLEMEYYINRT-LLVKDONJSA-N 1 1 311.809 3.198 20 10 DGCDMO Cc1cc(Br)cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000846111292 631210122 /nfs/dbraw/zinc/21/01/22/631210122.db2.gz LDFVTGDJBIXGOB-PHIMTYICSA-N 1 1 318.161 3.160 20 10 DGCDMO COc1cccc([C@@H](C)NC[C@H](C(C)C)[NH+]2CCCC2)c1O ZINC000846138621 631211407 /nfs/dbraw/zinc/21/14/07/631211407.db2.gz LSQXLWMMBXQIPX-GDBMZVCRSA-N 1 1 306.450 3.172 20 10 DGCDMO COc1cccc([C@H](C)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1O ZINC000846143611 631211956 /nfs/dbraw/zinc/21/19/56/631211956.db2.gz JWOGBGDGYNTWBL-FPCVCCKLSA-N 1 1 320.477 3.418 20 10 DGCDMO C[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccccc1F ZINC000846182954 631213824 /nfs/dbraw/zinc/21/38/24/631213824.db2.gz MLNQALDGMLFLKU-DINDLPBHSA-N 1 1 307.340 3.443 20 10 DGCDMO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(C(F)(F)F)c1O ZINC000846190499 631214455 /nfs/dbraw/zinc/21/44/55/631214455.db2.gz QNMJKFAVMQBFBY-ZFWZSOMGSA-N 1 1 301.308 3.382 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@H]2CCCn3ccnc32)cc1F ZINC000848527856 631678796 /nfs/dbraw/zinc/67/87/96/631678796.db2.gz GJDAYZQYLSRHIR-INIZCTEOSA-N 1 1 316.424 3.493 20 10 DGCDMO COCC1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000848560631 631692997 /nfs/dbraw/zinc/69/29/97/631692997.db2.gz IEEQTVJDEIWOQQ-JTQLQIEISA-N 1 1 303.324 3.488 20 10 DGCDMO CC1(C)CCCN(c2cc[nH+]c(NCc3ccccc3O)n2)C1 ZINC000848661060 631721770 /nfs/dbraw/zinc/72/17/70/631721770.db2.gz QODLOLSZZCGCIK-UHFFFAOYSA-N 1 1 312.417 3.421 20 10 DGCDMO CCc1cccc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1O ZINC000848879744 631768141 /nfs/dbraw/zinc/76/81/41/631768141.db2.gz AZNJYCIHKLANAE-UHFFFAOYSA-N 1 1 313.397 3.358 20 10 DGCDMO CCc1cccc(C[N@@H+]2CCCC[C@@H]2c2nc(C)no2)c1O ZINC000848911828 631783941 /nfs/dbraw/zinc/78/39/41/631783941.db2.gz ZSDPGNJORTYQCM-OAHLLOKOSA-N 1 1 301.390 3.373 20 10 DGCDMO CCc1cccc(C[N@H+]2CCCC[C@@H]2c2nc(C)no2)c1O ZINC000848911828 631783946 /nfs/dbraw/zinc/78/39/46/631783946.db2.gz ZSDPGNJORTYQCM-OAHLLOKOSA-N 1 1 301.390 3.373 20 10 DGCDMO C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)OC(C)(C)C ZINC000848925927 631791409 /nfs/dbraw/zinc/79/14/09/631791409.db2.gz IIASLYQWRLIISY-SECBINFHSA-N 1 1 317.788 3.252 20 10 DGCDMO COc1ccc(C[NH2+][C@@H]2CNCC[C@@H]2c2ccccc2)cc1C ZINC000849350118 631900618 /nfs/dbraw/zinc/90/06/18/631900618.db2.gz QJUFHESRTCACNN-RTBURBONSA-N 1 1 310.441 3.239 20 10 DGCDMO COc1cc(CNCC[N@H+](C)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850113627 632059479 /nfs/dbraw/zinc/05/94/79/632059479.db2.gz OYTCQWYOGGCBKN-UHFFFAOYSA-N 1 1 308.466 3.128 20 10 DGCDMO COc1cc(CNCC[N@@H+](C)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850113627 632059485 /nfs/dbraw/zinc/05/94/85/632059485.db2.gz OYTCQWYOGGCBKN-UHFFFAOYSA-N 1 1 308.466 3.128 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850373179 632130019 /nfs/dbraw/zinc/13/00/19/632130019.db2.gz DHGBBTYOSHMBKS-ZFWWWQNUSA-N 1 1 307.752 3.453 20 10 DGCDMO COc1ccnc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1F ZINC000850381138 632134037 /nfs/dbraw/zinc/13/40/37/632134037.db2.gz VBLUWQUZGUQJNZ-PLNGDYQASA-N 1 1 315.392 3.098 20 10 DGCDMO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850412446 632144281 /nfs/dbraw/zinc/14/42/81/632144281.db2.gz XYYUFJZNHHOSAB-BZNIZROVSA-N 1 1 323.795 3.439 20 10 DGCDMO C[C@@H](O)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000850421570 632147814 /nfs/dbraw/zinc/14/78/14/632147814.db2.gz YTUDSRGPXOKKBV-HWPZZCPQSA-N 1 1 309.768 3.396 20 10 DGCDMO COC[C@H](CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)OC ZINC000850485374 632167153 /nfs/dbraw/zinc/16/71/53/632167153.db2.gz GOWMLXSDYWSEOU-UWVGGRQHSA-N 1 1 322.232 3.401 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(F)cc1O ZINC000850500669 632172456 /nfs/dbraw/zinc/17/24/56/632172456.db2.gz GEFDUHNTRAYYPY-QSKNSHDSSA-N 1 1 313.438 3.262 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1cc(F)cc(F)c1O ZINC000850500816 632172491 /nfs/dbraw/zinc/17/24/91/632172491.db2.gz GOUKJJDWISMHAW-PSDDUVHUSA-N 1 1 317.401 3.011 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(Cl)cc1O ZINC000850501349 632173283 /nfs/dbraw/zinc/17/32/83/632173283.db2.gz AJUGCRBCDVZJAI-IUNRRVLSSA-N 1 1 315.866 3.386 20 10 DGCDMO COc1ccc(O)c([C@@H](C)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000850537888 632186165 /nfs/dbraw/zinc/18/61/65/632186165.db2.gz AVRUUCKBDNQMQE-HUUCEWRRSA-N 1 1 318.461 3.458 20 10 DGCDMO COc1ccc(O)c([C@@H](C)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000850537888 632186172 /nfs/dbraw/zinc/18/61/72/632186172.db2.gz AVRUUCKBDNQMQE-HUUCEWRRSA-N 1 1 318.461 3.458 20 10 DGCDMO COc1ccnc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1F ZINC000850536111 632186269 /nfs/dbraw/zinc/18/62/69/632186269.db2.gz CKQIGMHCAAXDRY-LBPRGKRZSA-N 1 1 303.381 3.146 20 10 DGCDMO COc1cccc([C@@H](C)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1O ZINC000850538663 632186721 /nfs/dbraw/zinc/18/67/21/632186721.db2.gz JQIFLJISWVTSLR-CABCVRRESA-N 1 1 318.461 3.458 20 10 DGCDMO COc1cccc([C@@H](C)N[C@H]2CC[N@H+](C3CCCCC3)C2)c1O ZINC000850538663 632186727 /nfs/dbraw/zinc/18/67/27/632186727.db2.gz JQIFLJISWVTSLR-CABCVRRESA-N 1 1 318.461 3.458 20 10 DGCDMO COc1cccc([C@H](C)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1O ZINC000850538666 632186936 /nfs/dbraw/zinc/18/69/36/632186936.db2.gz JQIFLJISWVTSLR-LSDHHAIUSA-N 1 1 318.461 3.458 20 10 DGCDMO COc1cccc([C@H](C)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1O ZINC000850538666 632186938 /nfs/dbraw/zinc/18/69/38/632186938.db2.gz JQIFLJISWVTSLR-LSDHHAIUSA-N 1 1 318.461 3.458 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc(F)cc1O ZINC000850540051 632187040 /nfs/dbraw/zinc/18/70/40/632187040.db2.gz HVWXUHKFVNJQMK-DXCKQFNASA-N 1 1 317.408 3.327 20 10 DGCDMO COc1cccc([C@@H](C)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1O ZINC000850538665 632187068 /nfs/dbraw/zinc/18/70/68/632187068.db2.gz JQIFLJISWVTSLR-HUUCEWRRSA-N 1 1 318.461 3.458 20 10 DGCDMO COc1cccc([C@@H](C)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1O ZINC000850538665 632187071 /nfs/dbraw/zinc/18/70/71/632187071.db2.gz JQIFLJISWVTSLR-HUUCEWRRSA-N 1 1 318.461 3.458 20 10 DGCDMO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2O)c(Cl)c1 ZINC000109769553 632316235 /nfs/dbraw/zinc/31/62/35/632316235.db2.gz OKWGRUGHMSLTHR-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2O)c(Cl)c1 ZINC000109769553 632316237 /nfs/dbraw/zinc/31/62/37/632316237.db2.gz OKWGRUGHMSLTHR-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1ccccc1O ZINC000109770782 632316544 /nfs/dbraw/zinc/31/65/44/632316544.db2.gz DWCRJUDRVVADKT-LLVKDONJSA-N 1 1 320.339 3.129 20 10 DGCDMO CC[N@H+](Cc1cc(OC)ns1)Cc1ccc(N(C)C)cc1 ZINC000851721454 632475646 /nfs/dbraw/zinc/47/56/46/632475646.db2.gz LEXAORZTVCTDSA-UHFFFAOYSA-N 1 1 305.447 3.240 20 10 DGCDMO CC[N@@H+](Cc1cc(OC)ns1)Cc1ccc(N(C)C)cc1 ZINC000851721454 632475648 /nfs/dbraw/zinc/47/56/48/632475648.db2.gz LEXAORZTVCTDSA-UHFFFAOYSA-N 1 1 305.447 3.240 20 10 DGCDMO CCC[N@@H+](CCCC(=O)NCC(C)C)Cc1ccccc1O ZINC000851791832 632494223 /nfs/dbraw/zinc/49/42/23/632494223.db2.gz HDVHCAOZMYVLKT-UHFFFAOYSA-N 1 1 306.450 3.157 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1 ZINC000184789120 660186418 /nfs/dbraw/zinc/18/64/18/660186418.db2.gz YLTAHMAMOOHOTE-LJQANCHMSA-N 1 1 311.425 3.474 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cc2c(cc1O)CCCC2 ZINC000185404174 660221502 /nfs/dbraw/zinc/22/15/02/660221502.db2.gz IHJHDYDQWAYAPQ-LSDHHAIUSA-N 1 1 302.462 3.263 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)c1 ZINC000185471904 660224776 /nfs/dbraw/zinc/22/47/76/660224776.db2.gz KFZVRNIXLPBTBC-DYVFJYSZSA-N 1 1 308.466 3.418 20 10 DGCDMO Cc1cc(F)ccc1C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000792707522 660981003 /nfs/dbraw/zinc/98/10/03/660981003.db2.gz OXLCPGGDIHFSSM-UHFFFAOYSA-N 1 1 303.333 3.200 20 10 DGCDMO CN(C)c1ccc(C[NH+]2CCSCC2)c(C(F)(F)F)c1 ZINC000792779055 660984129 /nfs/dbraw/zinc/98/41/29/660984129.db2.gz YYTVUHKTDBBRMJ-UHFFFAOYSA-N 1 1 304.381 3.320 20 10 DGCDMO COCCC[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792795955 660985235 /nfs/dbraw/zinc/98/52/35/660985235.db2.gz LFMIKVRIWROAFX-UHFFFAOYSA-N 1 1 304.356 3.240 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@@H](C)O ZINC000792810745 660986138 /nfs/dbraw/zinc/98/61/38/660986138.db2.gz XQTKRMJEOUMJRQ-GFCCVEGCSA-N 1 1 318.383 3.363 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1OC ZINC000793232572 661015724 /nfs/dbraw/zinc/01/57/24/661015724.db2.gz YUPALNDFGJAHJW-GXSJLCMTSA-N 1 1 319.323 3.182 20 10 DGCDMO Cc1ccc(C[N@@H+](CCO)Cc2cc(Cl)cc(C)c2O)o1 ZINC000793367340 661027648 /nfs/dbraw/zinc/02/76/48/661027648.db2.gz ZHIBYMSBSBRZEE-UHFFFAOYSA-N 1 1 309.793 3.250 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000793744006 661054976 /nfs/dbraw/zinc/05/49/76/661054976.db2.gz PDNPIWUBWYXWHQ-MRXNPFEDSA-N 1 1 312.413 3.189 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1C(C)C ZINC000794707406 661100095 /nfs/dbraw/zinc/10/00/95/661100095.db2.gz RWIORVCONDVEOQ-HNAYVOBHSA-N 1 1 319.445 3.204 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1C(C)C ZINC000794707404 661100465 /nfs/dbraw/zinc/10/04/65/661100465.db2.gz RWIORVCONDVEOQ-BEFAXECRSA-N 1 1 319.445 3.204 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246894844 655553040 /nfs/dbraw/zinc/55/30/40/655553040.db2.gz UECOEFAOGXPMQS-PXNSSMCTSA-N 1 1 313.489 3.201 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246894844 655553043 /nfs/dbraw/zinc/55/30/43/655553043.db2.gz UECOEFAOGXPMQS-PXNSSMCTSA-N 1 1 313.489 3.201 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](OCCC(C)C)C2)cc1OC ZINC000160373242 655626271 /nfs/dbraw/zinc/62/62/71/655626271.db2.gz ZFHJIWRNIXSPFO-OAHLLOKOSA-N 1 1 323.433 3.046 20 10 DGCDMO CNC(=O)C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccccc1 ZINC000795848851 661175724 /nfs/dbraw/zinc/17/57/24/661175724.db2.gz AQFXRANGZNOEEZ-BLLLJJGKSA-N 1 1 316.376 3.059 20 10 DGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@H]2C)c1O ZINC000091859391 655846679 /nfs/dbraw/zinc/84/66/79/655846679.db2.gz KHKWTVBPNFIPAH-NXEZZACHSA-N 1 1 314.223 3.394 20 10 DGCDMO COc1cc(C[N@H+]2CCOC3(CCCCC3)C2)c(O)cc1C ZINC000179445268 655893191 /nfs/dbraw/zinc/89/31/91/655893191.db2.gz NAVGAMPOZGVYQT-UHFFFAOYSA-N 1 1 305.418 3.244 20 10 DGCDMO COC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177284944 655973907 /nfs/dbraw/zinc/97/39/07/655973907.db2.gz JYVSDZRJAIAITL-LBPRGKRZSA-N 1 1 311.809 3.107 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C[NH+](C)C)CC2)c1[O-] ZINC000314913989 656536899 /nfs/dbraw/zinc/53/68/99/656536899.db2.gz IJEBHAXNOYLQLS-UHFFFAOYSA-N 1 1 324.852 3.022 20 10 DGCDMO CCN(CC)c1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000236977054 657031962 /nfs/dbraw/zinc/03/19/62/657031962.db2.gz HRRIENRDMWBKFM-OALUTQOASA-N 1 1 301.478 3.249 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000236977054 657031976 /nfs/dbraw/zinc/03/19/76/657031976.db2.gz HRRIENRDMWBKFM-OALUTQOASA-N 1 1 301.478 3.249 20 10 DGCDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000092093942 657414040 /nfs/dbraw/zinc/41/40/40/657414040.db2.gz MZNCVYJXOVAPLB-OAHLLOKOSA-N 1 1 305.418 3.256 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000320570287 657600990 /nfs/dbraw/zinc/60/09/90/657600990.db2.gz QCPPYHQSWBHYGE-UWVGGRQHSA-N 1 1 315.348 3.113 20 10 DGCDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000305251150 657697727 /nfs/dbraw/zinc/69/77/27/657697727.db2.gz KEMMOOLRUYONFP-DOMZBBRYSA-N 1 1 307.434 3.131 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H](C)Cc2ccccc2OC)c1 ZINC000321976075 658409454 /nfs/dbraw/zinc/40/94/54/658409454.db2.gz BWAZOKZXLPZHCO-AWEZNQCLSA-N 1 1 315.413 3.472 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCC(C)CC2)c1 ZINC000192936810 658813961 /nfs/dbraw/zinc/81/39/61/658813961.db2.gz PKIWZWBOBZBLJD-OAHLLOKOSA-N 1 1 306.450 3.173 20 10 DGCDMO CCN(C)c1ccc([C@H](C)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000157651099 659074345 /nfs/dbraw/zinc/07/43/45/659074345.db2.gz OCNZLAROFHONSN-MAUKXSAKSA-N 1 1 301.478 3.278 20 10 DGCDMO CCN(C)c1ccc([C@H](C)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000157651099 659074347 /nfs/dbraw/zinc/07/43/47/659074347.db2.gz OCNZLAROFHONSN-MAUKXSAKSA-N 1 1 301.478 3.278 20 10 DGCDMO [NH3+]CCCN(Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000230004426 659294439 /nfs/dbraw/zinc/29/44/39/659294439.db2.gz PKEUJVHDJYLACX-UHFFFAOYSA-N 1 1 304.821 3.397 20 10 DGCDMO [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000230004426 659294444 /nfs/dbraw/zinc/29/44/44/659294444.db2.gz PKEUJVHDJYLACX-UHFFFAOYSA-N 1 1 304.821 3.397 20 10 DGCDMO [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000230004426 659294449 /nfs/dbraw/zinc/29/44/49/659294449.db2.gz PKEUJVHDJYLACX-UHFFFAOYSA-N 1 1 304.821 3.397 20 10 DGCDMO CCc1cc(C[N@H+]2CCO[C@@H](COC)C2)c(O)c(C(C)(C)C)c1 ZINC000172920035 659363793 /nfs/dbraw/zinc/36/37/93/659363793.db2.gz QYWFOQHGIUKCGR-MRXNPFEDSA-N 1 1 321.461 3.099 20 10 DGCDMO CC[N@@H+](C)C[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173496096 659389113 /nfs/dbraw/zinc/38/91/13/659389113.db2.gz ANFHAZLQCXBICR-CQSZACIVSA-N 1 1 320.477 3.169 20 10 DGCDMO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC000179586813 659934415 /nfs/dbraw/zinc/93/44/15/659934415.db2.gz KVOIVNBHISWQAN-UHFFFAOYSA-N 1 1 313.397 3.348 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000179704356 659939097 /nfs/dbraw/zinc/93/90/97/659939097.db2.gz 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CCOC(=O)C[C@@](C)([NH2+]Cc1cc(F)cc(F)c1O)C(C)C ZINC001474465948 1183926721 /nfs/dbraw/zinc/92/67/21/1183926721.db2.gz ZWBJSXTYMKVXBO-MRXNPFEDSA-N 1 1 315.360 3.128 20 10 DGCDMO CC[C@@H](C)[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC(=O)OC ZINC001474482318 1183929355 /nfs/dbraw/zinc/92/93/55/1183929355.db2.gz XHARXIAQCBAEAL-ZPIQOJFGSA-N 1 1 304.434 3.039 20 10 DGCDMO CC[C@@H](C)[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CC(=O)OC ZINC001474482318 1183929360 /nfs/dbraw/zinc/92/93/60/1183929360.db2.gz XHARXIAQCBAEAL-ZPIQOJFGSA-N 1 1 304.434 3.039 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@H](C(C)C)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001474521471 1183935131 /nfs/dbraw/zinc/93/51/31/1183935131.db2.gz MJBWEGSUOYQMRD-HIFRSBDPSA-N 1 1 322.405 3.421 20 10 DGCDMO COc1c(O)c(C[N@H+]2C[C@H](C(C)C)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001474521471 1183935133 /nfs/dbraw/zinc/93/51/33/1183935133.db2.gz MJBWEGSUOYQMRD-HIFRSBDPSA-N 1 1 322.405 3.421 20 10 DGCDMO CCOC(=O)[C@@H]1C2CCC(CC2)[N@H+]1Cc1cccc(CC)c1O ZINC001474540503 1183937111 /nfs/dbraw/zinc/93/71/11/1183937111.db2.gz FYJWXZIXKDUFBY-PREGVCBESA-N 1 1 317.429 3.261 20 10 DGCDMO Oc1c(F)cccc1C[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC001474696468 1183963230 /nfs/dbraw/zinc/96/32/30/1183963230.db2.gz FJBTVIYUDHSESY-UHFFFAOYSA-N 1 1 315.373 3.340 20 10 DGCDMO Oc1cccc(F)c1C[NH2+]CC1(c2ccc3c(c2)OCO3)CC1 ZINC001474716315 1183968304 /nfs/dbraw/zinc/96/83/04/1183968304.db2.gz IWVPGRXBMNLTKN-UHFFFAOYSA-N 1 1 315.344 3.081 20 10 DGCDMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1O ZINC001611624380 1193438708 /nfs/dbraw/zinc/43/87/08/1193438708.db2.gz GQBAWBGSQKPUPY-LJHODMEESA-N 1 1 324.424 3.262 20 10 DGCDMO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001560258077 1189300298 /nfs/dbraw/zinc/30/02/98/1189300298.db2.gz SRWNBCFHWKOTJN-AZUAARDMSA-N 1 1 315.505 3.497 20 10 DGCDMO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001560258079 1189300610 /nfs/dbraw/zinc/30/06/10/1189300610.db2.gz SRWNBCFHWKOTJN-QUCCMNQESA-N 1 1 315.505 3.497 20 10 DGCDMO CCc1cc(C[NH2+]Cc2cc(C)cc(Br)c2O)[nH]n1 ZINC001560329115 1189311663 /nfs/dbraw/zinc/31/16/63/1189311663.db2.gz VEUYYANVOCFSEH-UHFFFAOYSA-N 1 1 324.222 3.038 20 10 DGCDMO CCOCc1cc(CN[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1OC ZINC001560358632 1189318671 /nfs/dbraw/zinc/31/86/71/1189318671.db2.gz QWGAGNAZUNBMCN-QZTJIDSGSA-N 1 1 320.477 3.194 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+]2CCSC(C)(C)C2)cc1F ZINC001560687864 1189360830 /nfs/dbraw/zinc/36/08/30/1189360830.db2.gz RGDPSBYBUVGFES-UHFFFAOYSA-N 1 1 300.418 3.358 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCSC(C)(C)C2)cc1F ZINC001560687864 1189360834 /nfs/dbraw/zinc/36/08/34/1189360834.db2.gz RGDPSBYBUVGFES-UHFFFAOYSA-N 1 1 300.418 3.358 20 10 DGCDMO CCOC[C@H]1CCCC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001560880220 1189399823 /nfs/dbraw/zinc/39/98/23/1189399823.db2.gz CGLOKMOQCPEKRL-CQSZACIVSA-N 1 1 312.404 3.422 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC001560899234 1189401923 /nfs/dbraw/zinc/40/19/23/1189401923.db2.gz MSOLQMJZBWEZHO-KRWDZBQOSA-N 1 1 307.459 3.224 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC001560985790 1189415662 /nfs/dbraw/zinc/41/56/62/1189415662.db2.gz LPORJOHKFAEXIH-PMACEKPBSA-N 1 1 313.489 3.107 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC001621087274 1193800714 /nfs/dbraw/zinc/80/07/14/1193800714.db2.gz DUJWJGLIZTVRPS-GWCFXTLKSA-N 1 1 301.789 3.216 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CC[C@H](C)[C@@H]2C)c2cc(F)ccc2n1C ZINC001621136601 1193807551 /nfs/dbraw/zinc/80/75/51/1193807551.db2.gz VXYDQCVYGQTPKA-RYUDHWBXSA-N 1 1 318.392 3.334 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](CCN(C)C)C2CCCC2)c1O ZINC001621264910 1193824374 /nfs/dbraw/zinc/82/43/74/1193824374.db2.gz XCKCJXNJEOJDGI-UHFFFAOYSA-N 1 1 306.450 3.015 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccc(O)c(F)c2)cc1 ZINC001621424228 1193841384 /nfs/dbraw/zinc/84/13/84/1193841384.db2.gz RJDGPOUDZDEUQS-UHFFFAOYSA-N 1 1 318.392 3.108 20 10 DGCDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001644345435 1195101699 /nfs/dbraw/zinc/10/16/99/1195101699.db2.gz BEKJIOXJVWMOSY-MRXNPFEDSA-N 1 1 318.461 3.226 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)cc1 ZINC001646360759 1195224942 /nfs/dbraw/zinc/22/49/42/1195224942.db2.gz CQXHYKAXJBPOHH-NRFANRHFSA-N 1 1 324.468 3.409 20 10 DGCDMO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001652158913 1195555401 /nfs/dbraw/zinc/55/54/01/1195555401.db2.gz OGGYOVQANBJBAL-AWEZNQCLSA-N 1 1 311.809 3.272 20 10 DGCDMO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001652158913 1195555404 /nfs/dbraw/zinc/55/54/04/1195555404.db2.gz OGGYOVQANBJBAL-AWEZNQCLSA-N 1 1 311.809 3.272 20 10 DGCDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001652220493 1195563895 /nfs/dbraw/zinc/56/38/95/1195563895.db2.gz CBOUIUCJUHEKFY-XHBSWPGZSA-N 1 1 312.404 3.012 20 10 DGCDMO Oc1c(C[NH2+]Cc2ccc3cncn3c2)ccc2ccccc21 ZINC001652634704 1195630441 /nfs/dbraw/zinc/63/04/41/1195630441.db2.gz ANVOPFXJIMHHQV-UHFFFAOYSA-N 1 1 303.365 3.483 20 10 DGCDMO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CCCC1 ZINC001656244662 1196023237 /nfs/dbraw/zinc/02/32/37/1196023237.db2.gz XKMJRXWPEPDSCN-FQEVSTJZSA-N 1 1 315.505 3.497 20 10 DGCDMO C[C@@H](CNCc1ccc2c(c1)CCCO2)C[NH+]1CCCCC1 ZINC001656896987 1196081028 /nfs/dbraw/zinc/08/10/28/1196081028.db2.gz RFUUGZIOOGQHMK-INIZCTEOSA-N 1 1 302.462 3.223 20 10 DGCDMO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ccc(N2CCCC2)cc1 ZINC001656947458 1196085981 /nfs/dbraw/zinc/08/59/81/1196085981.db2.gz ZACRXWKCLPWONT-ROUUACIJSA-N 1 1 315.505 3.497 20 10 DGCDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NCc1ccc(N2CCCC2)cc1 ZINC001656947458 1196085984 /nfs/dbraw/zinc/08/59/84/1196085984.db2.gz ZACRXWKCLPWONT-ROUUACIJSA-N 1 1 315.505 3.497 20 10 DGCDMO CCC[N@@H+](CC)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001657173314 1196114487 /nfs/dbraw/zinc/11/44/87/1196114487.db2.gz OQIFAIJLMURIKT-UHFFFAOYSA-N 1 1 306.381 3.336 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]CC3C(C)(C)C3(C)C)cc2)CC1 ZINC001657226231 1196121220 /nfs/dbraw/zinc/12/12/20/1196121220.db2.gz WWJHEFJUSKEKAM-UHFFFAOYSA-N 1 1 315.505 3.210 20 10 DGCDMO COC[C@H]([NH2+]Cc1cc(C)cc(Br)c1O)C(C)C ZINC001657247956 1196123677 /nfs/dbraw/zinc/12/36/77/1196123677.db2.gz UAZNPJCUAOUPQN-ZDUSSCGKSA-N 1 1 316.239 3.224 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)c(O)c1 ZINC001657354271 1196133069 /nfs/dbraw/zinc/13/30/69/1196133069.db2.gz OJUXDRXZEAKCTN-SFHVURJKSA-N 1 1 324.424 3.095 20 10 DGCDMO CN(C)c1ccc(C[NH2+]Cc2noc3cc(F)ccc23)cc1F ZINC001657867835 1196188166 /nfs/dbraw/zinc/18/81/66/1196188166.db2.gz XVTNMCXRKQVQOY-UHFFFAOYSA-N 1 1 317.339 3.462 20 10 DGCDMO CCc1cccc(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC001658202094 1196225216 /nfs/dbraw/zinc/22/52/16/1196225216.db2.gz LOBWAQWDOBGWKG-LJQANCHMSA-N 1 1 310.441 3.443 20 10 DGCDMO CN(C)C[C@H]([NH2+]Cc1cc(F)c(F)cc1O)c1ccc(F)cc1 ZINC001658252802 1196230612 /nfs/dbraw/zinc/23/06/12/1196230612.db2.gz GQFQNBVPJKQUPQ-INIZCTEOSA-N 1 1 324.346 3.202 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCC[C@]3(CCSC3)C2)c(O)c1 ZINC001658335052 1196242464 /nfs/dbraw/zinc/24/24/64/1196242464.db2.gz GWOHVYUZIOIHRX-KRWDZBQOSA-N 1 1 307.459 3.428 20 10 DGCDMO CC[N@@H+]1C[C@H](C)N(Cc2c(O)ccc(Cl)c2F)C[C@H]1C ZINC001658441517 1196256461 /nfs/dbraw/zinc/25/64/61/1196256461.db2.gz IWPFDEVUOQARLA-MNOVXSKESA-N 1 1 300.805 3.099 20 10 DGCDMO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001658802184 1196302353 /nfs/dbraw/zinc/30/23/53/1196302353.db2.gz MZIVXSSHNJROLL-PMACEKPBSA-N 1 1 315.505 3.497 20 10 DGCDMO CCCC[N@@H+](CCOC)Cc1cc(F)c(N(C)C)cc1F ZINC001659153807 1196353038 /nfs/dbraw/zinc/35/30/38/1196353038.db2.gz YWMIAEROWRZFBP-UHFFFAOYSA-N 1 1 300.393 3.279 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CCC(F)(F)C2)cc1 ZINC001659280755 1196367213 /nfs/dbraw/zinc/36/72/13/1196367213.db2.gz IIDNLAAPLUYTTP-CQSZACIVSA-N 1 1 312.404 3.499 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCN(C)C[C@H]2Cc2ccccc2)cc1 ZINC001659281334 1196367235 /nfs/dbraw/zinc/36/72/35/1196367235.db2.gz UWZKTCHHMAEKNN-OAQYLSRUSA-N 1 1 323.484 3.111 20 10 DGCDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001659482312 1196387762 /nfs/dbraw/zinc/38/77/62/1196387762.db2.gz XYTQKWUOVPTMJQ-OPYNEWBTSA-N 1 1 302.462 3.247 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC001659535354 1196392537 /nfs/dbraw/zinc/39/25/37/1196392537.db2.gz UKSIKBUYXNMBBJ-LLVKDONJSA-N 1 1 323.364 3.313 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)CC2(OC)CCCCC2)cc1 ZINC001659590965 1196398107 /nfs/dbraw/zinc/39/81/07/1196398107.db2.gz PFNHGWNTHDULOE-UHFFFAOYSA-N 1 1 320.477 3.413 20 10 DGCDMO COC(=O)c1c(C[NH+]2CCC(F)CC2)c2cc(F)ccc2n1C ZINC001659911307 1196427629 /nfs/dbraw/zinc/42/76/29/1196427629.db2.gz OTNYWSHRFDHWAG-UHFFFAOYSA-N 1 1 322.355 3.038 20 10 DGCDMO C[C@@H]1Cc2cc(C[NH2+]Cc3cc(F)c(F)cc3O)ccc2O1 ZINC001659976825 1196433732 /nfs/dbraw/zinc/43/37/32/1196433732.db2.gz FXAHQOMEWLDDLO-SNVBAGLBSA-N 1 1 305.324 3.284 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3C[C@H]4CCCC[C@H]43)cc2)CC1 ZINC001660198833 1196456299 /nfs/dbraw/zinc/45/62/99/1196456299.db2.gz GOADLDBYUBQZPS-VQIMIIECSA-N 1 1 300.446 3.022 20 10 DGCDMO COC(=O)Nc1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC001662427605 1196721034 /nfs/dbraw/zinc/72/10/34/1196721034.db2.gz NRDXSSYDXJYRBS-UHFFFAOYSA-N 1 1 322.311 3.139 20 10 DGCDMO CCCC[N@H+](C)C[C@@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC001662559943 1196730554 /nfs/dbraw/zinc/73/05/54/1196730554.db2.gz ROEVFFMOISEHPQ-XZVRFQMRSA-N 1 1 303.494 3.476 20 10 DGCDMO CCCC[N@@H+](C)C[C@@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC001662559943 1196730556 /nfs/dbraw/zinc/73/05/56/1196730556.db2.gz ROEVFFMOISEHPQ-XZVRFQMRSA-N 1 1 303.494 3.476 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCC4(CC4)C3)cc2)CC1 ZINC001663353573 1196842970 /nfs/dbraw/zinc/84/29/70/1196842970.db2.gz LVMUXZKHEOKTDL-GOSISDBHSA-N 1 1 313.489 3.251 20 10 DGCDMO COc1cc(CN2CC[N@@H+](C)CC2(C)C)c(O)c(C(C)(C)C)c1 ZINC001663648275 1196921218 /nfs/dbraw/zinc/92/12/18/1196921218.db2.gz ZAXUNKZHSNIAMG-UHFFFAOYSA-N 1 1 320.477 3.224 20 10 DGCDMO COc1cc(C[N@@H+]2CCN(C)CC2(C)C)c(O)c(C(C)(C)C)c1 ZINC001663648275 1196921220 /nfs/dbraw/zinc/92/12/20/1196921220.db2.gz ZAXUNKZHSNIAMG-UHFFFAOYSA-N 1 1 320.477 3.224 20 10 DGCDMO COc1cc(C[N@H+]2CCN(C)CC2(C)C)c(O)c(C(C)(C)C)c1 ZINC001663648275 1196921221 /nfs/dbraw/zinc/92/12/21/1196921221.db2.gz ZAXUNKZHSNIAMG-UHFFFAOYSA-N 1 1 320.477 3.224 20 10 DGCDMO COc1ccc(C[C@@H]2CC[N@@H+]2Cc2cc(F)cc(F)c2O)cc1 ZINC001663799370 1196946625 /nfs/dbraw/zinc/94/66/25/1196946625.db2.gz MSTSFWKPPBIGPN-HNNXBMFYSA-N 1 1 319.351 3.496 20 10 DGCDMO COc1ccc(C[C@@H]2CC[N@H+]2Cc2cc(F)cc(F)c2O)cc1 ZINC001663799370 1196946628 /nfs/dbraw/zinc/94/66/28/1196946628.db2.gz MSTSFWKPPBIGPN-HNNXBMFYSA-N 1 1 319.351 3.496 20 10 DGCDMO CC(C)C(=O)N1CCC[N@@H+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001663850462 1196951387 /nfs/dbraw/zinc/95/13/87/1196951387.db2.gz CWIVHDANMINXBG-UHFFFAOYSA-N 1 1 318.461 3.206 20 10 DGCDMO COc1ccc(O)c(C[N@@H+]2CCc3cc(F)cc(F)c3C2)c1 ZINC001665946983 1197219588 /nfs/dbraw/zinc/21/95/88/1197219588.db2.gz ICMULHLDEDXIBW-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCc3cc(F)cc(F)c3C2)c1 ZINC001665946983 1197219589 /nfs/dbraw/zinc/21/95/89/1197219589.db2.gz ICMULHLDEDXIBW-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO CCN1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000236919642 1202635488 /nfs/dbraw/zinc/63/54/88/1202635488.db2.gz LPBPLGPPAFPEQY-UHFFFAOYSA-N 1 1 301.478 3.251 20 10 DGCDMO COCC[N@@H+](Cc1cc(Br)cc(C)c1O)C(C)C ZINC000160971831 1202656014 /nfs/dbraw/zinc/65/60/14/1202656014.db2.gz BPAOBDRKYIFYMU-UHFFFAOYSA-N 1 1 316.239 3.320 20 10 DGCDMO CC[C@@H]1CC[N@@H+](Cc2cc(Br)c(OC)cc2O)C1 ZINC001233141859 1098236963 /nfs/dbraw/zinc/23/69/63/1098236963.db2.gz LLQIHMNMKNQGBE-SNVBAGLBSA-N 1 1 314.223 3.395 20 10 DGCDMO Oc1cccc2c1C[N@H+](Cc1c[nH]c(Br)c1)CC2 ZINC001233437968 1098332410 /nfs/dbraw/zinc/33/24/10/1098332410.db2.gz VTHJMBMLXHIULJ-UHFFFAOYSA-N 1 1 307.191 3.041 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1c[nH]c(Br)c1)CC2 ZINC001233437968 1098332417 /nfs/dbraw/zinc/33/24/17/1098332417.db2.gz VTHJMBMLXHIULJ-UHFFFAOYSA-N 1 1 307.191 3.041 20 10 DGCDMO COc1ccc(N2CCC[N@H+](C[C@H](CC(C)C)OC)CC2)cc1 ZINC001167108308 1081705893 /nfs/dbraw/zinc/70/58/93/1081705893.db2.gz ORASONCRQYRTKT-IBGZPJMESA-N 1 1 320.477 3.268 20 10 DGCDMO CCOC(=O)[C@@H]1C2CCC(CC2)[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001170534337 1082637972 /nfs/dbraw/zinc/63/79/72/1082637972.db2.gz BOXYVZMVNNIERQ-VJFUWPCTSA-N 1 1 316.445 3.059 20 10 DGCDMO CCOC(=O)[C@@H]1C2CCC(CC2)[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001170534337 1082637974 /nfs/dbraw/zinc/63/79/74/1082637974.db2.gz BOXYVZMVNNIERQ-VJFUWPCTSA-N 1 1 316.445 3.059 20 10 DGCDMO CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001648920630 1082849560 /nfs/dbraw/zinc/84/95/60/1082849560.db2.gz FIJFAULAVNHQFH-NSHDSACASA-N 1 1 300.805 3.006 20 10 DGCDMO CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001648920629 1082849744 /nfs/dbraw/zinc/84/97/44/1082849744.db2.gz FIJFAULAVNHQFH-LLVKDONJSA-N 1 1 300.805 3.006 20 10 DGCDMO CCCCC[N@@H+](C)CCC(=O)NCc1c(C)cc(C)cc1O ZINC001181869554 1083565573 /nfs/dbraw/zinc/56/55/73/1083565573.db2.gz VQMRHOFTIHZFPG-UHFFFAOYSA-N 1 1 306.450 3.137 20 10 DGCDMO COc1ccc2c(c1)CC[N@H+](Cc1cc(F)cc(F)c1[O-])C2 ZINC001182910706 1083838561 /nfs/dbraw/zinc/83/85/61/1083838561.db2.gz PGRYXBFHJFNTKX-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC001182918250 1083840884 /nfs/dbraw/zinc/84/08/84/1083840884.db2.gz KVSSKGPCVFLKNW-PXAZEXFGSA-N 1 1 311.372 3.452 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC001182918250 1083840892 /nfs/dbraw/zinc/84/08/92/1083840892.db2.gz KVSSKGPCVFLKNW-PXAZEXFGSA-N 1 1 311.372 3.452 20 10 DGCDMO CN(C)c1nccc2c1C[N@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001184364184 1084157153 /nfs/dbraw/zinc/15/71/53/1084157153.db2.gz NQCOGEZUZAYJAD-UHFFFAOYSA-N 1 1 317.820 3.065 20 10 DGCDMO CN(C)c1nccc2c1C[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001184364184 1084157163 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Cc1ccnnc1N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155629732 1089193025 /nfs/dbraw/zinc/19/30/25/1089193025.db2.gz NVPWWMXXABNZFI-WJFTUGDTSA-N 1 1 324.472 3.184 20 10 DGCDMO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236793576 1089885212 /nfs/dbraw/zinc/88/52/12/1089885212.db2.gz LFZBFQLIBTXAMS-VIFPVBQESA-N 1 1 318.200 3.084 20 10 DGCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236793576 1089885225 /nfs/dbraw/zinc/88/52/25/1089885225.db2.gz LFZBFQLIBTXAMS-VIFPVBQESA-N 1 1 318.200 3.084 20 10 DGCDMO CC[N@H+]1CCN(Cc2cc(Cl)c(Cl)cc2O)[C@H](C)C1 ZINC001236805562 1089945854 /nfs/dbraw/zinc/94/58/54/1089945854.db2.gz ZFGFRUIROYHLIF-SNVBAGLBSA-N 1 1 303.233 3.225 20 10 DGCDMO Nc1ccc(NCc2cc(Cl)c3cccnc3c2O)[nH+]c1 ZINC001157724353 1090088274 /nfs/dbraw/zinc/08/82/74/1090088274.db2.gz LXAOIPAGSUQHBY-UHFFFAOYSA-N 1 1 300.749 3.183 20 10 DGCDMO Nc1ccc[nH+]c1NCc1cc(Cl)c2cccnc2c1O ZINC001157723934 1090088739 /nfs/dbraw/zinc/08/87/39/1090088739.db2.gz FOSQGWZAZQOXFX-UHFFFAOYSA-N 1 1 300.749 3.183 20 10 DGCDMO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ncnc2c1C[NH2+]C2 ZINC001163486360 1090197318 /nfs/dbraw/zinc/19/73/18/1090197318.db2.gz IPNQDNAUDWZBDM-KRWDZBQOSA-N 1 1 324.428 3.138 20 10 DGCDMO CCCCN1CC[C@]2(CCC[N@H+]2Cc2ccc(C)cc2O)C1=O ZINC001272764654 1090560042 /nfs/dbraw/zinc/56/00/42/1090560042.db2.gz CLBORVFWHZLOQJ-LJQANCHMSA-N 1 1 316.445 3.068 20 10 DGCDMO COc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)c(C)c1 ZINC001203359770 1090725056 /nfs/dbraw/zinc/72/50/56/1090725056.db2.gz GSEAKTFCHQDYPX-UHFFFAOYSA-N 1 1 314.404 3.465 20 10 DGCDMO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccccc1O ZINC001203549913 1090753587 /nfs/dbraw/zinc/75/35/87/1090753587.db2.gz CJMFRUJIPBGINU-AWEZNQCLSA-N 1 1 320.433 3.224 20 10 DGCDMO Oc1ccccc1C[N@H+]1CCCC2(CN(Cc3ccccc3)C2)C1 ZINC001203560666 1090757136 /nfs/dbraw/zinc/75/71/36/1090757136.db2.gz FPURNONZTICJIQ-UHFFFAOYSA-N 1 1 322.452 3.490 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@@H](Oc3ccccc3C)C2)c1O ZINC001203595836 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C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1Cc2ccccc2O1 ZINC001203665682 1090776375 /nfs/dbraw/zinc/77/63/75/1090776375.db2.gz UDKCLUQHMJFFCQ-OAHLLOKOSA-N 1 1 303.789 3.481 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2cccc(OC)c2OC)c1 ZINC001203680362 1090779164 /nfs/dbraw/zinc/77/91/64/1090779164.db2.gz QZQYFJJZBDMGMQ-UHFFFAOYSA-N 1 1 317.385 3.050 20 10 DGCDMO CC[N@@H+](Cc1cc(OC)cc(OC)c1)Cc1ccccc1O ZINC001203857652 1090820152 /nfs/dbraw/zinc/82/01/52/1090820152.db2.gz HKCBZVFRQHUCOH-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO C[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(O)c(O)c1 ZINC001203879464 1090825968 /nfs/dbraw/zinc/82/59/68/1090825968.db2.gz QYLLKFFWFALJRP-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO Oc1ccc(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)cc1O ZINC001203879943 1090826439 /nfs/dbraw/zinc/82/64/39/1090826439.db2.gz KJVYUSNGTXYUEF-KRWDZBQOSA-N 1 1 313.397 3.279 20 10 DGCDMO Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203879664 1090826531 /nfs/dbraw/zinc/82/65/31/1090826531.db2.gz WZACWUTWCMPOPN-MRXNPFEDSA-N 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c1cc([C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)CCO2)ccn1 ZINC001204329111 1090950444 /nfs/dbraw/zinc/95/04/44/1090950444.db2.gz XHMGBGOQMXMIFM-HXUWFJFHSA-N 1 1 323.440 3.255 20 10 DGCDMO c1cc([C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)CCO2)ccn1 ZINC001204329111 1090950450 /nfs/dbraw/zinc/95/04/50/1090950450.db2.gz XHMGBGOQMXMIFM-HXUWFJFHSA-N 1 1 323.440 3.255 20 10 DGCDMO c1cnc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCCC3)cc2)nc1 ZINC001204329538 1090950934 /nfs/dbraw/zinc/95/09/34/1090950934.db2.gz OXTBWLOVFBAOEH-SFHVURJKSA-N 1 1 308.429 3.414 20 10 DGCDMO c1cnc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)nc1 ZINC001204329538 1090950935 /nfs/dbraw/zinc/95/09/35/1090950935.db2.gz OXTBWLOVFBAOEH-SFHVURJKSA-N 1 1 308.429 3.414 20 10 DGCDMO COc1cc(C[N@@H+]2Cc3ccccc3C(C)(C)C2)cc(O)c1O ZINC001204348309 1090953072 /nfs/dbraw/zinc/95/30/72/1090953072.db2.gz BLWIRFWOTMQJMT-UHFFFAOYSA-N 1 1 313.397 3.400 20 10 DGCDMO COc1cc(C[N@H+]2Cc3ccccc3C(C)(C)C2)cc(O)c1O ZINC001204348309 1090953075 /nfs/dbraw/zinc/95/30/75/1090953075.db2.gz BLWIRFWOTMQJMT-UHFFFAOYSA-N 1 1 313.397 3.400 20 10 DGCDMO CC[C@H](C)[C@H](C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)OC ZINC001205101415 1091101861 /nfs/dbraw/zinc/10/18/61/1091101861.db2.gz SBSKIDZNEJTXHK-WDYCEAGBSA-N 1 1 321.461 3.434 20 10 DGCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1CO ZINC001138215408 1091118638 /nfs/dbraw/zinc/11/86/38/1091118638.db2.gz DNKOZZIBWINRPD-LPHOPBHVSA-N 1 1 302.462 3.270 20 10 DGCDMO CN(C)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138219967 1091119643 /nfs/dbraw/zinc/11/96/43/1091119643.db2.gz VWADLWRIPULTPV-IBGZPJMESA-N 1 1 301.478 3.203 20 10 DGCDMO C[NH+](C)C[C@@H]1CCCN1Cc1ccc(N2CCCCC2)cc1 ZINC001138219967 1091119648 /nfs/dbraw/zinc/11/96/48/1091119648.db2.gz VWADLWRIPULTPV-IBGZPJMESA-N 1 1 301.478 3.203 20 10 DGCDMO C[N@@H+](C1CC1)[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220454 1091119932 /nfs/dbraw/zinc/11/99/32/1091119932.db2.gz DYJBQQBQQAOORL-FQEVSTJZSA-N 1 1 313.489 3.345 20 10 DGCDMO CN(C1CC1)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220454 1091119938 /nfs/dbraw/zinc/11/99/38/1091119938.db2.gz DYJBQQBQQAOORL-FQEVSTJZSA-N 1 1 313.489 3.345 20 10 DGCDMO CN(C1CC1)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220454 1091119943 /nfs/dbraw/zinc/11/99/43/1091119943.db2.gz DYJBQQBQQAOORL-FQEVSTJZSA-N 1 1 313.489 3.345 20 10 DGCDMO O=C1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]12 ZINC001138222085 1091120229 /nfs/dbraw/zinc/12/02/29/1091120229.db2.gz GFOSMHXMCIJHIK-MJGOQNOKSA-N 1 1 312.457 3.478 20 10 DGCDMO COC(=O)C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138222035 1091120398 /nfs/dbraw/zinc/12/03/98/1091120398.db2.gz CDTOLGBFTYLSHE-QGZVFWFLSA-N 1 1 316.445 3.062 20 10 DGCDMO Cc1c(C[N@H+]2CCO[C@H](c3ccncc3)C2)c2ccccc2n1C ZINC001138258662 1091127356 /nfs/dbraw/zinc/12/73/56/1091127356.db2.gz XYDABMFNEBCJMQ-FQEVSTJZSA-N 1 1 321.424 3.455 20 10 DGCDMO Cc1c(C[N@@H+](C)[C@@H]2CCC3(C2)OCCO3)c2ccccc2n1C ZINC001138260138 1091128321 /nfs/dbraw/zinc/12/83/21/1091128321.db2.gz WDCICDUHEUDJKV-OAHLLOKOSA-N 1 1 314.429 3.214 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CC(C)(C)C[C@]3(C)CO)ccc21 ZINC001138354697 1091149652 /nfs/dbraw/zinc/14/96/52/1091149652.db2.gz QNPSGRQUXHLNTC-LJQANCHMSA-N 1 1 302.462 3.052 20 10 DGCDMO CN1CCCc2cc(C[N@@H+]3CCO[C@@H](c4ccccn4)C3)ccc21 ZINC001138356645 1091149931 /nfs/dbraw/zinc/14/99/31/1091149931.db2.gz UIJCZJUFPPTFSI-HXUWFJFHSA-N 1 1 323.440 3.038 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CCO[C@@H](c4ccccn4)C3)ccc21 ZINC001138356645 1091149937 /nfs/dbraw/zinc/14/99/37/1091149937.db2.gz UIJCZJUFPPTFSI-HXUWFJFHSA-N 1 1 323.440 3.038 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CCC(=O)[C@@H]4CCCC[C@H]43)ccc21 ZINC001138354858 1091150771 /nfs/dbraw/zinc/15/07/71/1091150771.db2.gz WWVKLYFMVQGNTO-IEBWSBKVSA-N 1 1 312.457 3.403 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CCOc4ccccc4C3)ccc21 ZINC001138358440 1091152177 /nfs/dbraw/zinc/15/21/77/1091152177.db2.gz RRZSUNVXLRHPKH-UHFFFAOYSA-N 1 1 308.425 3.464 20 10 DGCDMO CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001138363877 1091154444 /nfs/dbraw/zinc/15/44/44/1091154444.db2.gz ROSNIZHVPDSQCP-DOTOQJQBSA-N 1 1 317.477 3.050 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CCO)C2)c(OC)c1 ZINC001138389274 1091162851 /nfs/dbraw/zinc/16/28/51/1091162851.db2.gz HYNYCAPERKXKSJ-MRXNPFEDSA-N 1 1 320.477 3.136 20 10 DGCDMO C[C@@H]1CC[NH2+]CCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001205333316 1091190173 /nfs/dbraw/zinc/19/01/73/1091190173.db2.gz ZZHJAUXCLKGFPR-CQSZACIVSA-N 1 1 314.404 3.382 20 10 DGCDMO Cc1ccccc1O[C@@H]1CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137837541 1091206919 /nfs/dbraw/zinc/20/69/19/1091206919.db2.gz KYHZURFYZUIMOY-CQSZACIVSA-N 1 1 301.361 3.493 20 10 DGCDMO Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137837541 1091206930 /nfs/dbraw/zinc/20/69/30/1091206930.db2.gz KYHZURFYZUIMOY-CQSZACIVSA-N 1 1 301.361 3.493 20 10 DGCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001137837730 1091208570 /nfs/dbraw/zinc/20/85/70/1091208570.db2.gz SDWGMEGUQBTAFQ-OAHLLOKOSA-N 1 1 301.361 3.322 20 10 DGCDMO Oc1cccc(F)c1C[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001137837730 1091208579 /nfs/dbraw/zinc/20/85/79/1091208579.db2.gz SDWGMEGUQBTAFQ-OAHLLOKOSA-N 1 1 301.361 3.322 20 10 DGCDMO Oc1cccc(F)c1C[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001137841480 1091225210 /nfs/dbraw/zinc/22/52/10/1091225210.db2.gz GCRLAWNYPULDBD-UHFFFAOYSA-N 1 1 318.367 3.383 20 10 DGCDMO Oc1cccc(F)c1C[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001137841480 1091225220 /nfs/dbraw/zinc/22/52/20/1091225220.db2.gz GCRLAWNYPULDBD-UHFFFAOYSA-N 1 1 318.367 3.383 20 10 DGCDMO C[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC[C@H]1C[NH3+] ZINC001205638465 1091291804 /nfs/dbraw/zinc/29/18/04/1091291804.db2.gz OGRFWSGNYOTUFI-GJZGRUSLSA-N 1 1 304.478 3.497 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC[C@H]1C[NH3+] ZINC001205638465 1091291809 /nfs/dbraw/zinc/29/18/09/1091291809.db2.gz OGRFWSGNYOTUFI-GJZGRUSLSA-N 1 1 304.478 3.497 20 10 DGCDMO C[C@H]1CC[C@H](CN)[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806306 1091358639 /nfs/dbraw/zinc/35/86/39/1091358639.db2.gz TWRVAYNAJJENEU-DOTOQJQBSA-N 1 1 311.473 3.465 20 10 DGCDMO C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806306 1091358675 /nfs/dbraw/zinc/35/86/75/1091358675.db2.gz TWRVAYNAJJENEU-DOTOQJQBSA-N 1 1 311.473 3.465 20 10 DGCDMO COc1cc(C[N@@H+](C(C)C)C2COC2)c(O)c(C(C)(C)C)c1 ZINC001205960612 1091429134 /nfs/dbraw/zinc/42/91/34/1091429134.db2.gz WFLDBRKWGUNDOM-UHFFFAOYSA-N 1 1 307.434 3.308 20 10 DGCDMO Oc1cccc2c1C[N@H+](Cc1cc3c(c(Cl)c1)OCO3)CC2 ZINC001139076422 1091440257 /nfs/dbraw/zinc/44/02/57/1091440257.db2.gz OSVFIXBABKPJRM-UHFFFAOYSA-N 1 1 317.772 3.333 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)CC2 ZINC001139076422 1091440263 /nfs/dbraw/zinc/44/02/63/1091440263.db2.gz OSVFIXBABKPJRM-UHFFFAOYSA-N 1 1 317.772 3.333 20 10 DGCDMO CC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 ZINC001139132661 1091459073 /nfs/dbraw/zinc/45/90/73/1091459073.db2.gz YXHMNCXMQIHYHY-ZDUSSCGKSA-N 1 1 301.386 3.429 20 10 DGCDMO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001139129212 1091459200 /nfs/dbraw/zinc/45/92/00/1091459200.db2.gz QSYWNRALEXDPQZ-INIZCTEOSA-N 1 1 321.323 3.038 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc2nonc2c1 ZINC001139221329 1091493203 /nfs/dbraw/zinc/49/32/03/1091493203.db2.gz GDZZPPUUJJKVSJ-UHFFFAOYSA-N 1 1 322.412 3.455 20 10 DGCDMO COc1cc(CN(C)Cc2cccs2)cc(C[NH+](C)C)c1O ZINC001139257122 1091501822 /nfs/dbraw/zinc/50/18/22/1091501822.db2.gz SCIZTZAVVAHLPF-UHFFFAOYSA-N 1 1 320.458 3.156 20 10 DGCDMO C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4CCC[C@H]4C3)cc2)CC1 ZINC001139408987 1091551615 /nfs/dbraw/zinc/55/16/15/1091551615.db2.gz RQRYOECKTSJOIX-OALUTQOASA-N 1 1 313.489 3.060 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@H]4C3)cc2)CC1 ZINC001139408987 1091551624 /nfs/dbraw/zinc/55/16/24/1091551624.db2.gz RQRYOECKTSJOIX-OALUTQOASA-N 1 1 313.489 3.060 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@@H]4CCC[C@H]4C3)cc2)CC1 ZINC001139408987 1091551635 /nfs/dbraw/zinc/55/16/35/1091551635.db2.gz RQRYOECKTSJOIX-OALUTQOASA-N 1 1 313.489 3.060 20 10 DGCDMO COc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206325769 1091581992 /nfs/dbraw/zinc/58/19/92/1091581992.db2.gz JKGGSCVUPCNRQI-MRXNPFEDSA-N 1 1 312.841 3.005 20 10 DGCDMO COc1cc([O-])c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206325769 1091582004 /nfs/dbraw/zinc/58/20/04/1091582004.db2.gz JKGGSCVUPCNRQI-MRXNPFEDSA-N 1 1 312.841 3.005 20 10 DGCDMO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139672585 1091637845 /nfs/dbraw/zinc/63/78/45/1091637845.db2.gz YQEQBSSVZDYPBY-MJGOQNOKSA-N 1 1 302.462 3.310 20 10 DGCDMO CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674410 1091639048 /nfs/dbraw/zinc/63/90/48/1091639048.db2.gz YPEBWHKTOLNQIR-QGZVFWFLSA-N 1 1 318.461 3.226 20 10 DGCDMO COc1ncccc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001206585220 1091678236 /nfs/dbraw/zinc/67/82/36/1091678236.db2.gz SUPSWDCBWDXZSJ-UHFFFAOYSA-N 1 1 311.429 3.322 20 10 DGCDMO COc1ncccc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001206585220 1091678238 /nfs/dbraw/zinc/67/82/38/1091678238.db2.gz SUPSWDCBWDXZSJ-UHFFFAOYSA-N 1 1 311.429 3.322 20 10 DGCDMO CCOc1ccc(N2CC[NH+](Cc3ccc(C)cn3)CC2)cc1 ZINC001139841547 1091688508 /nfs/dbraw/zinc/68/85/08/1091688508.db2.gz YFMRSCVTKQHGEU-UHFFFAOYSA-N 1 1 311.429 3.111 20 10 DGCDMO COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C[NH3+])CC[C@H]3C)c2c1 ZINC001206805714 1091748042 /nfs/dbraw/zinc/74/80/42/1091748042.db2.gz CRQVZALISDXYQH-ZIAGYGMSSA-N 1 1 314.429 3.113 20 10 DGCDMO COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C[NH3+])CC[C@H]3C)c2c1 ZINC001206805714 1091748047 /nfs/dbraw/zinc/74/80/47/1091748047.db2.gz CRQVZALISDXYQH-ZIAGYGMSSA-N 1 1 314.429 3.113 20 10 DGCDMO Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140055545 1091751371 /nfs/dbraw/zinc/75/13/71/1091751371.db2.gz KENDHXFJIOKOSP-MRXNPFEDSA-N 1 1 301.361 3.493 20 10 DGCDMO Oc1cccc(Br)c1C[N@@H+]1CCCC[C@H](F)C1 ZINC001140098933 1091767682 /nfs/dbraw/zinc/76/76/82/1091767682.db2.gz ULAQBXNOSRMSKR-JTQLQIEISA-N 1 1 302.187 3.479 20 10 DGCDMO Oc1cccc(Br)c1C[N@H+]1CCCC[C@H](F)C1 ZINC001140098933 1091767693 /nfs/dbraw/zinc/76/76/93/1091767693.db2.gz ULAQBXNOSRMSKR-JTQLQIEISA-N 1 1 302.187 3.479 20 10 DGCDMO Cc1ccc(C)c(C[NH+]2CCN(C3CCCCC3)CC2)c1O ZINC001140178739 1091792455 /nfs/dbraw/zinc/79/24/55/1091792455.db2.gz WBUVQQRHGFCOAS-UHFFFAOYSA-N 1 1 302.462 3.459 20 10 DGCDMO CCOC(=O)C[C@@H]1CC[N@@H+](Cc2c(C)ccc(C)c2O)C[C@H]1C ZINC001140184852 1091795545 /nfs/dbraw/zinc/79/55/45/1091795545.db2.gz IKTOUJSHEWQWBA-CVEARBPZSA-N 1 1 319.445 3.420 20 10 DGCDMO CCOc1ccc(N2CC[NH+](Cc3scnc3C)CC2)cc1 ZINC001206988694 1091813473 /nfs/dbraw/zinc/81/34/73/1091813473.db2.gz BKRNNNGYTBMRMY-UHFFFAOYSA-N 1 1 317.458 3.172 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001140462613 1091876014 /nfs/dbraw/zinc/87/60/14/1091876014.db2.gz JHOPXPHYJDGQLX-CYBMUJFWSA-N 1 1 323.742 3.325 20 10 DGCDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1O ZINC001140465395 1091876092 /nfs/dbraw/zinc/87/60/92/1091876092.db2.gz LUEAEZPTFIJISK-UHFFFAOYSA-N 1 1 305.761 3.406 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC001207196121 1091882747 /nfs/dbraw/zinc/88/27/47/1091882747.db2.gz GXPCPSTXVTYGCT-HNNXBMFYSA-N 1 1 323.440 3.404 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC001207196121 1091882754 /nfs/dbraw/zinc/88/27/54/1091882754.db2.gz GXPCPSTXVTYGCT-HNNXBMFYSA-N 1 1 323.440 3.404 20 10 DGCDMO C[C@H]1CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660177 1091948480 /nfs/dbraw/zinc/94/84/80/1091948480.db2.gz IKZJHRLQGOOSGU-HNNXBMFYSA-N 1 1 306.425 3.284 20 10 DGCDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140744842 1091983415 /nfs/dbraw/zinc/98/34/15/1091983415.db2.gz NCQXZDZOCLADGW-QAPCUYQASA-N 1 1 305.418 3.045 20 10 DGCDMO COc1cccc(CC[N@@H+](C)Cc2ccc(O)c(C)c2O)c1 ZINC001140748754 1091985007 /nfs/dbraw/zinc/98/50/07/1091985007.db2.gz JJTNJIQOOMCBKO-UHFFFAOYSA-N 1 1 301.386 3.089 20 10 DGCDMO Cc1c(O)ccc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)c1O ZINC001140750936 1091985023 /nfs/dbraw/zinc/98/50/23/1091985023.db2.gz DBYRJWCCQCFVBF-UHFFFAOYSA-N 1 1 305.324 3.243 20 10 DGCDMO Cc1c(O)ccc(C[N@H+]2CCc3cc(F)c(F)cc3C2)c1O ZINC001140750936 1091985028 /nfs/dbraw/zinc/98/50/28/1091985028.db2.gz DBYRJWCCQCFVBF-UHFFFAOYSA-N 1 1 305.324 3.243 20 10 DGCDMO CCN(CC)CC[N@H+](C)Cc1ccc(N(CC)CC)cc1O ZINC001140851330 1092029460 /nfs/dbraw/zinc/02/94/60/1092029460.db2.gz HOWHPHOTYMDFDD-UHFFFAOYSA-N 1 1 307.482 3.012 20 10 DGCDMO CCN(CC)CC[N@@H+](C)Cc1ccc(N(CC)CC)cc1O ZINC001140851330 1092029470 /nfs/dbraw/zinc/02/94/70/1092029470.db2.gz HOWHPHOTYMDFDD-UHFFFAOYSA-N 1 1 307.482 3.012 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2nccs2)c(O)c1 ZINC001140855882 1092030582 /nfs/dbraw/zinc/03/05/82/1092030582.db2.gz MYJDEOPTGODUSG-UHFFFAOYSA-N 1 1 305.447 3.327 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2nccs2)c(O)c1 ZINC001140855882 1092030591 /nfs/dbraw/zinc/03/05/91/1092030591.db2.gz MYJDEOPTGODUSG-UHFFFAOYSA-N 1 1 305.447 3.327 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c(O)c1 ZINC001140856391 1092030779 /nfs/dbraw/zinc/03/07/79/1092030779.db2.gz JHJMWHYLLTWKLA-YOEHRIQHSA-N 1 1 316.445 3.039 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@@H]2C(C)C)c(O)c1 ZINC001140855466 1092030823 /nfs/dbraw/zinc/03/08/23/1092030823.db2.gz AESYQBCXHIXLCV-QGZVFWFLSA-N 1 1 306.450 3.095 20 10 DGCDMO CCN(CC)c1ccc(C[NH+]2CCN(C(C)(C)C)CC2)c(O)c1 ZINC001140855494 1092031930 /nfs/dbraw/zinc/03/19/30/1092031930.db2.gz BKROVWBNPJYFJG-UHFFFAOYSA-N 1 1 319.493 3.155 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)c(N)c1 ZINC001140901153 1092056389 /nfs/dbraw/zinc/05/63/89/1092056389.db2.gz FQJKJZDZSFHOLQ-UHFFFAOYSA-N 1 1 313.445 3.366 20 10 DGCDMO Cc1ccc(CN2CC[NH+](CCc3ccccc3)CC2)c(O)c1 ZINC001140949704 1092075614 /nfs/dbraw/zinc/07/56/14/1092075614.db2.gz ISOJUFGHJQCRHG-UHFFFAOYSA-N 1 1 310.441 3.061 20 10 DGCDMO Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001140951012 1092076722 /nfs/dbraw/zinc/07/67/22/1092076722.db2.gz SZYXGBCLZJJSEX-BGYRXZFFSA-N 1 1 322.452 3.264 20 10 DGCDMO Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001140951012 1092076729 /nfs/dbraw/zinc/07/67/29/1092076729.db2.gz SZYXGBCLZJJSEX-BGYRXZFFSA-N 1 1 322.452 3.264 20 10 DGCDMO Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001140951012 1092076733 /nfs/dbraw/zinc/07/67/33/1092076733.db2.gz SZYXGBCLZJJSEX-BGYRXZFFSA-N 1 1 322.452 3.264 20 10 DGCDMO Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001140951012 1092076738 /nfs/dbraw/zinc/07/67/38/1092076738.db2.gz SZYXGBCLZJJSEX-BGYRXZFFSA-N 1 1 322.452 3.264 20 10 DGCDMO Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001140951013 1092076874 /nfs/dbraw/zinc/07/68/74/1092076874.db2.gz SZYXGBCLZJJSEX-PMACEKPBSA-N 1 1 322.452 3.264 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(C)cc2O)c1OC ZINC001140958005 1092082800 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C[C@H]([NH2+]Cc1cnn2ccccc12)c1cc(F)cc(F)c1O ZINC001257442854 1106589939 /nfs/dbraw/zinc/58/99/39/1106589939.db2.gz BKORBMIMISBTTQ-JTQLQIEISA-N 1 1 303.312 3.169 20 10 DGCDMO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001320765638 1107130159 /nfs/dbraw/zinc/13/01/59/1107130159.db2.gz YBBVYWPDYJLGOH-SFHVURJKSA-N 1 1 316.445 3.204 20 10 DGCDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001261185051 1107355887 /nfs/dbraw/zinc/35/58/87/1107355887.db2.gz DEANCDQOACGICH-IBGZPJMESA-N 1 1 302.462 3.271 20 10 DGCDMO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H](C)[S@@]1=O ZINC001323981255 1108136267 /nfs/dbraw/zinc/13/62/67/1108136267.db2.gz LDIYOIIELUWXLT-REDKUUPNSA-N 1 1 320.502 3.018 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H](C)[S@@]1=O ZINC001323981255 1108136273 /nfs/dbraw/zinc/13/62/73/1108136273.db2.gz LDIYOIIELUWXLT-REDKUUPNSA-N 1 1 320.502 3.018 20 10 DGCDMO CCCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC001324758836 1108454797 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302.462 3.222 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2O)cc1O ZINC001308610115 1111451282 /nfs/dbraw/zinc/45/12/82/1111451282.db2.gz DKCIXAKHZULTPR-UHFFFAOYSA-N 1 1 307.777 3.392 20 10 DGCDMO CCCC[N@@H+](CCOC)Cc1ccc(Br)cc1O ZINC001308629226 1111452839 /nfs/dbraw/zinc/45/28/39/1111452839.db2.gz NIWWGDLOOCYTGI-UHFFFAOYSA-N 1 1 316.239 3.403 20 10 DGCDMO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1cccc(F)c1O)CCC2 ZINC001308665617 1111457697 /nfs/dbraw/zinc/45/76/97/1111457697.db2.gz BXRRHAZDBOGNCX-HNNXBMFYSA-N 1 1 303.381 3.476 20 10 DGCDMO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001308741708 1111468618 /nfs/dbraw/zinc/46/86/18/1111468618.db2.gz XYACAAOCMBEMHI-HNNXBMFYSA-N 1 1 321.367 3.360 20 10 DGCDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001308741708 1111468621 /nfs/dbraw/zinc/46/86/21/1111468621.db2.gz XYACAAOCMBEMHI-HNNXBMFYSA-N 1 1 321.367 3.360 20 10 DGCDMO CC[C@H]1C[N@H+](CC)CCN1Cc1cc(Cl)c(F)cc1O ZINC001308766615 1111472685 /nfs/dbraw/zinc/47/26/85/1111472685.db2.gz NCRQULDYDCGPTG-LBPRGKRZSA-N 1 1 300.805 3.101 20 10 DGCDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1cc(Cl)c(F)cc1O ZINC001308766615 1111472687 /nfs/dbraw/zinc/47/26/87/1111472687.db2.gz NCRQULDYDCGPTG-LBPRGKRZSA-N 1 1 300.805 3.101 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@]1(c2ccccc2)CCCO1 ZINC001308951988 1111498665 /nfs/dbraw/zinc/49/86/65/1111498665.db2.gz XTMZWPBENIDISE-SFHVURJKSA-N 1 1 319.351 3.466 20 10 DGCDMO COc1cccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c1O ZINC000092437002 185318029 /nfs/dbraw/zinc/31/80/29/185318029.db2.gz WXOBNPJGPHWOCB-MRXNPFEDSA-N 1 1 317.385 3.175 20 10 DGCDMO Cc1noc([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000179755860 432070227 /nfs/dbraw/zinc/07/02/27/432070227.db2.gz HYEIOFBPYDPRKW-LBPRGKRZSA-N 1 1 307.781 3.117 20 10 DGCDMO Cc1cccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c1O ZINC000179838402 432071869 /nfs/dbraw/zinc/07/18/69/432071869.db2.gz BAOJNDVTJCWSCL-KRWDZBQOSA-N 1 1 301.386 3.475 20 10 DGCDMO COc1cc(OC)c(OC)cc1C[N@@H+](C)Cc1ccccc1O ZINC000091974425 193134509 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Oc1ccccc1C[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000190131363 432125332 /nfs/dbraw/zinc/12/53/32/432125332.db2.gz HEEBQIBGLIZDIF-KRWDZBQOSA-N 1 1 305.324 3.244 20 10 DGCDMO COc1c(O)cccc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000272253667 130013258 /nfs/dbraw/zinc/01/32/58/130013258.db2.gz IVGJSCKXXLCLHL-UHFFFAOYSA-N 1 1 300.402 3.099 20 10 DGCDMO O=C(C1CC[NH+](Cc2c(O)cccc2Cl)CC1)C(F)(F)F ZINC000274919217 130273940 /nfs/dbraw/zinc/27/39/40/130273940.db2.gz LRUUOVBHTYNAMB-UHFFFAOYSA-N 1 1 321.726 3.389 20 10 DGCDMO Cn1nccc1CC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000284179824 131057100 /nfs/dbraw/zinc/05/71/00/131057100.db2.gz YFRCEMIVEZYHKU-UHFFFAOYSA-N 1 1 312.461 3.085 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c(O)c1 ZINC000285021606 131132089 /nfs/dbraw/zinc/13/20/89/131132089.db2.gz KAEVDTDHNOWZMU-WMZOPIPTSA-N 1 1 305.418 3.324 20 10 DGCDMO CC[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(F)cc1O ZINC000285771054 131201023 /nfs/dbraw/zinc/20/10/23/131201023.db2.gz SUVXNPRPWZUFAM-GOEBONIOSA-N 1 1 311.397 3.158 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(F)cc1O ZINC000285820575 131204530 /nfs/dbraw/zinc/20/45/30/131204530.db2.gz WKEOGOQYZCQVBN-CABCVRRESA-N 1 1 306.381 3.468 20 10 DGCDMO Cc1cnn(C)c1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000289150583 131362270 /nfs/dbraw/zinc/36/22/70/131362270.db2.gz QEIVVDOSCRZZFQ-UHFFFAOYSA-N 1 1 312.461 3.351 20 10 DGCDMO CCC[N@@H+](Cc1cnc([C@H](C)O)s1)Cc1ccccc1O ZINC000289368184 131379543 /nfs/dbraw/zinc/37/95/43/131379543.db2.gz OTVSZNRGYIQJPH-LBPRGKRZSA-N 1 1 306.431 3.314 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c1 ZINC000093442739 400246469 /nfs/dbraw/zinc/24/64/69/400246469.db2.gz PMRONMCRSULKMX-SFHVURJKSA-N 1 1 315.413 3.346 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000092437208 292164670 /nfs/dbraw/zinc/16/46/70/292164670.db2.gz BVURDFKYJLIWAI-QGZVFWFLSA-N 1 1 301.386 3.475 20 10 DGCDMO CC[C@@H](C)[C@@H](C[NH2+]Cc1cccc(Br)c1O)OC ZINC000381108993 685154504 /nfs/dbraw/zinc/15/45/04/685154504.db2.gz BUAICGQWJJMSQK-ZWNOBZJWSA-N 1 1 316.239 3.305 20 10 DGCDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(OC)ccc2O)o1 ZINC000137072833 432170627 /nfs/dbraw/zinc/17/06/27/432170627.db2.gz STWWLMMIXFCRSA-INIZCTEOSA-N 1 1 317.385 3.477 20 10 DGCDMO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)Cc1ccccc1O ZINC000269605818 432186997 /nfs/dbraw/zinc/18/69/97/432186997.db2.gz CFABGYFIBSZMSU-CQSZACIVSA-N 1 1 304.434 3.004 20 10 DGCDMO C[C@H](c1ccccc1)[N@@H+](CC(=O)N(C)C)Cc1ccccc1O ZINC000176679241 228318096 /nfs/dbraw/zinc/31/80/96/228318096.db2.gz RTJPLXNPYKCZJX-OAHLLOKOSA-N 1 1 312.413 3.044 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1O ZINC000179623513 228352983 /nfs/dbraw/zinc/35/29/83/228352983.db2.gz RJOSOQZTFWJVTL-MRXNPFEDSA-N 1 1 322.412 3.123 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000281575803 274080279 /nfs/dbraw/zinc/08/02/79/274080279.db2.gz CWESIHPTQDEOSA-HZMBPMFUSA-N 1 1 311.809 3.248 20 10 DGCDMO COc1cccc(OC)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000285477108 274148578 /nfs/dbraw/zinc/14/85/78/274148578.db2.gz OHCNDLTVWAKPEC-UHFFFAOYSA-N 1 1 318.392 3.199 20 10 DGCDMO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nc(C2CC2)no1 ZINC000113357718 431344657 /nfs/dbraw/zinc/34/46/57/431344657.db2.gz RBEBRTQMOQHAJV-MRXNPFEDSA-N 1 1 314.433 3.500 20 10 DGCDMO COc1cccc(C[N@@H+](C)CCOc2ccccc2F)c1O ZINC000121522667 431799197 /nfs/dbraw/zinc/79/91/97/431799197.db2.gz XWDXDFYLICWJTN-UHFFFAOYSA-N 1 1 305.349 3.051 20 10 DGCDMO COc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c1O ZINC000093593470 431915998 /nfs/dbraw/zinc/91/59/98/431915998.db2.gz CXBXINZTFHAWSR-CQSZACIVSA-N 1 1 313.397 3.399 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1O ZINC000093704393 431916836 /nfs/dbraw/zinc/91/68/36/431916836.db2.gz DBRLVVYAKIMQRD-KRWDZBQOSA-N 1 1 312.413 3.477 20 10 DGCDMO CCCOc1ccc(CN2CC[C@@H](C[NH+](CC)CC)C2)c(O)c1 ZINC000093693578 431917686 /nfs/dbraw/zinc/91/76/86/431917686.db2.gz NKHAPYJUUSPHGL-INIZCTEOSA-N 1 1 320.477 3.345 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C)c2ccncc2)c1O ZINC000091986310 431906198 /nfs/dbraw/zinc/90/61/98/431906198.db2.gz CGOOIBJKSMOGRB-NSHDSACASA-N 1 1 302.349 3.322 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C)c2ccncc2)c1O ZINC000091986310 431906201 /nfs/dbraw/zinc/90/62/01/431906201.db2.gz CGOOIBJKSMOGRB-NSHDSACASA-N 1 1 302.349 3.322 20 10 DGCDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000101905975 431990245 /nfs/dbraw/zinc/99/02/45/431990245.db2.gz GQHCNWKIOYNRRB-MRXNPFEDSA-N 1 1 318.461 3.137 20 10 DGCDMO CC(C)N1CCC([N@H+](C)Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271038554 432320225 /nfs/dbraw/zinc/32/02/25/432320225.db2.gz LKJRAXYDYHZEAM-UHFFFAOYSA-N 1 1 307.457 3.196 20 10 DGCDMO CC(C)N1CCC([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271038554 432320229 /nfs/dbraw/zinc/32/02/29/432320229.db2.gz LKJRAXYDYHZEAM-UHFFFAOYSA-N 1 1 307.457 3.196 20 10 DGCDMO C[N@@H+](CCc1ccncc1)Cc1cc(Br)ccc1O ZINC000183760099 432323799 /nfs/dbraw/zinc/32/37/99/432323799.db2.gz YCLHWOWORDAVAR-UHFFFAOYSA-N 1 1 321.218 3.224 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)Cc2cccc(C)c2)cc1OC ZINC000271075401 432327285 /nfs/dbraw/zinc/32/72/85/432327285.db2.gz GSAWVSBGBZJOAS-UHFFFAOYSA-N 1 1 301.386 3.350 20 10 DGCDMO CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000152430717 432332216 /nfs/dbraw/zinc/33/22/16/432332216.db2.gz YDUAXUQRACYFKK-BEFAXECRSA-N 1 1 301.478 3.278 20 10 DGCDMO COCCOCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192734069 432406769 /nfs/dbraw/zinc/40/67/69/432406769.db2.gz PXEZDCIIVDGPCF-SECBINFHSA-N 1 1 308.205 3.013 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000271302098 432371704 /nfs/dbraw/zinc/37/17/04/432371704.db2.gz UMKXDXHEYUTGEC-DOTOQJQBSA-N 1 1 301.386 3.382 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1OC ZINC000271805042 432424802 /nfs/dbraw/zinc/42/48/02/432424802.db2.gz MCSBYNLZEJUWHD-AWEZNQCLSA-N 1 1 302.374 3.075 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c1O ZINC000271826993 432427322 /nfs/dbraw/zinc/42/73/22/432427322.db2.gz OBCFBGVAXAQNGA-OAHLLOKOSA-N 1 1 313.401 3.341 20 10 DGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000154914942 432528041 /nfs/dbraw/zinc/52/80/41/432528041.db2.gz SWBDFSBNGXYNSP-OAHLLOKOSA-N 1 1 322.412 3.049 20 10 DGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000154914824 432529006 /nfs/dbraw/zinc/52/90/06/432529006.db2.gz SWBDFSBNGXYNSP-HNNXBMFYSA-N 1 1 322.412 3.049 20 10 DGCDMO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cc(F)ccc1O ZINC000273465869 432601707 /nfs/dbraw/zinc/60/17/07/432601707.db2.gz IUJOVISOBYFWLL-YMTOWFKASA-N 1 1 311.303 3.194 20 10 DGCDMO CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000187701360 432677631 /nfs/dbraw/zinc/67/76/31/432677631.db2.gz UPPBXTYMJZSPLP-QWHCGFSZSA-N 1 1 312.404 3.441 20 10 DGCDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)[nH]1 ZINC000276761892 432824405 /nfs/dbraw/zinc/82/44/05/432824405.db2.gz AJBJELKEGXWRSW-QWHCGFSZSA-N 1 1 301.438 3.235 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Cl)c(Cl)cc1O ZINC000278332572 432891622 /nfs/dbraw/zinc/89/16/22/432891622.db2.gz WNZYDVOJKAGDLS-GPXNAGAYSA-N 1 1 318.122 3.273 20 10 DGCDMO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278369213 432891861 /nfs/dbraw/zinc/89/18/61/432891861.db2.gz BYUNYPIBLQJQHP-IUCAKERBSA-N 1 1 319.232 3.216 20 10 DGCDMO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(F)cc1O ZINC000278504500 432897222 /nfs/dbraw/zinc/89/72/22/432897222.db2.gz QUUOTMAPCJTZSZ-MRVPVSSYSA-N 1 1 313.266 3.099 20 10 DGCDMO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c(O)c1C ZINC000278778199 432900692 /nfs/dbraw/zinc/90/06/92/432900692.db2.gz YECNSVDHBIZTHE-DOTOQJQBSA-N 1 1 320.477 3.161 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c1O ZINC000289814572 432974435 /nfs/dbraw/zinc/97/44/35/432974435.db2.gz SZPQCVHWADAXMK-GOEBONIOSA-N 1 1 307.434 3.306 20 10 DGCDMO C[NH+](C)[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000373005009 433073830 /nfs/dbraw/zinc/07/38/30/433073830.db2.gz CDNOZZGPNQOBLV-LLVKDONJSA-N 1 1 300.805 3.101 20 10 DGCDMO OC[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccccc2O)C1 ZINC000291331348 433234074 /nfs/dbraw/zinc/23/40/74/433234074.db2.gz UPNRCGLLVVMOMT-FQEVSTJZSA-N 1 1 311.425 3.209 20 10 DGCDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000281169369 433265980 /nfs/dbraw/zinc/26/59/80/433265980.db2.gz QKTCGECMFKHGHA-OAHLLOKOSA-N 1 1 315.417 3.344 20 10 DGCDMO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1cccc(OC)c1O ZINC000281169369 433265990 /nfs/dbraw/zinc/26/59/90/433265990.db2.gz QKTCGECMFKHGHA-OAHLLOKOSA-N 1 1 315.417 3.344 20 10 DGCDMO CC[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(F)cc1O ZINC000375800453 433570657 /nfs/dbraw/zinc/57/06/57/433570657.db2.gz AQWCZNDXIJJFSY-HNNXBMFYSA-N 1 1 303.381 3.305 20 10 DGCDMO CCCC[N@@H+](Cc1cnc2cnccn12)Cc1ccccc1O ZINC000282842978 433636139 /nfs/dbraw/zinc/63/61/39/433636139.db2.gz CUORSJPVXKAQJU-UHFFFAOYSA-N 1 1 310.401 3.237 20 10 DGCDMO C[NH+]1CCC2(CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000376000160 433638399 /nfs/dbraw/zinc/63/83/99/433638399.db2.gz NSWVDMJKUADOAQ-UHFFFAOYSA-N 1 1 308.853 3.353 20 10 DGCDMO C[NH+]1CCC2(CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000376000160 433638406 /nfs/dbraw/zinc/63/84/06/433638406.db2.gz NSWVDMJKUADOAQ-UHFFFAOYSA-N 1 1 308.853 3.353 20 10 DGCDMO CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@H](C)CO ZINC000292859048 433603063 /nfs/dbraw/zinc/60/30/63/433603063.db2.gz VBVQFELMWBGRCJ-OAHLLOKOSA-N 1 1 315.413 3.174 20 10 DGCDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000362385745 433675402 /nfs/dbraw/zinc/67/54/02/433675402.db2.gz HADMGNHQERVOFM-LLVKDONJSA-N 1 1 307.781 3.117 20 10 DGCDMO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(N(C)C)c(C)c2)n1 ZINC000293551210 433777472 /nfs/dbraw/zinc/77/74/72/433777472.db2.gz LDPRHDGGZZGOQV-QGZVFWFLSA-N 1 1 314.433 3.480 20 10 DGCDMO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(N(C)C)c(C)c2)n1 ZINC000293551210 433777481 /nfs/dbraw/zinc/77/74/81/433777481.db2.gz LDPRHDGGZZGOQV-QGZVFWFLSA-N 1 1 314.433 3.480 20 10 DGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000293560540 433781478 /nfs/dbraw/zinc/78/14/78/433781478.db2.gz GAVDREBGPQNDPS-MRXNPFEDSA-N 1 1 307.821 3.437 20 10 DGCDMO C[C@H](COCC(F)(F)F)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293802440 433876988 /nfs/dbraw/zinc/87/69/88/433876988.db2.gz CCEHNDCDWSRXBZ-SSDOTTSWSA-N 1 1 315.694 3.242 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1c(F)cncc1F ZINC000285418543 433942869 /nfs/dbraw/zinc/94/28/69/433942869.db2.gz GJZJPMOMAAZDJS-JTQLQIEISA-N 1 1 309.335 3.416 20 10 DGCDMO CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294876837 434151746 /nfs/dbraw/zinc/15/17/46/434151746.db2.gz KPCDVFXRKKBOEC-UHFFFAOYSA-N 1 1 314.832 3.489 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H](CO)c2ccccc2)cc1F ZINC000295076037 434184052 /nfs/dbraw/zinc/18/40/52/434184052.db2.gz PTSFLDHQIRIICW-SFHVURJKSA-N 1 1 302.393 3.057 20 10 DGCDMO C[C@@H](O)C[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295940449 434445191 /nfs/dbraw/zinc/44/51/91/434445191.db2.gz GGNXFMNIPOCHKT-CQSZACIVSA-N 1 1 304.459 3.197 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(F)cc1O ZINC000367621811 434552537 /nfs/dbraw/zinc/55/25/37/434552537.db2.gz UGKMKYOJKXGZFQ-LZLYRXPVSA-N 1 1 301.361 3.230 20 10 DGCDMO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2nccs2)cc1OC ZINC000360776312 434689262 /nfs/dbraw/zinc/68/92/62/434689262.db2.gz CPAPORGAXFWXRF-LBPRGKRZSA-N 1 1 320.414 3.203 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2nccs2)cc1OC ZINC000360776312 434689270 /nfs/dbraw/zinc/68/92/70/434689270.db2.gz CPAPORGAXFWXRF-LBPRGKRZSA-N 1 1 320.414 3.203 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)CC(F)(F)F ZINC000276370409 334076407 /nfs/dbraw/zinc/07/64/07/334076407.db2.gz OISMTMFIUREHQN-HNNXBMFYSA-N 1 1 318.383 3.276 20 10 DGCDMO COCCC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000529638301 340765940 /nfs/dbraw/zinc/76/59/40/340765940.db2.gz PEEOBFYRSVGRFN-UHFFFAOYSA-N 1 1 301.789 3.433 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1O ZINC000184682149 533952820 /nfs/dbraw/zinc/95/28/20/533952820.db2.gz YMIWJZXHNBDEMR-NSHDSACASA-N 1 1 321.808 3.157 20 10 DGCDMO COc1ccc(O)c(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000179631151 534198894 /nfs/dbraw/zinc/19/88/94/534198894.db2.gz NJYTUCCTQBXYQW-UHFFFAOYSA-N 1 1 311.381 3.396 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2c(Cl)cnn2C)cc1F ZINC000131381250 520908139 /nfs/dbraw/zinc/90/81/39/520908139.db2.gz LRBCXSNRQYRYEU-UHFFFAOYSA-N 1 1 324.831 3.349 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCS[C@H](C)CC2)c1O ZINC000190694414 522537172 /nfs/dbraw/zinc/53/71/72/522537172.db2.gz OZERORJMUSUODX-SNVBAGLBSA-N 1 1 301.839 3.382 20 10 DGCDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cc(F)ccc1O ZINC000179884631 524272207 /nfs/dbraw/zinc/27/22/07/524272207.db2.gz UYXFABODXBYBEE-UHFFFAOYSA-N 1 1 316.376 3.219 20 10 DGCDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cc(F)ccc1O ZINC000179884631 524272216 /nfs/dbraw/zinc/27/22/16/524272216.db2.gz UYXFABODXBYBEE-UHFFFAOYSA-N 1 1 316.376 3.219 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1O ZINC000180024667 524402444 /nfs/dbraw/zinc/40/24/44/524402444.db2.gz WYOOIAFQZNTBDI-QGZVFWFLSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1cccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1O ZINC000180024667 524402449 /nfs/dbraw/zinc/40/24/49/524402449.db2.gz WYOOIAFQZNTBDI-QGZVFWFLSA-N 1 1 301.361 3.413 20 10 DGCDMO COc1ccc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1F ZINC000267933094 524431921 /nfs/dbraw/zinc/43/19/21/524431921.db2.gz OYWQWXOWWWMJKW-AWEZNQCLSA-N 1 1 315.392 3.113 20 10 DGCDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(OC)ccc3O)C2)cc1 ZINC000179955218 525254403 /nfs/dbraw/zinc/25/44/03/525254403.db2.gz SRTVJXBDSUZIAD-OAHLLOKOSA-N 1 1 313.397 3.399 20 10 DGCDMO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000179936458 526349921 /nfs/dbraw/zinc/34/99/21/526349921.db2.gz KOMRBGQTQAVGHX-QGZVFWFLSA-N 1 1 305.324 3.244 20 10 DGCDMO 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CC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CCOC(C)(C)C1 ZINC000894535830 618375283 /nfs/dbraw/zinc/37/52/83/618375283.db2.gz OHQDVSSHOPLLJA-CQSZACIVSA-N 1 1 323.433 3.189 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1O ZINC000894863110 618481700 /nfs/dbraw/zinc/48/17/00/618481700.db2.gz QNESTEUCLYGGCI-SFHVURJKSA-N 1 1 317.429 3.100 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000894862852 618482584 /nfs/dbraw/zinc/48/25/84/618482584.db2.gz IYYYQWODHPMBMB-MRXNPFEDSA-N 1 1 309.356 3.061 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000894862852 618482585 /nfs/dbraw/zinc/48/25/85/618482585.db2.gz IYYYQWODHPMBMB-MRXNPFEDSA-N 1 1 309.356 3.061 20 10 DGCDMO COc1ccc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)c(O)c1OC ZINC000894980353 618506518 /nfs/dbraw/zinc/50/65/18/618506518.db2.gz IGYPPNUCMZYBLO-UHFFFAOYSA-N 1 1 323.433 3.187 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1O ZINC000894993315 618507230 /nfs/dbraw/zinc/50/72/30/618507230.db2.gz JCBQXVKQFMAFCO-SJORKVTESA-N 1 1 313.397 3.017 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c1O ZINC000894997950 618509272 /nfs/dbraw/zinc/50/92/72/618509272.db2.gz CVNIFCNIRRTTSQ-SFHVURJKSA-N 1 1 319.445 3.346 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c(O)c1OC ZINC000893493573 618572510 /nfs/dbraw/zinc/57/25/10/618572510.db2.gz CZNIKXSKKSAOGS-FZKQIMNGSA-N 1 1 305.418 3.422 20 10 DGCDMO COc1ccc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c(O)c1OC ZINC000893497347 618574000 /nfs/dbraw/zinc/57/40/00/618574000.db2.gz ISSMPSIUICIPKO-AEGPPILISA-N 1 1 305.418 3.420 20 10 DGCDMO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cccc(F)c2O)c1 ZINC000840973566 618648994 /nfs/dbraw/zinc/64/89/94/618648994.db2.gz QEPHYYJZHMHKLV-HOCLYGCPSA-N 1 1 301.361 3.433 20 10 DGCDMO COc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2O)cc1OC ZINC000893897974 618671508 /nfs/dbraw/zinc/67/15/08/618671508.db2.gz SQOUSCSEPFASGX-UHFFFAOYSA-N 1 1 323.339 3.320 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2cc(F)cc(F)c2O)cc1OC ZINC000893897974 618671509 /nfs/dbraw/zinc/67/15/09/618671509.db2.gz SQOUSCSEPFASGX-UHFFFAOYSA-N 1 1 323.339 3.320 20 10 DGCDMO CCCCN1CCC([NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894207583 618729665 /nfs/dbraw/zinc/72/96/65/618729665.db2.gz SQJZYNOXOHQSEX-UHFFFAOYSA-N 1 1 306.450 3.063 20 10 DGCDMO CCCC[NH+]1CCC(NCc2cc(C)cc(OC)c2O)CC1 ZINC000894207583 618729666 /nfs/dbraw/zinc/72/96/66/618729666.db2.gz SQJZYNOXOHQSEX-UHFFFAOYSA-N 1 1 306.450 3.063 20 10 DGCDMO COc1cc(C)cc(C[NH2+]Cc2nnc(C(C)(C)C)s2)c1O ZINC000894333399 618765968 /nfs/dbraw/zinc/76/59/68/618765968.db2.gz WKWGBKYTGGHBJR-UHFFFAOYSA-N 1 1 321.446 3.148 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000895391988 618778048 /nfs/dbraw/zinc/77/80/48/618778048.db2.gz IVDIPFVNSHMUPB-SFHVURJKSA-N 1 1 319.351 3.154 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000895391988 618778050 /nfs/dbraw/zinc/77/80/50/618778050.db2.gz IVDIPFVNSHMUPB-SFHVURJKSA-N 1 1 319.351 3.154 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000895422797 618783511 /nfs/dbraw/zinc/78/35/11/618783511.db2.gz OITWFUTZIWQABA-DOTOQJQBSA-N 1 1 319.351 3.368 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000895422797 618783512 /nfs/dbraw/zinc/78/35/12/618783512.db2.gz OITWFUTZIWQABA-DOTOQJQBSA-N 1 1 319.351 3.368 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000895422798 618783678 /nfs/dbraw/zinc/78/36/78/618783678.db2.gz OITWFUTZIWQABA-NVXWUHKLSA-N 1 1 319.351 3.368 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000895422798 618783679 /nfs/dbraw/zinc/78/36/79/618783679.db2.gz OITWFUTZIWQABA-NVXWUHKLSA-N 1 1 319.351 3.368 20 10 DGCDMO C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)cc(F)c1[O-] ZINC000895683881 618818440 /nfs/dbraw/zinc/81/84/40/618818440.db2.gz WTIYLZDXYXYWFB-UHFFFAOYSA-N 1 1 312.404 3.368 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000895716922 618822048 /nfs/dbraw/zinc/82/20/48/618822048.db2.gz NBCQQNKORNUIHA-INIZCTEOSA-N 1 1 319.445 3.430 20 10 DGCDMO CCc1cccc(CN2CCC(CC)([NH+]3CCC3)CC2)c1O ZINC000895822151 618836096 /nfs/dbraw/zinc/83/60/96/618836096.db2.gz LGSZHTAGRUDRGX-UHFFFAOYSA-N 1 1 302.462 3.405 20 10 DGCDMO Cn1ccc([C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000896490738 618918228 /nfs/dbraw/zinc/91/82/28/618918228.db2.gz WLPVMCMQTYUTRI-NSHDSACASA-N 1 1 323.799 3.298 20 10 DGCDMO Cn1ccc([C@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000896490738 618918229 /nfs/dbraw/zinc/91/82/29/618918229.db2.gz WLPVMCMQTYUTRI-NSHDSACASA-N 1 1 323.799 3.298 20 10 DGCDMO Cn1ccc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000896490735 618918286 /nfs/dbraw/zinc/91/82/86/618918286.db2.gz WLPVMCMQTYUTRI-LLVKDONJSA-N 1 1 323.799 3.298 20 10 DGCDMO Cn1ccc([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000896490735 618918287 /nfs/dbraw/zinc/91/82/87/618918287.db2.gz WLPVMCMQTYUTRI-LLVKDONJSA-N 1 1 323.799 3.298 20 10 DGCDMO CCOc1cc(C[NH2+]Cc2c(O)cccc2F)c(F)cc1OC ZINC000896644563 618938423 /nfs/dbraw/zinc/93/84/23/618938423.db2.gz XLARVCQNIQXJJC-UHFFFAOYSA-N 1 1 323.339 3.368 20 10 DGCDMO CC(C)N(C)c1ccc(C[NH2+]Cc2c(O)cccc2F)cn1 ZINC000896638787 618939742 /nfs/dbraw/zinc/93/97/42/618939742.db2.gz XCRKITBVMGCBAN-UHFFFAOYSA-N 1 1 303.381 3.061 20 10 DGCDMO Oc1cccc(F)c1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000896639907 618939901 /nfs/dbraw/zinc/93/99/01/618939901.db2.gz ZEYQCMVGAILXKS-AWEZNQCLSA-N 1 1 300.377 3.147 20 10 DGCDMO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(Cl)cc1O ZINC000841758412 619163986 /nfs/dbraw/zinc/16/39/86/619163986.db2.gz MBQQTQOOSGNIBJ-GXTWGEPZSA-N 1 1 305.805 3.472 20 10 DGCDMO [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898067419 619210797 /nfs/dbraw/zinc/21/07/97/619210797.db2.gz DGIMHFSJXDBYPZ-JTQLQIEISA-N 1 1 310.369 3.192 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898067419 619210799 /nfs/dbraw/zinc/21/07/99/619210799.db2.gz DGIMHFSJXDBYPZ-JTQLQIEISA-N 1 1 310.369 3.192 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898067419 619210801 /nfs/dbraw/zinc/21/08/01/619210801.db2.gz DGIMHFSJXDBYPZ-JTQLQIEISA-N 1 1 310.369 3.192 20 10 DGCDMO CC[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1ccc(F)cc1O ZINC000926963146 619253401 /nfs/dbraw/zinc/25/34/01/619253401.db2.gz MNXFMVFQRRQRKP-OCCSQVGLSA-N 1 1 322.346 3.455 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c(O)c1 ZINC000898516445 619283493 /nfs/dbraw/zinc/28/34/93/619283493.db2.gz SBCXOLVXPKBTKP-RDJZCZTQSA-N 1 1 319.445 3.430 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000898516596 619283564 /nfs/dbraw/zinc/28/35/64/619283564.db2.gz VDRJHUHEZXTJEP-LSDHHAIUSA-N 1 1 305.418 3.039 20 10 DGCDMO CC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000902485526 619646033 /nfs/dbraw/zinc/64/60/33/619646033.db2.gz LPTGNVDEPRVTFJ-IRUJWGPZSA-N 1 1 302.340 3.189 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](Cc3nccs3)C1)CCC2 ZINC000902646344 619660965 /nfs/dbraw/zinc/66/09/65/619660965.db2.gz LELLLSRDRJWOGL-CYBMUJFWSA-N 1 1 314.454 3.402 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@H]2CC2CCOCC2)cc1C ZINC000902669532 619662813 /nfs/dbraw/zinc/66/28/13/619662813.db2.gz HCYLBQDGDYFZLS-GOSISDBHSA-N 1 1 319.445 3.027 20 10 DGCDMO CC[C@H]([NH2+][C@@H](c1nncn1C)C(C)C)c1ccc(F)cc1O ZINC000903063015 619708687 /nfs/dbraw/zinc/70/86/87/619708687.db2.gz AXTIGQCOPZPVFJ-DZGCQCFKSA-N 1 1 306.385 3.098 20 10 DGCDMO Cc1cc(N(C)C)ccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903098252 619715928 /nfs/dbraw/zinc/71/59/28/619715928.db2.gz MGEPGZIDDJHQNE-XGSMCBPESA-N 1 1 313.489 3.308 20 10 DGCDMO Cc1cc(N(C)C)ccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903098252 619715931 /nfs/dbraw/zinc/71/59/31/619715931.db2.gz MGEPGZIDDJHQNE-XGSMCBPESA-N 1 1 313.489 3.308 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)c1c(O)cccc1F ZINC000903176583 619730237 /nfs/dbraw/zinc/73/02/37/619730237.db2.gz QOKTVZBHBKXICI-HOTUBEGUSA-N 1 1 307.287 3.292 20 10 DGCDMO C[C@H]([NH2+]C1CC(CCO)C1)c1cccc(C(F)(F)F)c1O ZINC000903334210 619759079 /nfs/dbraw/zinc/75/90/79/619759079.db2.gz XYCCMRHEDRRMNE-WHXUTIOJSA-N 1 1 303.324 3.223 20 10 DGCDMO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000903450363 619778697 /nfs/dbraw/zinc/77/86/97/619778697.db2.gz GMHHJIOTTIWGIU-LOWVWBTDSA-N 1 1 311.809 3.428 20 10 DGCDMO Nc1ccc2c(c1)C[N@@H+](Cc1c(O)cccc1Cl)CCO2 ZINC000903947355 619844097 /nfs/dbraw/zinc/84/40/97/619844097.db2.gz SCJVBWCXVNMHIU-UHFFFAOYSA-N 1 1 304.777 3.022 20 10 DGCDMO Nc1ccc2c(c1)C[N@H+](Cc1c(O)cccc1Cl)CCO2 ZINC000903947355 619844102 /nfs/dbraw/zinc/84/41/02/619844102.db2.gz SCJVBWCXVNMHIU-UHFFFAOYSA-N 1 1 304.777 3.022 20 10 DGCDMO Cc1cc(O)c(CN[C@@H]2Cc3ccccc3[C@H]2[NH3+])c(Cl)c1 ZINC000904458080 619923926 /nfs/dbraw/zinc/92/39/26/619923926.db2.gz AVUCBWJGNNBMGX-NVXWUHKLSA-N 1 1 302.805 3.068 20 10 DGCDMO CCCC[N@H+](Cc1cn(C2CC2)nn1)Cc1ccccc1O ZINC000906298789 620083542 /nfs/dbraw/zinc/08/35/42/620083542.db2.gz NIYCRVXDRCBREH-UHFFFAOYSA-N 1 1 300.406 3.121 20 10 DGCDMO CCCC[N@@H+](Cc1cn(C2CC2)nn1)Cc1ccccc1O ZINC000906298789 620083544 /nfs/dbraw/zinc/08/35/44/620083544.db2.gz NIYCRVXDRCBREH-UHFFFAOYSA-N 1 1 300.406 3.121 20 10 DGCDMO CC[C@H](CNCc1ccc(N(CC)CC)cc1)[NH+]1CCCC1 ZINC000915228212 620575092 /nfs/dbraw/zinc/57/50/92/620575092.db2.gz IVUKRVOLNQAHEI-GOSISDBHSA-N 1 1 303.494 3.497 20 10 DGCDMO Cc1cc(O)c(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1C ZINC000915802271 620598336 /nfs/dbraw/zinc/59/83/36/620598336.db2.gz QHXDNUQLFAHOEM-UHFFFAOYSA-N 1 1 323.396 3.290 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1C ZINC000915802271 620598337 /nfs/dbraw/zinc/59/83/37/620598337.db2.gz QHXDNUQLFAHOEM-UHFFFAOYSA-N 1 1 323.396 3.290 20 10 DGCDMO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(C)o1 ZINC000921809442 620953663 /nfs/dbraw/zinc/95/36/63/620953663.db2.gz MOKVUDPHAJUJAW-MRXNPFEDSA-N 1 1 301.386 3.390 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cc(N(C)C)ccn2)cc1 ZINC000922478655 621043807 /nfs/dbraw/zinc/04/38/07/621043807.db2.gz AXDDWUIMLOWQCQ-UHFFFAOYSA-N 1 1 312.461 3.284 20 10 DGCDMO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000857878551 621126901 /nfs/dbraw/zinc/12/69/01/621126901.db2.gz IGESFEIIKTYNJA-UHFFFAOYSA-N 1 1 310.445 3.224 20 10 DGCDMO CC(C)c1ncc2c(n1)CC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000857878551 621126903 /nfs/dbraw/zinc/12/69/03/621126903.db2.gz IGESFEIIKTYNJA-UHFFFAOYSA-N 1 1 310.445 3.224 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cccc2c1OCC2 ZINC000922945284 621135044 /nfs/dbraw/zinc/13/50/44/621135044.db2.gz WAMJCKCIPVPWKC-UHFFFAOYSA-N 1 1 307.752 3.409 20 10 DGCDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(C)c(C)cc3O)C2)nc1 ZINC000858013300 621145787 /nfs/dbraw/zinc/14/57/87/621145787.db2.gz REDBXYDLQQGIRB-KRWDZBQOSA-N 1 1 312.413 3.366 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858100268 621152856 /nfs/dbraw/zinc/15/28/56/621152856.db2.gz ASVBPFQGIUDRQR-QGZVFWFLSA-N 1 1 303.494 3.495 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858100268 621152858 /nfs/dbraw/zinc/15/28/58/621152858.db2.gz ASVBPFQGIUDRQR-QGZVFWFLSA-N 1 1 303.494 3.495 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000858100268 621152860 /nfs/dbraw/zinc/15/28/60/621152860.db2.gz ASVBPFQGIUDRQR-QGZVFWFLSA-N 1 1 303.494 3.495 20 10 DGCDMO Cc1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1N(C)C ZINC000923327618 621176413 /nfs/dbraw/zinc/17/64/13/621176413.db2.gz DWEFTRFJKUNNKB-MSOLQXFVSA-N 1 1 301.478 3.025 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc1 ZINC000859441848 621278250 /nfs/dbraw/zinc/27/82/50/621278250.db2.gz DWCJNQQVODUFGS-UHFFFAOYSA-N 1 1 324.472 3.398 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc1 ZINC000859441848 621278254 /nfs/dbraw/zinc/27/82/54/621278254.db2.gz DWCJNQQVODUFGS-UHFFFAOYSA-N 1 1 324.472 3.398 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C2(O)CC2)c1O ZINC000839140327 621340439 /nfs/dbraw/zinc/34/04/39/621340439.db2.gz PCRMVBLHHSPHOO-OAHLLOKOSA-N 1 1 323.820 3.128 20 10 DGCDMO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)[nH]1 ZINC000752924569 621416106 /nfs/dbraw/zinc/41/61/06/621416106.db2.gz HTYTWOZOCSUMII-NEPJUHHUSA-N 1 1 319.428 3.374 20 10 DGCDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000753588989 621451805 /nfs/dbraw/zinc/45/18/05/621451805.db2.gz HDNVJXCZDXMJQW-KRWDZBQOSA-N 1 1 302.462 3.391 20 10 DGCDMO CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000754419058 621510282 /nfs/dbraw/zinc/51/02/82/621510282.db2.gz DQXXJCGJEPSKFP-UHFFFAOYSA-N 1 1 317.477 3.023 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000754736870 621529308 /nfs/dbraw/zinc/52/93/08/621529308.db2.gz ONVIWAIOOLOVSE-CRAIPNDOSA-N 1 1 307.434 3.345 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c1O ZINC000754736878 621529454 /nfs/dbraw/zinc/52/94/54/621529454.db2.gz ONVIWAIOOLOVSE-YJBOKZPZSA-N 1 1 307.434 3.345 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1 ZINC000754736841 621529689 /nfs/dbraw/zinc/52/96/89/621529689.db2.gz NWLNAILVGIYEDQ-DGCLKSJQSA-N 1 1 303.324 3.161 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1 ZINC000754736841 621529691 /nfs/dbraw/zinc/52/96/91/621529691.db2.gz NWLNAILVGIYEDQ-DGCLKSJQSA-N 1 1 303.324 3.161 20 10 DGCDMO COc1cc(C[N@H+]2CCOC[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000754748498 621530582 /nfs/dbraw/zinc/53/05/82/621530582.db2.gz OBKAUNHFBGPHRO-ZDUSSCGKSA-N 1 1 307.434 3.167 20 10 DGCDMO C[N@@H+](CCOCC1CC1)Cc1c(O)cccc1Br ZINC000862250281 621567545 /nfs/dbraw/zinc/56/75/45/621567545.db2.gz MIYZPBFQDOUQPX-UHFFFAOYSA-N 1 1 314.223 3.013 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1F ZINC000862293038 621572701 /nfs/dbraw/zinc/57/27/01/621572701.db2.gz MTEWDDJPCBKQDD-KRWDZBQOSA-N 1 1 324.415 3.422 20 10 DGCDMO C[C@@H]1CCSCC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862343560 621575891 /nfs/dbraw/zinc/57/58/91/621575891.db2.gz SMOQNXLAGNQCBS-LLVKDONJSA-N 1 1 300.418 3.358 20 10 DGCDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862351270 621576469 /nfs/dbraw/zinc/57/64/69/621576469.db2.gz IMFUKWUTISDDPL-TZMCWYRMSA-N 1 1 312.404 3.156 20 10 DGCDMO CC(C)[N@@H+](Cc1c(O)cccc1Br)[C@@H]1CCOC1 ZINC000862372519 621581012 /nfs/dbraw/zinc/58/10/12/621581012.db2.gz NFEDBVFQSOJUEP-LLVKDONJSA-N 1 1 314.223 3.154 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+](C)[C@H](CO)c2ccccc2)cc1F ZINC000862384428 621582069 /nfs/dbraw/zinc/58/20/69/621582069.db2.gz YXQDEMFGCVBMOK-GOSISDBHSA-N 1 1 320.383 3.196 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+](C)[C@H](CO)c2ccccc2)cc1F ZINC000862384428 621582070 /nfs/dbraw/zinc/58/20/70/621582070.db2.gz YXQDEMFGCVBMOK-GOSISDBHSA-N 1 1 320.383 3.196 20 10 DGCDMO CC[N@@H+](CCSC)Cc1c(O)cccc1Br ZINC000862400178 621582908 /nfs/dbraw/zinc/58/29/08/621582908.db2.gz PCMZFSRGVUFHOI-UHFFFAOYSA-N 1 1 304.253 3.340 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCCC(F)(F)CC2)cc1OC ZINC000862467077 621592884 /nfs/dbraw/zinc/59/28/84/621592884.db2.gz OMIJCSCWQQZZJV-UHFFFAOYSA-N 1 1 301.333 3.031 20 10 DGCDMO CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1O)CCC(F)(F)F ZINC000756051436 621612102 /nfs/dbraw/zinc/61/21/02/621612102.db2.gz WQSDVDIEGXSPNZ-NSHDSACASA-N 1 1 322.346 3.456 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2ccco2)c1 ZINC000756381168 621633386 /nfs/dbraw/zinc/63/33/86/621633386.db2.gz XTRSYBXELXKYOX-RYUDHWBXSA-N 1 1 303.358 3.054 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)s2)c1 ZINC000756417139 621637264 /nfs/dbraw/zinc/63/72/64/621637264.db2.gz JYXMANXICFRKNY-NSHDSACASA-N 1 1 305.399 3.400 20 10 DGCDMO C[C@H]([NH2+]CCN1CCc2ccccc21)c1ccc(F)cc1O ZINC000756484332 621641098 /nfs/dbraw/zinc/64/10/98/621641098.db2.gz TZWPYFPAAZLRNS-ZDUSSCGKSA-N 1 1 300.377 3.245 20 10 DGCDMO COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756536675 621646099 /nfs/dbraw/zinc/64/60/99/621646099.db2.gz SMQGNLYOYXOMRU-LBPRGKRZSA-N 1 1 304.365 3.403 20 10 DGCDMO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756586434 621651352 /nfs/dbraw/zinc/65/13/52/621651352.db2.gz RRWDAFSPYDYNGS-BJOHPYRUSA-N 1 1 319.355 3.497 20 10 DGCDMO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc(F)cc(F)c1O ZINC000756593023 621651728 /nfs/dbraw/zinc/65/17/28/621651728.db2.gz LCSBISQCLLOSSG-PSLIRLAXSA-N 1 1 313.369 3.290 20 10 DGCDMO Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756597475 621651845 /nfs/dbraw/zinc/65/18/45/621651845.db2.gz NKRULGXDCNIDQA-LLVKDONJSA-N 1 1 309.360 3.306 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c1 ZINC000756601840 621652261 /nfs/dbraw/zinc/65/22/61/621652261.db2.gz BKEBAQVEWHUBEJ-UGSOOPFHSA-N 1 1 323.433 3.017 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@@H](SC)C2)c1 ZINC000756610541 621652788 /nfs/dbraw/zinc/65/27/88/621652788.db2.gz PGTTWKVDGNUNSK-WCFLWFBJSA-N 1 1 309.431 3.114 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)c2ccncc2)c1 ZINC000756632967 621654697 /nfs/dbraw/zinc/65/46/97/621654697.db2.gz GCWNCGXXWBRDFF-STQMWFEESA-N 1 1 314.385 3.028 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC(F)(F)C2)c1 ZINC000756764354 621662853 /nfs/dbraw/zinc/66/28/53/621662853.db2.gz HATXSAUPVMBEHE-JQWIXIFHSA-N 1 1 313.344 3.407 20 10 DGCDMO C[NH+](C)CCOc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000864026527 621728602 /nfs/dbraw/zinc/72/86/02/621728602.db2.gz OQJKNTKLNRZBLI-UHFFFAOYSA-N 1 1 322.355 3.223 20 10 DGCDMO C[NH+](C)CCOc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000864023992 621728627 /nfs/dbraw/zinc/72/86/27/621728627.db2.gz UKULPOMTGCLZJX-UHFFFAOYSA-N 1 1 322.355 3.223 20 10 DGCDMO Cc1nnc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)s1 ZINC000757636960 621730197 /nfs/dbraw/zinc/73/01/97/621730197.db2.gz FUAOVCVQGOTBQQ-JTQLQIEISA-N 1 1 303.431 3.282 20 10 DGCDMO C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000757640486 621730645 /nfs/dbraw/zinc/73/06/45/621730645.db2.gz XEZKOFIBLNMOGC-JSGCOSHPSA-N 1 1 306.425 3.401 20 10 DGCDMO C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)c2c1c(F)ccc2[O-] ZINC000757640490 621730668 /nfs/dbraw/zinc/73/06/68/621730668.db2.gz XEZKOFIBLNMOGC-TZMCWYRMSA-N 1 1 306.425 3.401 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cncc(F)c2)c1 ZINC000757640827 621730754 /nfs/dbraw/zinc/73/07/54/621730754.db2.gz VBANEELDYAXJOW-QWRGUYRKSA-N 1 1 318.348 3.125 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC000120067393 621769249 /nfs/dbraw/zinc/76/92/49/621769249.db2.gz CEPLJTMZHSMKFB-UHFFFAOYSA-N 1 1 315.369 3.152 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C[C@@H]1n1ccnc1 ZINC000759156659 621830332 /nfs/dbraw/zinc/83/03/32/621830332.db2.gz HJDKUIGLUGDTQF-KSSFIOAISA-N 1 1 322.412 3.220 20 10 DGCDMO CCC(CC)(C[NH2+][C@H](C)c1cc(F)cc(F)c1O)C(=O)OC ZINC000760877829 621971132 /nfs/dbraw/zinc/97/11/32/621971132.db2.gz ABUBMTJCQGAWJD-SNVBAGLBSA-N 1 1 315.360 3.300 20 10 DGCDMO C[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1cc(F)cc(F)c1O ZINC000760895484 621972429 /nfs/dbraw/zinc/97/24/29/621972429.db2.gz AJGPUTZIFZPEES-JTQLQIEISA-N 1 1 317.339 3.408 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1O ZINC000761203198 621993856 /nfs/dbraw/zinc/99/38/56/621993856.db2.gz KWYNMPPILHLFIQ-BXUZGUMPSA-N 1 1 311.809 3.055 20 10 DGCDMO CN(C)c1ccc(/C=C\C[NH2+]Cc2nn(C)cc2C(F)F)cc1 ZINC000865806520 621998487 /nfs/dbraw/zinc/99/84/87/621998487.db2.gz BINWHSBNBAFYCU-PLNGDYQASA-N 1 1 320.387 3.227 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@@]2(CO)CC(C)C)c(O)c1 ZINC000789593771 625531981 /nfs/dbraw/zinc/53/19/81/625531981.db2.gz VTVDUVXZFDVKIS-SFHVURJKSA-N 1 1 307.434 3.164 20 10 DGCDMO Cc1ccc(C)c(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)c1 ZINC000762051044 622048693 /nfs/dbraw/zinc/04/86/93/622048693.db2.gz PNZJVOGCHKOPRX-GOSISDBHSA-N 1 1 313.397 3.067 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2cc(C)cc(C)c2O)CCN1CC(F)F ZINC000765719741 622283923 /nfs/dbraw/zinc/28/39/23/622283923.db2.gz YXPPCSAGYJCIKR-HNNXBMFYSA-N 1 1 312.404 3.170 20 10 DGCDMO CN(C)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1F ZINC000768138501 622441456 /nfs/dbraw/zinc/44/14/56/622441456.db2.gz MIBDXJICZQSNFL-UHFFFAOYSA-N 1 1 313.420 3.214 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)Cc2cccc(OC)c2O)cc1 ZINC000768162731 622442813 /nfs/dbraw/zinc/44/28/13/622442813.db2.gz GVKAEJDLYYMQEX-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C(=O)OC)C2)cc1F ZINC000768231278 622446459 /nfs/dbraw/zinc/44/64/59/622446459.db2.gz SJJYYQBOHZSPSN-HNNXBMFYSA-N 1 1 322.424 3.057 20 10 DGCDMO COc1cccc(O)c1C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000768231432 622446534 /nfs/dbraw/zinc/44/65/34/622446534.db2.gz UQCBWXWGGXCWRW-UHFFFAOYSA-N 1 1 308.381 3.440 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000768231432 622446537 /nfs/dbraw/zinc/44/65/37/622446537.db2.gz UQCBWXWGGXCWRW-UHFFFAOYSA-N 1 1 308.381 3.440 20 10 DGCDMO c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000768356354 622452188 /nfs/dbraw/zinc/45/21/88/622452188.db2.gz XGKOJHMTZZZZQB-FQEVSTJZSA-N 1 1 323.440 3.255 20 10 DGCDMO COc1cccc(O)c1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000768426181 622455473 /nfs/dbraw/zinc/45/54/73/622455473.db2.gz PPAIWUJRXFNWEK-SFHVURJKSA-N 1 1 317.360 3.113 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000768426181 622455476 /nfs/dbraw/zinc/45/54/76/622455476.db2.gz PPAIWUJRXFNWEK-SFHVURJKSA-N 1 1 317.360 3.113 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)c(O)c1 ZINC000768427511 622455634 /nfs/dbraw/zinc/45/56/34/622455634.db2.gz BYAOVFNFFYNPNU-MRXNPFEDSA-N 1 1 302.374 3.424 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)c(O)c1 ZINC000768427511 622455635 /nfs/dbraw/zinc/45/56/35/622455635.db2.gz BYAOVFNFFYNPNU-MRXNPFEDSA-N 1 1 302.374 3.424 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]2CCCC[C@@H]12 ZINC000768439152 622456214 /nfs/dbraw/zinc/45/62/14/622456214.db2.gz ILEWYCVLSXVEGR-YUFPNPJJSA-N 1 1 317.429 3.219 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@]3(CC=CCC3)C1)[C@H](O)CO2 ZINC000768445670 622457058 /nfs/dbraw/zinc/45/70/58/622457058.db2.gz GKKVGTDVYQQPGM-MJGOQNOKSA-N 1 1 315.413 3.140 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCc3c(C)cccc3C2)cc1OC ZINC000768449177 622457087 /nfs/dbraw/zinc/45/70/87/622457087.db2.gz FCWVGHXQWIIXQY-UHFFFAOYSA-N 1 1 313.397 3.276 20 10 DGCDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768465570 622457907 /nfs/dbraw/zinc/45/79/07/622457907.db2.gz ISCJFYYHZFJIRK-MJEQTWJJSA-N 1 1 305.418 3.219 20 10 DGCDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768463353 622457981 /nfs/dbraw/zinc/45/79/81/622457981.db2.gz HJJUMHVQEPPADC-SUMWQHHRSA-N 1 1 305.418 3.076 20 10 DGCDMO CCCCC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462141 622458223 /nfs/dbraw/zinc/45/82/23/622458223.db2.gz JXWSSEGVQGHWAD-PBHICJAKSA-N 1 1 305.418 3.363 20 10 DGCDMO CCC[C@]1(C)CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466508 622458693 /nfs/dbraw/zinc/45/86/93/622458693.db2.gz QWYRYNFBRUWEIA-SJLPKXTDSA-N 1 1 305.418 3.220 20 10 DGCDMO CCN(CC)c1ccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000768545736 622464037 /nfs/dbraw/zinc/46/40/37/622464037.db2.gz CJAOUCLAXVYMPV-KRWDZBQOSA-N 1 1 321.484 3.446 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)c(O)c1 ZINC000768878276 622482817 /nfs/dbraw/zinc/48/28/17/622482817.db2.gz LCZVSQPIAUNZNO-OAHLLOKOSA-N 1 1 302.374 3.424 20 10 DGCDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)c(F)c1 ZINC000768892825 622483668 /nfs/dbraw/zinc/48/36/68/622483668.db2.gz MKKSHSFEYQEZKF-HNNXBMFYSA-N 1 1 316.420 3.275 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c(O)c1 ZINC000768936447 622486725 /nfs/dbraw/zinc/48/67/25/622486725.db2.gz DEBVAHXTRPBUBC-QGZVFWFLSA-N 1 1 318.461 3.241 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2CN2CCCCC2)c(O)c1 ZINC000768936447 622486728 /nfs/dbraw/zinc/48/67/28/622486728.db2.gz DEBVAHXTRPBUBC-QGZVFWFLSA-N 1 1 318.461 3.241 20 10 DGCDMO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000769306979 622516117 /nfs/dbraw/zinc/51/61/17/622516117.db2.gz XWMLBSRFYKPWIZ-UHFFFAOYSA-N 1 1 304.434 3.060 20 10 DGCDMO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000769306979 622516118 /nfs/dbraw/zinc/51/61/18/622516118.db2.gz XWMLBSRFYKPWIZ-UHFFFAOYSA-N 1 1 304.434 3.060 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000769461812 622529691 /nfs/dbraw/zinc/52/96/91/622529691.db2.gz WVMFHDOZGIQROK-SFHVURJKSA-N 1 1 324.424 3.328 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1F ZINC000769503362 622534876 /nfs/dbraw/zinc/53/48/76/622534876.db2.gz HYUWTCADSOHVFH-CQSZACIVSA-N 1 1 322.424 3.055 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)c(O)c1 ZINC000769503813 622535070 /nfs/dbraw/zinc/53/50/70/622535070.db2.gz NDQBJWPKZQXCEQ-SFHVURJKSA-N 1 1 313.397 3.364 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCOC[C@H]2c2ccccc2)c(O)c1 ZINC000769503813 622535072 /nfs/dbraw/zinc/53/50/72/622535072.db2.gz NDQBJWPKZQXCEQ-SFHVURJKSA-N 1 1 313.397 3.364 20 10 DGCDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCN1CC(F)F ZINC000769514729 622536847 /nfs/dbraw/zinc/53/68/47/622536847.db2.gz NSCYVGSWRWXYGE-CYBMUJFWSA-N 1 1 318.795 3.207 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCN1CC(F)F ZINC000769514729 622536849 /nfs/dbraw/zinc/53/68/49/622536849.db2.gz NSCYVGSWRWXYGE-CYBMUJFWSA-N 1 1 318.795 3.207 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000769514287 622536901 /nfs/dbraw/zinc/53/69/01/622536901.db2.gz IUHPXLHSQTWUQL-MSOLQXFVSA-N 1 1 302.462 3.391 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](CCO[C@@H]2CCCCO2)C2CC2)cc1 ZINC000769708143 622552188 /nfs/dbraw/zinc/55/21/88/622552188.db2.gz KYONIWGXXSGWQI-LJQANCHMSA-N 1 1 318.461 3.260 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](COC(C)C)C2)cc1C(C)C ZINC000769805224 622563012 /nfs/dbraw/zinc/56/30/12/622563012.db2.gz WXIIDJAGSJIDHV-KRWDZBQOSA-N 1 1 321.461 3.450 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000770377268 622626585 /nfs/dbraw/zinc/62/65/85/622626585.db2.gz ZDOVDLWKJIYLQG-HUUCEWRRSA-N 1 1 305.418 3.039 20 10 DGCDMO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000770614083 622652352 /nfs/dbraw/zinc/65/23/52/622652352.db2.gz CQQDUFFUKMEVPE-HUUCEWRRSA-N 1 1 315.417 3.231 20 10 DGCDMO C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccc(F)cc1O ZINC000872110089 622813089 /nfs/dbraw/zinc/81/30/89/622813089.db2.gz CMHIUNHRNGDTND-SSDOTTSWSA-N 1 1 317.229 3.354 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](C3CCC3)CC1)[C@H](O)CO2 ZINC000872701367 622956128 /nfs/dbraw/zinc/95/61/28/622956128.db2.gz WBJHNASPRZKZRX-RDTXWAMCSA-N 1 1 317.429 3.220 20 10 DGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C)c1O ZINC000124299722 622995033 /nfs/dbraw/zinc/99/50/33/622995033.db2.gz RHSCEOBIXVAUAN-VIFPVBQESA-N 1 1 300.196 3.148 20 10 DGCDMO CCCOc1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1C ZINC000873128793 623042852 /nfs/dbraw/zinc/04/28/52/623042852.db2.gz DVNQXMBCCYAVGU-UHFFFAOYSA-N 1 1 300.406 3.069 20 10 DGCDMO CCN(C)c1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000773752821 623067203 /nfs/dbraw/zinc/06/72/03/623067203.db2.gz KJMJYAYQJFNXDD-IBGZPJMESA-N 1 1 315.505 3.451 20 10 DGCDMO Cc1nccnc1[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000873187709 623067358 /nfs/dbraw/zinc/06/73/58/623067358.db2.gz ARRXPACKXLBVBK-JTQLQIEISA-N 1 1 322.206 3.104 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774877432 623204493 /nfs/dbraw/zinc/20/44/93/623204493.db2.gz XLKWIAJOKNPSIX-CYBMUJFWSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774877432 623204496 /nfs/dbraw/zinc/20/44/96/623204496.db2.gz XLKWIAJOKNPSIX-CYBMUJFWSA-N 1 1 308.378 3.320 20 10 DGCDMO CCC1(CC)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000774887136 623205202 /nfs/dbraw/zinc/20/52/02/623205202.db2.gz OSFFYMOWVTZHCV-UHFFFAOYSA-N 1 1 308.378 3.321 20 10 DGCDMO CCC1(CC)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000774887136 623205206 /nfs/dbraw/zinc/20/52/06/623205206.db2.gz OSFFYMOWVTZHCV-UHFFFAOYSA-N 1 1 308.378 3.321 20 10 DGCDMO COc1c(O)c(C[NH2+]C2CCC(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000775022724 623217439 /nfs/dbraw/zinc/21/74/39/623217439.db2.gz FUXZCQDHVAQGIT-UHFFFAOYSA-N 1 1 308.378 3.367 20 10 DGCDMO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775063298 623224294 /nfs/dbraw/zinc/22/42/94/623224294.db2.gz PMSANFAREZVVSX-VIFPVBQESA-N 1 1 322.283 3.130 20 10 DGCDMO CC(C)[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)CC1CCC1 ZINC000775175940 623237560 /nfs/dbraw/zinc/23/75/60/623237560.db2.gz IBGJWMMWXBTLTG-UHFFFAOYSA-N 1 1 315.505 3.449 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)CC1CCC1 ZINC000775175940 623237564 /nfs/dbraw/zinc/23/75/64/623237564.db2.gz IBGJWMMWXBTLTG-UHFFFAOYSA-N 1 1 315.505 3.449 20 10 DGCDMO CC[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775654240 623305026 /nfs/dbraw/zinc/30/50/26/623305026.db2.gz JKYMZOQIPFGBCC-QGZVFWFLSA-N 1 1 301.478 3.060 20 10 DGCDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775654240 623305029 /nfs/dbraw/zinc/30/50/29/623305029.db2.gz JKYMZOQIPFGBCC-QGZVFWFLSA-N 1 1 301.478 3.060 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C(C)(C)C)cc2)CC1 ZINC000775678994 623312759 /nfs/dbraw/zinc/31/27/59/623312759.db2.gz KVZAZOADAFUTBL-LJQANCHMSA-N 1 1 315.505 3.449 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C(C)(C)C)cc2)CC1 ZINC000775678994 623312764 /nfs/dbraw/zinc/31/27/64/623312764.db2.gz KVZAZOADAFUTBL-LJQANCHMSA-N 1 1 315.505 3.449 20 10 DGCDMO Cc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000775691510 623314499 /nfs/dbraw/zinc/31/44/99/623314499.db2.gz YMMJYMZADRLCIN-CQSZACIVSA-N 1 1 320.433 3.142 20 10 DGCDMO COc1ccc(N(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC(C)C)cc1 ZINC000775987796 623361441 /nfs/dbraw/zinc/36/14/41/623361441.db2.gz ZCWJNLLUAKEFTH-KDURUIRLSA-N 1 1 318.461 3.021 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000776769899 623461438 /nfs/dbraw/zinc/46/14/38/623461438.db2.gz ZAUJHYSSKSELBE-GOSISDBHSA-N 1 1 312.413 3.331 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777438416 623524815 /nfs/dbraw/zinc/52/48/15/623524815.db2.gz MLYIGQDIPGWXOG-QGZVFWFLSA-N 1 1 321.779 3.278 20 10 DGCDMO COCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CC[C@H](C)C1 ZINC000790478758 625659190 /nfs/dbraw/zinc/65/91/90/625659190.db2.gz LTIURTFCUZYHMG-DZGCQCFKSA-N 1 1 323.433 3.046 20 10 DGCDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)c(F)c1[O-] ZINC000876547067 623639842 /nfs/dbraw/zinc/63/98/42/623639842.db2.gz GXLHMLFAGQAMME-UHFFFAOYSA-N 1 1 307.296 3.031 20 10 DGCDMO CC1(C)CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876619402 623661188 /nfs/dbraw/zinc/66/11/88/623661188.db2.gz WTZOVKJOERPVGX-UHFFFAOYSA-N 1 1 302.462 3.270 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3cc(C)ns3)CC2)cc1 ZINC000876631845 623665034 /nfs/dbraw/zinc/66/50/34/623665034.db2.gz XRMNAMVKTHDYDM-UHFFFAOYSA-N 1 1 317.458 3.172 20 10 DGCDMO Cc1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c(O)c1 ZINC000876635598 623666087 /nfs/dbraw/zinc/66/60/87/623666087.db2.gz ZFTXPPGEPYGWKM-QGZVFWFLSA-N 1 1 301.386 3.475 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000876652449 623670414 /nfs/dbraw/zinc/67/04/14/623670414.db2.gz CUIJUKHCCCGFJX-AWEZNQCLSA-N 1 1 320.433 3.047 20 10 DGCDMO Cc1nc2sccn2c1C[N@H+](C)Cc1c(C)cccc1O ZINC000876682718 623681494 /nfs/dbraw/zinc/68/14/94/623681494.db2.gz NOKYHOPUVGGCOY-UHFFFAOYSA-N 1 1 301.415 3.350 20 10 DGCDMO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000876728603 623691175 /nfs/dbraw/zinc/69/11/75/623691175.db2.gz QNSYPAYGQCINTF-CYBMUJFWSA-N 1 1 308.422 3.046 20 10 DGCDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876751359 623696464 /nfs/dbraw/zinc/69/64/64/623696464.db2.gz XIBOHUAWBJPTGH-CVEARBPZSA-N 1 1 302.462 3.268 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000876807469 623710734 /nfs/dbraw/zinc/71/07/34/623710734.db2.gz FASODUOLSUIYHP-RHSMWYFYSA-N 1 1 301.386 3.382 20 10 DGCDMO C[C@@H]1C[C@@H](C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCO1 ZINC000778991589 623717061 /nfs/dbraw/zinc/71/70/61/623717061.db2.gz AQNPFXNPPHPUKK-SOLBZPMBSA-N 1 1 319.445 3.188 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000779032877 623723829 /nfs/dbraw/zinc/72/38/29/623723829.db2.gz LNUBJGLUSFLSNW-UHFFFAOYSA-N 1 1 322.449 3.375 20 10 DGCDMO C[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1O ZINC000779082175 623728397 /nfs/dbraw/zinc/72/83/97/623728397.db2.gz JVHABXLOSNWMBE-GFCCVEGCSA-N 1 1 314.360 3.353 20 10 DGCDMO Oc1ccccc1C[N@H+](Cc1cncc(F)c1)C[C@H]1CCCO1 ZINC000779148078 623735310 /nfs/dbraw/zinc/73/53/10/623735310.db2.gz LZCKAWQOHRFVCK-QGZVFWFLSA-N 1 1 316.376 3.108 20 10 DGCDMO CC[N@@H+](CCC1CC1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877353711 623857982 /nfs/dbraw/zinc/85/79/82/623857982.db2.gz VYRDSCLNPWJABR-UHFFFAOYSA-N 1 1 302.462 3.270 20 10 DGCDMO CC1=C(C)C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877495039 623910883 /nfs/dbraw/zinc/91/08/83/623910883.db2.gz RSQHXQNONQPZEH-UHFFFAOYSA-N 1 1 300.446 3.190 20 10 DGCDMO Cc1ccc(C[N@H+](C)Cc2nc(-c3cccs3)no2)c(O)c1 ZINC000877514966 623918306 /nfs/dbraw/zinc/91/83/06/623918306.db2.gz RTPSBFRJOFGBQE-UHFFFAOYSA-N 1 1 315.398 3.444 20 10 DGCDMO Cc1ccc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)c(O)c1 ZINC000877514966 623918309 /nfs/dbraw/zinc/91/83/09/623918309.db2.gz RTPSBFRJOFGBQE-UHFFFAOYSA-N 1 1 315.398 3.444 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC1(F)F ZINC000877538913 623932611 /nfs/dbraw/zinc/93/26/11/623932611.db2.gz HTUCXPJMNVPVCH-CQSZACIVSA-N 1 1 324.415 3.125 20 10 DGCDMO Cc1ccc(C[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c(O)c1 ZINC000877572915 623948632 /nfs/dbraw/zinc/94/86/32/623948632.db2.gz UEJGXMQFVXRDDL-CYBMUJFWSA-N 1 1 316.367 3.017 20 10 DGCDMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c(O)c1 ZINC000877589770 623953526 /nfs/dbraw/zinc/95/35/26/623953526.db2.gz RDIIBTHFQUWWSO-HXUWFJFHSA-N 1 1 323.392 3.311 20 10 DGCDMO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)c1C ZINC000877664852 623983849 /nfs/dbraw/zinc/98/38/49/623983849.db2.gz WZVZJOONKAPJGS-UHFFFAOYSA-N 1 1 318.440 3.357 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000780788957 623985684 /nfs/dbraw/zinc/98/56/84/623985684.db2.gz FJOBXHSJHFCDIP-CQSZACIVSA-N 1 1 301.361 3.432 20 10 DGCDMO CC(=O)Nc1cccc2c1C[N@@H+](Cc1cc(C)ccc1O)CC2 ZINC000877681963 623990267 /nfs/dbraw/zinc/99/02/67/623990267.db2.gz UMLYSHJQQKTBOA-UHFFFAOYSA-N 1 1 310.397 3.217 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000877820071 624051112 /nfs/dbraw/zinc/05/11/12/624051112.db2.gz GDZWTSBHARCXTN-SMDDNHRTSA-N 1 1 303.324 3.242 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@@H](C(F)(F)F)O1 ZINC000877824303 624056655 /nfs/dbraw/zinc/05/66/55/624056655.db2.gz QZMCXEYPRADATI-ZANVPECISA-N 1 1 307.287 3.073 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1 ZINC000781636928 624111815 /nfs/dbraw/zinc/11/18/15/624111815.db2.gz UWNBZISDQLFEJY-CMPLNLGQSA-N 1 1 314.223 3.120 20 10 DGCDMO Cc1cc(Br)c([O-])c(C[N@@H+](C)Cc2ccc[nH]2)c1 ZINC000781907088 624169187 /nfs/dbraw/zinc/16/91/87/624169187.db2.gz DGFAJSXWICXMHR-UHFFFAOYSA-N 1 1 309.207 3.423 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)Cc2ccc[nH]2)c1 ZINC000781907088 624169188 /nfs/dbraw/zinc/16/91/88/624169188.db2.gz DGFAJSXWICXMHR-UHFFFAOYSA-N 1 1 309.207 3.423 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)Cc2ccc[nH]2)c1 ZINC000781907088 624169191 /nfs/dbraw/zinc/16/91/91/624169191.db2.gz DGFAJSXWICXMHR-UHFFFAOYSA-N 1 1 309.207 3.423 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCOC4(CCC4)C3)c2c1 ZINC000129638053 625708973 /nfs/dbraw/zinc/70/89/73/625708973.db2.gz QCULHCOFKHNFHL-UHFFFAOYSA-N 1 1 313.397 3.309 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccccc1O ZINC000805749220 624378123 /nfs/dbraw/zinc/37/81/23/624378123.db2.gz WQGUVPNQGAOWHK-ZJUUUORDSA-N 1 1 322.206 3.357 20 10 DGCDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000783718026 624387041 /nfs/dbraw/zinc/38/70/41/624387041.db2.gz NPOBIYNUAZPZCV-OAHLLOKOSA-N 1 1 316.367 3.296 20 10 DGCDMO CN1C[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C[C@@H]2C1 ZINC000787305723 624999501 /nfs/dbraw/zinc/99/95/01/624999501.db2.gz NUJQOAYIPXOYRP-KDURUIRLSA-N 1 1 308.425 3.053 20 10 DGCDMO CN1C[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)C[C@@H]2C1 ZINC000787305723 624999502 /nfs/dbraw/zinc/99/95/02/624999502.db2.gz NUJQOAYIPXOYRP-KDURUIRLSA-N 1 1 308.425 3.053 20 10 DGCDMO Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788584416 625222108 /nfs/dbraw/zinc/22/21/08/625222108.db2.gz OYHKKGIQKJIEMS-SNVBAGLBSA-N 1 1 313.323 3.267 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)[C@@H]1CCOC1 ZINC000788816549 625275345 /nfs/dbraw/zinc/27/53/45/625275345.db2.gz SNTMPQGMKYFDFN-OUAUKWLOSA-N 1 1 303.324 3.487 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1O ZINC000788816548 625275732 /nfs/dbraw/zinc/27/57/32/625275732.db2.gz SNTMPQGMKYFDFN-GARJFASQSA-N 1 1 303.324 3.487 20 10 DGCDMO Cc1csc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)n1 ZINC000790950619 625720041 /nfs/dbraw/zinc/72/00/41/625720041.db2.gz QEJGXMAMMVWRDB-UHFFFAOYSA-N 1 1 300.786 3.282 20 10 DGCDMO C[C@H]1CCCCN1CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790949750 625720679 /nfs/dbraw/zinc/72/06/79/625720679.db2.gz OMXOUAKFDDLDMB-NSHDSACASA-N 1 1 300.805 3.149 20 10 DGCDMO CC1(C)[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@H]2CCCO[C@H]21 ZINC000790973475 625727088 /nfs/dbraw/zinc/72/70/88/625727088.db2.gz PEYKDIDUACQPFB-DFKRKDTASA-N 1 1 313.800 3.478 20 10 DGCDMO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790973584 625727124 /nfs/dbraw/zinc/72/71/24/625727124.db2.gz ODSFRZRVWMRQCU-AWEZNQCLSA-N 1 1 303.761 3.006 20 10 DGCDMO Cc1cccc(NCC[NH2+]Cc2c(O)ccc(Cl)c2F)n1 ZINC000790975043 625727204 /nfs/dbraw/zinc/72/72/04/625727204.db2.gz ZICXDCAJINRBEF-UHFFFAOYSA-N 1 1 309.772 3.090 20 10 DGCDMO CC(C)[C@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000790982729 625729984 /nfs/dbraw/zinc/72/99/84/625729984.db2.gz XNACOSFLAXEYFG-IINYFYTJSA-N 1 1 301.789 3.478 20 10 DGCDMO C[C@]1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCO[C@@H]1C1CC1 ZINC000790990918 625732682 /nfs/dbraw/zinc/73/26/82/625732682.db2.gz NIYHYKLIBAZOLH-HZPDHXFCSA-N 1 1 313.800 3.480 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000882887605 625846145 /nfs/dbraw/zinc/84/61/45/625846145.db2.gz AGRACLHLGKJBFY-ZDUSSCGKSA-N 1 1 318.367 3.287 20 10 DGCDMO COc1ccccc1OCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000882979016 625881644 /nfs/dbraw/zinc/88/16/44/625881644.db2.gz KWVCKKSHYZNLQO-UHFFFAOYSA-N 1 1 323.339 3.238 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000882996601 625890425 /nfs/dbraw/zinc/89/04/25/625890425.db2.gz YMRVFTBCORBAPP-UHFFFAOYSA-N 1 1 321.323 3.006 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H](O)c1ccc(F)cc1 ZINC000883003791 625895060 /nfs/dbraw/zinc/89/50/60/625895060.db2.gz HXONSJOEPJETFI-BJOHPYRUSA-N 1 1 311.303 3.021 20 10 DGCDMO CCC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccccc1O ZINC000130725658 625896748 /nfs/dbraw/zinc/89/67/48/625896748.db2.gz LDRPNJLETIEFIB-UHFFFAOYSA-N 1 1 304.434 3.007 20 10 DGCDMO CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883073513 625917324 /nfs/dbraw/zinc/91/73/24/625917324.db2.gz SAGIVFQELOCCJN-CYBMUJFWSA-N 1 1 312.404 3.128 20 10 DGCDMO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883079490 625919026 /nfs/dbraw/zinc/91/90/26/625919026.db2.gz VTHGHLNFPXBRJP-MEDUHNTESA-N 1 1 307.340 3.272 20 10 DGCDMO CCOc1cccc(C[N@@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c1O ZINC000792192313 625923050 /nfs/dbraw/zinc/92/30/50/625923050.db2.gz HQBYSARVRFZAAN-GDBMZVCRSA-N 1 1 307.434 3.428 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c1 ZINC000792193714 625923558 /nfs/dbraw/zinc/92/35/58/625923558.db2.gz YXNQRLQVCUCZRG-GDBMZVCRSA-N 1 1 307.434 3.428 20 10 DGCDMO Oc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C2 ZINC000883104455 625929453 /nfs/dbraw/zinc/92/94/53/625929453.db2.gz AEJNQUHRNOWRBP-CQSZACIVSA-N 1 1 305.324 3.023 20 10 DGCDMO CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883132061 625937935 /nfs/dbraw/zinc/93/79/35/625937935.db2.gz DVQPXTDHOONHKY-SNVBAGLBSA-N 1 1 313.266 3.118 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@](C)(O)c1ccccc1 ZINC000883157948 625946859 /nfs/dbraw/zinc/94/68/59/625946859.db2.gz PHDVRSFOWDYLNR-PIGZYNQJSA-N 1 1 307.340 3.056 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000796772267 626081143 /nfs/dbraw/zinc/08/11/43/626081143.db2.gz PQWIAKNWJBEUHB-QRVBRYPASA-N 1 1 301.478 3.023 20 10 DGCDMO CC[C@@H]([NH2+]CCCNc1ccccn1)c1ccc(F)cc1O ZINC000796794955 626083723 /nfs/dbraw/zinc/08/37/23/626083723.db2.gz ZJIKKHVIKKRHEU-OAHLLOKOSA-N 1 1 303.381 3.469 20 10 DGCDMO CC[C@H]([NH2+][C@@H](CO)c1ccccc1OC)c1ccc(F)cc1O ZINC000796818462 626086114 /nfs/dbraw/zinc/08/61/14/626086114.db2.gz UTHJHTZNBBGNRD-HOTGVXAUSA-N 1 1 319.376 3.314 20 10 DGCDMO CC[C@@H]([NH2+][C@H](CO)Cc1ccc(C)cc1)c1ccc(F)cc1O ZINC000796959524 626100125 /nfs/dbraw/zinc/10/01/25/626100125.db2.gz RADZUEXAQMRSDG-FUHWJXTLSA-N 1 1 317.404 3.484 20 10 DGCDMO C[C@H](CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)[S@](C)=O ZINC000798181490 626200504 /nfs/dbraw/zinc/20/05/04/626200504.db2.gz KPLBNRJYKBVIFH-ULQSSITMSA-N 1 1 323.380 3.219 20 10 DGCDMO C[NH+]1CCC2(CCC[N@H+](Cc3c([O-])cccc3Cl)C2)CC1 ZINC000798956784 626262403 /nfs/dbraw/zinc/26/24/03/626262403.db2.gz ORFGJOYOYWFJCH-UHFFFAOYSA-N 1 1 308.853 3.353 20 10 DGCDMO C[NH+]1CCC2(CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)CC1 ZINC000798956784 626262406 /nfs/dbraw/zinc/26/24/06/626262406.db2.gz ORFGJOYOYWFJCH-UHFFFAOYSA-N 1 1 308.853 3.353 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000800535803 626366854 /nfs/dbraw/zinc/36/68/54/626366854.db2.gz HZBUBVJUQBMTEZ-UHFFFAOYSA-N 1 1 301.361 3.407 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)Cc1nc(CC)cc(=O)[nH]1 ZINC000801596367 626411371 /nfs/dbraw/zinc/41/13/71/626411371.db2.gz WUDVLTGDEVCTCW-UHFFFAOYSA-N 1 1 315.417 3.253 20 10 DGCDMO CCCC[N@@H+](Cc1c[nH]c(C(=O)OC)c1)Cc1ccccc1O ZINC000802657441 626565187 /nfs/dbraw/zinc/56/51/87/626565187.db2.gz DROATWVKTYSCJL-UHFFFAOYSA-N 1 1 316.401 3.309 20 10 DGCDMO CC[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(F)cc1O ZINC000883276741 626633939 /nfs/dbraw/zinc/63/39/39/626633939.db2.gz OXYSJWBSXBJEMU-CJNGLKHVSA-N 1 1 307.365 3.016 20 10 DGCDMO CN(C)c1ccc(/C=C/C[NH2+]C2(c3ncccn3)CCC2)cc1 ZINC000883306545 626640861 /nfs/dbraw/zinc/64/08/61/626640861.db2.gz XZJWHKSOLYDFDW-ZZXKWVIFSA-N 1 1 308.429 3.225 20 10 DGCDMO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000806137156 626701230 /nfs/dbraw/zinc/70/12/30/626701230.db2.gz HIGKSKZEIXDONY-WMZOPIPTSA-N 1 1 319.468 3.246 20 10 DGCDMO COc1cc(C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)c(O)cc1C ZINC000840143656 626857063 /nfs/dbraw/zinc/85/70/63/626857063.db2.gz WERQOAUXDSAHEL-IRXDYDNUSA-N 1 1 305.418 3.099 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H]([C@H]3CCCO3)C1)CCCC2 ZINC000884481522 626887678 /nfs/dbraw/zinc/88/76/78/626887678.db2.gz MCLIOJMSGPYJBT-QFBILLFUSA-N 1 1 301.430 3.272 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H]([C@@H]3CCCO3)C1)CCCC2 ZINC000884481521 626888035 /nfs/dbraw/zinc/88/80/35/626888035.db2.gz MCLIOJMSGPYJBT-LPHOPBHVSA-N 1 1 301.430 3.272 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809578743 626922677 /nfs/dbraw/zinc/92/26/77/626922677.db2.gz PPYZZVOOGCJYMF-FQEVSTJZSA-N 1 1 322.452 3.470 20 10 DGCDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)cc(C)c2O)C1 ZINC000809692996 626937565 /nfs/dbraw/zinc/93/75/65/626937565.db2.gz LGRUPPGBFXMKGF-BETUJISGSA-N 1 1 314.223 3.072 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c(O)c1 ZINC000809693731 626937647 /nfs/dbraw/zinc/93/76/47/626937647.db2.gz ZWBVVHCGHKJDAG-MRXNPFEDSA-N 1 1 301.390 3.241 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c(O)c1 ZINC000809693731 626937649 /nfs/dbraw/zinc/93/76/49/626937649.db2.gz ZWBVVHCGHKJDAG-MRXNPFEDSA-N 1 1 301.390 3.241 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c(O)c1 ZINC000809700706 626938723 /nfs/dbraw/zinc/93/87/23/626938723.db2.gz MWNAIOJHIWETMY-GOEBONIOSA-N 1 1 307.434 3.306 20 10 DGCDMO COc1cccc(C[N@@H+](CCN(C)C)CC2CCCCC2)c1O ZINC000809736691 626943666 /nfs/dbraw/zinc/94/36/66/626943666.db2.gz GBORHXANGKHYKE-UHFFFAOYSA-N 1 1 320.477 3.345 20 10 DGCDMO Oc1ccccc1C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000809767273 626949332 /nfs/dbraw/zinc/94/93/32/626949332.db2.gz IGEDZAPEOSWXKV-INIZCTEOSA-N 1 1 307.397 3.407 20 10 DGCDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809768066 626949852 /nfs/dbraw/zinc/94/98/52/626949852.db2.gz BJICKYNCINSRST-GDBMZVCRSA-N 1 1 306.425 3.425 20 10 DGCDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809768068 626949920 /nfs/dbraw/zinc/94/99/20/626949920.db2.gz BJICKYNCINSRST-HOCLYGCPSA-N 1 1 306.425 3.425 20 10 DGCDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000809767813 626949959 /nfs/dbraw/zinc/94/99/59/626949959.db2.gz UYAGFUAUQVWIQB-MRXNPFEDSA-N 1 1 308.491 3.097 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C4CC4)C3)cc2)CC1 ZINC000809786798 626953035 /nfs/dbraw/zinc/95/30/35/626953035.db2.gz LFNDMBJHFQCFGF-LJQANCHMSA-N 1 1 313.489 3.060 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H](C4CC4)C3)cc2)CC1 ZINC000809786798 626953037 /nfs/dbraw/zinc/95/30/37/626953037.db2.gz LFNDMBJHFQCFGF-LJQANCHMSA-N 1 1 313.489 3.060 20 10 DGCDMO Oc1cccc(Cl)c1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000809790055 626953920 /nfs/dbraw/zinc/95/39/20/626953920.db2.gz VJMBGEHYXOYZRD-UHFFFAOYSA-N 1 1 317.772 3.419 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000809790055 626953922 /nfs/dbraw/zinc/95/39/22/626953922.db2.gz VJMBGEHYXOYZRD-UHFFFAOYSA-N 1 1 317.772 3.419 20 10 DGCDMO CC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(Cl)ccc1O ZINC000810254766 626993141 /nfs/dbraw/zinc/99/31/41/626993141.db2.gz RATAAMQJJXUWJW-WCQYABFASA-N 1 1 305.809 3.367 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C[C@@H]2C[C@@]23CCOC3)C2CC2)cc1 ZINC000885960774 627070685 /nfs/dbraw/zinc/07/06/85/627070685.db2.gz PHBWCFSUJZJTAL-QFBILLFUSA-N 1 1 300.446 3.144 20 10 DGCDMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@@H]1C[C@@]12CCOC2 ZINC000886064743 627097529 /nfs/dbraw/zinc/09/75/29/627097529.db2.gz HPNJGSGKZZPCKE-QFBILLFUSA-N 1 1 313.397 3.414 20 10 DGCDMO COc1ccc(OC)c(C[NH2+][C@@H](C)c2c(O)cccc2F)c1 ZINC000886494974 627152888 /nfs/dbraw/zinc/15/28/88/627152888.db2.gz COVFTBHXODYKJZ-NSHDSACASA-N 1 1 305.349 3.399 20 10 DGCDMO COc1ccc(C[NH2+][C@H](C)c2c(O)cccc2F)c(OC)c1 ZINC000886507465 627154601 /nfs/dbraw/zinc/15/46/01/627154601.db2.gz MCOKUSWSAJHTDL-LLVKDONJSA-N 1 1 305.349 3.399 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886527919 627157120 /nfs/dbraw/zinc/15/71/20/627157120.db2.gz CKVZNDYHOKNKRC-DINDLPBHSA-N 1 1 307.340 3.443 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1c(O)cccc1F ZINC000886588707 627168780 /nfs/dbraw/zinc/16/87/80/627168780.db2.gz XSCIHDKLIHXGKH-ZFWWWQNUSA-N 1 1 303.377 3.176 20 10 DGCDMO C[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1c(O)cccc1F ZINC000886594149 627169297 /nfs/dbraw/zinc/16/92/97/627169297.db2.gz GUPIRHGTPDOSEK-GFCCVEGCSA-N 1 1 314.360 3.353 20 10 DGCDMO CCN(CC[NH2+][C@@H](C)c1c(O)cccc1F)CCC(F)(F)F ZINC000886598994 627170665 /nfs/dbraw/zinc/17/06/65/627170665.db2.gz OTBZRHFTFHHFNN-NSHDSACASA-N 1 1 322.346 3.456 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)[C@@](C)(O)c1ccccc1 ZINC000886631711 627177323 /nfs/dbraw/zinc/17/73/23/627177323.db2.gz UTYMPLHYOQSJHI-VEVIJQCQSA-N 1 1 303.377 3.478 20 10 DGCDMO C[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1c(O)cccc1F ZINC000886648474 627179853 /nfs/dbraw/zinc/17/98/53/627179853.db2.gz UVCPPHISGKBNSH-LBPRGKRZSA-N 1 1 313.376 3.311 20 10 DGCDMO CC[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1O ZINC000886676696 627187434 /nfs/dbraw/zinc/18/74/34/627187434.db2.gz KSJLYGLJCDEJKT-WBVHZDCISA-N 1 1 321.367 3.315 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](CC3(SC)CCC3)CC2)cc1 ZINC000811458312 627276976 /nfs/dbraw/zinc/27/69/76/627276976.db2.gz SVZIQZFWLMCZRB-UHFFFAOYSA-N 1 1 320.502 3.493 20 10 DGCDMO COc1ccc(O)c(CN2C[C@@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC000811508490 627283511 /nfs/dbraw/zinc/28/35/11/627283511.db2.gz SEQICDXBZGRDAN-KRWDZBQOSA-N 1 1 324.424 3.385 20 10 DGCDMO CCCC[N@H+](C)C[C@@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000811511229 627284730 /nfs/dbraw/zinc/28/47/30/627284730.db2.gz FXNUPEGWJPTBGH-GFCCVEGCSA-N 1 1 314.857 3.264 20 10 DGCDMO CCCC[N@@H+](C)C[C@@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000811511229 627284733 /nfs/dbraw/zinc/28/47/33/627284733.db2.gz FXNUPEGWJPTBGH-GFCCVEGCSA-N 1 1 314.857 3.264 20 10 DGCDMO Cc1cccc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1O ZINC000811513588 627286166 /nfs/dbraw/zinc/28/61/66/627286166.db2.gz XLCMVFWGANEPAV-GOSISDBHSA-N 1 1 308.425 3.338 20 10 DGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)CCC3)[C@@H]1[C@H]1CCCO1 ZINC000811778265 627320624 /nfs/dbraw/zinc/32/06/24/627320624.db2.gz LDVMLJAVNVRNMM-QZTJIDSGSA-N 1 1 301.430 3.270 20 10 DGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)CCC3)[C@@H]1[C@@H]1CCCO1 ZINC000811778269 627320805 /nfs/dbraw/zinc/32/08/05/627320805.db2.gz LDVMLJAVNVRNMM-ZWKOTPCHSA-N 1 1 301.430 3.270 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000811803031 627322606 /nfs/dbraw/zinc/32/26/06/627322606.db2.gz GRJQAYUEYBBFSC-OAHLLOKOSA-N 1 1 305.809 3.306 20 10 DGCDMO CC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)C[C@@H](C)OC ZINC000812303311 627369261 /nfs/dbraw/zinc/36/92/61/627369261.db2.gz OKPCTQYYKOTSTF-CYBMUJFWSA-N 1 1 303.402 3.411 20 10 DGCDMO COCC[C@@H]1COCC[N@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000812302387 627369279 /nfs/dbraw/zinc/36/92/79/627369279.db2.gz WNKKIANIRQHMRS-MRXNPFEDSA-N 1 1 321.461 3.235 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000814178504 627547311 /nfs/dbraw/zinc/54/73/11/627547311.db2.gz SKQKYFKBJFETDF-LJQANCHMSA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000814178504 627547313 /nfs/dbraw/zinc/54/73/13/627547313.db2.gz SKQKYFKBJFETDF-LJQANCHMSA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000814178504 627547315 /nfs/dbraw/zinc/54/73/15/627547315.db2.gz SKQKYFKBJFETDF-LJQANCHMSA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000814178504 627547318 /nfs/dbraw/zinc/54/73/18/627547318.db2.gz SKQKYFKBJFETDF-LJQANCHMSA-N 1 1 301.478 3.060 20 10 DGCDMO Cc1cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1N(C)C ZINC000815054067 627619973 /nfs/dbraw/zinc/61/99/73/627619973.db2.gz FXDHSKIVYHPQKP-SFHVURJKSA-N 1 1 303.494 3.367 20 10 DGCDMO Cc1cc(CN(C)CC[C@@H]2CCCC[N@H+]2C)ccc1N(C)C ZINC000815054067 627619974 /nfs/dbraw/zinc/61/99/74/627619974.db2.gz FXDHSKIVYHPQKP-SFHVURJKSA-N 1 1 303.494 3.367 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)cc1O ZINC000815060511 627621492 /nfs/dbraw/zinc/62/14/92/627621492.db2.gz VEALFLWFKQDFSK-UHFFFAOYSA-N 1 1 314.429 3.407 20 10 DGCDMO Cc1cc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)ccc1N(C)C ZINC000815074245 627623063 /nfs/dbraw/zinc/62/30/63/627623063.db2.gz NEQMWYOBLKLCNY-SFHVURJKSA-N 1 1 312.461 3.304 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)ccc1N(C)C ZINC000815103705 627626683 /nfs/dbraw/zinc/62/66/83/627626683.db2.gz SEMFKZPTJWBEHB-GOSISDBHSA-N 1 1 311.429 3.109 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000815103966 627627009 /nfs/dbraw/zinc/62/70/09/627627009.db2.gz WREUTPSUTNIBHP-LJQANCHMSA-N 1 1 311.429 3.191 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](N3CCCC3)[C@H]2C)ccc1N(C)C ZINC000815118665 627629689 /nfs/dbraw/zinc/62/96/89/627629689.db2.gz QYRMEVIPPBEJTF-APWZRJJASA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@H](N3CCCC3)[C@H]2C)ccc1N(C)C ZINC000815118665 627629690 /nfs/dbraw/zinc/62/96/90/627629690.db2.gz QYRMEVIPPBEJTF-APWZRJJASA-N 1 1 301.478 3.120 20 10 DGCDMO C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccc(C(F)(F)F)c1O ZINC000815585986 627688404 /nfs/dbraw/zinc/68/84/04/627688404.db2.gz WTXZRCBLMLRZMD-NEPJUHHUSA-N 1 1 316.367 3.403 20 10 DGCDMO CO[C@@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)C1CC1 ZINC000815651678 627694880 /nfs/dbraw/zinc/69/48/80/627694880.db2.gz ZUHLJBFQFUPDGC-RNCFNFMXSA-N 1 1 303.324 3.487 20 10 DGCDMO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816517467 627799622 /nfs/dbraw/zinc/79/96/22/627799622.db2.gz QQIYJLFFMMZLKC-INIZCTEOSA-N 1 1 308.385 3.011 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000816532872 627803396 /nfs/dbraw/zinc/80/33/96/627803396.db2.gz YWNSYXZPILQSNH-LBPRGKRZSA-N 1 1 307.752 3.278 20 10 DGCDMO Cc1cccc2nc(C[NH2+]Cc3cc(Cl)c(F)cc3O)cn21 ZINC000816546963 627804943 /nfs/dbraw/zinc/80/49/43/627804943.db2.gz DJCWVTLBWCLSLK-UHFFFAOYSA-N 1 1 319.767 3.431 20 10 DGCDMO CC(C)CC[C@](C)(O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816552761 627806489 /nfs/dbraw/zinc/80/64/89/627806489.db2.gz VLMARLXLEBJHLC-HNNXBMFYSA-N 1 1 303.805 3.462 20 10 DGCDMO OC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1CCCCC1 ZINC000816554275 627806632 /nfs/dbraw/zinc/80/66/32/627806632.db2.gz UAAQGMINRCWFOW-CQSZACIVSA-N 1 1 301.789 3.216 20 10 DGCDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816594944 627812196 /nfs/dbraw/zinc/81/21/96/627812196.db2.gz UDHVTCIPOQMTHF-PWSUYJOCSA-N 1 1 301.789 3.310 20 10 DGCDMO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816594944 627812197 /nfs/dbraw/zinc/81/21/97/627812197.db2.gz UDHVTCIPOQMTHF-PWSUYJOCSA-N 1 1 301.789 3.310 20 10 DGCDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816594944 627812199 /nfs/dbraw/zinc/81/21/99/627812199.db2.gz UDHVTCIPOQMTHF-PWSUYJOCSA-N 1 1 301.789 3.310 20 10 DGCDMO CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816610871 627814657 /nfs/dbraw/zinc/81/46/57/627814657.db2.gz BJFJGWJFTIDJAK-UHFFFAOYSA-N 1 1 314.832 3.493 20 10 DGCDMO CC(C)[C@@]1(CO)CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000816662142 627821762 /nfs/dbraw/zinc/82/17/62/627821762.db2.gz IPUKEEJFGJTERJ-INIZCTEOSA-N 1 1 315.816 3.415 20 10 DGCDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000816662142 627821766 /nfs/dbraw/zinc/82/17/66/627821766.db2.gz IPUKEEJFGJTERJ-INIZCTEOSA-N 1 1 315.816 3.415 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000816666000 627822743 /nfs/dbraw/zinc/82/27/43/627822743.db2.gz BPDCOODJUAGWLO-IAGOWNOFSA-N 1 1 307.821 3.497 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000816666000 627822744 /nfs/dbraw/zinc/82/27/44/627822744.db2.gz BPDCOODJUAGWLO-IAGOWNOFSA-N 1 1 307.821 3.497 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](O)CC2)c(C(F)(F)F)c1 ZINC000816667628 627823609 /nfs/dbraw/zinc/82/36/09/627823609.db2.gz RWFKVYYEUDQBAY-AWEZNQCLSA-N 1 1 316.367 3.118 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000816667800 627823851 /nfs/dbraw/zinc/82/38/51/627823851.db2.gz XHQNBFUHIKLJMR-MRXNPFEDSA-N 1 1 305.418 3.182 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)C2CC(OC(C)(C)C)C2)cc1OC ZINC000817374296 627891174 /nfs/dbraw/zinc/89/11/74/627891174.db2.gz WBFRQPSBDKHROV-UHFFFAOYSA-N 1 1 323.433 3.187 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H](NC(C)=O)C2)cc1 ZINC000817413103 627895828 /nfs/dbraw/zinc/89/58/28/627895828.db2.gz UBLBPXSPHPXGCO-GOSISDBHSA-N 1 1 317.477 3.023 20 10 DGCDMO C[C@H](NCc1ccc(N(C)C2CCCCC2)cc1)C1C[NH2+]C1 ZINC000817897182 627955673 /nfs/dbraw/zinc/95/56/73/627955673.db2.gz GQBLSVRHXYNYIH-HNNXBMFYSA-N 1 1 301.478 3.153 20 10 DGCDMO CC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817937638 627966895 /nfs/dbraw/zinc/96/68/95/627966895.db2.gz YQWXOYPCORJSPA-ZDUSSCGKSA-N 1 1 302.340 3.204 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCCNC1)c1ccc(N2CCCCCC2)cc1 ZINC000817940075 627967603 /nfs/dbraw/zinc/96/76/03/627967603.db2.gz DDSGCTXGUGVHHZ-SJLPKXTDSA-N 1 1 301.478 3.470 20 10 DGCDMO COc1cccc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817939033 627967969 /nfs/dbraw/zinc/96/79/69/627967969.db2.gz XZISWMMIWWMLIE-IFXJQAMLSA-N 1 1 313.445 3.112 20 10 DGCDMO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817945615 627970659 /nfs/dbraw/zinc/97/06/59/627970659.db2.gz HVFSSQNUBLUIQB-HZPDHXFCSA-N 1 1 319.468 3.466 20 10 DGCDMO Cc1cc(Br)cc([C@@H](C)NC[C@H]([NH3+])C(C)C)c1O ZINC000817958767 627975079 /nfs/dbraw/zinc/97/50/79/627975079.db2.gz MHATWOARCQPWCF-MFKMUULPSA-N 1 1 315.255 3.097 20 10 DGCDMO [NH3+]CC(F)(F)CN[C@@H](CCc1ccccc1)c1ccccc1O ZINC000817968410 627978847 /nfs/dbraw/zinc/97/88/47/627978847.db2.gz RWOIUJYHGPPKAT-INIZCTEOSA-N 1 1 320.383 3.250 20 10 DGCDMO C[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(N2CCCCCC2)cc1 ZINC000817977039 627981472 /nfs/dbraw/zinc/98/14/72/627981472.db2.gz ZQLMVIVQRFNEKJ-NJAFHUGGSA-N 1 1 319.468 3.418 20 10 DGCDMO CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C)c3c(O)cccc3F)C2)n1 ZINC000927054524 628003532 /nfs/dbraw/zinc/00/35/32/628003532.db2.gz VRTCQNVMNZDFPB-TUAOUCFPSA-N 1 1 319.380 3.464 20 10 DGCDMO CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)c3c(O)cccc3F)C2)n1 ZINC000927054525 628003688 /nfs/dbraw/zinc/00/36/88/628003688.db2.gz VRTCQNVMNZDFPB-UTUOFQBUSA-N 1 1 319.380 3.464 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(Cl)cc1O ZINC000927056909 628003954 /nfs/dbraw/zinc/00/39/54/628003954.db2.gz NXIWQKQUDSOWMP-VGKMCQHDSA-N 1 1 311.809 3.379 20 10 DGCDMO CC(C)[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1cnn(C)c1 ZINC000927069168 628007588 /nfs/dbraw/zinc/00/75/88/628007588.db2.gz LKKLJLGBNNQOSW-BMIGLBTASA-N 1 1 309.360 3.452 20 10 DGCDMO C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)cc(F)c1[O-])CC[NH2+]CC2 ZINC000818430859 628022233 /nfs/dbraw/zinc/02/22/33/628022233.db2.gz AEXCBGJRQALTOY-LLVKDONJSA-N 1 1 312.816 3.149 20 10 DGCDMO C[C@H]1CC2(C[N@H+]1Cc1c([O-])ccc(Cl)c1F)CC[NH2+]CC2 ZINC000818431607 628022582 /nfs/dbraw/zinc/02/25/82/628022582.db2.gz PUJDTCPNTWZPIA-NSHDSACASA-N 1 1 312.816 3.149 20 10 DGCDMO Cc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1O ZINC000822530198 628462182 /nfs/dbraw/zinc/46/21/82/628462182.db2.gz TVOHUINNIBVWOU-SFHVURJKSA-N 1 1 301.430 3.482 20 10 DGCDMO C[C@]1(F)CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000824472366 628663247 /nfs/dbraw/zinc/66/32/47/628663247.db2.gz RBQULNCXFVQTMH-ZDUSSCGKSA-N 1 1 302.187 3.479 20 10 DGCDMO C[C@]1(F)CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000824472366 628663248 /nfs/dbraw/zinc/66/32/48/628663248.db2.gz RBQULNCXFVQTMH-ZDUSSCGKSA-N 1 1 302.187 3.479 20 10 DGCDMO CN(C)c1ccc(C[NH2+][C@H]2CCn3ccnc32)c(C(F)(F)F)c1 ZINC000824527178 628667066 /nfs/dbraw/zinc/66/70/66/628667066.db2.gz SLIGWWJIWHOULX-AWEZNQCLSA-N 1 1 324.350 3.203 20 10 DGCDMO C[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)Cc1ccccc1O ZINC000824593159 628675042 /nfs/dbraw/zinc/67/50/42/628675042.db2.gz LSJWYOSLUGQTPX-SFHVURJKSA-N 1 1 313.397 3.192 20 10 DGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H]2C2CC2)c1O ZINC000824650153 628680307 /nfs/dbraw/zinc/68/03/07/628680307.db2.gz KDZGOIPTCZUXGU-LBPRGKRZSA-N 1 1 312.207 3.148 20 10 DGCDMO CC[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000824653766 628680579 /nfs/dbraw/zinc/68/05/79/628680579.db2.gz HHYWCALRKJLXMM-NWDGAFQWSA-N 1 1 308.378 3.225 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O ZINC000824696310 628684810 /nfs/dbraw/zinc/68/48/10/628684810.db2.gz KXJURFRMTFENJT-BBWFWOEESA-N 1 1 319.445 3.306 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H](CCO)C2)c(O)c(C(C)(C)C)c1 ZINC000824719165 628687197 /nfs/dbraw/zinc/68/71/97/628687197.db2.gz CKWJMBGAWXZHQJ-CQSZACIVSA-N 1 1 321.461 3.293 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC1(CF)CCOCC1 ZINC000824794362 628693782 /nfs/dbraw/zinc/69/37/82/628693782.db2.gz DGEIIQZOKCECSN-UHFFFAOYSA-N 1 1 305.752 3.041 20 10 DGCDMO CO[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C[C@@H]1C ZINC000824814615 628696679 /nfs/dbraw/zinc/69/66/79/628696679.db2.gz BVYWRTIMJRFLGC-GWCFXTLKSA-N 1 1 314.223 3.012 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C[C@@H]1C ZINC000824814615 628696680 /nfs/dbraw/zinc/69/66/80/628696680.db2.gz BVYWRTIMJRFLGC-GWCFXTLKSA-N 1 1 314.223 3.012 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000824893532 628704037 /nfs/dbraw/zinc/70/40/37/628704037.db2.gz UVUKHWFAGIQYAZ-SJORKVTESA-N 1 1 317.429 3.182 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000824933043 628708555 /nfs/dbraw/zinc/70/85/55/628708555.db2.gz ATLPQPPEKUDHKR-XJKSGUPXSA-N 1 1 308.853 3.270 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000824933043 628708557 /nfs/dbraw/zinc/70/85/57/628708557.db2.gz ATLPQPPEKUDHKR-XJKSGUPXSA-N 1 1 308.853 3.270 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000824932392 628708909 /nfs/dbraw/zinc/70/89/09/628708909.db2.gz OBWHYMVNWZOAFF-UHFFFAOYSA-N 1 1 320.433 3.271 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000824940914 628709608 /nfs/dbraw/zinc/70/96/08/628709608.db2.gz FQKSRBFYTKDPEL-PMACEKPBSA-N 1 1 312.457 3.144 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCOCC23CCCCC3)c(O)c1 ZINC000825098139 628727445 /nfs/dbraw/zinc/72/74/45/628727445.db2.gz AZYCQWVNCJQVNX-UHFFFAOYSA-N 1 1 305.418 3.326 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1c1ccco1)OCO2 ZINC000825104034 628728195 /nfs/dbraw/zinc/72/81/95/628728195.db2.gz LATTWRMOVYPXPY-KRWDZBQOSA-N 1 1 313.353 3.441 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1c1ccco1)OCO2 ZINC000825104034 628728197 /nfs/dbraw/zinc/72/81/97/628728197.db2.gz LATTWRMOVYPXPY-KRWDZBQOSA-N 1 1 313.353 3.441 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124152 628730518 /nfs/dbraw/zinc/73/05/18/628730518.db2.gz IVXCEYURVVDXKL-TVQRCGJNSA-N 1 1 323.742 3.099 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)c1 ZINC000825293779 628747437 /nfs/dbraw/zinc/74/74/37/628747437.db2.gz AWVNLXPOMRNRMZ-UHFFFAOYSA-N 1 1 316.367 3.159 20 10 DGCDMO CCOc1cccc(C[N@@H+](CCO)Cc2cc(C)ccc2O)c1 ZINC000825299047 628747792 /nfs/dbraw/zinc/74/77/92/628747792.db2.gz AEJUMKXODSULLW-UHFFFAOYSA-N 1 1 315.413 3.094 20 10 DGCDMO COc1cc(C[NH2+][C@H](C)c2nc(C)no2)c(O)c(C(C)(C)C)c1 ZINC000825680031 628785184 /nfs/dbraw/zinc/78/51/84/628785184.db2.gz BBCIRZVNRVJXBK-SNVBAGLBSA-N 1 1 319.405 3.241 20 10 DGCDMO COc1cc(C[N@@H+](C)CCCCCO)c(O)c(C(C)(C)C)c1 ZINC000825726880 628790988 /nfs/dbraw/zinc/79/09/88/628790988.db2.gz XYOGVIRKFUOFSJ-UHFFFAOYSA-N 1 1 309.450 3.293 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)c1O ZINC000826878129 628898526 /nfs/dbraw/zinc/89/85/26/628898526.db2.gz UHUNUNFMLNXGKM-INIZCTEOSA-N 1 1 311.809 3.055 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCO[C@](C)(C3CC3)C2)c1O ZINC000826878129 628898528 /nfs/dbraw/zinc/89/85/28/628898528.db2.gz UHUNUNFMLNXGKM-INIZCTEOSA-N 1 1 311.809 3.055 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000827151697 628929156 /nfs/dbraw/zinc/92/91/56/628929156.db2.gz IGLJGNMTAUVSHJ-SIEMBAAWSA-N 1 1 300.446 3.003 20 10 DGCDMO O[C@]1(C2CC2)CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000827151921 628929205 /nfs/dbraw/zinc/92/92/05/628929205.db2.gz NGICXRWTBQHBGI-HXUWFJFHSA-N 1 1 314.473 3.414 20 10 DGCDMO CCc1cccc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)c1O ZINC000827259438 628942539 /nfs/dbraw/zinc/94/25/39/628942539.db2.gz FFMQIMWQHSUEEL-KRWDZBQOSA-N 1 1 302.462 3.451 20 10 DGCDMO CCc1cccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)c1O ZINC000827259438 628942540 /nfs/dbraw/zinc/94/25/40/628942540.db2.gz FFMQIMWQHSUEEL-KRWDZBQOSA-N 1 1 302.462 3.451 20 10 DGCDMO COc1ccnc(C[NH2+]Cc2cc(Cl)cc(C)c2O)c1F ZINC000827260270 628942653 /nfs/dbraw/zinc/94/26/53/628942653.db2.gz NAJDVLCMCUXVGW-UHFFFAOYSA-N 1 1 310.756 3.187 20 10 DGCDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000827283660 628945104 /nfs/dbraw/zinc/94/51/04/628945104.db2.gz RCCOIDZHAKYQNJ-IEBWSBKVSA-N 1 1 300.446 3.145 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1O ZINC000827377357 628954521 /nfs/dbraw/zinc/95/45/21/628954521.db2.gz WOOLTCXEBWLCGW-GOEBONIOSA-N 1 1 305.418 3.182 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](CC3CC(F)(F)C3)CC2)cc1 ZINC000827467897 628961757 /nfs/dbraw/zinc/96/17/57/628961757.db2.gz HHVDNBFVCJNLLS-UHFFFAOYSA-N 1 1 310.388 3.253 20 10 DGCDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)ccc1N1CCCCC1 ZINC000827507012 628965764 /nfs/dbraw/zinc/96/57/64/628965764.db2.gz RBJFPPPUDLILIG-HZPDHXFCSA-N 1 1 315.417 3.427 20 10 DGCDMO CC(C)[C@@H](O)[C@@H]([NH2+]Cc1cccc(F)c1O)c1ccccc1 ZINC000827526503 628968113 /nfs/dbraw/zinc/96/81/13/628968113.db2.gz MKTDYLXUPWSHIM-DLBZAZTESA-N 1 1 303.377 3.379 20 10 DGCDMO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000828013877 629014814 /nfs/dbraw/zinc/01/48/14/629014814.db2.gz NFSVPLRIZBYYDS-UHFFFAOYSA-N 1 1 305.809 3.353 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)ccc1N1CCCCC1 ZINC000828755379 629088062 /nfs/dbraw/zinc/08/80/62/629088062.db2.gz MTLCKXBVQHLDIB-WMZOPIPTSA-N 1 1 302.462 3.188 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1O ZINC000834831542 629786118 /nfs/dbraw/zinc/78/61/18/629786118.db2.gz JUXLDMKATUXMNN-SKDRFNHKSA-N 1 1 311.307 3.403 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccncc2)C1)c1ccc(F)cc1O ZINC000834894731 629800034 /nfs/dbraw/zinc/80/00/34/629800034.db2.gz UHPSUMMCWPZGME-XLWVJDPXSA-N 1 1 316.376 3.497 20 10 DGCDMO C[C@H]([NH2+]CCC1(CO)CC1)c1cccc(C(F)(F)F)c1O ZINC000834896261 629801187 /nfs/dbraw/zinc/80/11/87/629801187.db2.gz JCTAVEWMVZOZIU-JTQLQIEISA-N 1 1 303.324 3.224 20 10 DGCDMO CC[N@H+]1C[C@H](C)N(C/C=C/c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000835025882 629827318 /nfs/dbraw/zinc/82/73/18/629827318.db2.gz MLCWPEIXNLHALQ-FNQZAJIHSA-N 1 1 301.478 3.180 20 10 DGCDMO CCN1CC[C@H]([N@H+](C)C/C=C/c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835026115 629828220 /nfs/dbraw/zinc/82/82/20/629828220.db2.gz QMDXNSFXYFLSPS-TVYZCSMLSA-N 1 1 315.505 3.428 20 10 DGCDMO CCN1CC[C@H]([N@@H+](C)C/C=C/c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835026115 629828221 /nfs/dbraw/zinc/82/82/21/629828221.db2.gz QMDXNSFXYFLSPS-TVYZCSMLSA-N 1 1 315.505 3.428 20 10 DGCDMO CC[N@@H+]1CC[C@H](N(C)C/C=C/c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835026115 629828225 /nfs/dbraw/zinc/82/82/25/629828225.db2.gz QMDXNSFXYFLSPS-TVYZCSMLSA-N 1 1 315.505 3.428 20 10 DGCDMO CC[N@H+]1CC[C@H](N(C)C/C=C/c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835026115 629828227 /nfs/dbraw/zinc/82/82/27/629828227.db2.gz QMDXNSFXYFLSPS-TVYZCSMLSA-N 1 1 315.505 3.428 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000835029834 629829936 /nfs/dbraw/zinc/82/99/36/629829936.db2.gz SXJHTZKMTOTFSC-RMUOZIPVSA-N 1 1 322.452 3.358 20 10 DGCDMO CC(C)c1nnc([C@@H](C)[NH2+]CC=Cc2ccc(N(C)C)cc2)[nH]1 ZINC000835042390 629833152 /nfs/dbraw/zinc/83/31/52/629833152.db2.gz UXFCWJXEJUYTRC-LMVHVUTASA-N 1 1 313.449 3.358 20 10 DGCDMO COC(=O)[C@H](C)C[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835043816 629834116 /nfs/dbraw/zinc/83/41/16/629834116.db2.gz CRCRDRPNWNFZCW-IYKSTZQJSA-N 1 1 316.445 3.039 20 10 DGCDMO CN(C)c1ccc(/C=C/C[NH2+]CCc2ccc3cn[nH]c3c2)cc1 ZINC000835050532 629836645 /nfs/dbraw/zinc/83/66/45/629836645.db2.gz TWCGXZRQJUCBID-ONEGZZNKSA-N 1 1 320.440 3.474 20 10 DGCDMO 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 629837422 /nfs/dbraw/zinc/83/74/22/629837422.db2.gz SVMHQLDIRDEQFM-JDLZTQOXSA-N 1 1 312.457 3.121 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCCN(CC(F)F)CC2)cc1 ZINC000835053383 629837632 /nfs/dbraw/zinc/83/76/32/629837632.db2.gz LVHAELPGRGVAEU-HYXAFXHYSA-N 1 1 323.431 3.039 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000835055968 629840097 /nfs/dbraw/zinc/84/00/97/629840097.db2.gz QNXDWQLBGKPWSF-OOFWQKGWSA-N 1 1 300.446 3.145 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@@H](C3CC3)C3CCC3)cc2)CC1 ZINC000835068917 629843645 /nfs/dbraw/zinc/84/36/45/629843645.db2.gz JDBYHEPLTUIJLP-HXUWFJFHSA-N 1 1 313.489 3.107 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000840893780 630373872 /nfs/dbraw/zinc/37/38/72/630373872.db2.gz LSIXVXPUXLNSJB-RDTXWAMCSA-N 1 1 312.461 3.382 20 10 DGCDMO Cc1cc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)nn1C ZINC000840897034 630374664 /nfs/dbraw/zinc/37/46/64/630374664.db2.gz NVPHPZDRZRMZEZ-UHFFFAOYSA-N 1 1 312.461 3.255 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(Cl)c1 ZINC000840920405 630378803 /nfs/dbraw/zinc/37/88/03/630378803.db2.gz GPUNFPSDPNUNJO-CZUORRHYSA-N 1 1 308.853 3.270 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(Cl)c1 ZINC000840920405 630378804 /nfs/dbraw/zinc/37/88/04/630378804.db2.gz GPUNFPSDPNUNJO-CZUORRHYSA-N 1 1 308.853 3.270 20 10 DGCDMO COc1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1O ZINC000840971131 630388830 /nfs/dbraw/zinc/38/88/30/630388830.db2.gz UFCXXYFIDWRFFX-QGZVFWFLSA-N 1 1 305.418 3.038 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)cc1 ZINC000840975692 630390262 /nfs/dbraw/zinc/39/02/62/630390262.db2.gz KEKKNXHXCHKQPJ-KRWDZBQOSA-N 1 1 317.477 3.022 20 10 DGCDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000840975597 630390401 /nfs/dbraw/zinc/39/04/01/630390401.db2.gz ZJINIKJXUVWSQH-OAHLLOKOSA-N 1 1 322.836 3.023 20 10 DGCDMO Fc1cc(C[N@H+]2CC[C@@H](C3CCC3)C2)ccc1N1CCOCC1 ZINC000840977222 630390554 /nfs/dbraw/zinc/39/05/54/630390554.db2.gz GJRDUYOJBOXZCM-QGZVFWFLSA-N 1 1 318.436 3.284 20 10 DGCDMO CN(C)c1ccc(/C=C\CNC[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000841067727 630404521 /nfs/dbraw/zinc/40/45/21/630404521.db2.gz PHEVXLQWQUPJGF-QEVIJRNUSA-N 1 1 321.468 3.242 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841087478 630406086 /nfs/dbraw/zinc/40/60/86/630406086.db2.gz OGGTZBSZPCRDKU-ABAIWWIYSA-N 1 1 312.816 3.149 20 10 DGCDMO CCN(CC)c1ccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000841089395 630406657 /nfs/dbraw/zinc/40/66/57/630406657.db2.gz MKODREVFMOAZSR-INIZCTEOSA-N 1 1 319.468 3.436 20 10 DGCDMO [NH3+]C[C@@H](NCc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC000841087786 630406969 /nfs/dbraw/zinc/40/69/69/630406969.db2.gz PJQIPVKCFCRURC-LJQANCHMSA-N 1 1 301.478 3.284 20 10 DGCDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(N)cc2)c1 ZINC000841301528 630425375 /nfs/dbraw/zinc/42/53/75/630425375.db2.gz SIMBMFWIVVMRGO-UHFFFAOYSA-N 1 1 312.417 3.042 20 10 DGCDMO COCCOCCCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841748074 630461933 /nfs/dbraw/zinc/46/19/33/630461933.db2.gz VXPPBMKXVSXRSA-GFCCVEGCSA-N 1 1 301.814 3.139 20 10 DGCDMO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc(Cl)cc1O ZINC000841746158 630461955 /nfs/dbraw/zinc/46/19/55/630461955.db2.gz VTFCMXUZBUEGBE-NSHDSACASA-N 1 1 322.836 3.097 20 10 DGCDMO COCC1(C[NH2+][C@H](C)c2ccc(Cl)cc2O)CCOCC1 ZINC000841757841 630462833 /nfs/dbraw/zinc/46/28/33/630462833.db2.gz QHJBCJMCYSHYLH-GFCCVEGCSA-N 1 1 313.825 3.139 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c(O)cc1C ZINC000842615894 630554485 /nfs/dbraw/zinc/55/44/85/630554485.db2.gz BKTWDNBGXPURSU-KRWDZBQOSA-N 1 1 313.397 3.363 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)c1 ZINC000842627312 630554585 /nfs/dbraw/zinc/55/45/85/630554585.db2.gz ZGQWZEZMZUFYGB-FQEVSTJZSA-N 1 1 311.425 3.275 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2CCC(F)CC2)c1 ZINC000842927311 630594446 /nfs/dbraw/zinc/59/44/46/630594446.db2.gz FHXZADAEUMZADR-DCBWTQNWSA-N 1 1 309.381 3.358 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1[O-] ZINC000843354401 630648829 /nfs/dbraw/zinc/64/88/29/630648829.db2.gz DUDUXYOKUIIOAE-HNNXBMFYSA-N 1 1 312.841 3.053 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1[O-] ZINC000843354401 630648831 /nfs/dbraw/zinc/64/88/31/630648831.db2.gz DUDUXYOKUIIOAE-HNNXBMFYSA-N 1 1 312.841 3.053 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)C[C@@H]1C(=O)OC(C)(C)C ZINC000843414536 630653567 /nfs/dbraw/zinc/65/35/67/630653567.db2.gz HXFCHFJBMMHOAT-HIFRSBDPSA-N 1 1 305.418 3.192 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1O ZINC000843419992 630655588 /nfs/dbraw/zinc/65/55/88/630655588.db2.gz XWAFZJRQUHGMLQ-CYBMUJFWSA-N 1 1 318.804 3.439 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cc3n(n2)CCC3)cc1 ZINC000844271254 630714923 /nfs/dbraw/zinc/71/49/23/630714923.db2.gz OVJVTMSFMHCMRW-UHFFFAOYSA-N 1 1 312.461 3.308 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cc3n(n2)CCC3)cc1 ZINC000844271254 630714924 /nfs/dbraw/zinc/71/49/24/630714924.db2.gz OVJVTMSFMHCMRW-UHFFFAOYSA-N 1 1 312.461 3.308 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cccc(Cl)n2)cc1 ZINC000844402402 630724808 /nfs/dbraw/zinc/72/48/08/630724808.db2.gz WVEWMZULFRKMML-UHFFFAOYSA-N 1 1 319.836 3.312 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)CCCc2ccncc2)cc1 ZINC000844401478 630724948 /nfs/dbraw/zinc/72/49/48/630724948.db2.gz OADXVMIYJPPQRN-UHFFFAOYSA-N 1 1 313.445 3.091 20 10 DGCDMO C[C@H](NCc1ccc(C[NH3+])cc1F)c1ccc(N(C)C)cc1 ZINC000844926415 630988087 /nfs/dbraw/zinc/98/80/87/630988087.db2.gz ZUXGVGJQPTYCJD-ZDUSSCGKSA-N 1 1 301.409 3.201 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2[nH]nc3ccccc32)cc1 ZINC000846052135 631208262 /nfs/dbraw/zinc/20/82/62/631208262.db2.gz LEIZKMDARCKIMS-UHFFFAOYSA-N 1 1 324.428 3.140 20 10 DGCDMO COc1ccc(N(C)CC[N@H+](C)Cc2n[nH]c3ccccc32)cc1 ZINC000846052135 631208264 /nfs/dbraw/zinc/20/82/64/631208264.db2.gz LEIZKMDARCKIMS-UHFFFAOYSA-N 1 1 324.428 3.140 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2n[nH]c3ccccc32)cc1 ZINC000846052135 631208266 /nfs/dbraw/zinc/20/82/66/631208266.db2.gz LEIZKMDARCKIMS-UHFFFAOYSA-N 1 1 324.428 3.140 20 10 DGCDMO C[C@H](CO)C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000846058096 631208635 /nfs/dbraw/zinc/20/86/35/631208635.db2.gz LDGHDVOVGYRXJH-SNVBAGLBSA-N 1 1 301.789 3.025 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(C(F)(F)F)c1O ZINC000846190497 631214446 /nfs/dbraw/zinc/21/44/46/631214446.db2.gz QNMJKFAVMQBFBY-RQSQLSILSA-N 1 1 301.308 3.382 20 10 DGCDMO CCc1cccc(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)c1O ZINC000848890558 631774982 /nfs/dbraw/zinc/77/49/82/631774982.db2.gz RTXNZDDHXRFGKU-LBPRGKRZSA-N 1 1 316.367 3.023 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000848907005 631782150 /nfs/dbraw/zinc/78/21/50/631782150.db2.gz GLLITNPLFQMZNB-DZGCQCFKSA-N 1 1 317.351 3.090 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](CC(=O)OC(C)(C)C)C2CCC2)c1 ZINC000848928065 631791966 /nfs/dbraw/zinc/79/19/66/631791966.db2.gz VDARYARBWMMMLU-UHFFFAOYSA-N 1 1 305.418 3.397 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+](CC(=O)OC(C)(C)C)C2CCC2)c1 ZINC000848928065 631791968 /nfs/dbraw/zinc/79/19/68/631791968.db2.gz VDARYARBWMMMLU-UHFFFAOYSA-N 1 1 305.418 3.397 20 10 DGCDMO COc1cccc(C[N@H+]2C[C@@H](C)OC3(CCCCC3)C2)c1O ZINC000848928821 631792494 /nfs/dbraw/zinc/79/24/94/631792494.db2.gz ONJYANCTBXVLNB-CQSZACIVSA-N 1 1 305.418 3.324 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)OC3(CCCCC3)C2)c1 ZINC000848929302 631792641 /nfs/dbraw/zinc/79/26/41/631792641.db2.gz VOAYPKHNWNUSPB-AWEZNQCLSA-N 1 1 305.418 3.324 20 10 DGCDMO [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350544 631901795 /nfs/dbraw/zinc/90/17/95/631901795.db2.gz PUNKVRWSFSMRFX-CQSZACIVSA-N 1 1 308.853 3.257 20 10 DGCDMO [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350544 631901799 /nfs/dbraw/zinc/90/17/99/631901799.db2.gz PUNKVRWSFSMRFX-CQSZACIVSA-N 1 1 308.853 3.257 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2nc(C)c(C)[nH]2)cc1F ZINC000850129817 632061879 /nfs/dbraw/zinc/06/18/79/632061879.db2.gz XXJGBCYCPMRMCP-UHFFFAOYSA-N 1 1 304.413 3.302 20 10 DGCDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)c2ncnn21 ZINC000850352410 632122915 /nfs/dbraw/zinc/12/29/15/632122915.db2.gz VAQXDODHEZLJAM-PBHICJAKSA-N 1 1 311.433 3.064 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]CCc2ccoc2)c1 ZINC000850376942 632130681 /nfs/dbraw/zinc/13/06/81/632130681.db2.gz PBFAYKJZRWDYKF-UHFFFAOYSA-N 1 1 310.191 3.388 20 10 DGCDMO COc1ccnc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1F ZINC000850381139 632134052 /nfs/dbraw/zinc/13/40/52/632134052.db2.gz VBLUWQUZGUQJNZ-SNAWJCMRSA-N 1 1 315.392 3.098 20 10 DGCDMO CC[C@H]([NH2+][C@H](COC)C1CCOCC1)c1ccc(F)cc1O ZINC000850494865 632170928 /nfs/dbraw/zinc/17/09/28/632170928.db2.gz YNDVJKJXDWFPRB-JKSUJKDBSA-N 1 1 311.397 3.014 20 10 DGCDMO COc1cccc(OC)c1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000850505608 632174601 /nfs/dbraw/zinc/17/46/01/632174601.db2.gz TZLQYLGIDSFXJB-NSHDSACASA-N 1 1 305.349 3.399 20 10 DGCDMO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ncccn2)c1O ZINC000850551583 632190137 /nfs/dbraw/zinc/19/01/37/632190137.db2.gz HXQGGGVUQPXREN-SNVBAGLBSA-N 1 1 322.206 3.104 20 10 DGCDMO CNC(=O)CC1(C[NH2+][C@H](C)c2ccc(F)cc2O)CCCCC1 ZINC000850556598 632191865 /nfs/dbraw/zinc/19/18/65/632191865.db2.gz ROMICEKUPDMGOQ-CYBMUJFWSA-N 1 1 322.424 3.269 20 10 DGCDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109772381 632316690 /nfs/dbraw/zinc/31/66/90/632316690.db2.gz ZMUSEVIFGKCLHB-HNNXBMFYSA-N 1 1 312.413 3.044 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](CCO[C@H]2CC2(F)F)C2CC2)cc1 ZINC000851732004 632476865 /nfs/dbraw/zinc/47/68/65/632476865.db2.gz GIXWGZPNZLYUKY-INIZCTEOSA-N 1 1 310.388 3.141 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)c1 ZINC000184798970 660187660 /nfs/dbraw/zinc/18/76/60/660187660.db2.gz DARGVXVBTAHLNT-UHFFFAOYSA-N 1 1 316.367 3.159 20 10 DGCDMO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cc(C)cc(OC)c1O ZINC000184843402 660189982 /nfs/dbraw/zinc/18/99/82/660189982.db2.gz LGFICIZUYKPPBN-UHFFFAOYSA-N 1 1 323.433 3.263 20 10 DGCDMO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(C)cc(OC)c1O ZINC000184843402 660189983 /nfs/dbraw/zinc/18/99/83/660189983.db2.gz LGFICIZUYKPPBN-UHFFFAOYSA-N 1 1 323.433 3.263 20 10 DGCDMO CCOc1ccccc1OCC[N@@H+](C)Cc1ccccc1O ZINC000072629587 660206997 /nfs/dbraw/zinc/20/69/97/660206997.db2.gz PORJIUIEVRUXOR-UHFFFAOYSA-N 1 1 301.386 3.302 20 10 DGCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929976232 661355075 /nfs/dbraw/zinc/35/50/75/661355075.db2.gz MKYPESAXGKCUEG-GXTWGEPZSA-N 1 1 303.324 3.324 20 10 DGCDMO Cc1ncccc1C[NH2+]Cc1cccc(Br)c1O ZINC000705569501 660837625 /nfs/dbraw/zinc/83/76/25/660837625.db2.gz YKZDFQKHMADMAX-UHFFFAOYSA-N 1 1 307.191 3.148 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)[C@@H](C)C1 ZINC000707145877 660888201 /nfs/dbraw/zinc/88/82/01/660888201.db2.gz JXXXQSSRYVBIEZ-QWRGUYRKSA-N 1 1 314.223 3.154 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000708435962 660920983 /nfs/dbraw/zinc/92/09/83/660920983.db2.gz HJLPMZXYLRGHAW-MRXNPFEDSA-N 1 1 318.367 3.035 20 10 DGCDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793091737 661004387 /nfs/dbraw/zinc/00/43/87/661004387.db2.gz DXLMMBMUHZVHEX-HNNXBMFYSA-N 1 1 316.367 3.118 20 10 DGCDMO CCCN(CCC)c1ccc(C[NH2+]Cc2ncnn2CC)cc1 ZINC000793345943 661025759 /nfs/dbraw/zinc/02/57/59/661025759.db2.gz KGLSSRYXHWFQDS-UHFFFAOYSA-N 1 1 315.465 3.214 20 10 DGCDMO COc1cc(O)c(C[N@@H+](CC2CC2)CC2CCC2)cc1OC ZINC000793391424 661029691 /nfs/dbraw/zinc/02/96/91/661029691.db2.gz YGSHMWXQHJFVJT-UHFFFAOYSA-N 1 1 305.418 3.422 20 10 DGCDMO C[NH+](C)Cc1ccc(NC(=O)c2cccc(O)c2O)cc1Cl ZINC000794233261 661073444 /nfs/dbraw/zinc/07/34/44/661073444.db2.gz MDDQZIQXBKWYIA-UHFFFAOYSA-N 1 1 320.776 3.065 20 10 DGCDMO CCC[N@H+](C)C[C@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000160315496 655606012 /nfs/dbraw/zinc/60/60/12/655606012.db2.gz KNCFPCYIZHAARW-MRXNPFEDSA-N 1 1 316.489 3.435 20 10 DGCDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000160315496 655606014 /nfs/dbraw/zinc/60/60/14/655606014.db2.gz KNCFPCYIZHAARW-MRXNPFEDSA-N 1 1 316.489 3.435 20 10 DGCDMO CCOC1CC2(C1)CC[N@@H+](Cc1cc(C)cc(OC)c1O)C2 ZINC000795720081 661169484 /nfs/dbraw/zinc/16/94/84/661169484.db2.gz IPGPYIDAWGQTRU-UHFFFAOYSA-N 1 1 305.418 3.100 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](Oc3ccncc3)C1)CCCC2 ZINC000160404417 655629844 /nfs/dbraw/zinc/62/98/44/655629844.db2.gz CESFYFNDJKFZFR-LJQANCHMSA-N 1 1 324.424 3.319 20 10 DGCDMO COC(C)(C)C[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715798711 661213828 /nfs/dbraw/zinc/21/38/28/661213828.db2.gz XHWODMHZTBEQLG-UHFFFAOYSA-N 1 1 320.202 3.151 20 10 DGCDMO COC(C)(C)C[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715798711 661213830 /nfs/dbraw/zinc/21/38/30/661213830.db2.gz XHWODMHZTBEQLG-UHFFFAOYSA-N 1 1 320.202 3.151 20 10 DGCDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(C(F)F)CC2)c1O ZINC000307882960 656000663 /nfs/dbraw/zinc/00/06/63/656000663.db2.gz UVVPEWFVKSBDRY-UHFFFAOYSA-N 1 1 301.308 3.211 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nc(C3CC3)no2)c1 ZINC000182345788 656104879 /nfs/dbraw/zinc/10/48/79/656104879.db2.gz ORZIKWFKTQTREK-UWVGGRQHSA-N 1 1 303.362 3.073 20 10 DGCDMO COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)C2 ZINC000185334500 656125684 /nfs/dbraw/zinc/12/56/84/656125684.db2.gz DRKXQJFMCSPDFW-RISCZKNCSA-N 1 1 317.360 3.194 20 10 DGCDMO CCC(CC)[N@@H+](CCOC)Cc1cc(F)cc(C(C)=O)c1O ZINC000314594549 656485469 /nfs/dbraw/zinc/48/54/69/656485469.db2.gz HJHAXVWVYWYSIW-UHFFFAOYSA-N 1 1 311.397 3.371 20 10 DGCDMO CCOc1cccc(CNC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1O ZINC000236943228 656995391 /nfs/dbraw/zinc/99/53/91/656995391.db2.gz LTAJYMVNPMWJKJ-BEFAXECRSA-N 1 1 320.477 3.391 20 10 DGCDMO CC(C)[N@@H+](C)C[C@@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000319650223 657121014 /nfs/dbraw/zinc/12/10/14/657121014.db2.gz LCUOSBJYKRTWMF-QGZVFWFLSA-N 1 1 303.494 3.495 20 10 DGCDMO CC(C)[N@H+](C)C[C@@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000319650223 657121020 /nfs/dbraw/zinc/12/10/20/657121020.db2.gz LCUOSBJYKRTWMF-QGZVFWFLSA-N 1 1 303.494 3.495 20 10 DGCDMO C[C@H]1COCC[N@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000054462370 658335534 /nfs/dbraw/zinc/33/55/34/658335534.db2.gz BCCFUNYCZCLSLV-LBPRGKRZSA-N 1 1 301.386 3.238 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000164305407 658929214 /nfs/dbraw/zinc/92/92/14/658929214.db2.gz NAYJBINQCZVUOK-HNNXBMFYSA-N 1 1 320.433 3.108 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000164602002 658938377 /nfs/dbraw/zinc/93/83/77/658938377.db2.gz RHIFCBHKJNVAFK-UKRRQHHQSA-N 1 1 321.461 3.434 20 10 DGCDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000230299894 659324423 /nfs/dbraw/zinc/32/44/23/659324423.db2.gz FPJGXFZKYZGSCC-CQSZACIVSA-N 1 1 314.223 3.156 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](CN(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000172507629 659341313 /nfs/dbraw/zinc/34/13/13/659341313.db2.gz GNVIOZDCFLAKKQ-OAHLLOKOSA-N 1 1 304.478 3.382 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@H](CN(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000172507629 659341317 /nfs/dbraw/zinc/34/13/17/659341317.db2.gz GNVIOZDCFLAKKQ-OAHLLOKOSA-N 1 1 304.478 3.382 20 10 DGCDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)C1 ZINC000173484312 659388918 /nfs/dbraw/zinc/38/89/18/659388918.db2.gz WTDHKUBPKPHWRN-STQMWFEESA-N 1 1 309.431 3.227 20 10 DGCDMO COc1cc(C[N@@H+](C)C[C@H](C)c2nccs2)c(O)cc1C ZINC000182836073 660084391 /nfs/dbraw/zinc/08/43/91/660084391.db2.gz QSWLZGCCJDRLOI-LBPRGKRZSA-N 1 1 306.431 3.401 20 10 DGCDMO Cc1ncsc1C[NH2+]Cc1cccc(Br)c1O ZINC000071213079 660108746 /nfs/dbraw/zinc/10/87/46/660108746.db2.gz GQIOUJRHDYKTOU-UHFFFAOYSA-N 1 1 313.220 3.209 20 10 DGCDMO CCc1nn(C)cc1C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000183444059 660114353 /nfs/dbraw/zinc/11/43/53/660114353.db2.gz WUPUTCXMWQRTEX-UHFFFAOYSA-N 1 1 300.450 3.071 20 10 DGCDMO Cc1cc(C[N@H+]2CCc3nc[nH]c3C23CCC3)ccc1N(C)C ZINC000931680238 661496984 /nfs/dbraw/zinc/49/69/84/661496984.db2.gz RXZUKIJVOCPDGW-UHFFFAOYSA-N 1 1 310.445 3.222 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3C[C@@H](C)OC[C@H]3C)c2c1 ZINC000043751590 661849022 /nfs/dbraw/zinc/84/90/22/661849022.db2.gz BRBIVJKQPFIOQF-CHWSQXEVSA-N 1 1 301.386 3.163 20 10 DGCDMO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CCC)Cc1ccccc1O ZINC000076074406 661966841 /nfs/dbraw/zinc/96/68/41/661966841.db2.gz TVLNVRNFBVTWNR-LSDHHAIUSA-N 1 1 306.450 3.298 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C[C@H](C)O)C2CCCCC2)c1O ZINC000079410985 662109904 /nfs/dbraw/zinc/10/99/04/662109904.db2.gz CKRJBLJFZIEDJY-LBPRGKRZSA-N 1 1 323.408 3.249 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+](C[C@H](C)O)C2CCCCC2)c1O ZINC000079410985 662109907 /nfs/dbraw/zinc/10/99/07/662109907.db2.gz CKRJBLJFZIEDJY-LBPRGKRZSA-N 1 1 323.408 3.249 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000194158368 662158574 /nfs/dbraw/zinc/15/85/74/662158574.db2.gz SQUCAZKLTAWNBG-LJQANCHMSA-N 1 1 314.404 3.465 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000194158368 662158576 /nfs/dbraw/zinc/15/85/76/662158576.db2.gz SQUCAZKLTAWNBG-LJQANCHMSA-N 1 1 314.404 3.465 20 10 DGCDMO Cc1ccc(O)c([C@H](C)[NH2+]Cc2n[nH]cc2Br)c1 ZINC000718126929 662230058 /nfs/dbraw/zinc/23/00/58/662230058.db2.gz RLDNYHCJRJBJME-VIFPVBQESA-N 1 1 310.195 3.037 20 10 DGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC[N@@H+]1C ZINC000090721730 662272962 /nfs/dbraw/zinc/27/29/62/662272962.db2.gz XBZUWVIBGDOXFQ-SKDRFNHKSA-N 1 1 303.233 3.271 20 10 DGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC[N@H+]1C ZINC000090721730 662272964 /nfs/dbraw/zinc/27/29/64/662272964.db2.gz XBZUWVIBGDOXFQ-SKDRFNHKSA-N 1 1 303.233 3.271 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@H]1n1ccnc1 ZINC000246838478 662286026 /nfs/dbraw/zinc/28/60/26/662286026.db2.gz ZRJPDYFRFXXKFM-KBXCAEBGSA-N 1 1 311.429 3.161 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)c1 ZINC000092754480 662335247 /nfs/dbraw/zinc/33/52/47/662335247.db2.gz TZTDANJVVHUJEK-UHFFFAOYSA-N 1 1 320.433 3.001 20 10 DGCDMO COc1ccccc1CC[N@@H+](C)Cc1cccc(OC)c1O ZINC000093105248 662344200 /nfs/dbraw/zinc/34/42/00/662344200.db2.gz YTCGHFMTGVIXEF-UHFFFAOYSA-N 1 1 301.386 3.084 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCc3ccc(F)cc3C2)c1O ZINC000093383757 662353628 /nfs/dbraw/zinc/35/36/28/662353628.db2.gz VAMZDCMZTLUXRK-UHFFFAOYSA-N 1 1 301.361 3.488 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000093612218 662357726 /nfs/dbraw/zinc/35/77/26/662357726.db2.gz OGXWJNNHGKWSOY-OAHLLOKOSA-N 1 1 316.367 3.032 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000093645258 662358200 /nfs/dbraw/zinc/35/82/00/662358200.db2.gz JWBGAPRFTYGPAT-IBGZPJMESA-N 1 1 300.446 3.288 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1F ZINC000093820232 662360504 /nfs/dbraw/zinc/36/05/04/662360504.db2.gz DDMWTPOTXPIJDX-GOSISDBHSA-N 1 1 306.425 3.284 20 10 DGCDMO CO[C@H]([C@@H](C)[NH2+]Cc1cccc(Br)c1O)C1CC1 ZINC000388204394 685188063 /nfs/dbraw/zinc/18/80/63/685188063.db2.gz CPNVWVHNSULXRF-YMTOWFKASA-N 1 1 314.223 3.058 20 10 DGCDMO CN(C)c1ccc(CNCC2(C[NH+](C)C)CCCC2)cc1F ZINC001620895986 1192561235 /nfs/dbraw/zinc/56/12/35/1192561235.db2.gz VXSPWCXTBNJIBE-UHFFFAOYSA-N 1 1 307.457 3.103 20 10 DGCDMO COc1cc(C)cc(CNCCC[N@@H+]2CCCC[C@@H]2C)c1O ZINC001331527701 1178234314 /nfs/dbraw/zinc/23/43/14/1178234314.db2.gz CMJWNOHOJJNLNP-HNNXBMFYSA-N 1 1 306.450 3.063 20 10 DGCDMO COc1cc(C)cc(CNCCC[N@H+]2CCCC[C@@H]2C)c1O ZINC001331527701 1178234323 /nfs/dbraw/zinc/23/43/23/1178234323.db2.gz CMJWNOHOJJNLNP-HNNXBMFYSA-N 1 1 306.450 3.063 20 10 DGCDMO CCN(C)c1ccc(C[NH2+][C@H](C)c2nnc3ccccn32)cc1 ZINC001343897964 1179346801 /nfs/dbraw/zinc/34/68/01/1179346801.db2.gz IAMAFMJIKXGMSQ-CQSZACIVSA-N 1 1 309.417 3.036 20 10 DGCDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(N)cc1 ZINC001345160043 1179535700 /nfs/dbraw/zinc/53/57/00/1179535700.db2.gz QDXQRFYGEOXFST-HNNXBMFYSA-N 1 1 312.413 3.080 20 10 DGCDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001347236158 1179785591 /nfs/dbraw/zinc/78/55/91/1179785591.db2.gz WNBMRQJNGFUVKJ-NVXWUHKLSA-N 1 1 319.468 3.340 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC001347393940 1179802085 /nfs/dbraw/zinc/80/20/85/1179802085.db2.gz FLARZOBTWLPVQE-DYVFJYSZSA-N 1 1 319.445 3.309 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c(O)c1OC ZINC001351948535 1180266471 /nfs/dbraw/zinc/26/64/71/1180266471.db2.gz MWYCGVVEMFCRQO-ZIAGYGMSSA-N 1 1 305.418 3.422 20 10 DGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CNCCC1(F)F ZINC001354234666 1180753688 /nfs/dbraw/zinc/75/36/88/1180753688.db2.gz ILRKIEAZHGJUQP-UPJWGTAASA-N 1 1 310.388 3.083 20 10 DGCDMO CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001354540337 1180833237 /nfs/dbraw/zinc/83/32/37/1180833237.db2.gz CERRPDZUFKLFTR-GOSISDBHSA-N 1 1 317.477 3.022 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c(O)c1 ZINC001474595863 1181593936 /nfs/dbraw/zinc/59/39/36/1181593936.db2.gz PVYRZNNXNRURBT-CQSZACIVSA-N 1 1 305.418 3.100 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCO[C@](C)(C3CC3)C2)cc1 ZINC001474626059 1181595327 /nfs/dbraw/zinc/59/53/27/1181595327.db2.gz RYFCNWOIRKCHEI-HMECNJMJSA-N 1 1 300.446 3.267 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)cc1 ZINC001460276853 1182671490 /nfs/dbraw/zinc/67/14/90/1182671490.db2.gz FJWYSIGLDVNGBR-FQEVSTJZSA-N 1 1 312.457 3.482 20 10 DGCDMO Cc1cc(O)c(C[NH2+]Cc2cn3ccsc3n2)c(Cl)c1 ZINC001461116874 1182770648 /nfs/dbraw/zinc/77/06/48/1182770648.db2.gz QTQIRWTZGUSXRW-UHFFFAOYSA-N 1 1 307.806 3.353 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](C)[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC001605875563 1193181432 /nfs/dbraw/zinc/18/14/32/1193181432.db2.gz JIWKHEPMXGGZRI-CYBMUJFWSA-N 1 1 323.400 3.074 20 10 DGCDMO Cc1ccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c(O)c1 ZINC001461872666 1182866903 /nfs/dbraw/zinc/86/69/03/1182866903.db2.gz WZKOJGLLRPIWKQ-FQEVSTJZSA-N 1 1 309.409 3.375 20 10 DGCDMO COc1cc(C)c(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)c(O)c1 ZINC001462183318 1182918909 /nfs/dbraw/zinc/91/89/09/1182918909.db2.gz HVZGCXZYXUWKIP-NSHDSACASA-N 1 1 319.405 3.241 20 10 DGCDMO OCC[C@H]([NH2+]Cc1cc(F)c(F)cc1O)c1ccccc1F ZINC001462368143 1182943884 /nfs/dbraw/zinc/94/38/84/1182943884.db2.gz GVIAJNINQUWOQP-HNNXBMFYSA-N 1 1 311.303 3.023 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)ccc1N(C)C ZINC001473737492 1183795612 /nfs/dbraw/zinc/79/56/12/1183795612.db2.gz KRYFRZGGVIJHGU-QRQLOZEOSA-N 1 1 302.462 3.186 20 10 DGCDMO COC(=O)c1ccc(CNc2ccc3c(c2)[nH+]cn3C)cc1C ZINC001474050603 1183857071 /nfs/dbraw/zinc/85/70/71/1183857071.db2.gz NACZVKMXZIQERM-UHFFFAOYSA-N 1 1 309.369 3.280 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)c1ccc[nH]1 ZINC001474099339 1183867441 /nfs/dbraw/zinc/86/74/41/1183867441.db2.gz MGYPFKIRYDOQKA-QMMMGPOBSA-N 1 1 313.170 3.473 20 10 DGCDMO Cc1nc2ccccn2c1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001474292777 1183898457 /nfs/dbraw/zinc/89/84/57/1183898457.db2.gz GFIIDSOWPXJLAL-UHFFFAOYSA-N 1 1 319.767 3.431 20 10 DGCDMO Cc1ccc(C[N@H+](CC(=O)N2CCCCCC2)C(C)C)c(O)c1 ZINC001474513917 1183933809 /nfs/dbraw/zinc/93/38/09/1183933809.db2.gz XFRKLGZWTOYOCQ-UHFFFAOYSA-N 1 1 318.461 3.314 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c(O)c1 ZINC001474582369 1183944887 /nfs/dbraw/zinc/94/48/87/1183944887.db2.gz IOJAPAIWXQXMER-GOSISDBHSA-N 1 1 319.445 3.346 20 10 DGCDMO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC001474683691 1183961899 /nfs/dbraw/zinc/96/18/99/1183961899.db2.gz PWEWSPAMYWYJGR-OAHLLOKOSA-N 1 1 316.367 3.214 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC001474716773 1183968226 /nfs/dbraw/zinc/96/82/26/1183968226.db2.gz SMCPNGXXEOMKKN-GFCCVEGCSA-N 1 1 316.367 3.382 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)c1ccc2c(c1)CCO2 ZINC001474726340 1183968899 /nfs/dbraw/zinc/96/88/99/1183968899.db2.gz LATGHEGXPWNFEC-SNVBAGLBSA-N 1 1 305.324 3.456 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)cc1 ZINC001560135235 1189282363 /nfs/dbraw/zinc/28/23/63/1189282363.db2.gz HMNRIIYRBOOABS-PZJWPPBQSA-N 1 1 322.452 3.153 20 10 DGCDMO CCN(C)c1ccc(C[N@H+](C)Cc2cc(OC)ns2)cc1 ZINC001560174231 1189287328 /nfs/dbraw/zinc/28/73/28/1189287328.db2.gz XQJMUOCKMHETBY-UHFFFAOYSA-N 1 1 305.447 3.240 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)Cc2cc(OC)ns2)cc1 ZINC001560174231 1189287332 /nfs/dbraw/zinc/28/73/32/1189287332.db2.gz XQJMUOCKMHETBY-UHFFFAOYSA-N 1 1 305.447 3.240 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1F ZINC001560271560 1189303225 /nfs/dbraw/zinc/30/32/25/1189303225.db2.gz PKEYFUQBOMKIAV-IEBWSBKVSA-N 1 1 319.468 3.388 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1F ZINC001560271560 1189303228 /nfs/dbraw/zinc/30/32/28/1189303228.db2.gz PKEYFUQBOMKIAV-IEBWSBKVSA-N 1 1 319.468 3.388 20 10 DGCDMO CCOCc1cc(CN[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1OC ZINC001560358633 1189317933 /nfs/dbraw/zinc/31/79/33/1189317933.db2.gz QWGAGNAZUNBMCN-ROUUACIJSA-N 1 1 320.477 3.194 20 10 DGCDMO Cc1ccc(C[N@H+](C)Cc2cc(Br)cn2C)c(O)c1 ZINC001560670306 1189357957 /nfs/dbraw/zinc/35/79/57/1189357957.db2.gz AMADIQZIYVGVAT-UHFFFAOYSA-N 1 1 323.234 3.434 20 10 DGCDMO C[C@@H]([NH2+]Cc1cccc(F)c1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001560749249 1189374651 /nfs/dbraw/zinc/37/46/51/1189374651.db2.gz DHFXHZRXYPNANJ-UKRRQHHQSA-N 1 1 306.425 3.274 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC001560768268 1189376606 /nfs/dbraw/zinc/37/66/06/1189376606.db2.gz VDTNKAQIBUUBJJ-CQSZACIVSA-N 1 1 309.287 3.423 20 10 DGCDMO Cn1c(Cl)ncc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001560815341 1189386530 /nfs/dbraw/zinc/38/65/30/1189386530.db2.gz ATQHQDBJHGNPJY-UHFFFAOYSA-N 1 1 318.852 3.306 20 10 DGCDMO Cn1c(Cl)ncc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001560815341 1189386536 /nfs/dbraw/zinc/38/65/36/1189386536.db2.gz ATQHQDBJHGNPJY-UHFFFAOYSA-N 1 1 318.852 3.306 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)c(F)cc2O)c1 ZINC001560815241 1189386580 /nfs/dbraw/zinc/38/65/80/1189386580.db2.gz UYACHNFBBFFYKP-SECBINFHSA-N 1 1 309.312 3.235 20 10 DGCDMO COc1c(O)c(C[N@H+](C)C[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001560999484 1189418248 /nfs/dbraw/zinc/41/82/48/1189418248.db2.gz WLEFMPMNUVADJO-NSHDSACASA-N 1 1 310.394 3.423 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)C[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001560999484 1189418251 /nfs/dbraw/zinc/41/82/51/1189418251.db2.gz WLEFMPMNUVADJO-NSHDSACASA-N 1 1 310.394 3.423 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H](c3cn[nH]n3)C2)c1 ZINC001575455603 1191483660 /nfs/dbraw/zinc/48/36/60/1191483660.db2.gz ZOJGIJAQHDOXOD-AWEZNQCLSA-N 1 1 300.406 3.013 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](c3c[nH]nn3)C2)c1 ZINC001575455603 1191483663 /nfs/dbraw/zinc/48/36/63/1191483663.db2.gz ZOJGIJAQHDOXOD-AWEZNQCLSA-N 1 1 300.406 3.013 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H](c3c[nH]nn3)C2)c1 ZINC001575455603 1191483666 /nfs/dbraw/zinc/48/36/66/1191483666.db2.gz ZOJGIJAQHDOXOD-AWEZNQCLSA-N 1 1 300.406 3.013 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](c3cnn[nH]3)C2)c1 ZINC001575455603 1191483669 /nfs/dbraw/zinc/48/36/69/1191483669.db2.gz ZOJGIJAQHDOXOD-AWEZNQCLSA-N 1 1 300.406 3.013 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H](c3cnn[nH]3)C2)c1 ZINC001575455603 1191483674 /nfs/dbraw/zinc/48/36/74/1191483674.db2.gz ZOJGIJAQHDOXOD-AWEZNQCLSA-N 1 1 300.406 3.013 20 10 DGCDMO CC1(C)[C@H](NCc2ccc(N3CCCC3)cc2)[C@@H]2CCC[NH2+][C@H]21 ZINC001576389925 1191579864 /nfs/dbraw/zinc/57/98/64/1191579864.db2.gz NIZYANAQFZRDRI-GUDVDZBRSA-N 1 1 313.489 3.153 20 10 DGCDMO CC1(C)[C@H](NCc2ccc(N3CCCC3)cc2)[C@H]2CCC[NH2+][C@H]21 ZINC001576389932 1191580244 /nfs/dbraw/zinc/58/02/44/1191580244.db2.gz NIZYANAQFZRDRI-IPMKNSEASA-N 1 1 313.489 3.153 20 10 DGCDMO CC(C)[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N1CCCC1 ZINC001620713149 1193793899 /nfs/dbraw/zinc/79/38/99/1193793899.db2.gz VEDHOJZVUCPMSI-GOSISDBHSA-N 1 1 307.457 3.102 20 10 DGCDMO CCOCc1cc(CNCC[NH+]2CCCCCC2)ccc1OC ZINC001620717381 1193794643 /nfs/dbraw/zinc/79/46/43/1193794643.db2.gz DALLQTVXTVGPAH-UHFFFAOYSA-N 1 1 320.477 3.197 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CC[C@@H](C)[C@@H]2C)c2cc(F)ccc2n1C ZINC001621136599 1193806842 /nfs/dbraw/zinc/80/68/42/1193806842.db2.gz VXYDQCVYGQTPKA-NEPJUHHUSA-N 1 1 318.392 3.334 20 10 DGCDMO COc1cc(C)cc(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)c1O ZINC001621149006 1193807906 /nfs/dbraw/zinc/80/79/06/1193807906.db2.gz ZVEBRIIKNTYUFI-UHFFFAOYSA-N 1 1 323.433 3.261 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)c1O ZINC001621149006 1193807909 /nfs/dbraw/zinc/80/79/09/1193807909.db2.gz ZVEBRIIKNTYUFI-UHFFFAOYSA-N 1 1 323.433 3.261 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1 ZINC001621280903 1193826572 /nfs/dbraw/zinc/82/65/72/1193826572.db2.gz MMJMAURIDANACI-LJQANCHMSA-N 1 1 319.445 3.286 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)cc1Cl ZINC001621363146 1193832945 /nfs/dbraw/zinc/83/29/45/1193832945.db2.gz BILNGPMFEWXXJB-INIZCTEOSA-N 1 1 319.832 3.389 20 10 DGCDMO C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001621458093 1193845104 /nfs/dbraw/zinc/84/51/04/1193845104.db2.gz WXKDPIWBAGMBSJ-WFASDCNBSA-N 1 1 312.404 3.223 20 10 DGCDMO CCCCOC(=O)[C@H](C)[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001641554057 1194859999 /nfs/dbraw/zinc/85/99/99/1194859999.db2.gz BTPYIZCAJZTYAL-HNNXBMFYSA-N 1 1 318.461 3.449 20 10 DGCDMO CCCCOC(=O)[C@H](C)[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001641554057 1194860002 /nfs/dbraw/zinc/86/00/02/1194860002.db2.gz BTPYIZCAJZTYAL-HNNXBMFYSA-N 1 1 318.461 3.449 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001641902226 1194877719 /nfs/dbraw/zinc/87/77/19/1194877719.db2.gz KJIDDQHRPPSZIJ-HKUYNNGSSA-N 1 1 319.445 3.332 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)ccc1N1CCCCC1 ZINC001642906455 1194952769 /nfs/dbraw/zinc/95/27/69/1194952769.db2.gz RZCBDUPYIXPZBC-WMZOPIPTSA-N 1 1 302.462 3.188 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)ccc1N(C)C ZINC001648006763 1195270856 /nfs/dbraw/zinc/27/08/56/1195270856.db2.gz QQPUDLRVMRLKJZ-JQHSSLGASA-N 1 1 302.462 3.042 20 10 DGCDMO Cc1cn(C)nc1C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC001651417834 1195458418 /nfs/dbraw/zinc/45/84/18/1195458418.db2.gz NWHIEOHYTPMSGC-UHFFFAOYSA-N 1 1 308.429 3.426 20 10 DGCDMO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001651443284 1195462949 /nfs/dbraw/zinc/46/29/49/1195462949.db2.gz YCTCUJYUFZNPEN-HNNXBMFYSA-N 1 1 320.795 3.461 20 10 DGCDMO Cc1cc(N(C)C)ccc1CNCC[C@H](C)[NH+]1CCCCC1 ZINC001652181230 1195558674 /nfs/dbraw/zinc/55/86/74/1195558674.db2.gz GSFNYALUCNNLST-KRWDZBQOSA-N 1 1 303.494 3.415 20 10 DGCDMO Cc1cc(N(C)C)ccc1CN1CC([N@@H+](C)Cc2ccccc2)C1 ZINC001652623449 1195627356 /nfs/dbraw/zinc/62/73/56/1195627356.db2.gz QVXZDYHOOWHBAD-UHFFFAOYSA-N 1 1 323.484 3.377 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH+]1CC(N(C)Cc2ccccc2)C1 ZINC001652623449 1195627361 /nfs/dbraw/zinc/62/73/61/1195627361.db2.gz QVXZDYHOOWHBAD-UHFFFAOYSA-N 1 1 323.484 3.377 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCSC[C@H]2C2CCC2)c1O ZINC001652696443 1195637500 /nfs/dbraw/zinc/63/75/00/1195637500.db2.gz WLFKXKHWRYWWDR-HNNXBMFYSA-N 1 1 307.459 3.427 20 10 DGCDMO CCn1cc(C[N@H+](Cc2cc(F)c(F)cc2O)C(C)C)cn1 ZINC001652761772 1195649747 /nfs/dbraw/zinc/64/97/47/1195649747.db2.gz KKPPCHQBROGCFV-UHFFFAOYSA-N 1 1 309.360 3.297 20 10 DGCDMO CCn1cc(C[N@@H+](Cc2cc(F)c(F)cc2O)C(C)C)cn1 ZINC001652761772 1195649750 /nfs/dbraw/zinc/64/97/50/1195649750.db2.gz KKPPCHQBROGCFV-UHFFFAOYSA-N 1 1 309.360 3.297 20 10 DGCDMO CCc1cccc(C[N@@H+](CC)CCNC(=O)OC(C)(C)C)c1O ZINC001652831222 1195657766 /nfs/dbraw/zinc/65/77/66/1195657766.db2.gz FGABKHVYPXWBKP-UHFFFAOYSA-N 1 1 322.449 3.301 20 10 DGCDMO C[C@H](CNC/C=C\c1ccc(N(C)C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001655283039 1195899535 /nfs/dbraw/zinc/89/95/35/1195899535.db2.gz WYJJPMSUIYFKII-IJKBJJPYSA-N 1 1 315.505 3.476 20 10 DGCDMO C[C@H](CNC/C=C\c1ccc(N(C)C)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001655283039 1195899538 /nfs/dbraw/zinc/89/95/38/1195899538.db2.gz WYJJPMSUIYFKII-IJKBJJPYSA-N 1 1 315.505 3.476 20 10 DGCDMO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1nc(-c2cccnc2)no1 ZINC001655349802 1195906767 /nfs/dbraw/zinc/90/67/67/1195906767.db2.gz TUGPMXJSURWFLU-VXGBXAGGSA-N 1 1 310.357 3.249 20 10 DGCDMO C[C@@H](CNCc1ccc(N2CCCC2)cc1)[NH+]1CCC(C)CC1 ZINC001655454656 1195920100 /nfs/dbraw/zinc/92/01/00/1195920100.db2.gz PIIFMLNKWOVJFG-SFHVURJKSA-N 1 1 315.505 3.497 20 10 DGCDMO Cc1cn(C)nc1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC001656385319 1196034994 /nfs/dbraw/zinc/03/49/94/1196034994.db2.gz LQKLWDGSEKNGPL-UHFFFAOYSA-N 1 1 312.461 3.255 20 10 DGCDMO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001656636290 1196056357 /nfs/dbraw/zinc/05/63/57/1196056357.db2.gz QVFXCOZYLSTFOO-VQIMIIECSA-N 1 1 301.478 3.107 20 10 DGCDMO C[C@H](C[NH+]1CCC(C)CC1)NC/C=C/c1ccc(N(C)C)cc1 ZINC001657669153 1196167307 /nfs/dbraw/zinc/16/73/07/1196167307.db2.gz MYNPXVXAWMNVJR-DUMMIQTOSA-N 1 1 315.505 3.476 20 10 DGCDMO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(N(CC)CC)c(F)c2)[nH]1 ZINC001657710100 1196171422 /nfs/dbraw/zinc/17/14/22/1196171422.db2.gz JAVXOUBLZUBEFY-GFCCVEGCSA-N 1 1 319.428 3.203 20 10 DGCDMO CCc1cccc(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)c1O ZINC001657731065 1196173098 /nfs/dbraw/zinc/17/30/98/1196173098.db2.gz SVSBHALYUQPZNH-UHFFFAOYSA-N 1 1 322.449 3.253 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC001657898231 1196191209 /nfs/dbraw/zinc/19/12/09/1196191209.db2.gz ZZKLFBNEHAHOAZ-CYBMUJFWSA-N 1 1 305.324 3.154 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC001657921107 1196193685 /nfs/dbraw/zinc/19/36/85/1196193685.db2.gz PDBDKSHZDRKEGH-BEFAXECRSA-N 1 1 319.445 3.286 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC001658572556 1196274705 /nfs/dbraw/zinc/27/47/05/1196274705.db2.gz YXAGDIHVGCDMIZ-KRWDZBQOSA-N 1 1 311.372 3.452 20 10 DGCDMO Oc1cccc2c1C[N@H+](Cc1ccc3c(c1)OC(F)(F)O3)C2 ZINC001658768142 1196298337 /nfs/dbraw/zinc/29/83/37/1196298337.db2.gz AXOYFHZBQIVNEN-UHFFFAOYSA-N 1 1 305.280 3.230 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1ccc3c(c1)OC(F)(F)O3)C2 ZINC001658768142 1196298342 /nfs/dbraw/zinc/29/83/42/1196298342.db2.gz AXOYFHZBQIVNEN-UHFFFAOYSA-N 1 1 305.280 3.230 20 10 DGCDMO CCOC(=O)C[N@H+](CCC1CCCC1)Cc1ccccc1O ZINC001659100306 1196344562 /nfs/dbraw/zinc/34/45/62/1196344562.db2.gz DEKGAZRBNYTRMX-UHFFFAOYSA-N 1 1 305.418 3.338 20 10 DGCDMO CCOC(=O)C[N@@H+](CCC1CCCC1)Cc1ccccc1O ZINC001659100306 1196344566 /nfs/dbraw/zinc/34/45/66/1196344566.db2.gz DEKGAZRBNYTRMX-UHFFFAOYSA-N 1 1 305.418 3.338 20 10 DGCDMO COc1cc(C[N@H+]2CCCCC[C@@H]2CO)c(O)c(C(C)(C)C)c1 ZINC001659568977 1196396453 /nfs/dbraw/zinc/39/64/53/1196396453.db2.gz PNLOXHFJQAPFHE-OAHLLOKOSA-N 1 1 321.461 3.435 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)[C@](C)(O)c1ccccc1 ZINC001659577632 1196397118 /nfs/dbraw/zinc/39/71/18/1196397118.db2.gz HFPHYUFGKFUVCI-DIFFPNOSSA-N 1 1 307.340 3.056 20 10 DGCDMO Cc1cc(N(C)C)ccc1CN[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001659653358 1196403067 /nfs/dbraw/zinc/40/30/67/1196403067.db2.gz ZLQMAODYEMEEQW-KRWDZBQOSA-N 1 1 303.494 3.271 20 10 DGCDMO CO[C@](C)(C[NH2+]Cc1cc(F)c(F)cc1O)c1ccccc1 ZINC001659827014 1196418644 /nfs/dbraw/zinc/41/86/44/1196418644.db2.gz OBFVEZROLLCIHL-QGZVFWFLSA-N 1 1 307.340 3.322 20 10 DGCDMO C[N@@H+](Cc1cc(F)cc(F)c1O)C[C@H]1OCCc2ccccc21 ZINC001659831374 1196419537 /nfs/dbraw/zinc/41/95/37/1196419537.db2.gz ZRGXQAGSGHHJOW-QGZVFWFLSA-N 1 1 319.351 3.416 20 10 DGCDMO C[N@H+](Cc1cc(F)cc(F)c1O)C[C@H]1OCCc2ccccc21 ZINC001659831374 1196419541 /nfs/dbraw/zinc/41/95/41/1196419541.db2.gz ZRGXQAGSGHHJOW-QGZVFWFLSA-N 1 1 319.351 3.416 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1F ZINC001659867803 1196423878 /nfs/dbraw/zinc/42/38/78/1196423878.db2.gz HENNMFWPGGWVMW-OAHLLOKOSA-N 1 1 324.415 3.279 20 10 DGCDMO Oc1cccc(F)c1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC001660046900 1196439958 /nfs/dbraw/zinc/43/99/58/1196439958.db2.gz AZJBYWFQORFDAJ-MRXNPFEDSA-N 1 1 314.404 3.286 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC001660090976 1196443876 /nfs/dbraw/zinc/44/38/76/1196443876.db2.gz WDXVNHVUFMLBGT-KRWDZBQOSA-N 1 1 323.383 3.452 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC001660090976 1196443879 /nfs/dbraw/zinc/44/38/79/1196443879.db2.gz WDXVNHVUFMLBGT-KRWDZBQOSA-N 1 1 323.383 3.452 20 10 DGCDMO CCOC(OCC)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001660274749 1196465101 /nfs/dbraw/zinc/46/51/01/1196465101.db2.gz DABWZNFFMQEOJX-SECBINFHSA-N 1 1 305.777 3.062 20 10 DGCDMO CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001661351177 1196596950 /nfs/dbraw/zinc/59/69/50/1196596950.db2.gz MSRRZMNSRJXQLR-GFCCVEGCSA-N 1 1 314.832 3.395 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CCCC4(CC4)C3)cc2)CC1 ZINC001663353574 1196843139 /nfs/dbraw/zinc/84/31/39/1196843139.db2.gz LVMUXZKHEOKTDL-SFHVURJKSA-N 1 1 313.489 3.251 20 10 DGCDMO CCOC(=O)C[N@H+](Cc1ccc(N(C)C)cc1C)CC(C)C ZINC001663549597 1196901571 /nfs/dbraw/zinc/90/15/71/1196901571.db2.gz GAHABRXKVYXEQM-UHFFFAOYSA-N 1 1 306.450 3.082 20 10 DGCDMO CC(C)c1ccc(O)c(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC001663554647 1196903593 /nfs/dbraw/zinc/90/35/93/1196903593.db2.gz JKUKLHBZAAHYOO-MRXNPFEDSA-N 1 1 302.462 3.433 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC001663662271 1196924323 /nfs/dbraw/zinc/92/43/23/1196924323.db2.gz JMSCWYLJYPLKSW-UHFFFAOYSA-N 1 1 318.367 3.383 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC001663662271 1196924325 /nfs/dbraw/zinc/92/43/25/1196924325.db2.gz JMSCWYLJYPLKSW-UHFFFAOYSA-N 1 1 318.367 3.383 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c(O)c1 ZINC001664820996 1197063124 /nfs/dbraw/zinc/06/31/24/1197063124.db2.gz FWCYWRBSOYESTF-SFHVURJKSA-N 1 1 317.429 3.100 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cc(F)ccc2O)cc1 ZINC001665164621 1197103947 /nfs/dbraw/zinc/10/39/47/1197103947.db2.gz UHGMSEMOBJFTSN-UHFFFAOYSA-N 1 1 318.392 3.108 20 10 DGCDMO COc1ccc(F)cc1CC[NH2+]Cc1cc(F)c(F)cc1O ZINC001665655983 1197165657 /nfs/dbraw/zinc/16/56/57/1197165657.db2.gz DPHRFHTUOWBRBI-UHFFFAOYSA-N 1 1 311.303 3.150 20 10 DGCDMO CC(C)CNC(=O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC001322120676 1107524854 /nfs/dbraw/zinc/52/48/54/1107524854.db2.gz NIYYAYOKNFSYFD-SECBINFHSA-N 1 1 319.232 3.122 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC001140178350 1081936383 /nfs/dbraw/zinc/93/63/83/1081936383.db2.gz JDGLEGUJSDXFDR-OAHLLOKOSA-N 1 1 317.351 3.288 20 10 DGCDMO CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC001140338098 1082143013 /nfs/dbraw/zinc/14/30/13/1082143013.db2.gz VCFZHAPFKWBGQP-LBPRGKRZSA-N 1 1 311.809 3.211 20 10 DGCDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001170272611 1082332337 /nfs/dbraw/zinc/33/23/37/1082332337.db2.gz JYISGVYZFIOXEY-OAHLLOKOSA-N 1 1 324.852 3.164 20 10 DGCDMO C[C@H](C[NH+]1CCCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000378924161 1083221368 /nfs/dbraw/zinc/22/13/68/1083221368.db2.gz RHNQLUCLWMHECD-QGZVFWFLSA-N 1 1 301.478 3.251 20 10 DGCDMO C[N@@H+](Cc1cnc2n1CCC2)Cc1ccc(N2CCCC2)cc1 ZINC001181554447 1083490722 /nfs/dbraw/zinc/49/07/22/1083490722.db2.gz DLYRBKKSNHDTBD-UHFFFAOYSA-N 1 1 310.445 3.062 20 10 DGCDMO O=c1[nH]c2cc(F)ccc2cc1C[N@H+]1Cc2cccc(O)c2C1 ZINC001183453257 1083951559 /nfs/dbraw/zinc/95/15/59/1083951559.db2.gz BQNLDLWXGVYBNK-UHFFFAOYSA-N 1 1 310.328 3.301 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)c(O)c1 ZINC001183673277 1083995252 /nfs/dbraw/zinc/99/52/52/1083995252.db2.gz PQZWUNGZTQKRSR-CYBMUJFWSA-N 1 1 318.442 3.464 20 10 DGCDMO Oc1cccc(F)c1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC001183918678 1084066827 /nfs/dbraw/zinc/06/68/27/1084066827.db2.gz BMNPYEQTNMGJQC-UHFFFAOYSA-N 1 1 303.362 3.273 20 10 DGCDMO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2c(O)cccc2F)C1 ZINC001183919737 1084067393 /nfs/dbraw/zinc/06/73/93/1084067393.db2.gz OMEOUCNZVJYCRB-GFCCVEGCSA-N 1 1 324.396 3.020 20 10 DGCDMO C[N@@H+](CCOC(C)(C)C)Cc1cc(Br)ccc1O ZINC000690113992 1087356659 /nfs/dbraw/zinc/35/66/59/1087356659.db2.gz HKBFYUXXQYVXHY-UHFFFAOYSA-N 1 1 316.239 3.402 20 10 DGCDMO Nc1ccc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)nc1 ZINC001155629281 1089193167 /nfs/dbraw/zinc/19/31/67/1089193167.db2.gz GTYKMSMXOIUPGS-IXIUHKBRSA-N 1 1 324.472 3.063 20 10 DGCDMO C[N@H+](Cc1c(O)ccc(Cl)c1Cl)[C@H]1CC[C@H](O)CC1 ZINC001237077489 1090283409 /nfs/dbraw/zinc/28/34/09/1090283409.db2.gz IJQOSAIJFSEOBJ-MGCOHNPYSA-N 1 1 304.217 3.434 20 10 DGCDMO C[N@@H+](Cc1c(O)ccc(Cl)c1Cl)[C@H]1CC[C@H](O)CC1 ZINC001237077489 1090283412 /nfs/dbraw/zinc/28/34/12/1090283412.db2.gz IJQOSAIJFSEOBJ-MGCOHNPYSA-N 1 1 304.217 3.434 20 10 DGCDMO Nc1[nH+]cccc1Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001212398410 1090621033 /nfs/dbraw/zinc/62/10/33/1090621033.db2.gz SCTWBGXQRZZRAW-UHFFFAOYSA-N 1 1 315.332 3.183 20 10 DGCDMO CCc1nc(C)c(C[N@H+](CC)Cc2ccc(N(C)C)cc2)[nH]1 ZINC001203248154 1090708130 /nfs/dbraw/zinc/70/81/30/1090708130.db2.gz PKBDWHPAECEGMR-UHFFFAOYSA-N 1 1 300.450 3.369 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cccc(OC)c1OC ZINC001203453545 1090737603 /nfs/dbraw/zinc/73/76/03/1090737603.db2.gz ZLCNRNBARDAYMJ-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)C[C@H]1NC(=O)OC(C)(C)C ZINC001203549937 1090752779 /nfs/dbraw/zinc/75/27/79/1090752779.db2.gz DGMCZLRRASGDJP-UKRRQHHQSA-N 1 1 320.433 3.127 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c1O ZINC001203617605 1090767623 /nfs/dbraw/zinc/76/76/23/1090767623.db2.gz RMFKHIFIWQAYSU-MRXNPFEDSA-N 1 1 313.397 3.226 20 10 DGCDMO COC(=O)CC[N@@H+](Cc1cc(Cl)ccc1O)C1CCCC1 ZINC001203657152 1090774170 /nfs/dbraw/zinc/77/41/70/1090774170.db2.gz GRGXJSRGYVBKLH-UHFFFAOYSA-N 1 1 311.809 3.353 20 10 DGCDMO O=C(c1ccccc1)C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203873544 1090825431 /nfs/dbraw/zinc/82/54/31/1090825431.db2.gz FBXGTIRAHAFGKT-UHFFFAOYSA-N 1 1 311.381 3.193 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](Oc3cccnc3)C2)cc1 ZINC001203933949 1090843299 /nfs/dbraw/zinc/84/32/99/1090843299.db2.gz IFGKNKBOXWPOLU-LJQANCHMSA-N 1 1 311.429 3.191 20 10 DGCDMO CCN(CC)c1ccc(CN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001203935289 1090843371 /nfs/dbraw/zinc/84/33/71/1090843371.db2.gz BQFSBMNKUZXGGH-UHFFFAOYSA-N 1 1 324.472 3.250 20 10 DGCDMO COC(=O)c1cccc2c1C[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203936258 1090843550 /nfs/dbraw/zinc/84/35/50/1090843550.db2.gz FTJMAXAVMBBNRZ-UHFFFAOYSA-N 1 1 324.424 3.098 20 10 DGCDMO COC(=O)c1cccc2c1C[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203936258 1090843555 /nfs/dbraw/zinc/84/35/55/1090843555.db2.gz FTJMAXAVMBBNRZ-UHFFFAOYSA-N 1 1 324.424 3.098 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](CC(=O)OC)C2CCCC2)cc1 ZINC001203942399 1090845036 /nfs/dbraw/zinc/84/50/36/1090845036.db2.gz PASQZGZPYJGIMQ-UHFFFAOYSA-N 1 1 318.461 3.450 20 10 DGCDMO COc1cc(CC[NH2+]Cc2cc(F)cc(F)c2O)cc(OC)c1 ZINC001204096349 1090900993 /nfs/dbraw/zinc/90/09/93/1090900993.db2.gz GSSXMBUQUCRPIC-UHFFFAOYSA-N 1 1 323.339 3.020 20 10 DGCDMO Oc1ccc(C[N@@H+](Cc2ccccc2)C2CCOCC2)c(O)c1 ZINC001204278819 1090938849 /nfs/dbraw/zinc/93/88/49/1090938849.db2.gz KIERMBLOUBCKIF-UHFFFAOYSA-N 1 1 313.397 3.279 20 10 DGCDMO CC[N@@H+](C)C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329591 1090950878 /nfs/dbraw/zinc/95/08/78/1090950878.db2.gz REARUYFCLROFDE-UHFFFAOYSA-N 1 1 301.478 3.203 20 10 DGCDMO COc1cc(Br)cc(C[N@H+]2CCC3(CC3)C2)c1O ZINC001204337707 1090951534 /nfs/dbraw/zinc/95/15/34/1090951534.db2.gz KXWLXIXJUPRLHA-UHFFFAOYSA-N 1 1 312.207 3.149 20 10 DGCDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204346124 1090952521 /nfs/dbraw/zinc/95/25/21/1090952521.db2.gz LFVJRFLZMMRMPC-LBPRGKRZSA-N 1 1 317.385 3.308 20 10 DGCDMO COc1ccccc1[C@H](C)[N@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204346124 1090952526 /nfs/dbraw/zinc/95/25/26/1090952526.db2.gz LFVJRFLZMMRMPC-LBPRGKRZSA-N 1 1 317.385 3.308 20 10 DGCDMO Cc1c(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c2ccccc2n1C ZINC001138252583 1091126277 /nfs/dbraw/zinc/12/62/77/1091126277.db2.gz MMZDVRCUIPQWRR-IFXJQAMLSA-N 1 1 300.446 3.470 20 10 DGCDMO Cc1c(C[NH+]2CC(N3CCC(F)CC3)C2)c2ccccc2n1C ZINC001138258504 1091127242 /nfs/dbraw/zinc/12/72/42/1091127242.db2.gz TYYIAUIRQOAISJ-UHFFFAOYSA-N 1 1 315.436 3.105 20 10 DGCDMO Cc1noc([C@@H]2CC[N@H+](Cc3c(C)n(C)c4ccccc43)C2)n1 ZINC001138258673 1091127483 /nfs/dbraw/zinc/12/74/83/1091127483.db2.gz YILZXKRHMRCHRG-CQSZACIVSA-N 1 1 310.401 3.168 20 10 DGCDMO Cc1c(C[N@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c2ccccc2n1C ZINC001138258356 1091127530 /nfs/dbraw/zinc/12/75/30/1091127530.db2.gz QWBBOKMOQZOZBR-OKILXGFUSA-N 1 1 320.383 3.200 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc3nccnc23)cc1 ZINC001138307821 1091137029 /nfs/dbraw/zinc/13/70/29/1091137029.db2.gz NNPPKZGZUSBAIT-UHFFFAOYSA-N 1 1 306.413 3.328 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cc(O)cc(O)c1 ZINC001138329645 1091141991 /nfs/dbraw/zinc/14/19/91/1091141991.db2.gz BTNNMZRURASFTN-UHFFFAOYSA-N 1 1 312.413 3.330 20 10 DGCDMO CC1(C)CCC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337951 1091145254 /nfs/dbraw/zinc/14/52/54/1091145254.db2.gz HOFSFHFFLAZTFG-UHFFFAOYSA-N 1 1 300.446 3.465 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CC[C@H]4OCCC[C@H]4C3)ccc21 ZINC001138354253 1091150116 /nfs/dbraw/zinc/15/01/16/1091150116.db2.gz CDVDXZILOQACOP-PKOBYXMFSA-N 1 1 300.446 3.070 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CCC(=O)[C@H]4CCCC[C@H]43)ccc21 ZINC001138354860 1091150781 /nfs/dbraw/zinc/15/07/81/1091150781.db2.gz WWVKLYFMVQGNTO-PKOBYXMFSA-N 1 1 312.457 3.403 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)CCC[C@@]1(C)O ZINC001138354346 1091150793 /nfs/dbraw/zinc/15/07/93/1091150793.db2.gz GIDCZNQYBAJPSD-HNAYVOBHSA-N 1 1 302.462 3.052 20 10 DGCDMO CN1CCCc2cc(C[N@@H+](C)Cc3ccc4c(c3)OCO4)ccc21 ZINC001138356969 1091150870 /nfs/dbraw/zinc/15/08/70/1091150870.db2.gz WNQVGLYEKCDWEQ-UHFFFAOYSA-N 1 1 324.424 3.430 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(OC)c1 ZINC001138386894 1091163485 /nfs/dbraw/zinc/16/34/85/1091163485.db2.gz ZIXVFHGCGNJRPR-BHYGNILZSA-N 1 1 306.425 3.331 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001138496956 1091206247 /nfs/dbraw/zinc/20/62/47/1091206247.db2.gz VSOACCHKBYSXFA-MSOLQXFVSA-N 1 1 300.446 3.145 20 10 DGCDMO COC(=O)[C@@H](C)[N@@H+](Cc1cc(C(C)C)ccc1O)C1CCC1 ZINC001205403116 1091212328 /nfs/dbraw/zinc/21/23/28/1091212328.db2.gz REIABYAUZXYESN-CYBMUJFWSA-N 1 1 305.418 3.432 20 10 DGCDMO CC(C)c1ccc(O)c(C[NH2+]CCCN2CCCO[C@@H](C)C2)c1 ZINC001205406664 1091214021 /nfs/dbraw/zinc/21/40/21/1091214021.db2.gz SNIQTLFKVKRRNM-INIZCTEOSA-N 1 1 320.477 3.106 20 10 DGCDMO C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC[C@@H]1C[NH3+] ZINC001205638613 1091291893 /nfs/dbraw/zinc/29/18/93/1091291893.db2.gz PYMHIKXTIDKSDM-NWDGAFQWSA-N 1 1 316.367 3.218 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC[C@@H]1C[NH3+] ZINC001205638613 1091291900 /nfs/dbraw/zinc/29/19/00/1091291900.db2.gz PYMHIKXTIDKSDM-NWDGAFQWSA-N 1 1 316.367 3.218 20 10 DGCDMO C[C@@H]1CC[C@@H](CN)[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205817849 1091363496 /nfs/dbraw/zinc/36/34/96/1091363496.db2.gz RPXRHJOUSMIICY-APWZRJJASA-N 1 1 301.478 3.236 20 10 DGCDMO C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205817849 1091363509 /nfs/dbraw/zinc/36/35/09/1091363509.db2.gz RPXRHJOUSMIICY-APWZRJJASA-N 1 1 301.478 3.236 20 10 DGCDMO Nc1ccc(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)cc1 ZINC001205817921 1091364777 /nfs/dbraw/zinc/36/47/77/1091364777.db2.gz QKAJUHOVSXDKGI-UHFFFAOYSA-N 1 1 309.413 3.334 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3C[C@H](C)CC[C@@H]3CN)c2c1 ZINC001205842024 1091376656 /nfs/dbraw/zinc/37/66/56/1091376656.db2.gz MCDSCPSZOVBWGZ-UKRRQHHQSA-N 1 1 314.429 3.113 20 10 DGCDMO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)C[C@@H]1CC1(C)C ZINC001139130665 1091459261 /nfs/dbraw/zinc/45/92/61/1091459261.db2.gz GXWHAFMFFBSPFF-LBPRGKRZSA-N 1 1 301.386 3.285 20 10 DGCDMO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139404589 1091550201 /nfs/dbraw/zinc/55/02/01/1091550201.db2.gz PVWSUUJEDUMCHU-CALCHBBNSA-N 1 1 301.478 3.201 20 10 DGCDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139404589 1091550205 /nfs/dbraw/zinc/55/02/05/1091550205.db2.gz PVWSUUJEDUMCHU-CALCHBBNSA-N 1 1 301.478 3.201 20 10 DGCDMO CCC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)[C@H](C)CC ZINC001139404562 1091550227 /nfs/dbraw/zinc/55/02/27/1091550227.db2.gz OPNLBKKIANDYRN-QGZVFWFLSA-N 1 1 303.494 3.449 20 10 DGCDMO CCC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)[C@H](C)CC ZINC001139404562 1091550234 /nfs/dbraw/zinc/55/02/34/1091550234.db2.gz OPNLBKKIANDYRN-QGZVFWFLSA-N 1 1 303.494 3.449 20 10 DGCDMO CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139673333 1091639865 /nfs/dbraw/zinc/63/98/65/1091639865.db2.gz FLFAJRIBIWGJTC-IBGZPJMESA-N 1 1 318.461 3.226 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)CC2(OC)CCCC2)cc1 ZINC001206544044 1091664065 /nfs/dbraw/zinc/66/40/65/1091664065.db2.gz 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CC[N@@H+](CCCN(C)C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078167 1092131599 /nfs/dbraw/zinc/13/15/99/1092131599.db2.gz NLPAOFOCXPKDHY-UHFFFAOYSA-N 1 1 315.505 3.159 20 10 DGCDMO Cc1cccc2c1CC[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141140324 1092147902 /nfs/dbraw/zinc/14/79/02/1092147902.db2.gz KOEBRLPHICNHRV-UHFFFAOYSA-N 1 1 308.425 3.382 20 10 DGCDMO CN1CCOc2cc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)ccc21 ZINC001141142853 1092148509 /nfs/dbraw/zinc/14/85/09/1092148509.db2.gz CXABXRBONLIPFU-CYBMUJFWSA-N 1 1 314.351 3.290 20 10 DGCDMO CN1CCOc2cc(C[N@H+]3CC[C@H](F)C(F)(F)CC3)ccc21 ZINC001141141108 1092149098 /nfs/dbraw/zinc/14/90/98/1092149098.db2.gz UDUZZDAJQOTABM-HNNXBMFYSA-N 1 1 314.351 3.084 20 10 DGCDMO CN1CCOc2cc(C[N@H+]3CCC[C@@H](c4ccccn4)C3)ccc21 ZINC001141143537 1092150173 /nfs/dbraw/zinc/15/01/73/1092150173.db2.gz CWFGYEUZGZVSDR-QGZVFWFLSA-N 1 1 323.440 3.290 20 10 DGCDMO CN1CCOc2cc(C[N@H+]3CCC[C@H](c4ccccn4)C3)ccc21 ZINC001141143536 1092150511 /nfs/dbraw/zinc/15/05/11/1092150511.db2.gz 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DGCDMO Cc1ccc(C)n1-c1ccc(CN2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001209518849 1092805155 /nfs/dbraw/zinc/80/51/55/1092805155.db2.gz USUVRGMWFDFSAP-FQEVSTJZSA-N 1 1 309.457 3.374 20 10 DGCDMO Oc1cccc2c1C[N@@H+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC001209763095 1092909711 /nfs/dbraw/zinc/90/97/11/1092909711.db2.gz OZFSLANOSHZTTK-UHFFFAOYSA-N 1 1 305.381 3.341 20 10 DGCDMO F[C@H]1CC[NH2+][C@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001217705813 1094477272 /nfs/dbraw/zinc/47/72/72/1094477272.db2.gz KIIXOSXMPQMVTR-ZFWWWQNUSA-N 1 1 312.348 3.290 20 10 DGCDMO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC001139674349 1095040936 /nfs/dbraw/zinc/04/09/36/1095040936.db2.gz VMXUSYULJBEPQR-GUYCJALGSA-N 1 1 306.450 3.081 20 10 DGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000314767421 1095065454 /nfs/dbraw/zinc/06/54/54/1095065454.db2.gz WHKOEUFBJFFAMA-YCPHGPKFSA-N 1 1 300.446 3.323 20 10 DGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000314767421 1095065466 /nfs/dbraw/zinc/06/54/66/1095065466.db2.gz WHKOEUFBJFFAMA-YCPHGPKFSA-N 1 1 300.446 3.323 20 10 DGCDMO C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4cc3O)C[C@H]2CC1 ZINC001276812532 1095083228 /nfs/dbraw/zinc/08/32/28/1095083228.db2.gz HCVVKHDPUTVSJV-HDICACEKSA-N 1 1 310.441 3.319 20 10 DGCDMO C[NH+]1CC[C@H]2C[N@H+](Cc3cc4ccccc4cc3O)C[C@H]2CC1 ZINC001276812532 1095083244 /nfs/dbraw/zinc/08/32/44/1095083244.db2.gz HCVVKHDPUTVSJV-HDICACEKSA-N 1 1 310.441 3.319 20 10 DGCDMO Cc1cnc(C[N@H+](C)Cc2ccccc2O)cc1Br ZINC001143662528 1095337760 /nfs/dbraw/zinc/33/77/60/1095337760.db2.gz RBOMTLVBNLTJMS-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO [O-]c1c(F)cccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161076 1095467038 /nfs/dbraw/zinc/46/70/38/1095467038.db2.gz KOVZVFPTGKMDDM-GOSISDBHSA-N 1 1 306.425 3.277 20 10 DGCDMO CCOc1cccc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c1O ZINC001339300470 1095578991 /nfs/dbraw/zinc/57/89/91/1095578991.db2.gz JEPUKNKLXVIYOC-UHFFFAOYSA-N 1 1 317.433 3.444 20 10 DGCDMO 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DHEHGKFXJYHDFW-ABAIWWIYSA-N 1 1 315.335 3.412 20 10 DGCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC001233451810 1098338502 /nfs/dbraw/zinc/33/85/02/1098338502.db2.gz AASSMWYKPCILHK-AWEZNQCLSA-N 1 1 301.308 3.023 20 10 DGCDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233455112 1098339666 /nfs/dbraw/zinc/33/96/66/1098339666.db2.gz WYEQRUZMGFHKOC-CYBMUJFWSA-N 1 1 303.324 3.146 20 10 DGCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCc2ccncc2C1 ZINC001233454330 1098339733 /nfs/dbraw/zinc/33/97/33/1098339733.db2.gz QEUYZVCQDHFEBO-UHFFFAOYSA-N 1 1 308.303 3.364 20 10 DGCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC001233455335 1098340466 /nfs/dbraw/zinc/34/04/66/1098340466.db2.gz GFZQZTKKQAPOKU-ZDUSSCGKSA-N 1 1 301.308 3.022 20 10 DGCDMO Oc1cc(C(F)(F)F)ccc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001233454022 1098341122 /nfs/dbraw/zinc/34/11/22/1098341122.db2.gz CVPHFAWVDPZDNX-CQSZACIVSA-N 1 1 314.351 3.081 20 10 DGCDMO CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1O ZINC001233455056 1098341824 /nfs/dbraw/zinc/34/18/24/1098341824.db2.gz UMRHGNSCDZRFIB-ZDUSSCGKSA-N 1 1 301.308 3.355 20 10 DGCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)cc1O ZINC001233485771 1098347086 /nfs/dbraw/zinc/34/70/86/1098347086.db2.gz KHTSXXOICRVVRQ-LLVKDONJSA-N 1 1 319.788 3.446 20 10 DGCDMO C[N@@H+](Cc1cn2c(cccc2Cl)n1)Cc1ccccc1O ZINC001233599336 1098385586 /nfs/dbraw/zinc/38/55/86/1098385586.db2.gz IAFBGXVXAHYBPH-UHFFFAOYSA-N 1 1 301.777 3.325 20 10 DGCDMO C[N@@H+](Cc1cccc(OC(F)(F)F)c1O)[C@H]1CC[C@H](O)CC1 ZINC001233736132 1098419318 /nfs/dbraw/zinc/41/93/18/1098419318.db2.gz CUCBMBCKMQPGTB-HAQNSBGRSA-N 1 1 319.323 3.026 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+]3CCC(=O)[C@@H](F)CC3)c2c1 ZINC001234525394 1098580981 /nfs/dbraw/zinc/58/09/81/1098580981.db2.gz FMBIDWZODWPCIV-INIZCTEOSA-N 1 1 317.360 3.057 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCCC(=O)[C@@H](C)C3)c2c1 ZINC001234525129 1098581560 /nfs/dbraw/zinc/58/15/60/1098581560.db2.gz BEGSTYLRCZCRSI-ZDUSSCGKSA-N 1 1 313.397 3.355 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+](C)CCN3CCCC3)c2c1 ZINC001234562836 1098602053 /nfs/dbraw/zinc/60/20/53/1098602053.db2.gz VNIQAZRXGFOFRL-UHFFFAOYSA-N 1 1 314.429 3.082 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)CCN3CCCC3)c2c1 ZINC001234562836 1098602059 /nfs/dbraw/zinc/60/20/59/1098602059.db2.gz VNIQAZRXGFOFRL-UHFFFAOYSA-N 1 1 314.429 3.082 20 10 DGCDMO CN(C)CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)(C)C ZINC001177823773 1098607533 /nfs/dbraw/zinc/60/75/33/1098607533.db2.gz ZNYQZLLPNFPXHR-KRWDZBQOSA-N 1 1 309.473 3.348 20 10 DGCDMO OC[C@H]1C[C@@H](F)C[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234993257 1098738773 /nfs/dbraw/zinc/73/87/73/1098738773.db2.gz XSZKLZCARJDPFX-WMLDXEAASA-N 1 1 315.388 3.212 20 10 DGCDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2)c1O ZINC001234996670 1098741383 /nfs/dbraw/zinc/74/13/83/1098741383.db2.gz LVTJKFJCWGEWRC-SFHVURJKSA-N 1 1 324.424 3.112 20 10 DGCDMO [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093835 1098795689 /nfs/dbraw/zinc/79/56/89/1098795689.db2.gz RGNDPUBMAXVFRN-UHFFFAOYSA-N 1 1 315.244 3.275 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235193974 1098871006 /nfs/dbraw/zinc/87/10/06/1098871006.db2.gz TZQCTYYVIGFZDW-RTBURBONSA-N 1 1 309.457 3.135 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235269181 1098939915 /nfs/dbraw/zinc/93/99/15/1098939915.db2.gz LJSJNLKUUWYQKA-AZUAARDMSA-N 1 1 309.457 3.278 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235269186 1098940600 /nfs/dbraw/zinc/94/06/00/1098940600.db2.gz LJSJNLKUUWYQKA-UYAOXDASSA-N 1 1 309.457 3.278 20 10 DGCDMO Nc1ccc(CN2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001235382825 1098989563 /nfs/dbraw/zinc/98/95/63/1098989563.db2.gz ZMWAYWWIWZIXTG-CTNGQTDRSA-N 1 1 321.468 3.365 20 10 DGCDMO Nc1ccc(C[N@@H+]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 ZINC001235382825 1098989572 /nfs/dbraw/zinc/98/95/72/1098989572.db2.gz ZMWAYWWIWZIXTG-CTNGQTDRSA-N 1 1 321.468 3.365 20 10 DGCDMO Nc1ccc(C[N@H+]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 ZINC001235382825 1098989582 /nfs/dbraw/zinc/98/95/82/1098989582.db2.gz ZMWAYWWIWZIXTG-CTNGQTDRSA-N 1 1 321.468 3.365 20 10 DGCDMO C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)[C@H]1CCC2(C1)OCCO2 ZINC001235679207 1099122909 /nfs/dbraw/zinc/12/29/09/1099122909.db2.gz DNFVHVZTGFPWEW-INIZCTEOSA-N 1 1 319.445 3.417 20 10 DGCDMO CCC[NH+]1C[C@@H]2CN(Cc3ccc(C(C)(C)C)cc3O)C[C@H]2C1 ZINC001235680095 1099124304 /nfs/dbraw/zinc/12/43/04/1099124304.db2.gz HUKPELDRHUNEPI-IAGOWNOFSA-N 1 1 316.489 3.463 20 10 DGCDMO CCOC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(C(C)(C)C)cc1O ZINC001235681716 1099124928 /nfs/dbraw/zinc/12/49/28/1099124928.db2.gz JFJHVTUFFBYLSQ-HNAYVOBHSA-N 1 1 317.429 3.217 20 10 DGCDMO CCOC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccc(C(C)(C)C)cc1O ZINC001235681716 1099124932 /nfs/dbraw/zinc/12/49/32/1099124932.db2.gz JFJHVTUFFBYLSQ-HNAYVOBHSA-N 1 1 317.429 3.217 20 10 DGCDMO Oc1c(Cl)cccc1CN1CC[NH2+]C[C@H]1c1ccccc1F ZINC001235752461 1099164792 /nfs/dbraw/zinc/16/47/92/1099164792.db2.gz JFFWPKZGEPHQIQ-INIZCTEOSA-N 1 1 320.795 3.331 20 10 DGCDMO CC(C)(C)c1cc(O)c(CN2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235936104 1099270514 /nfs/dbraw/zinc/27/05/14/1099270514.db2.gz HTEBVWQSNUPRCT-JSGCOSHPSA-N 1 1 322.880 3.384 20 10 DGCDMO CCC[C@@H]1CNCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236132463 1099420371 /nfs/dbraw/zinc/42/03/71/1099420371.db2.gz LIIFRQZXOPAARX-QGZVFWFLSA-N 1 1 311.473 3.480 20 10 DGCDMO CCC[C@@H]1CNCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236132463 1099420373 /nfs/dbraw/zinc/42/03/73/1099420373.db2.gz LIIFRQZXOPAARX-QGZVFWFLSA-N 1 1 311.473 3.480 20 10 DGCDMO CCCC[C@H]1CN(Cc2ccc(OC)c(Cl)c2O)CC[NH2+]1 ZINC001236140762 1099426658 /nfs/dbraw/zinc/42/66/58/1099426658.db2.gz GAMPONCRTKYTOY-ZDUSSCGKSA-N 1 1 312.841 3.018 20 10 DGCDMO [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322007 1099535210 /nfs/dbraw/zinc/53/52/10/1099535210.db2.gz ZZGXAHLKIWPHKK-PHIMTYICSA-N 1 1 315.244 3.130 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCc3c(N)cccc3C2)c1O ZINC001236365486 1099554485 /nfs/dbraw/zinc/55/44/85/1099554485.db2.gz LWVRGKFPKXLBAE-UHFFFAOYSA-N 1 1 302.805 3.495 20 10 DGCDMO [O-]c1cc(F)c(F)cc1C[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653715 1099723874 /nfs/dbraw/zinc/72/38/74/1099723874.db2.gz MINNMYCRGGCXEK-AWEZNQCLSA-N 1 1 310.388 3.167 20 10 DGCDMO C[C@@H]1CCC[N@@H+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236769807 1099776418 /nfs/dbraw/zinc/77/64/18/1099776418.db2.gz YXUGTJVFDUNGKC-SNVBAGLBSA-N 1 1 314.223 3.482 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)Cc1cc(OC)c(OC)cc1O ZINC001236757801 1099772531 /nfs/dbraw/zinc/77/25/31/1099772531.db2.gz PKNTYZUKQBDPOF-UHFFFAOYSA-N 1 1 317.385 3.137 20 10 DGCDMO C[C@@H]1COCC[N@@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001236778724 1099780447 /nfs/dbraw/zinc/78/04/47/1099780447.db2.gz MIVNIBGCAYMQLH-OAHLLOKOSA-N 1 1 313.397 3.192 20 10 DGCDMO C[C@@H]1COCC[N@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001236778724 1099780455 /nfs/dbraw/zinc/78/04/55/1099780455.db2.gz MIVNIBGCAYMQLH-OAHLLOKOSA-N 1 1 313.397 3.192 20 10 DGCDMO CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(CC)cc2O)C[C@H]1C ZINC001236786870 1099782737 /nfs/dbraw/zinc/78/27/37/1099782737.db2.gz FAWRIPOIGATPCJ-ZBFHGGJFSA-N 1 1 319.445 3.366 20 10 DGCDMO CCc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001236791077 1099786859 /nfs/dbraw/zinc/78/68/59/1099786859.db2.gz CVWANLORSXWPQP-HNNXBMFYSA-N 1 1 305.418 3.261 20 10 DGCDMO CCc1noc([C@H]2CCC[N@@H+](Cc3ccc(CC)cc3O)C2)n1 ZINC001236792273 1099788630 /nfs/dbraw/zinc/78/86/30/1099788630.db2.gz NISFIZRZFHYIGA-HNNXBMFYSA-N 1 1 315.417 3.280 20 10 DGCDMO COc1ccc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c(O)c1Cl ZINC001236804206 1099796043 /nfs/dbraw/zinc/79/60/43/1099796043.db2.gz XIANEPIXKAYTBK-MRXNPFEDSA-N 1 1 313.825 3.037 20 10 DGCDMO COc1ccc(C[N@H+]2CC(C)(C)C[C@]2(C)CO)c(O)c1Cl ZINC001236804206 1099796050 /nfs/dbraw/zinc/79/60/50/1099796050.db2.gz XIANEPIXKAYTBK-MRXNPFEDSA-N 1 1 313.825 3.037 20 10 DGCDMO CC[N@@H+](CCC(=O)OC)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236803043 1099796531 /nfs/dbraw/zinc/79/65/31/1099796531.db2.gz LZALCZPDPQBCAY-UHFFFAOYSA-N 1 1 306.189 3.084 20 10 DGCDMO CC[N@H+](CCC(=O)OC)Cc1cc(Cl)c(Cl)cc1O ZINC001236803043 1099796535 /nfs/dbraw/zinc/79/65/35/1099796535.db2.gz LZALCZPDPQBCAY-UHFFFAOYSA-N 1 1 306.189 3.084 20 10 DGCDMO CC[N@@H+](CCC(=O)OC)Cc1cc(Cl)c(Cl)cc1O ZINC001236803043 1099796547 /nfs/dbraw/zinc/79/65/47/1099796547.db2.gz LZALCZPDPQBCAY-UHFFFAOYSA-N 1 1 306.189 3.084 20 10 DGCDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1c(C)cc(OC)cc1O)C2 ZINC001236810383 1099799331 /nfs/dbraw/zinc/79/93/31/1099799331.db2.gz XCUSUYQWIDJGAA-BEFAXECRSA-N 1 1 319.445 3.348 20 10 DGCDMO COc1ccc(CN2CCC([N@H+](C)C3CC3)CC2)c(O)c1Cl ZINC001236807098 1099799939 /nfs/dbraw/zinc/79/99/39/1099799939.db2.gz MLHMQNWURMLILH-UHFFFAOYSA-N 1 1 324.852 3.113 20 10 DGCDMO COc1ccc(CN2CCC([N@@H+](C)C3CC3)CC2)c(O)c1Cl ZINC001236807098 1099799948 /nfs/dbraw/zinc/79/99/48/1099799948.db2.gz MLHMQNWURMLILH-UHFFFAOYSA-N 1 1 324.852 3.113 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCC[C@H]2Cc2ccccn2)c(O)c1 ZINC001236814740 1099802278 /nfs/dbraw/zinc/80/22/78/1099802278.db2.gz VQFSZNSRVDGQNN-INIZCTEOSA-N 1 1 312.413 3.311 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c(O)c1 ZINC001236817099 1099802887 /nfs/dbraw/zinc/80/28/87/1099802887.db2.gz COCVPFJQBRLPRU-CQSZACIVSA-N 1 1 303.324 3.278 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c(O)c1 ZINC001236811658 1099804264 /nfs/dbraw/zinc/80/42/64/1099804264.db2.gz VETWADZQEAHYKN-UHFFFAOYSA-N 1 1 315.369 3.070 20 10 DGCDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236833198 1099820563 /nfs/dbraw/zinc/82/05/63/1099820563.db2.gz PQRKYPJSPFZEBQ-MRXNPFEDSA-N 1 1 313.397 3.321 20 10 DGCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001236835448 1099824180 /nfs/dbraw/zinc/82/41/80/1099824180.db2.gz LXHSARWLLINJFF-AWEZNQCLSA-N 1 1 313.397 3.321 20 10 DGCDMO Clc1cc(N2CCOCC2)ccc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001236918491 1099877257 /nfs/dbraw/zinc/87/72/57/1099877257.db2.gz JJHOQRQRBQXGGT-DZGCQCFKSA-N 1 1 306.837 3.161 20 10 DGCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236929664 1099879630 /nfs/dbraw/zinc/87/96/30/1099879630.db2.gz RZMDRSUPVLPZCN-AWEZNQCLSA-N 1 1 308.853 3.409 20 10 DGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000691675617 1099925105 /nfs/dbraw/zinc/92/51/05/1099925105.db2.gz JIASMNKNMUWZPG-AWEZNQCLSA-N 1 1 314.223 3.156 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](COCC3CC3)C2)c(O)c1 ZINC001237043800 1099941950 /nfs/dbraw/zinc/94/19/50/1099941950.db2.gz CGNVIHVOSFNCGT-OAHLLOKOSA-N 1 1 305.418 3.039 20 10 DGCDMO CCOC(=O)C[N@@H+](Cc1ccc(OCC)cc1O)C1CCCC1 ZINC001237046284 1099942434 /nfs/dbraw/zinc/94/24/34/1099942434.db2.gz ADFNUYHLFUDOIJ-UHFFFAOYSA-N 1 1 321.417 3.099 20 10 DGCDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237049362 1099944171 /nfs/dbraw/zinc/94/41/71/1099944171.db2.gz NTILZKLNIYBTIN-SFHVURJKSA-N 1 1 305.418 3.291 20 10 DGCDMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237054594 1099948699 /nfs/dbraw/zinc/94/86/99/1099948699.db2.gz CYZWZQJKIJFDTN-MRXNPFEDSA-N 1 1 304.434 3.006 20 10 DGCDMO COc1cc(O)c(C[NH+]2CC(C)(C)C2)c(Br)c1 ZINC001237064122 1099953417 /nfs/dbraw/zinc/95/34/17/1099953417.db2.gz WWGAXOLMJZFKAK-UHFFFAOYSA-N 1 1 300.196 3.005 20 10 DGCDMO C[C@]1(O)CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237077717 1099958397 /nfs/dbraw/zinc/95/83/97/1099958397.db2.gz JTXPMZSUVSOPIQ-AWEZNQCLSA-N 1 1 304.217 3.436 20 10 DGCDMO C[C@]1(O)CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237077717 1099958401 /nfs/dbraw/zinc/95/84/01/1099958401.db2.gz JTXPMZSUVSOPIQ-AWEZNQCLSA-N 1 1 304.217 3.436 20 10 DGCDMO COCC[N@@H+](Cc1c(O)cccc1OC(F)(F)F)C(C)C ZINC001237111033 1099977678 /nfs/dbraw/zinc/97/76/78/1099977678.db2.gz MKNGXXHYHRJTLQ-UHFFFAOYSA-N 1 1 307.312 3.148 20 10 DGCDMO CCO[C@@H]1CCC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237111082 1099977620 /nfs/dbraw/zinc/97/76/20/1099977620.db2.gz NQRVZXKPNQMDTR-LLVKDONJSA-N 1 1 319.323 3.292 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C[C@@]1(C)O ZINC001237138234 1099989186 /nfs/dbraw/zinc/98/91/86/1099989186.db2.gz WCGOFKBJZRUHDL-QMTHXVAHSA-N 1 1 303.324 3.004 20 10 DGCDMO Cc1ncc(C[N@H+](C)Cc2cc(C(F)(F)F)ccc2O)cn1 ZINC001237144001 1099993882 /nfs/dbraw/zinc/99/38/82/1099993882.db2.gz NTPWDJJDJWFOHY-UHFFFAOYSA-N 1 1 311.307 3.141 20 10 DGCDMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237147343 1099996879 /nfs/dbraw/zinc/99/68/79/1099996879.db2.gz ZYRNEJCZWNXRQA-AWEZNQCLSA-N 1 1 316.367 3.326 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237379613 1100099636 /nfs/dbraw/zinc/09/96/36/1100099636.db2.gz CCGBSAIEODQGSC-HKUYNNGSSA-N 1 1 301.478 3.107 20 10 DGCDMO COc1ccc2c(c1)n[nH]c2C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001237396391 1100108598 /nfs/dbraw/zinc/10/85/98/1100108598.db2.gz GLJDOZRBFVQQPE-UHFFFAOYSA-N 1 1 324.428 3.270 20 10 DGCDMO COc1ccc2c(c1)[nH]nc2C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001237396391 1100108607 /nfs/dbraw/zinc/10/86/07/1100108607.db2.gz GLJDOZRBFVQQPE-UHFFFAOYSA-N 1 1 324.428 3.270 20 10 DGCDMO COc1ccc2c(c1)[nH]nc2C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001237396391 1100108614 /nfs/dbraw/zinc/10/86/14/1100108614.db2.gz GLJDOZRBFVQQPE-UHFFFAOYSA-N 1 1 324.428 3.270 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CCO1 ZINC001237641180 1100199949 /nfs/dbraw/zinc/19/99/49/1100199949.db2.gz NVVPUADAHHNKMB-ZDUSSCGKSA-N 1 1 301.361 3.419 20 10 DGCDMO Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001237646984 1100201511 /nfs/dbraw/zinc/20/15/11/1100201511.db2.gz UHTZBGZTZNSXSR-CALCHBBNSA-N 1 1 313.372 3.277 20 10 DGCDMO COC(=O)CC[N@@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237650999 1100204891 /nfs/dbraw/zinc/20/48/91/1100204891.db2.gz XWASZNJSHGLNPN-UHFFFAOYSA-N 1 1 317.360 3.193 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H]2c2cccnc2)c(O)c(OC)c1 ZINC001237674697 1100209595 /nfs/dbraw/zinc/20/95/95/1100209595.db2.gz LOVADWHOOYCWRQ-INIZCTEOSA-N 1 1 314.385 3.142 20 10 DGCDMO 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/nfs/dbraw/zinc/12/01/07/130120107.db2.gz TVDWYWMRXKNXBM-GFCCVEGCSA-N 1 1 316.376 3.084 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)c1 ZINC000273540894 130133162 /nfs/dbraw/zinc/13/31/62/130133162.db2.gz YFYZTQXERCCUQI-BMIGLBTASA-N 1 1 323.339 3.063 20 10 DGCDMO CC[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(F)cc1O ZINC000285977017 131213442 /nfs/dbraw/zinc/21/34/42/131213442.db2.gz HLMUUMNZGMDINM-XCLFUZPHSA-N 1 1 301.427 3.119 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(F)cc1O ZINC000286337729 131231517 /nfs/dbraw/zinc/23/15/17/131231517.db2.gz YRAWWVKVDLVCAA-DZGCQCFKSA-N 1 1 309.381 3.258 20 10 DGCDMO C[N@H+](Cc1ccccc1O)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287750725 131298377 /nfs/dbraw/zinc/29/83/77/131298377.db2.gz LRDAEMVLKRKVPV-INIZCTEOSA-N 1 1 305.805 3.081 20 10 DGCDMO COc1ccccc1C[N@@H+](CCO)Cc1cc(C)c(C)cc1O ZINC000091790373 400137533 /nfs/dbraw/zinc/13/75/33/400137533.db2.gz UMJSMZOSAYMHEH-UHFFFAOYSA-N 1 1 315.413 3.012 20 10 DGCDMO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000355128351 229304945 /nfs/dbraw/zinc/30/49/45/229304945.db2.gz UWEBTULTPSXVJO-UHFFFAOYSA-N 1 1 304.344 3.368 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCc1ccccn1)C[C@@H]1CCCO1 ZINC000111232945 431200670 /nfs/dbraw/zinc/20/06/70/431200670.db2.gz MZFNTZPHFUWAEA-SFHVURJKSA-N 1 1 312.413 3.011 20 10 DGCDMO CCCOc1ccc(CN2CC[C@H](C[NH+](CC)CC)C2)c(O)c1 ZINC000093693576 431916764 /nfs/dbraw/zinc/91/67/64/431916764.db2.gz NKHAPYJUUSPHGL-MRXNPFEDSA-N 1 1 320.477 3.345 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1n1ccnc1 ZINC000191442923 432265551 /nfs/dbraw/zinc/26/55/51/432265551.db2.gz SJPKRNAHUGEQES-FZMZJTMJSA-N 1 1 323.799 3.464 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1cc(Cl)c(Cl)cc1O ZINC000192650619 432396603 /nfs/dbraw/zinc/39/66/03/432396603.db2.gz APWVOUJQMONQJU-UFBFGSQYSA-N 1 1 317.216 3.018 20 10 DGCDMO Cc1ccc(O)c(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192933496 432431509 /nfs/dbraw/zinc/43/15/09/432431509.db2.gz PEBPHFNYIUOLCV-GOSISDBHSA-N 1 1 310.441 3.312 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000184997634 432454491 /nfs/dbraw/zinc/45/44/91/432454491.db2.gz VMYULVXJILNGIL-GJZGRUSLSA-N 1 1 314.473 3.406 20 10 DGCDMO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000271545063 432420293 /nfs/dbraw/zinc/42/02/93/432420293.db2.gz ZAFUPCLDCVDECW-SJCJKPOMSA-N 1 1 320.383 3.415 20 10 DGCDMO CCOc1ccc(O)c(C[NH2+][C@H](C)c2nnc([C@@H](C)CC)[nH]2)c1 ZINC000277442275 432850298 /nfs/dbraw/zinc/85/02/98/432850298.db2.gz OKIIOJJHGFIRRG-NWDGAFQWSA-N 1 1 318.421 3.273 20 10 DGCDMO CC[C@H]([NH2+][C@H](C(=O)N(C)CC)C(C)C)c1ccc(F)cc1O ZINC000296586230 432923310 /nfs/dbraw/zinc/92/33/10/432923310.db2.gz URZKKSBDSNNAIR-HOCLYGCPSA-N 1 1 310.413 3.075 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H](C)CCc2ccco2)ccc1[N+](=O)[O-] ZINC000278912455 432916528 /nfs/dbraw/zinc/91/65/28/432916528.db2.gz SQSBQJTYDXKLNS-NSHDSACASA-N 1 1 320.345 3.013 20 10 DGCDMO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccc(F)cc1O ZINC000289673077 432970535 /nfs/dbraw/zinc/97/05/35/432970535.db2.gz HIHNDBQICZQGGE-IXDGSTSKSA-N 1 1 315.388 3.348 20 10 DGCDMO C[C@H]([NH2+]CCc1cn[nH]c1)c1cc(Cl)c(Cl)cc1O ZINC000289652536 432971399 /nfs/dbraw/zinc/97/13/99/432971399.db2.gz GHXMQPAMAXYQMP-QMMMGPOBSA-N 1 1 300.189 3.315 20 10 DGCDMO C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000279497731 432976861 /nfs/dbraw/zinc/97/68/61/432976861.db2.gz MGGGYPDSSMWGEQ-HNNXBMFYSA-N 1 1 321.428 3.184 20 10 DGCDMO C[NH+](C)C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000290192248 433008361 /nfs/dbraw/zinc/00/83/61/433008361.db2.gz TUTOIPMMPHJTLV-GOSISDBHSA-N 1 1 314.404 3.153 20 10 DGCDMO CC[C@@H]([NH2+]C1CCN(CCCOC)CC1)c1ccc(C)cc1O ZINC000280282106 433028657 /nfs/dbraw/zinc/02/86/57/433028657.db2.gz YOWBVCIGUYRXBX-GOSISDBHSA-N 1 1 320.477 3.242 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1O ZINC000373472896 433153819 /nfs/dbraw/zinc/15/38/19/433153819.db2.gz GOLKYWPVOXPCJH-BMIGLBTASA-N 1 1 311.809 3.054 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1O ZINC000373472896 433153823 /nfs/dbraw/zinc/15/38/23/433153823.db2.gz GOLKYWPVOXPCJH-BMIGLBTASA-N 1 1 311.809 3.054 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000290952971 433211902 /nfs/dbraw/zinc/21/19/02/433211902.db2.gz QULHPIITXSCJEE-FUHWJXTLSA-N 1 1 317.429 3.324 20 10 DGCDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCOC(C)(C)C1 ZINC000291624602 433290793 /nfs/dbraw/zinc/29/07/93/433290793.db2.gz RWOGZJZBIJASHA-AWEZNQCLSA-N 1 1 323.433 3.189 20 10 DGCDMO CCCc1nc(C)c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000291653532 433300669 /nfs/dbraw/zinc/30/06/69/433300669.db2.gz DCGJRPRAQVVZLJ-UHFFFAOYSA-N 1 1 305.397 3.430 20 10 DGCDMO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1c1cccnc1 ZINC000291870265 433377296 /nfs/dbraw/zinc/37/72/96/433377296.db2.gz JUWGODHBKYDGMM-QGZVFWFLSA-N 1 1 312.369 3.099 20 10 DGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1c1cccnc1 ZINC000291870265 433377299 /nfs/dbraw/zinc/37/72/99/433377299.db2.gz JUWGODHBKYDGMM-QGZVFWFLSA-N 1 1 312.369 3.099 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc(C)n(C)n2)cc1 ZINC000282062857 433483375 /nfs/dbraw/zinc/48/33/75/433483375.db2.gz GVAZUODFIFRAIH-OAHLLOKOSA-N 1 1 300.450 3.426 20 10 DGCDMO CCCC[N@H+](Cc1nnc2n1CCCC2)Cc1ccccc1O ZINC000282398237 433593613 /nfs/dbraw/zinc/59/36/13/433593613.db2.gz HMFJOTONAUCHJO-UHFFFAOYSA-N 1 1 314.433 3.122 20 10 DGCDMO CSC[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000292495645 433568167 /nfs/dbraw/zinc/56/81/67/433568167.db2.gz UBCFDDAACILUNO-LBPRGKRZSA-N 1 1 311.422 3.309 20 10 DGCDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(C)c3O)C2)no1 ZINC000375838256 433588890 /nfs/dbraw/zinc/58/88/90/433588890.db2.gz FPAXKTPKWKMEGQ-GFCCVEGCSA-N 1 1 321.808 3.425 20 10 DGCDMO C[NH+]1CCC2(CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)CC1 ZINC000375998236 433638490 /nfs/dbraw/zinc/63/84/90/433638490.db2.gz FSGWSRIYDHVWIZ-UHFFFAOYSA-N 1 1 308.853 3.353 20 10 DGCDMO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Cl)c(Cl)cc1O ZINC000282464062 433608308 /nfs/dbraw/zinc/60/83/08/433608308.db2.gz VTNMDWSXHBWEAS-YLVJLNSGSA-N 1 1 322.257 3.261 20 10 DGCDMO Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1N(C)C ZINC000293487001 433757189 /nfs/dbraw/zinc/75/71/89/433757189.db2.gz GGTBZQMTDMLVDV-JWTNVVGKSA-N 1 1 301.478 3.118 20 10 DGCDMO Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1N(C)C ZINC000293487001 433757203 /nfs/dbraw/zinc/75/72/03/433757203.db2.gz GGTBZQMTDMLVDV-JWTNVVGKSA-N 1 1 301.478 3.118 20 10 DGCDMO Cc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1N(C)C ZINC000293487001 433757217 /nfs/dbraw/zinc/75/72/17/433757217.db2.gz GGTBZQMTDMLVDV-JWTNVVGKSA-N 1 1 301.478 3.118 20 10 DGCDMO Cc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1N(C)C ZINC000293487001 433757226 /nfs/dbraw/zinc/75/72/26/433757226.db2.gz GGTBZQMTDMLVDV-JWTNVVGKSA-N 1 1 301.478 3.118 20 10 DGCDMO C[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293802446 433875970 /nfs/dbraw/zinc/87/59/70/433875970.db2.gz CCEHNDCDWSRXBZ-ZETCQYMHSA-N 1 1 315.694 3.242 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1O ZINC000377241876 433851500 /nfs/dbraw/zinc/85/15/00/433851500.db2.gz GSKRYQFVRGZYEX-OAHLLOKOSA-N 1 1 305.418 3.039 20 10 DGCDMO C[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1n1ccnc1 ZINC000294434610 434112101 /nfs/dbraw/zinc/11/21/01/434112101.db2.gz XNEGPKNLIXEQKY-NHYWBVRUSA-N 1 1 323.799 3.464 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1n1ccnc1 ZINC000294434610 434112109 /nfs/dbraw/zinc/11/21/09/434112109.db2.gz XNEGPKNLIXEQKY-NHYWBVRUSA-N 1 1 323.799 3.464 20 10 DGCDMO C[NH+](C)[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294754299 434135033 /nfs/dbraw/zinc/13/50/33/434135033.db2.gz RPSANJLLEVVYJZ-GFCCVEGCSA-N 1 1 300.805 3.101 20 10 DGCDMO CC[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294847122 434148874 /nfs/dbraw/zinc/14/88/74/434148874.db2.gz ZOJIDPHQUWAQSO-HNNXBMFYSA-N 1 1 301.789 3.169 20 10 DGCDMO CC[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294847122 434148895 /nfs/dbraw/zinc/14/88/95/434148895.db2.gz ZOJIDPHQUWAQSO-HNNXBMFYSA-N 1 1 301.789 3.169 20 10 DGCDMO Oc1cc(F)c(Cl)cc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000295436027 434360122 /nfs/dbraw/zinc/36/01/22/434360122.db2.gz UDWAKAXUSWELQK-LBPRGKRZSA-N 1 1 312.816 3.102 20 10 DGCDMO CC[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1O ZINC000367602265 434552501 /nfs/dbraw/zinc/55/25/01/434552501.db2.gz SFFAQBSMZAUJMB-SZMVWBNQSA-N 1 1 301.361 3.230 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1F ZINC000370724549 434618499 /nfs/dbraw/zinc/61/84/99/434618499.db2.gz YTJPTQHGINPIMO-INIZCTEOSA-N 1 1 306.425 3.140 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccc(F)cc1O ZINC000371869688 434764702 /nfs/dbraw/zinc/76/47/02/434764702.db2.gz JVXDHMHAIJTRGN-SGTLLEGYSA-N 1 1 301.361 3.496 20 10 DGCDMO O=C([C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O)N1CCCC1 ZINC000372417317 434825130 /nfs/dbraw/zinc/82/51/30/434825130.db2.gz VNTJOALEBNZNPH-HNNXBMFYSA-N 1 1 322.836 3.023 20 10 DGCDMO OCCC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCCC1 ZINC000293561107 335109225 /nfs/dbraw/zinc/10/92/25/335109225.db2.gz IDBUUHKXHWJZQX-UHFFFAOYSA-N 1 1 301.789 3.217 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2csc(COC)n2)cc1 ZINC000266191828 520907269 /nfs/dbraw/zinc/90/72/69/520907269.db2.gz ISWJRRWKFACWNZ-UHFFFAOYSA-N 1 1 319.474 3.426 20 10 DGCDMO CCOc1ccc(O)c(C[NH2+]Cc2csc([C@H](C)OC)n2)c1 ZINC000267672952 521153724 /nfs/dbraw/zinc/15/37/24/521153724.db2.gz ZQKKMDOBGAXQAA-NSHDSACASA-N 1 1 322.430 3.245 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)Cc2ccc(C)cc2)cc1OC ZINC000158833127 522774613 /nfs/dbraw/zinc/77/46/13/522774613.db2.gz NUMWTLAZOKAGQV-UHFFFAOYSA-N 1 1 301.386 3.350 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2cccn2C)c1 ZINC000180638346 524737248 /nfs/dbraw/zinc/73/72/48/524737248.db2.gz KURJHDXNHVEZOG-KRWDZBQOSA-N 1 1 300.402 3.467 20 10 DGCDMO OC[C@@]1([NH2+]Cc2c(O)ccc(Cl)c2F)CCc2ccccc21 ZINC000365168245 527604460 /nfs/dbraw/zinc/60/44/60/527604460.db2.gz ISMNAEJUJYGBJS-KRWDZBQOSA-N 1 1 321.779 3.108 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCOC2CCCC2)c1 ZINC000273585165 536793907 /nfs/dbraw/zinc/79/39/07/536793907.db2.gz NOXOVKIAMYYZNY-ZDUSSCGKSA-N 1 1 321.417 3.179 20 10 DGCDMO CCCC[N@@H+](C)CCNC(=O)N(CCC)Cc1ccccc1O ZINC000732889401 574586367 /nfs/dbraw/zinc/58/63/67/574586367.db2.gz OEMAECTWISLQNW-UHFFFAOYSA-N 1 1 321.465 3.046 20 10 DGCDMO CC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)C[C@@H]1CCOC1 ZINC000738081023 574858680 /nfs/dbraw/zinc/85/86/80/574858680.db2.gz JJCHOFIGKYBYPJ-AWEZNQCLSA-N 1 1 315.413 3.412 20 10 DGCDMO Cc1ncc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000738298301 574865097 /nfs/dbraw/zinc/86/50/97/574865097.db2.gz HYOTZNPMCGCXBY-UHFFFAOYSA-N 1 1 310.445 3.407 20 10 DGCDMO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000743393381 575049148 /nfs/dbraw/zinc/04/91/48/575049148.db2.gz POWXQBOPHKAMDT-HNNXBMFYSA-N 1 1 302.462 3.045 20 10 DGCDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000743393381 575049150 /nfs/dbraw/zinc/04/91/50/575049150.db2.gz POWXQBOPHKAMDT-HNNXBMFYSA-N 1 1 302.462 3.045 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000743406682 575049920 /nfs/dbraw/zinc/04/99/20/575049920.db2.gz YOJVONDXJNVEMV-UHFFFAOYSA-N 1 1 319.445 3.398 20 10 DGCDMO CC(C)OC(=O)CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000743841729 575064881 /nfs/dbraw/zinc/06/48/81/575064881.db2.gz UCVQRHQSPYTROH-UHFFFAOYSA-N 1 1 304.434 3.059 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCOC3)C1)CCC2 ZINC000747830251 575545092 /nfs/dbraw/zinc/54/50/92/575545092.db2.gz LQOYOAPASUBCRM-SJORKVTESA-N 1 1 301.430 3.129 20 10 DGCDMO CC(=O)c1cc(Cl)cc(CN2CCC[N@H+](C(C)C)CC2)c1O ZINC000750043026 575700000 /nfs/dbraw/zinc/70/00/00/575700000.db2.gz CGGQENXYHMCHFN-UHFFFAOYSA-N 1 1 324.852 3.164 20 10 DGCDMO CC(C)[N@H+]1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000727823458 576147499 /nfs/dbraw/zinc/14/74/99/576147499.db2.gz JEMBLNOBBMMOFZ-UHFFFAOYSA-N 1 1 320.477 3.311 20 10 DGCDMO COc1ccc(N2CCC([NH2+][C@H](C)c3cn[nH]c3C)CC2)cc1 ZINC000154146588 620643384 /nfs/dbraw/zinc/64/33/84/620643384.db2.gz LKXOGVGNDSYQDP-CYBMUJFWSA-N 1 1 314.433 3.046 20 10 DGCDMO CN(C)c1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000853093593 620667989 /nfs/dbraw/zinc/66/79/89/620667989.db2.gz ORMKFUFZSUYROP-KRWDZBQOSA-N 1 1 319.468 3.103 20 10 DGCDMO CN(C)c1ccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000853093593 620667992 /nfs/dbraw/zinc/66/79/92/620667992.db2.gz ORMKFUFZSUYROP-KRWDZBQOSA-N 1 1 319.468 3.103 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c(O)c(C(C)(C)C)c1 ZINC000853565086 620710148 /nfs/dbraw/zinc/71/01/48/620710148.db2.gz AFJLZWOLGJGARC-BEFAXECRSA-N 1 1 303.446 3.466 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCCC[C@H]1CC1CCC1)[C@@H](O)CO2 ZINC000853607796 620715986 /nfs/dbraw/zinc/71/59/86/620715986.db2.gz VXOSWQMKGYYXAY-YJBOKZPZSA-N 1 1 317.429 3.363 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1CC1CCC1)[C@@H](O)CO2 ZINC000853607795 620716033 /nfs/dbraw/zinc/71/60/33/620716033.db2.gz VXOSWQMKGYYXAY-QAPCUYQASA-N 1 1 317.429 3.363 20 10 DGCDMO O=C(NCc1cccc(Cl)c1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000890759472 617656410 /nfs/dbraw/zinc/65/64/10/617656410.db2.gz CWCHRVJAXHDPRU-OAHLLOKOSA-N 1 1 322.836 3.069 20 10 DGCDMO CCn1cc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)c(C)n1 ZINC000891435671 617798777 /nfs/dbraw/zinc/79/87/77/617798777.db2.gz FYQCXWCDOGBGKN-UHFFFAOYSA-N 1 1 300.450 3.300 20 10 DGCDMO CCC[N@H+](Cc1ccc(OC)c(OC)c1O)C[C@@H]1CCCCO1 ZINC000891944111 617930622 /nfs/dbraw/zinc/93/06/22/617930622.db2.gz YJQFFTCIHFLEKD-HNNXBMFYSA-N 1 1 323.433 3.191 20 10 DGCDMO COc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c(O)c1OC ZINC000892105910 617963478 /nfs/dbraw/zinc/96/34/78/617963478.db2.gz QZUCRYBTLVLCEL-UHFFFAOYSA-N 1 1 317.307 3.104 20 10 DGCDMO CCSCC[C@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000892204186 617983986 /nfs/dbraw/zinc/98/39/86/617983986.db2.gz WFXTZHGMTNGIPD-LBPRGKRZSA-N 1 1 313.463 3.373 20 10 DGCDMO COc1ccc(C[N@H+]2CCCC[C@@H](SC)C2)c(O)c1OC ZINC000892233412 617991616 /nfs/dbraw/zinc/99/16/16/617991616.db2.gz QMMDZSBRCKJWMQ-CYBMUJFWSA-N 1 1 311.447 3.127 20 10 DGCDMO COc1ccc(N2CC[C@H](N[C@@H]3C[C@@H]([NH3+])c4ccccc43)C2)cc1 ZINC000854217189 620785200 /nfs/dbraw/zinc/78/52/00/620785200.db2.gz KKDCPIPQSGMKDN-VHKYSDTDSA-N 1 1 323.440 3.008 20 10 DGCDMO Cc1ccc(O)c([C@@H](C)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000854223753 620785976 /nfs/dbraw/zinc/78/59/76/620785976.db2.gz VMWWGEYSUCXEEK-SZVBFZGTSA-N 1 1 310.441 3.497 20 10 DGCDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@H]1CCOC(C)(C)C1 ZINC000894535827 618374832 /nfs/dbraw/zinc/37/48/32/618374832.db2.gz OHQDVSSHOPLLJA-AWEZNQCLSA-N 1 1 323.433 3.189 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000894779606 618454857 /nfs/dbraw/zinc/45/48/57/618454857.db2.gz JOMOWKGADABWTD-QWHCGFSZSA-N 1 1 311.372 3.309 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000894779606 618454864 /nfs/dbraw/zinc/45/48/64/618454864.db2.gz JOMOWKGADABWTD-QWHCGFSZSA-N 1 1 311.372 3.309 20 10 DGCDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000840917999 618529830 /nfs/dbraw/zinc/52/98/30/618529830.db2.gz XTOUBNMTDXREJJ-QFBILLFUSA-N 1 1 303.494 3.223 20 10 DGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000840917999 618529833 /nfs/dbraw/zinc/52/98/33/618529833.db2.gz XTOUBNMTDXREJJ-QFBILLFUSA-N 1 1 303.494 3.223 20 10 DGCDMO COc1cc(C)cc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)c1O ZINC000895273194 618585682 /nfs/dbraw/zinc/58/56/82/618585682.db2.gz JBCFKWPTWYPBPM-INIZCTEOSA-N 1 1 318.461 3.206 20 10 DGCDMO COc1cc(C)cc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)c1O ZINC000895273194 618585685 /nfs/dbraw/zinc/58/56/85/618585685.db2.gz JBCFKWPTWYPBPM-INIZCTEOSA-N 1 1 318.461 3.206 20 10 DGCDMO CO[C@](C)([C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000840961309 618639181 /nfs/dbraw/zinc/63/91/81/618639181.db2.gz VBLOALCKTZHCMD-BJOHPYRUSA-N 1 1 301.789 3.478 20 10 DGCDMO CO[C@](C)([C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000840961315 618639399 /nfs/dbraw/zinc/63/93/99/618639399.db2.gz VBLOALCKTZHCMD-RFAUZJTJSA-N 1 1 301.789 3.478 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1 ZINC000840969420 618645068 /nfs/dbraw/zinc/64/50/68/618645068.db2.gz IVKUORAMVDKFOZ-QGZVFWFLSA-N 1 1 305.418 3.038 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2cc(C)cc(OC)c2O)cc1O ZINC000893972827 618685443 /nfs/dbraw/zinc/68/54/43/618685443.db2.gz FHCUFUKROMOXLU-UHFFFAOYSA-N 1 1 317.385 3.055 20 10 DGCDMO COc1cc(C)cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1O ZINC000894053765 618700456 /nfs/dbraw/zinc/70/04/56/618700456.db2.gz IMSITCGKNMAHTI-INIZCTEOSA-N 1 1 306.450 3.015 20 10 DGCDMO COc1cc(C)cc(CN(C)CC[C@@H]2CCCC[N@H+]2C)c1O ZINC000894053765 618700458 /nfs/dbraw/zinc/70/04/58/618700458.db2.gz IMSITCGKNMAHTI-INIZCTEOSA-N 1 1 306.450 3.015 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000894064268 618703099 /nfs/dbraw/zinc/70/30/99/618703099.db2.gz HMUXUEVYABQLSI-UHFFFAOYSA-N 1 1 311.372 3.309 20 10 DGCDMO COc1cc(C)cc(C[NH2+]Cc2csc([C@@H](C)OC)n2)c1O ZINC000894319784 618763619 /nfs/dbraw/zinc/76/36/19/618763619.db2.gz FOLOZELDPKXFTK-LLVKDONJSA-N 1 1 322.430 3.163 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1F ZINC000895582294 618804271 /nfs/dbraw/zinc/80/42/71/618804271.db2.gz KAWODSYELAAOOA-LLVKDONJSA-N 1 1 323.412 3.477 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1O ZINC000896226324 618888456 /nfs/dbraw/zinc/88/84/56/618888456.db2.gz DBVJXDZUWXIEAW-ZDUSSCGKSA-N 1 1 319.298 3.267 20 10 DGCDMO CCOc1cccc(C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)c1O ZINC000896456364 618916251 /nfs/dbraw/zinc/91/62/51/618916251.db2.gz UKMTYKGRTFXSIN-GFCCVEGCSA-N 1 1 321.364 3.271 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)c1O ZINC000896456364 618916252 /nfs/dbraw/zinc/91/62/52/618916252.db2.gz UKMTYKGRTFXSIN-GFCCVEGCSA-N 1 1 321.364 3.271 20 10 DGCDMO C[C@@H]([NH2+]Cc1c(O)cccc1F)[C@H]1COc2ccccc2C1 ZINC000896642930 618938058 /nfs/dbraw/zinc/93/80/58/618938058.db2.gz SJRRAFITFAELRT-TZMCWYRMSA-N 1 1 301.361 3.261 20 10 DGCDMO COc1ccc(CC[C@H](C)[NH2+]Cc2c(O)cccc2F)cc1O ZINC000896638786 618939908 /nfs/dbraw/zinc/93/99/08/618939908.db2.gz XCNKBDFVUYLRSD-LBPRGKRZSA-N 1 1 319.376 3.356 20 10 DGCDMO C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(Cl)cc1O ZINC000841746289 619136533 /nfs/dbraw/zinc/13/65/33/619136533.db2.gz XSDYRTXSMGFUAV-LBPRGKRZSA-N 1 1 310.825 3.099 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)cc1F ZINC000898070829 619212352 /nfs/dbraw/zinc/21/23/52/619212352.db2.gz ADLYSLSKUAMMLT-CQSZACIVSA-N 1 1 319.449 3.413 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000898071738 619212992 /nfs/dbraw/zinc/21/29/92/619212992.db2.gz RDHMHEURMLZWDY-ZDUSSCGKSA-N 1 1 318.442 3.312 20 10 DGCDMO C[C@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccn1 ZINC000898449661 619276207 /nfs/dbraw/zinc/27/62/07/619276207.db2.gz IQJNPURZZTXIRE-HNAYVOBHSA-N 1 1 312.461 3.101 20 10 DGCDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3cc(C)cc(C)c3O)C2)n1 ZINC000902584565 619657463 /nfs/dbraw/zinc/65/74/63/619657463.db2.gz MXIVBNDBZQPPLB-HNNXBMFYSA-N 1 1 315.417 3.155 20 10 DGCDMO C[C@H]([NH2+]Cc1nc(CN(C)C)cs1)c1ccc(N(C)C)cc1 ZINC000903226667 619738224 /nfs/dbraw/zinc/73/82/24/619738224.db2.gz PDSKGPFKWXSXJE-ZDUSSCGKSA-N 1 1 318.490 3.122 20 10 DGCDMO Cc1cc(CO)cc(C)c1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000903303022 619753924 /nfs/dbraw/zinc/75/39/24/619753924.db2.gz JDQYDZOPZQPUKT-CYBMUJFWSA-N 1 1 303.377 3.491 20 10 DGCDMO C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1ccc(F)cc1O ZINC000903307758 619756813 /nfs/dbraw/zinc/75/68/13/619756813.db2.gz FANQGEYSOALKET-PIGZYNQJSA-N 1 1 307.340 3.229 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1cc(F)ccc1O ZINC000903340786 619760642 /nfs/dbraw/zinc/76/06/42/619760642.db2.gz JPHGQIXGUZOURO-MRVPVSSYSA-N 1 1 317.286 3.134 20 10 DGCDMO C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1cc(F)cc(F)c1O ZINC000903364366 619765975 /nfs/dbraw/zinc/76/59/75/619765975.db2.gz XQFSKIUUMPBKKP-OHUAYANFSA-N 1 1 309.356 3.280 20 10 DGCDMO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cncs1 ZINC000903448420 619778567 /nfs/dbraw/zinc/77/85/67/619778567.db2.gz PBCDBRIQPWCAFZ-CZUORRHYSA-N 1 1 318.490 3.163 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2COC(C)(C)C)cc1OC ZINC000905725165 620022103 /nfs/dbraw/zinc/02/21/03/620022103.db2.gz PPXWTWCUSINFFP-CQSZACIVSA-N 1 1 323.433 3.189 20 10 DGCDMO COc1cc(C[N@H+]2CCO[C@@H](C)CC2)c(O)c(C(C)(C)C)c1 ZINC000905740813 620025009 /nfs/dbraw/zinc/02/50/09/620025009.db2.gz UVSULIPPFLRORZ-ZDUSSCGKSA-N 1 1 307.434 3.309 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCn4cccc4C3)c2c1 ZINC000905744404 620025555 /nfs/dbraw/zinc/02/55/55/620025555.db2.gz GUBTWBXUBNCOHJ-UHFFFAOYSA-N 1 1 308.381 3.371 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000841089398 620253891 /nfs/dbraw/zinc/25/38/91/620253891.db2.gz MKODREVFMOAZSR-MRXNPFEDSA-N 1 1 319.468 3.436 20 10 DGCDMO COCC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)CC(C)C ZINC000914783519 620553848 /nfs/dbraw/zinc/55/38/48/620553848.db2.gz NFLIRZMKQOAMIN-UHFFFAOYSA-N 1 1 309.450 3.500 20 10 DGCDMO COc1cccc(C[N@@H+](C)Cc2cc(C)cc(OC)c2O)c1 ZINC000915803874 620598196 /nfs/dbraw/zinc/59/81/96/620598196.db2.gz LLYSFAWHVXXFAT-UHFFFAOYSA-N 1 1 301.386 3.350 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](C)CC(=O)Nc2cccc(F)c2)cc1C ZINC000915825525 620599930 /nfs/dbraw/zinc/59/99/30/620599930.db2.gz ZWDNHALAGUJIJT-UHFFFAOYSA-N 1 1 316.376 3.219 20 10 DGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1cc(Cl)cn1 ZINC000921186926 620841916 /nfs/dbraw/zinc/84/19/16/620841916.db2.gz VHUHBKICPIYATD-UHFFFAOYSA-N 1 1 306.841 3.471 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cn1cc(Cl)cn1 ZINC000921186926 620841920 /nfs/dbraw/zinc/84/19/20/620841920.db2.gz VHUHBKICPIYATD-UHFFFAOYSA-N 1 1 306.841 3.471 20 10 DGCDMO C[C@@H]([NH2+]CCc1cn(C)cn1)c1cc(Cl)c(Cl)cc1O ZINC000840766489 620885603 /nfs/dbraw/zinc/88/56/03/620885603.db2.gz NNIIAFYAVIKEPB-SECBINFHSA-N 1 1 314.216 3.326 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cn(C)nc2Cl)cc1 ZINC000856765727 621017136 /nfs/dbraw/zinc/01/71/36/621017136.db2.gz LJJVLUKGQMOWFW-UHFFFAOYSA-N 1 1 306.841 3.210 20 10 DGCDMO CN(C)c1ccc(/C=C/CNCc2cc(N(C)C)cc[nH+]2)cc1 ZINC000922479925 621044167 /nfs/dbraw/zinc/04/41/67/621044167.db2.gz SRXOECQDNQAJOT-AATRIKPKSA-N 1 1 310.445 3.017 20 10 DGCDMO CCOc1ccc(O)c(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c1 ZINC000922527440 621051250 /nfs/dbraw/zinc/05/12/50/621051250.db2.gz ZNCVLKMAFGYGQI-QAPCUYQASA-N 1 1 317.360 3.352 20 10 DGCDMO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)c2cn(C)nn2)cc1 ZINC000922636925 621071382 /nfs/dbraw/zinc/07/13/82/621071382.db2.gz WHLCFLATJMLZJV-HNNXBMFYSA-N 1 1 315.465 3.292 20 10 DGCDMO C[C@]1(C[NH2+]Cc2cccc(Br)c2O)CCCCO1 ZINC000922816310 621104638 /nfs/dbraw/zinc/10/46/38/621104638.db2.gz IKEULIXCQTYASH-CQSZACIVSA-N 1 1 314.223 3.204 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000922895687 621125390 /nfs/dbraw/zinc/12/53/90/621125390.db2.gz GEHDRYDLITXXTB-BDJLRTHQSA-N 1 1 313.800 3.480 20 10 DGCDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C2)nc1 ZINC000858010831 621144156 /nfs/dbraw/zinc/14/41/56/621144156.db2.gz GYRAUDIOFYSEJL-CYBMUJFWSA-N 1 1 318.804 3.402 20 10 DGCDMO C[C@@]1([NH2+]Cc2cc(F)cc(F)c2O)CCOc2ccccc21 ZINC000923023760 621148410 /nfs/dbraw/zinc/14/84/10/621148410.db2.gz CNMUFGFMPUJLOW-QGZVFWFLSA-N 1 1 305.324 3.458 20 10 DGCDMO C[C@H](O)[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC000858196410 621163721 /nfs/dbraw/zinc/16/37/21/621163721.db2.gz ONZMSEZBEAPGAT-KPZWWZAWSA-N 1 1 320.383 3.243 20 10 DGCDMO C[C@@H](O)[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC000858196411 621163766 /nfs/dbraw/zinc/16/37/66/621163766.db2.gz ONZMSEZBEAPGAT-KZULUSFZSA-N 1 1 320.383 3.243 20 10 DGCDMO CCC1(C)C[NH+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000839142529 621341090 /nfs/dbraw/zinc/34/10/90/621341090.db2.gz IDQGTRMVNPMRCB-UHFFFAOYSA-N 1 1 314.223 3.395 20 10 DGCDMO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000839193935 621347585 /nfs/dbraw/zinc/34/75/85/621347585.db2.gz ZRWACEWBZADLJR-SUMWQHHRSA-N 1 1 309.837 3.419 20 10 DGCDMO C[N@@H+](CCC1(O)CCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000839459662 621378822 /nfs/dbraw/zinc/37/88/22/621378822.db2.gz PRYZTTWVTULKEV-UHFFFAOYSA-N 1 1 302.462 3.414 20 10 DGCDMO CC[N@@H+](CCCO)Cc1ccc(OCc2ccccc2)cc1O ZINC000753544853 621447327 /nfs/dbraw/zinc/44/73/27/621447327.db2.gz QJNUSYBCADNRSL-UHFFFAOYSA-N 1 1 315.413 3.176 20 10 DGCDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000753588990 621451843 /nfs/dbraw/zinc/45/18/43/621451843.db2.gz HDNVJXCZDXMJQW-QGZVFWFLSA-N 1 1 302.462 3.391 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000753589603 621452304 /nfs/dbraw/zinc/45/23/04/621452304.db2.gz KFQXQKVDLPTODP-HNNXBMFYSA-N 1 1 317.360 3.193 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c1O ZINC000754566975 621517316 /nfs/dbraw/zinc/51/73/16/621517316.db2.gz NCWLZBDHPMJWMW-CMPLNLGQSA-N 1 1 311.809 3.153 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](C3CCOCC3)C1)CCC2 ZINC000754786433 621532556 /nfs/dbraw/zinc/53/25/56/621532556.db2.gz UYSDCPMGYNBNAP-QGZVFWFLSA-N 1 1 301.430 3.129 20 10 DGCDMO CCC[N@@H+](Cc1c(O)cccc1Br)CC(C)(C)O ZINC000862239092 621565319 /nfs/dbraw/zinc/56/53/19/621565319.db2.gz VCFSMNQRTDAHTH-UHFFFAOYSA-N 1 1 316.239 3.138 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+](C)CCc2ccccn2)cc1F ZINC000862322510 621574334 /nfs/dbraw/zinc/57/43/34/621574334.db2.gz MNRHOGXTYHVKTA-UHFFFAOYSA-N 1 1 305.372 3.100 20 10 DGCDMO C[C@H]1CCSCC[N@H+]1Cc1c(O)cccc1Br ZINC000862343447 621575788 /nfs/dbraw/zinc/57/57/88/621575788.db2.gz NVZXPYREQGTBBX-JTQLQIEISA-N 1 1 316.264 3.482 20 10 DGCDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862351268 621576549 /nfs/dbraw/zinc/57/65/49/621576549.db2.gz IMFUKWUTISDDPL-JSGCOSHPSA-N 1 1 312.404 3.156 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862483605 621593970 /nfs/dbraw/zinc/59/39/70/621593970.db2.gz VGRCYZSFTILKAB-SFHVURJKSA-N 1 1 301.361 3.015 20 10 DGCDMO CCOc1cccc(C[N@@H+]2CCOc3cc(F)ccc3C2)c1O ZINC000862551718 621600877 /nfs/dbraw/zinc/60/08/77/621600877.db2.gz YDYGOXUAXDMFOT-UHFFFAOYSA-N 1 1 317.360 3.325 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCOc3cc(F)ccc3C2)c1O ZINC000862551718 621600878 /nfs/dbraw/zinc/60/08/78/621600878.db2.gz YDYGOXUAXDMFOT-UHFFFAOYSA-N 1 1 317.360 3.325 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCc3cc(F)ccc3C2)c1O ZINC000119071944 621613298 /nfs/dbraw/zinc/61/32/98/621613298.db2.gz GSSIKZGCHFGIGW-UHFFFAOYSA-N 1 1 301.361 3.407 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)c1O ZINC000756138073 621617929 /nfs/dbraw/zinc/61/79/29/621617929.db2.gz NQKICHXSPIQLTH-UHFFFAOYSA-N 1 1 304.777 3.013 20 10 DGCDMO C[C@@H]([NH2+]CCN1CCc2ccccc21)c1ccc(F)cc1O ZINC000756484331 621641135 /nfs/dbraw/zinc/64/11/35/621641135.db2.gz TZWPYFPAAZLRNS-CYBMUJFWSA-N 1 1 300.377 3.245 20 10 DGCDMO C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc(F)cc1O ZINC000756481331 621641147 /nfs/dbraw/zinc/64/11/47/621641147.db2.gz WWCJZRQUCUKTEM-CYBMUJFWSA-N 1 1 300.377 3.198 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2Cc3ccccc32)c1 ZINC000756535844 621645914 /nfs/dbraw/zinc/64/59/14/621645914.db2.gz RUDPWPCKIPNHIK-IUODEOHRSA-N 1 1 311.381 3.169 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2c(C)noc2C)c1 ZINC000756576262 621650636 /nfs/dbraw/zinc/65/06/36/621650636.db2.gz ZBFCJGRSNYNDEM-NXEZZACHSA-N 1 1 318.373 3.195 20 10 DGCDMO CCCC(O)(CCC)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756591421 621651704 /nfs/dbraw/zinc/65/17/04/621651704.db2.gz GKPLLZLRQXJSQR-ZDUSSCGKSA-N 1 1 323.433 3.161 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC(F)(F)F)c1 ZINC000756624055 621653118 /nfs/dbraw/zinc/65/31/18/621653118.db2.gz DELXTESGZAAEER-SECBINFHSA-N 1 1 305.296 3.172 20 10 DGCDMO CC[C@@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)C1CCOCC1 ZINC000756628515 621654222 /nfs/dbraw/zinc/65/42/22/621654222.db2.gz NKSOGWOSFKRRDD-MLGOLLRUSA-N 1 1 321.417 3.035 20 10 DGCDMO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756637815 621654621 /nfs/dbraw/zinc/65/46/21/621654621.db2.gz PJSSTSIKPQTGRW-XJKSGUPXSA-N 1 1 303.377 3.440 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC(F)(F)C2)c1 ZINC000756764353 621662634 /nfs/dbraw/zinc/66/26/34/621662634.db2.gz HATXSAUPVMBEHE-CMPLNLGQSA-N 1 1 313.344 3.407 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@H](CCF)C3)c2c1 ZINC000863318198 621663034 /nfs/dbraw/zinc/66/30/34/621663034.db2.gz UMGYROIYLBURMH-OAHLLOKOSA-N 1 1 319.376 3.114 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000756845345 621668095 /nfs/dbraw/zinc/66/80/95/621668095.db2.gz UBNCTLCQNSGEFS-PIISCBOPSA-N 1 1 303.402 3.408 20 10 DGCDMO CCOc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)c(O)c1 ZINC000758497959 621785361 /nfs/dbraw/zinc/78/53/61/621785361.db2.gz VCZMQWFHWDXJPT-UHFFFAOYSA-N 1 1 321.446 3.230 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CCC34CCCC4)cc2)CC1 ZINC000758592076 621790697 /nfs/dbraw/zinc/79/06/97/621790697.db2.gz FDALPJOQOZYHKV-IBGZPJMESA-N 1 1 313.489 3.251 20 10 DGCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759852589 621897373 /nfs/dbraw/zinc/89/73/73/621897373.db2.gz OWZPEAPXGDKSHX-INIZCTEOSA-N 1 1 309.768 3.350 20 10 DGCDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000789587534 625530140 /nfs/dbraw/zinc/53/01/40/625530140.db2.gz YOYKHIJIIGMRQA-IXDOHACOSA-N 1 1 302.462 3.390 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[C@@H]2CCCCO2)c1 ZINC000760905148 621973602 /nfs/dbraw/zinc/97/36/02/621973602.db2.gz JLDBPUYBUZAUDC-HIFRSBDPSA-N 1 1 321.417 3.179 20 10 DGCDMO COC(=O)c1cc(C[N@@H+](C)Cc2cc(C)cc(C)c2O)oc1C ZINC000120830796 622025060 /nfs/dbraw/zinc/02/50/60/622025060.db2.gz OWBXZYUVXAWOHG-UHFFFAOYSA-N 1 1 317.385 3.329 20 10 DGCDMO C/C=C(\C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761980983 622043294 /nfs/dbraw/zinc/04/32/94/622043294.db2.gz LTFLWNMWOCKMSX-COHQTCMYSA-N 1 1 322.836 3.092 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1ccc(F)cc1O ZINC000866427307 622116753 /nfs/dbraw/zinc/11/67/53/622116753.db2.gz KAQTZHVDIZMTEK-SWLSCSKDSA-N 1 1 311.397 3.361 20 10 DGCDMO C[C@@H]1[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCOC1(C)C ZINC000763209998 622130611 /nfs/dbraw/zinc/13/06/11/622130611.db2.gz FSNZQSQDXVYJCZ-LBPRGKRZSA-N 1 1 307.434 3.395 20 10 DGCDMO CC[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(F)cc1O ZINC000866567147 622140064 /nfs/dbraw/zinc/14/00/64/622140064.db2.gz JUAUYDSQPPRVTJ-GFCCVEGCSA-N 1 1 313.323 3.443 20 10 DGCDMO C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000763613051 622155108 /nfs/dbraw/zinc/15/51/08/622155108.db2.gz JNHMNWZASQGVPY-CYBMUJFWSA-N 1 1 300.805 3.101 20 10 DGCDMO C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000763613051 622155109 /nfs/dbraw/zinc/15/51/09/622155109.db2.gz JNHMNWZASQGVPY-CYBMUJFWSA-N 1 1 300.805 3.101 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000764141319 622181941 /nfs/dbraw/zinc/18/19/41/622181941.db2.gz YRZZAZILOQGHNW-GOSISDBHSA-N 1 1 318.461 3.450 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000764141319 622181944 /nfs/dbraw/zinc/18/19/44/622181944.db2.gz YRZZAZILOQGHNW-GOSISDBHSA-N 1 1 318.461 3.450 20 10 DGCDMO CCN(C)c1ccc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000764966010 622236546 /nfs/dbraw/zinc/23/65/46/622236546.db2.gz WXRFIIRMTLKWMR-SNRMKQJTSA-N 1 1 301.478 3.420 20 10 DGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000764966010 622236547 /nfs/dbraw/zinc/23/65/47/622236547.db2.gz WXRFIIRMTLKWMR-SNRMKQJTSA-N 1 1 301.478 3.420 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ccc(N2CCN(CC)CC2)c(F)c1)C1CC1 ZINC000765849727 622291362 /nfs/dbraw/zinc/29/13/62/622291362.db2.gz PEHCEDJOVGTEJW-GOSISDBHSA-N 1 1 319.468 3.246 20 10 DGCDMO CC(C)[N@H+](CC[C@@H]1CCCN1C)Cc1ccc(N(C)C)cc1 ZINC000767349425 622391923 /nfs/dbraw/zinc/39/19/23/622391923.db2.gz SZSTUBPYMQGPPZ-IBGZPJMESA-N 1 1 303.494 3.447 20 10 DGCDMO CC(C)[N@@H+](CC[C@@H]1CCCN1C)Cc1ccc(N(C)C)cc1 ZINC000767349425 622391925 /nfs/dbraw/zinc/39/19/25/622391925.db2.gz SZSTUBPYMQGPPZ-IBGZPJMESA-N 1 1 303.494 3.447 20 10 DGCDMO Cc1cnc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000122839885 622415662 /nfs/dbraw/zinc/41/56/62/622415662.db2.gz AKVBTZXUSLLNIN-CQSZACIVSA-N 1 1 317.458 3.139 20 10 DGCDMO CCOC(C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C)OCC ZINC000767759845 622420798 /nfs/dbraw/zinc/42/07/98/622420798.db2.gz VIQPODANCCIBKE-UHFFFAOYSA-N 1 1 308.466 3.362 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cscn1 ZINC000768099065 622438346 /nfs/dbraw/zinc/43/83/46/622438346.db2.gz WBHJMZQVYZHAHM-UONOGXRCSA-N 1 1 317.458 3.392 20 10 DGCDMO COCC[N@@H+](Cc1cccs1)Cc1cccc(OC)c1O ZINC000768197600 622444739 /nfs/dbraw/zinc/44/47/39/622444739.db2.gz KYYPIZAGNSNCJP-UHFFFAOYSA-N 1 1 307.415 3.111 20 10 DGCDMO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000768232117 622446638 /nfs/dbraw/zinc/44/66/38/622446638.db2.gz YDYNPANDMUOBQV-KRWDZBQOSA-N 1 1 311.381 3.197 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccsc1)[C@H](O)CO2 ZINC000768439701 622456142 /nfs/dbraw/zinc/45/61/42/622456142.db2.gz MRXKUCYNPBEAKL-GDBMZVCRSA-N 1 1 317.410 3.217 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@]3(CC=CCC3)C1)[C@H](O)CO2 ZINC000768445667 622456934 /nfs/dbraw/zinc/45/69/34/622456934.db2.gz GKKVGTDVYQQPGM-IEBWSBKVSA-N 1 1 315.413 3.140 20 10 DGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(OC)c(C)cc2O)C12CCC2 ZINC000768461931 622457653 /nfs/dbraw/zinc/45/76/53/622457653.db2.gz HQVFRXNYLMAXRV-QZTJIDSGSA-N 1 1 319.445 3.489 20 10 DGCDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464131 622458194 /nfs/dbraw/zinc/45/81/94/622458194.db2.gz ZYSOYWKFQHXDMQ-YLQAJVPDSA-N 1 1 305.418 3.219 20 10 DGCDMO CC(C)C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768463347 622458229 /nfs/dbraw/zinc/45/82/29/622458229.db2.gz HJJUMHVQEPPADC-CXAGYDPISA-N 1 1 305.418 3.076 20 10 DGCDMO CCC[C@@]1(C)CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768466504 622458715 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624023913 /nfs/dbraw/zinc/02/39/13/624023913.db2.gz BYRKUOZDHYDAKL-CQSZACIVSA-N 1 1 323.339 3.349 20 10 DGCDMO CC[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cc(Cl)ccc1O ZINC000790755324 625692901 /nfs/dbraw/zinc/69/29/01/625692901.db2.gz MVBJCIOZTYNOHA-TVQRCGJNSA-N 1 1 321.812 3.169 20 10 DGCDMO COC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000877818027 624049498 /nfs/dbraw/zinc/04/94/98/624049498.db2.gz CMYAJLMFJWJNDZ-HNNXBMFYSA-N 1 1 305.418 3.174 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@@H](C(F)(F)F)O1 ZINC000877824301 624056777 /nfs/dbraw/zinc/05/67/77/624056777.db2.gz QZMCXEYPRADATI-RNCFNFMXSA-N 1 1 307.287 3.073 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@H](C(C)(C)O)C2)c(O)c(C(C)(C)C)c1 ZINC000877836834 624064885 /nfs/dbraw/zinc/06/48/85/624064885.db2.gz MRFIFWZIAQYRLV-AWEZNQCLSA-N 1 1 321.461 3.291 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](C[C@@H]3CC(C)(C)CO3)CC2)cc1 ZINC000877983124 624124200 /nfs/dbraw/zinc/12/42/00/624124200.db2.gz GPNPKVVISJUUGF-SFHVURJKSA-N 1 1 318.461 3.022 20 10 DGCDMO C[C@@H]1OCC[C@H]1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000878240774 624224135 /nfs/dbraw/zinc/22/41/35/624224135.db2.gz KUELRRIMHBBOSV-GJZGRUSLSA-N 1 1 301.386 3.412 20 10 DGCDMO C[N@@H+](Cc1cncn1Cc1ccccc1)Cc1ccccc1O ZINC000782513502 624258145 /nfs/dbraw/zinc/25/81/45/624258145.db2.gz RFVSFYCJVLJGNT-UHFFFAOYSA-N 1 1 307.397 3.269 20 10 DGCDMO CC(C)C(C)(C)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000782534437 624261150 /nfs/dbraw/zinc/26/11/50/624261150.db2.gz CYCIGDBAPMIRBN-UHFFFAOYSA-N 1 1 303.494 3.210 20 10 DGCDMO Cc1nc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)cs1 ZINC000790950245 625720087 /nfs/dbraw/zinc/72/00/87/625720087.db2.gz NQRMWPHCJLEYJS-UHFFFAOYSA-N 1 1 300.786 3.282 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1O ZINC000805746602 624357910 /nfs/dbraw/zinc/35/79/10/624357910.db2.gz CCMNHHIICUMWSU-QGZVFWFLSA-N 1 1 314.360 3.466 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1O ZINC000805746602 624357911 /nfs/dbraw/zinc/35/79/11/624357911.db2.gz CCMNHHIICUMWSU-QGZVFWFLSA-N 1 1 314.360 3.466 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC=C(c3cnn(C)c3)C2)cc1 ZINC000878908927 624386310 /nfs/dbraw/zinc/38/63/10/624386310.db2.gz ZGDIKOMYRSTYJO-UHFFFAOYSA-N 1 1 310.445 3.166 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCc3ccc(OC)cc3CC2)c1 ZINC000784679561 624569876 /nfs/dbraw/zinc/56/98/76/624569876.db2.gz KYVYYHOMJNFFFZ-UHFFFAOYSA-N 1 1 313.397 3.010 20 10 DGCDMO C[C@@H](C[N@@H+](C)Cc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C ZINC000785438762 624666152 /nfs/dbraw/zinc/66/61/52/624666152.db2.gz IPRPJABADMFQHJ-AWEZNQCLSA-N 1 1 321.465 3.098 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1O ZINC000785990240 624775347 /nfs/dbraw/zinc/77/53/47/624775347.db2.gz ZXSUXVHEJCUVAE-MISXGVKJSA-N 1 1 313.825 3.036 20 10 DGCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)[C@H]1C ZINC000787245144 624991493 /nfs/dbraw/zinc/99/14/93/624991493.db2.gz ZWOMSXYIKWKIQS-DZGCQCFKSA-N 1 1 305.418 3.207 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C(=O)OC)[C@H]2C)cc1F ZINC000787420454 625008564 /nfs/dbraw/zinc/00/85/64/625008564.db2.gz HGQURIYVOLZGKA-UKRRQHHQSA-N 1 1 322.424 3.055 20 10 DGCDMO C[C@H]([NH2+]CC1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000788586230 625221545 /nfs/dbraw/zinc/22/15/45/625221545.db2.gz ZPGJVKWKKULCBN-JTQLQIEISA-N 1 1 303.324 3.488 20 10 DGCDMO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1O ZINC000788764298 625261263 /nfs/dbraw/zinc/26/12/63/625261263.db2.gz LYFYOKCYXBNCON-ICCXJUOJSA-N 1 1 303.324 3.365 20 10 DGCDMO C[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)N1CCC[C@@H](C)C1 ZINC000790948019 625720255 /nfs/dbraw/zinc/72/02/55/625720255.db2.gz CXXROVPITFBOCN-VXGBXAGGSA-N 1 1 314.832 3.395 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1COc2ccccc2C1 ZINC000790962762 625723021 /nfs/dbraw/zinc/72/30/21/625723021.db2.gz RDLSUDNSBOXDHB-NSHDSACASA-N 1 1 307.752 3.278 20 10 DGCDMO CC[N@H+]1CCC[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790961958 625723755 /nfs/dbraw/zinc/72/37/55/625723755.db2.gz FTCQARUBTIVHIR-LLVKDONJSA-N 1 1 300.805 3.006 20 10 DGCDMO COc1ccc(CC[NH2+]Cc2cc(F)cc(F)c2O)cc1OC ZINC000882877432 625841003 /nfs/dbraw/zinc/84/10/03/625841003.db2.gz PHWBMBHVQXYZED-UHFFFAOYSA-N 1 1 323.339 3.020 20 10 DGCDMO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1cc(F)cc(F)c1O ZINC000883018677 625898478 /nfs/dbraw/zinc/89/84/78/625898478.db2.gz LMPYUHSXKYFCKY-OAHLLOKOSA-N 1 1 321.323 3.292 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000883074700 625916962 /nfs/dbraw/zinc/91/69/62/625916962.db2.gz GMZAGFZVIYEIGY-KRWDZBQOSA-N 1 1 319.351 3.274 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000883076299 625917524 /nfs/dbraw/zinc/91/75/24/625917524.db2.gz ZJFLPMLJBJPHRV-DAXOMENPSA-N 1 1 309.356 3.108 20 10 DGCDMO C[C@@](O)(CC[NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000883093734 625925377 /nfs/dbraw/zinc/92/53/77/625925377.db2.gz FQONXOBTYJVRAF-QGZVFWFLSA-N 1 1 307.340 3.058 20 10 DGCDMO CC(C)CC[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000796448945 626050810 /nfs/dbraw/zinc/05/08/10/626050810.db2.gz KVEONPYLSXVPHK-MSOLQXFVSA-N 1 1 321.461 3.170 20 10 DGCDMO CC[C@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(F)cc1O ZINC000796685641 626073135 /nfs/dbraw/zinc/07/31/35/626073135.db2.gz ZPTCEYWLWBCRNJ-INIZCTEOSA-N 1 1 305.397 3.165 20 10 DGCDMO CC[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(F)cc1O ZINC000796704157 626075079 /nfs/dbraw/zinc/07/50/79/626075079.db2.gz XKFXLMYXBSCMFZ-QAPCUYQASA-N 1 1 317.404 3.423 20 10 DGCDMO CN1CC[C@H]([NH2+]CCCSc2nccs2)[C@@H]2CCC[C@@H]21 ZINC000796772780 626080862 /nfs/dbraw/zinc/08/08/62/626080862.db2.gz VUMDGBSGUJPVKT-IHRRRGAJSA-N 1 1 311.520 3.088 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000796772263 626081151 /nfs/dbraw/zinc/08/11/51/626081151.db2.gz PQWIAKNWJBEUHB-IPMKNSEASA-N 1 1 301.478 3.023 20 10 DGCDMO CC[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(F)cc1O ZINC000796790820 626083439 /nfs/dbraw/zinc/08/34/39/626083439.db2.gz WABREGQLBSQYHV-HOCLYGCPSA-N 1 1 312.454 3.009 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000797418760 626141442 /nfs/dbraw/zinc/14/14/42/626141442.db2.gz VQGYCCGUBOSNMC-TXPKVOOTSA-N 1 1 319.445 3.167 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cccc(C(F)(F)F)c1O ZINC000798179479 626200025 /nfs/dbraw/zinc/20/00/25/626200025.db2.gz BTFYNIANOTZDLD-JOYOIKCWSA-N 1 1 315.291 3.388 20 10 DGCDMO C[C@H](CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)[S@@](C)=O ZINC000798181488 626200593 /nfs/dbraw/zinc/20/05/93/626200593.db2.gz KPLBNRJYKBVIFH-QONUSYMYSA-N 1 1 323.380 3.219 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CCC=C(Br)C2)c1O ZINC000799574385 626310951 /nfs/dbraw/zinc/31/09/51/626310951.db2.gz LMPGMPWCPFYUAI-UHFFFAOYSA-N 1 1 312.207 3.194 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC=C(Br)C2)c1O ZINC000799574385 626310953 /nfs/dbraw/zinc/31/09/53/626310953.db2.gz LMPGMPWCPFYUAI-UHFFFAOYSA-N 1 1 312.207 3.194 20 10 DGCDMO C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1ccc(F)cc1O ZINC000799729387 626325310 /nfs/dbraw/zinc/32/53/10/626325310.db2.gz LILUGKGEVVGEHF-CZUORRHYSA-N 1 1 303.377 3.176 20 10 DGCDMO FC(F)O[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000802658823 626565926 /nfs/dbraw/zinc/56/59/26/626565926.db2.gz RDCOUYSNNRFHAQ-INIZCTEOSA-N 1 1 310.388 3.490 20 10 DGCDMO C[N@@H+](Cc1cccc(Br)c1O)C[C@@H]1CCCCO1 ZINC000132601529 626729265 /nfs/dbraw/zinc/72/92/65/626729265.db2.gz QXXRHMDKJJVMNO-LBPRGKRZSA-N 1 1 314.223 3.156 20 10 DGCDMO C[N@H+](Cc1cccc(Br)c1O)C[C@@H]1CCCCO1 ZINC000132601529 626729269 /nfs/dbraw/zinc/72/92/69/626729269.db2.gz QXXRHMDKJJVMNO-LBPRGKRZSA-N 1 1 314.223 3.156 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000840120450 626772235 /nfs/dbraw/zinc/77/22/35/626772235.db2.gz LLUDUPCSLAMMKR-ZTFGCOKTSA-N 1 1 312.413 3.066 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1C ZINC000808238903 626807900 /nfs/dbraw/zinc/80/79/00/626807900.db2.gz PPSLVLUPRHWTCO-UHFFFAOYSA-N 1 1 311.381 3.382 20 10 DGCDMO COc1cccc(O)c1C[NH2+][C@H](C)c1nccn1-c1ccccc1 ZINC000808428797 626823204 /nfs/dbraw/zinc/82/32/04/626823204.db2.gz PRQORTZVMAWAFZ-CQSZACIVSA-N 1 1 323.396 3.437 20 10 DGCDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H](O)c1ccccc1 ZINC000808444724 626825711 /nfs/dbraw/zinc/82/57/11/626825711.db2.gz JUOSUVGWJJIVJB-QFYYESIMSA-N 1 1 309.768 3.396 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C[C@@H](O)c2ccccc2)C2CC2)cc1 ZINC000134065875 626852930 /nfs/dbraw/zinc/85/29/30/626852930.db2.gz RFKRUBOQFCMALL-HXUWFJFHSA-N 1 1 310.441 3.451 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1C ZINC000134835048 626888735 /nfs/dbraw/zinc/88/87/35/626888735.db2.gz XUYOHLUAQUPIFE-CYBMUJFWSA-N 1 1 316.367 3.077 20 10 DGCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc(Cl)cc(C)c1O ZINC000809698528 626937876 /nfs/dbraw/zinc/93/78/76/626937876.db2.gz ZLHXRWJOPZGNSC-KWEIWBAHSA-N 1 1 307.821 3.209 20 10 DGCDMO CCC[N@@H+](CCN1CCCCC1)Cc1cc(OC)ccc1O ZINC000809705643 626939182 /nfs/dbraw/zinc/93/91/82/626939182.db2.gz YLZQOPWMUDOXNN-UHFFFAOYSA-N 1 1 306.450 3.099 20 10 DGCDMO CCCN(CC[NH+]1CCCCC1)Cc1cc(OC)ccc1O ZINC000809705643 626939183 /nfs/dbraw/zinc/93/91/83/626939183.db2.gz YLZQOPWMUDOXNN-UHFFFAOYSA-N 1 1 306.450 3.099 20 10 DGCDMO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)cc(F)c1O ZINC000809724019 626941970 /nfs/dbraw/zinc/94/19/70/626941970.db2.gz CUKNVMPEOPQTII-NHYWBVRUSA-N 1 1 312.816 3.243 20 10 DGCDMO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000809726867 626942337 /nfs/dbraw/zinc/94/23/37/626942337.db2.gz WOGOCWRJJIQKMH-OAHLLOKOSA-N 1 1 324.396 3.022 20 10 DGCDMO COCC[N@@H+](Cc1ccccn1)Cc1cc(Cl)ccc1O ZINC000809734559 626942999 /nfs/dbraw/zinc/94/29/99/626942999.db2.gz JLNQZSGXZPOHPZ-UHFFFAOYSA-N 1 1 306.793 3.089 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000809748613 626946219 /nfs/dbraw/zinc/94/62/19/626946219.db2.gz ADBYJRHOXXGUPD-HNNXBMFYSA-N 1 1 305.418 3.254 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000809748969 626946230 /nfs/dbraw/zinc/94/62/30/626946230.db2.gz AEQDAUIANCPQGT-AWEZNQCLSA-N 1 1 305.418 3.254 20 10 DGCDMO CCCn1ccnc1CCC[N@@H+](C)Cc1c(O)cccc1OC ZINC000809754790 626947734 /nfs/dbraw/zinc/94/77/34/626947734.db2.gz BBQITLAMURJWHC-UHFFFAOYSA-N 1 1 317.433 3.072 20 10 DGCDMO COc1ccc(N(CCC(C)C)C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000809999147 626967161 /nfs/dbraw/zinc/96/71/61/626967161.db2.gz CKFPLXYOCQHDMY-SFHVURJKSA-N 1 1 320.477 3.003 20 10 DGCDMO COCC[C@@H](COC)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000810258022 626993822 /nfs/dbraw/zinc/99/38/22/626993822.db2.gz XZXNVVJQFKYACQ-UWVGGRQHSA-N 1 1 322.232 3.401 20 10 DGCDMO CC[C@H](C[NH2+][C@H](C)c1cc(Br)c(F)cc1O)OC ZINC000810260730 626994662 /nfs/dbraw/zinc/99/46/62/626994662.db2.gz NMKOYKWIVSMHFN-RKDXNWHRSA-N 1 1 320.202 3.369 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@](C)(O)C(F)F ZINC000885940544 627065171 /nfs/dbraw/zinc/06/51/71/627065171.db2.gz MAZIUVFKHZZODO-QGZVFWFLSA-N 1 1 312.404 3.125 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1c(O)cccc1F ZINC000886506203 627154542 /nfs/dbraw/zinc/15/45/42/627154542.db2.gz GWLWJIHJLSOFNY-GHMZBOCLSA-N 1 1 320.330 3.066 20 10 DGCDMO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1c(O)cccc1F ZINC000886511324 627155186 /nfs/dbraw/zinc/15/51/86/627155186.db2.gz QKPLTMOLYRFULZ-DZGCQCFKSA-N 1 1 303.377 3.033 20 10 DGCDMO C[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1c(O)cccc1F ZINC000886521147 627156340 /nfs/dbraw/zinc/15/63/40/627156340.db2.gz VTUAAJVBBIKOSP-LLVKDONJSA-N 1 1 312.385 3.049 20 10 DGCDMO C[C@H]([NH2+]CCCOCC1CCOCC1)c1c(O)cccc1F ZINC000886530549 627157595 /nfs/dbraw/zinc/15/75/95/627157595.db2.gz MHFYNVBGUOXSLV-ZDUSSCGKSA-N 1 1 311.397 3.015 20 10 DGCDMO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1c(O)cccc1F ZINC000886547912 627160949 /nfs/dbraw/zinc/16/09/49/627160949.db2.gz UIEFAGBIXMSDHZ-NSHDSACASA-N 1 1 322.405 3.064 20 10 DGCDMO C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1F ZINC000886558620 627162755 /nfs/dbraw/zinc/16/27/55/627162755.db2.gz OSOWFXOSGXAFOA-LLVKDONJSA-N 1 1 324.396 3.049 20 10 DGCDMO COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886587937 627168506 /nfs/dbraw/zinc/16/85/06/627168506.db2.gz IMETYTWDLLCPTI-STQMWFEESA-N 1 1 307.365 3.423 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1c(O)cccc1F ZINC000886637609 627178125 /nfs/dbraw/zinc/17/81/25/627178125.db2.gz ASAZSCZOWCVIGZ-DUVNUKRYSA-N 1 1 317.408 3.327 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(O)c1 ZINC000811510348 627285016 /nfs/dbraw/zinc/28/50/16/627285016.db2.gz CWLZGXJRXRSPDZ-SJORKVTESA-N 1 1 305.418 3.180 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1F ZINC000811510698 627285056 /nfs/dbraw/zinc/28/50/56/627285056.db2.gz NDUZHVXQCAPQFU-IAGOWNOFSA-N 1 1 306.425 3.281 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1F ZINC000814178220 627547184 /nfs/dbraw/zinc/54/71/84/627547184.db2.gz HUURNVMDUGRNTM-INIZCTEOSA-N 1 1 306.425 3.140 20 10 DGCDMO COCC(C)(C)[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000814178168 627547515 /nfs/dbraw/zinc/54/75/15/627547515.db2.gz FFARGPWQCRIVOQ-UHFFFAOYSA-N 1 1 316.239 3.320 20 10 DGCDMO COCC(C)(C)[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000814178168 627547517 /nfs/dbraw/zinc/54/75/17/627547517.db2.gz FFARGPWQCRIVOQ-UHFFFAOYSA-N 1 1 316.239 3.320 20 10 DGCDMO COC(=O)CC[N@H+](Cc1ccc(N(C)C)c(C)c1)CC(C)C ZINC000815029080 627617736 /nfs/dbraw/zinc/61/77/36/627617736.db2.gz NEZCIKDKAQEVCB-UHFFFAOYSA-N 1 1 306.450 3.082 20 10 DGCDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N(C)C)c(C)c1 ZINC000815059836 627620607 /nfs/dbraw/zinc/62/06/07/627620607.db2.gz IBFDPUULYYSQCG-MSOLQXFVSA-N 1 1 301.478 3.120 20 10 DGCDMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(N(C)C)c(C)c1 ZINC000815059836 627620609 /nfs/dbraw/zinc/62/06/09/627620609.db2.gz IBFDPUULYYSQCG-MSOLQXFVSA-N 1 1 301.478 3.120 20 10 DGCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(N(C)C)c(C)c1 ZINC000815059836 627620611 /nfs/dbraw/zinc/62/06/11/627620611.db2.gz IBFDPUULYYSQCG-MSOLQXFVSA-N 1 1 301.478 3.120 20 10 DGCDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000815070934 627622342 /nfs/dbraw/zinc/62/23/42/627622342.db2.gz APJVSZIONUVRRC-LPHOPBHVSA-N 1 1 303.494 3.223 20 10 DGCDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000815070934 627622347 /nfs/dbraw/zinc/62/23/47/627622347.db2.gz APJVSZIONUVRRC-LPHOPBHVSA-N 1 1 303.494 3.223 20 10 DGCDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000815070934 627622348 /nfs/dbraw/zinc/62/23/48/627622348.db2.gz APJVSZIONUVRRC-LPHOPBHVSA-N 1 1 303.494 3.223 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCCC3)[C@@H]2C)cc1 ZINC000815118166 627630088 /nfs/dbraw/zinc/63/00/88/627630088.db2.gz LALUBYPZQTYZKZ-QFBILLFUSA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](N3CCCC3)[C@@H]2C)cc1 ZINC000815118166 627630092 /nfs/dbraw/zinc/63/00/92/627630092.db2.gz LALUBYPZQTYZKZ-QFBILLFUSA-N 1 1 301.478 3.201 20 10 DGCDMO Cc1cc(CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)ccc1N(C)C ZINC000815120491 627630987 /nfs/dbraw/zinc/63/09/87/627630987.db2.gz JZNWXFFRTZBKHU-INIZCTEOSA-N 1 1 315.505 3.367 20 10 DGCDMO Cc1cc(C[N@H+]2CCN(C3CCC3)C[C@@H](C)C2)ccc1N(C)C ZINC000815120491 627630989 /nfs/dbraw/zinc/63/09/89/627630989.db2.gz JZNWXFFRTZBKHU-INIZCTEOSA-N 1 1 315.505 3.367 20 10 DGCDMO Cc1cc(C[N@@H+]2CCN(C3CCC3)C[C@@H](C)C2)ccc1N(C)C ZINC000815120491 627630992 /nfs/dbraw/zinc/63/09/92/627630992.db2.gz JZNWXFFRTZBKHU-INIZCTEOSA-N 1 1 315.505 3.367 20 10 DGCDMO CC[C@H]([NH2+]Cc1cc(C)cc(Br)c1O)C(C)(C)O ZINC000815155553 627638914 /nfs/dbraw/zinc/63/89/14/627638914.db2.gz RXEIIOQYLGMYMF-LBPRGKRZSA-N 1 1 316.239 3.102 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cccc(C(F)(F)F)c1O ZINC000815562154 627684880 /nfs/dbraw/zinc/68/48/80/627684880.db2.gz YNUXXUAMJBPNJY-QMTHXVAHSA-N 1 1 316.367 3.402 20 10 DGCDMO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815558674 627685136 /nfs/dbraw/zinc/68/51/36/627685136.db2.gz KTIVULZTFOEDJG-GHMZBOCLSA-N 1 1 313.323 3.347 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815578310 627686775 /nfs/dbraw/zinc/68/67/75/627686775.db2.gz LWGFLJHDTZDPHS-NWDGAFQWSA-N 1 1 316.367 3.403 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815578311 627686866 /nfs/dbraw/zinc/68/68/66/627686866.db2.gz LWGFLJHDTZDPHS-RYUDHWBXSA-N 1 1 316.367 3.403 20 10 DGCDMO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cccc(C(F)(F)F)c1O ZINC000815579184 627687067 /nfs/dbraw/zinc/68/70/67/627687067.db2.gz HCSCNZDWIYHQAK-YGRLFVJLSA-N 1 1 303.324 3.488 20 10 DGCDMO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc(C(F)(F)F)c1O ZINC000815579183 627687237 /nfs/dbraw/zinc/68/72/37/627687237.db2.gz HCSCNZDWIYHQAK-QMTHXVAHSA-N 1 1 303.324 3.488 20 10 DGCDMO CC(C)[C@H](CCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815584151 627687588 /nfs/dbraw/zinc/68/75/88/627687588.db2.gz WUEMOLCHDAJOLT-MFKMUULPSA-N 1 1 305.340 3.469 20 10 DGCDMO CC[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815587448 627688433 /nfs/dbraw/zinc/68/84/33/627688433.db2.gz JWNPCQSVCALHQA-QWRGUYRKSA-N 1 1 305.340 3.470 20 10 DGCDMO CN(C)c1ccc(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925512033 627744869 /nfs/dbraw/zinc/74/48/69/627744869.db2.gz YQVYUAMUFUTSMA-MOPGFXCFSA-N 1 1 301.478 3.011 20 10 DGCDMO Oc1ccc2c(c1)CN(Cc1cc(Cl)c(F)cc1O)CC2 ZINC000816492552 627796132 /nfs/dbraw/zinc/79/61/32/627796132.db2.gz VQDGYPDABJMIEE-UHFFFAOYSA-N 1 1 307.752 3.449 20 10 DGCDMO Cn1nccc1[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816494320 627797084 /nfs/dbraw/zinc/79/70/84/627797084.db2.gz GWGRWXYJHBRBQR-NSHDSACASA-N 1 1 323.799 3.298 20 10 DGCDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816494320 627797087 /nfs/dbraw/zinc/79/70/87/627797087.db2.gz GWGRWXYJHBRBQR-NSHDSACASA-N 1 1 323.799 3.298 20 10 DGCDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000816515147 627800784 /nfs/dbraw/zinc/80/07/84/627800784.db2.gz QTDQMNAASIYZEI-YPMHNXCESA-N 1 1 314.832 3.489 20 10 DGCDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000816515147 627800785 /nfs/dbraw/zinc/80/07/85/627800785.db2.gz QTDQMNAASIYZEI-YPMHNXCESA-N 1 1 314.832 3.489 20 10 DGCDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000816515147 627800786 /nfs/dbraw/zinc/80/07/86/627800786.db2.gz QTDQMNAASIYZEI-YPMHNXCESA-N 1 1 314.832 3.489 20 10 DGCDMO [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000816521120 627801455 /nfs/dbraw/zinc/80/14/55/627801455.db2.gz HQRBEIMHAWYDPV-RYUDHWBXSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000816521120 627801458 /nfs/dbraw/zinc/80/14/58/627801458.db2.gz HQRBEIMHAWYDPV-RYUDHWBXSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000816521120 627801462 /nfs/dbraw/zinc/80/14/62/627801462.db2.gz HQRBEIMHAWYDPV-RYUDHWBXSA-N 1 1 313.800 3.433 20 10 DGCDMO CN(CC[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816533473 627803036 /nfs/dbraw/zinc/80/30/36/627803036.db2.gz XQWQVTDSCVEKOB-UHFFFAOYSA-N 1 1 308.784 3.411 20 10 DGCDMO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816538219 627804512 /nfs/dbraw/zinc/80/45/12/627804512.db2.gz JJCPUWWQDWKWGT-VXGBXAGGSA-N 1 1 314.832 3.395 20 10 DGCDMO CCOc1ncccc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816561534 627808703 /nfs/dbraw/zinc/80/87/03/627808703.db2.gz BDXNVCJIWRJBGP-UHFFFAOYSA-N 1 1 310.756 3.268 20 10 DGCDMO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816588484 627811664 /nfs/dbraw/zinc/81/16/64/627811664.db2.gz PHIPQMKDTRQTNX-CQSZACIVSA-N 1 1 323.795 3.186 20 10 DGCDMO Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816588721 627811806 /nfs/dbraw/zinc/81/18/06/627811806.db2.gz WWLKCYATRPIEBP-CQSZACIVSA-N 1 1 323.795 3.186 20 10 DGCDMO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816599771 627813708 /nfs/dbraw/zinc/81/37/08/627813708.db2.gz XYGWVIYBBCSUKK-AWEZNQCLSA-N 1 1 323.795 3.268 20 10 DGCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(Cl)c(F)cc1O ZINC000816608395 627814278 /nfs/dbraw/zinc/81/42/78/627814278.db2.gz YNLJMRAVXWAFQH-CTWVWSKESA-N 1 1 311.784 3.040 20 10 DGCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cc(Cl)c(F)cc1O ZINC000816608395 627814279 /nfs/dbraw/zinc/81/42/79/627814279.db2.gz YNLJMRAVXWAFQH-CTWVWSKESA-N 1 1 311.784 3.040 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)C[C@H](C)[S@]1=O ZINC000816608816 627814284 /nfs/dbraw/zinc/81/42/84/627814284.db2.gz KEOGOYBZQDJKHQ-JWCWZOIMSA-N 1 1 317.454 3.277 20 10 DGCDMO COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816610319 627814965 /nfs/dbraw/zinc/81/49/65/627814965.db2.gz GQWPHORWOHKQHH-UHFFFAOYSA-N 1 1 323.751 3.261 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@H](O)Cc1ccccc1 ZINC000816625246 627816658 /nfs/dbraw/zinc/81/66/58/627816658.db2.gz XYTVPVVYKAVHFX-CQSZACIVSA-N 1 1 323.795 3.220 20 10 DGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@H](O)Cc1ccccc1 ZINC000816625246 627816661 /nfs/dbraw/zinc/81/66/61/627816661.db2.gz XYTVPVVYKAVHFX-CQSZACIVSA-N 1 1 323.795 3.220 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000816647873 627820216 /nfs/dbraw/zinc/82/02/16/627820216.db2.gz ZHCALMXNIDPVJY-ZIAGYGMSSA-N 1 1 303.406 3.425 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)N1C ZINC000816653057 627820913 /nfs/dbraw/zinc/82/09/13/627820913.db2.gz DJSDKGLXIXNZAY-CALCHBBNSA-N 1 1 301.478 3.201 20 10 DGCDMO C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H](C)[N@H+]1C ZINC000816653057 627820915 /nfs/dbraw/zinc/82/09/15/627820915.db2.gz DJSDKGLXIXNZAY-CALCHBBNSA-N 1 1 301.478 3.201 20 10 DGCDMO C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H](C)[N@@H+]1C ZINC000816653057 627820917 /nfs/dbraw/zinc/82/09/17/627820917.db2.gz DJSDKGLXIXNZAY-CALCHBBNSA-N 1 1 301.478 3.201 20 10 DGCDMO COc1cc(CN(C)C[C@H]2CCC[N@H+]2C)c(O)c(C(C)(C)C)c1 ZINC000817372488 627891208 /nfs/dbraw/zinc/89/12/08/627891208.db2.gz IYBFCPVDWDHLGO-OAHLLOKOSA-N 1 1 320.477 3.224 20 10 DGCDMO COc1cc(C[N@H+](C)C[C@H]2CCCN2C)c(O)c(C(C)(C)C)c1 ZINC000817372488 627891210 /nfs/dbraw/zinc/89/12/10/627891210.db2.gz IYBFCPVDWDHLGO-OAHLLOKOSA-N 1 1 320.477 3.224 20 10 DGCDMO COc1cc(C[N@@H+](C)C[C@H]2CCCN2C)c(O)c(C(C)(C)C)c1 ZINC000817372488 627891213 /nfs/dbraw/zinc/89/12/13/627891213.db2.gz IYBFCPVDWDHLGO-OAHLLOKOSA-N 1 1 320.477 3.224 20 10 DGCDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1O ZINC000817412429 627896354 /nfs/dbraw/zinc/89/63/54/627896354.db2.gz KYLFNLAHHLOWRH-ZFWWWQNUSA-N 1 1 305.418 3.334 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000817419640 627898299 /nfs/dbraw/zinc/89/82/99/627898299.db2.gz VQKXQLINIAYUAE-AJNOYIKESA-N 1 1 302.462 3.250 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000817894840 627954623 /nfs/dbraw/zinc/95/46/23/627954623.db2.gz QRVZSFSHBSGROH-JXFKEZNVSA-N 1 1 311.473 3.109 20 10 DGCDMO Cc1cc(N(C)C)ccc1CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817894840 627954627 /nfs/dbraw/zinc/95/46/27/627954627.db2.gz QRVZSFSHBSGROH-JXFKEZNVSA-N 1 1 311.473 3.109 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1F ZINC000817903190 627957063 /nfs/dbraw/zinc/95/70/63/627957063.db2.gz JOEXHFAMTHSZCH-WMLDXEAASA-N 1 1 307.457 3.150 20 10 DGCDMO c1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc2c1OCC2 ZINC000817902545 627957279 /nfs/dbraw/zinc/95/72/79/627957279.db2.gz TWERPXGPEIBYOY-RCCFBDPRSA-N 1 1 300.446 3.022 20 10 DGCDMO Cc1ccc2c(c1)[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000817938029 627966711 /nfs/dbraw/zinc/96/67/11/627966711.db2.gz BRQWZFFBYHFRBP-UXHICEINSA-N 1 1 309.457 3.338 20 10 DGCDMO Cc1ccc2c(c1)[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000817938031 627966840 /nfs/dbraw/zinc/96/68/40/627966840.db2.gz BRQWZFFBYHFRBP-WOJBJXKFSA-N 1 1 309.457 3.338 20 10 DGCDMO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000817939097 627967466 /nfs/dbraw/zinc/96/74/66/627967466.db2.gz YVTNBBNCUWOFDW-FZKQIMNGSA-N 1 1 301.409 3.242 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000817938974 627967645 /nfs/dbraw/zinc/96/76/45/627967645.db2.gz WQVJFQPUHLHANZ-RBUKOAKNSA-N 1 1 313.420 3.169 20 10 DGCDMO CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817942036 627968461 /nfs/dbraw/zinc/96/84/61/627968461.db2.gz WBUZWFWTQKGDPI-ZWNOBZJWSA-N 1 1 303.233 3.492 20 10 DGCDMO Oc1ccccc1[C@@H](CCc1ccccc1)N[C@@H]1CCC[NH2+]C1 ZINC000817942105 627968984 /nfs/dbraw/zinc/96/89/84/627968984.db2.gz WTVRFSKNTMIUPH-IEBWSBKVSA-N 1 1 310.441 3.408 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCCNc3ccccc32)cc1 ZINC000817944336 627969368 /nfs/dbraw/zinc/96/93/68/627969368.db2.gz ZIAJYPZQWCDBEU-ICSRJNTNSA-N 1 1 324.472 3.289 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CN[C@H](c2cccnc2)C2CCC2)cc1 ZINC000817943261 627969420 /nfs/dbraw/zinc/96/94/20/627969420.db2.gz SXJZCELRPOIATI-UXHICEINSA-N 1 1 324.472 3.278 20 10 DGCDMO CC(C)[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817944145 627970086 /nfs/dbraw/zinc/97/00/86/627970086.db2.gz XOZWQGRAHZERDQ-RBUKOAKNSA-N 1 1 312.461 3.134 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817945799 627970974 /nfs/dbraw/zinc/97/09/74/627970974.db2.gz MIFOOHYKRPMRNM-RISCZKNCSA-N 1 1 316.367 3.451 20 10 DGCDMO C[C@H]([NH2+]CCNC1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817953582 627973096 /nfs/dbraw/zinc/97/30/96/627973096.db2.gz OPTZAKZKTDMQBR-INIZCTEOSA-N 1 1 301.478 3.470 20 10 DGCDMO C[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817960337 627975692 /nfs/dbraw/zinc/97/56/92/627975692.db2.gz MEDDDHKQAIFTFB-GUYCJALGSA-N 1 1 305.441 3.204 20 10 DGCDMO CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817967023 627977865 /nfs/dbraw/zinc/97/78/65/627977865.db2.gz COGZYYSEATVHRW-CQSZACIVSA-N 1 1 314.351 3.371 20 10 DGCDMO C[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000817970851 627979657 /nfs/dbraw/zinc/97/96/57/627979657.db2.gz GFQRNIGTUZQDSL-NUJGCVRESA-N 1 1 301.478 3.468 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(Br)cc1[O-] ZINC000817976245 627980980 /nfs/dbraw/zinc/98/09/80/627980980.db2.gz IRWSESSRMOUQMG-WDEREUQCSA-N 1 1 315.255 3.323 20 10 DGCDMO C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000817976543 627981953 /nfs/dbraw/zinc/98/19/53/627981953.db2.gz NERKVNTXSSFJTQ-MNOVXSKESA-N 1 1 315.255 3.323 20 10 DGCDMO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2c1c(F)ccc2[O-] ZINC000817985093 627983107 /nfs/dbraw/zinc/98/31/07/627983107.db2.gz ABZXAGCRHJYLSG-VVSAWPALSA-N 1 1 304.409 3.057 20 10 DGCDMO C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1c(O)cccc1F ZINC000926959317 627990030 /nfs/dbraw/zinc/99/00/30/627990030.db2.gz RHONCEPLKLKZMH-JOYOIKCWSA-N 1 1 308.319 3.065 20 10 DGCDMO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)s1 ZINC000818357036 628017654 /nfs/dbraw/zinc/01/76/54/628017654.db2.gz UUWCWMHQCBWRPC-GHMZBOCLSA-N 1 1 320.414 3.356 20 10 DGCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000821392500 628363201 /nfs/dbraw/zinc/36/32/01/628363201.db2.gz ZYNLLCBCRUHMJX-OAHLLOKOSA-N 1 1 318.461 3.109 20 10 DGCDMO C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[N@@H+](C2CC2)C1 ZINC000824445586 628661230 /nfs/dbraw/zinc/66/12/30/628661230.db2.gz GEJLRVHRGJDNCW-LLVKDONJSA-N 1 1 312.816 3.101 20 10 DGCDMO C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[N@H+](C2CC2)C1 ZINC000824445586 628661231 /nfs/dbraw/zinc/66/12/31/628661231.db2.gz GEJLRVHRGJDNCW-LLVKDONJSA-N 1 1 312.816 3.101 20 10 DGCDMO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C(CF)CF ZINC000824555811 628670516 /nfs/dbraw/zinc/67/05/16/628670516.db2.gz XLHWFNCZGWVVAF-UHFFFAOYSA-N 1 1 307.340 3.368 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)CCCCO)c1 ZINC000824653843 628680354 /nfs/dbraw/zinc/68/03/54/628680354.db2.gz INFBNRJMUMAZKY-NSHDSACASA-N 1 1 316.239 3.104 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC1(CF)CCOCC1 ZINC000824795287 628694786 /nfs/dbraw/zinc/69/47/86/628694786.db2.gz SPQKYQRNFSLPFF-UHFFFAOYSA-N 1 1 305.752 3.041 20 10 DGCDMO COc1cc(O)c(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1OC ZINC000824941589 628709437 /nfs/dbraw/zinc/70/94/37/628709437.db2.gz PVIOLQCYPLBGTG-KDOFPFPSSA-N 1 1 303.402 3.030 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCc3cccc(OC)c3C2)c(O)c1 ZINC000824983300 628712841 /nfs/dbraw/zinc/71/28/41/628712841.db2.gz TURGVFBZYDVFPF-UHFFFAOYSA-N 1 1 313.397 3.358 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)cc1 ZINC000825025187 628717174 /nfs/dbraw/zinc/71/71/74/628717174.db2.gz ZIIKSJBSXCYEJP-JOCHJYFZSA-N 1 1 322.518 3.266 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)cc1 ZINC000825025187 628717175 /nfs/dbraw/zinc/71/71/75/628717175.db2.gz ZIIKSJBSXCYEJP-JOCHJYFZSA-N 1 1 322.518 3.266 20 10 DGCDMO C[C@@H]1CSCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825693149 628786451 /nfs/dbraw/zinc/78/64/51/628786451.db2.gz UKRCCMNSMKFIHO-JTQLQIEISA-N 1 1 316.264 3.340 20 10 DGCDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc(Cl)c(C)cc4O)[C@H]1[C@H]3C2 ZINC000825884776 628806694 /nfs/dbraw/zinc/80/66/94/628806694.db2.gz ACRVPAVFBXWUFS-SKRAFVOUSA-N 1 1 307.821 3.209 20 10 DGCDMO Cc1nccn1CCC[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825928250 628810964 /nfs/dbraw/zinc/81/09/64/628810964.db2.gz PFOZKDAKKVVQJU-UHFFFAOYSA-N 1 1 307.825 3.381 20 10 DGCDMO Cc1cc(O)c(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1Cl ZINC000825935509 628811508 /nfs/dbraw/zinc/81/15/08/628811508.db2.gz WIDBZDOGJUHZRH-XJKSGUPXSA-N 1 1 308.853 3.270 20 10 DGCDMO Cc1cc(O)c(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1Cl ZINC000825935509 628811510 /nfs/dbraw/zinc/81/15/10/628811510.db2.gz WIDBZDOGJUHZRH-XJKSGUPXSA-N 1 1 308.853 3.270 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Cl ZINC000826048659 628823202 /nfs/dbraw/zinc/82/32/02/628823202.db2.gz JSPBXGZXTCHCEB-BMFZPTHFSA-N 1 1 309.837 3.479 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(O)c1 ZINC000827640357 628979005 /nfs/dbraw/zinc/97/90/05/628979005.db2.gz VWMRJDASJWJJSM-GOSISDBHSA-N 1 1 313.397 3.444 20 10 DGCDMO Cc1cc(C[N@@H+](CCCO)C2CC2)ccc1N1CCCCC1 ZINC000827851582 628997344 /nfs/dbraw/zinc/99/73/44/628997344.db2.gz FTAGESYCPAUXEA-UHFFFAOYSA-N 1 1 302.462 3.332 20 10 DGCDMO C[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1O ZINC000827937052 629005544 /nfs/dbraw/zinc/00/55/44/629005544.db2.gz JDTVPRLFKHPCNR-CABCVRRESA-N 1 1 316.445 3.224 20 10 DGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](C(F)F)C3)cc2)CC1 ZINC000828545215 629065871 /nfs/dbraw/zinc/06/58/71/629065871.db2.gz OGHUTFHLUFIPHK-OAHLLOKOSA-N 1 1 324.415 3.389 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)ccc1N(C)C ZINC000828910095 629108418 /nfs/dbraw/zinc/10/84/18/629108418.db2.gz CNIIEXLQEQSRCI-HKUYNNGSSA-N 1 1 302.462 3.452 20 10 DGCDMO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)C12CCC2 ZINC000832208424 629449973 /nfs/dbraw/zinc/44/99/73/629449973.db2.gz ACAMHAJXFAAOEN-HZPDHXFCSA-N 1 1 321.392 3.123 20 10 DGCDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2O)C12CCC2 ZINC000832208424 629449977 /nfs/dbraw/zinc/44/99/77/629449977.db2.gz ACAMHAJXFAAOEN-HZPDHXFCSA-N 1 1 321.392 3.123 20 10 DGCDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834503242 629718649 /nfs/dbraw/zinc/71/86/49/629718649.db2.gz XBJVMMGICJKZOV-APWZRJJASA-N 1 1 319.408 3.492 20 10 DGCDMO COCC(COC)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000834891901 629799098 /nfs/dbraw/zinc/79/90/98/629799098.db2.gz QCCUPXGKLFRNOY-MRVPVSSYSA-N 1 1 308.205 3.011 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000834907597 629805596 /nfs/dbraw/zinc/80/55/96/629805596.db2.gz XGZDMWWHOFBXDW-XHNCKOQMSA-N 1 1 317.216 3.004 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCOCC2CCCC2)c1 ZINC000834910355 629806833 /nfs/dbraw/zinc/80/68/33/629806833.db2.gz OJKVCKZRAWXPGB-CYBMUJFWSA-N 1 1 321.417 3.036 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000835026207 629827484 /nfs/dbraw/zinc/82/74/84/629827484.db2.gz SEFLBXDXDNVXAX-IDOMTICXSA-N 1 1 300.446 3.267 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000835025807 629828146 /nfs/dbraw/zinc/82/81/46/629828146.db2.gz NPLVQYMPIUPLEF-NJELEJDNSA-N 1 1 310.445 3.369 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000835028303 629829281 /nfs/dbraw/zinc/82/92/81/629829281.db2.gz LVSIJBNQAPSYQW-ONEGZZNKSA-N 1 1 300.446 3.268 20 10 DGCDMO CN(C)c1ccc(/C=C/CNC2CC[NH+](C3CCC3)CC2)cc1 ZINC000835034419 629830305 /nfs/dbraw/zinc/83/03/05/629830305.db2.gz ANIGYISQPYKZOW-SNAWJCMRSA-N 1 1 313.489 3.372 20 10 DGCDMO CN(C)c1ccc(/C=C/C[NH2+]C2CCN(C3CCC3)CC2)cc1 ZINC000835034419 629830307 /nfs/dbraw/zinc/83/03/07/629830307.db2.gz ANIGYISQPYKZOW-SNAWJCMRSA-N 1 1 313.489 3.372 20 10 DGCDMO CC(C)[N@@H+]1CCC[C@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835038575 629831358 /nfs/dbraw/zinc/83/13/58/629831358.db2.gz UBTQVEJJWAEVGR-SUOMESGTSA-N 1 1 315.505 3.476 20 10 DGCDMO CC(C)[N@H+]1CCC[C@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835038575 629831364 /nfs/dbraw/zinc/83/13/64/629831364.db2.gz UBTQVEJJWAEVGR-SUOMESGTSA-N 1 1 315.505 3.476 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC000835043688 629833738 /nfs/dbraw/zinc/83/37/38/629833738.db2.gz BETYYTFYLZVMTM-LOYZYROESA-N 1 1 302.462 3.249 20 10 DGCDMO COc1ccc(C[N@@H+](C)C/C=C/c2ccc(N(C)C)cc2)cn1 ZINC000835048762 629835466 /nfs/dbraw/zinc/83/54/66/629835466.db2.gz XYACAHWXAIRBKO-AATRIKPKSA-N 1 1 311.429 3.301 20 10 DGCDMO COc1c(O)c(C[NH2+]CC2(C3CCC3)CCC2)ccc1[N+](=O)[O-] ZINC000835059756 629840906 /nfs/dbraw/zinc/84/09/06/629840906.db2.gz YAENCAJQZZDEAI-UHFFFAOYSA-N 1 1 320.389 3.369 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cc2n(n1)CCC2 ZINC000840713224 630351254 /nfs/dbraw/zinc/35/12/54/630351254.db2.gz LGHGOSHSZSHFRI-OAHLLOKOSA-N 1 1 310.445 3.280 20 10 DGCDMO C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000840878956 630370753 /nfs/dbraw/zinc/37/07/53/630370753.db2.gz AHRPAUOPAYETQO-WCQYABFASA-N 1 1 307.340 3.097 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000840918411 630378249 /nfs/dbraw/zinc/37/82/49/630378249.db2.gz GKMSMHFHGBPZOP-GOSISDBHSA-N 1 1 312.461 3.304 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c(Cl)c1 ZINC000840940931 630381195 /nfs/dbraw/zinc/38/11/95/630381195.db2.gz NUNBQKYRDVURKR-CYBMUJFWSA-N 1 1 319.836 3.467 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](N2CCCC2)[C@@H]1C ZINC000840946583 630381736 /nfs/dbraw/zinc/38/17/36/630381736.db2.gz SFHULAKCPOXEOA-LPHOPBHVSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](N2CCCC2)[C@@H]1C ZINC000840946583 630381739 /nfs/dbraw/zinc/38/17/39/630381739.db2.gz SFHULAKCPOXEOA-LPHOPBHVSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000840948719 630382452 /nfs/dbraw/zinc/38/24/52/630382452.db2.gz ICMZKANKRQSWJM-IBGZPJMESA-N 1 1 304.478 3.292 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000840947497 630382524 /nfs/dbraw/zinc/38/25/24/630382524.db2.gz WQQVIELZICYLED-DFNIBXOVSA-N 1 1 301.478 3.118 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000840947497 630382525 /nfs/dbraw/zinc/38/25/25/630382525.db2.gz WQQVIELZICYLED-DFNIBXOVSA-N 1 1 301.478 3.118 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000840947497 630382527 /nfs/dbraw/zinc/38/25/27/630382527.db2.gz WQQVIELZICYLED-DFNIBXOVSA-N 1 1 301.478 3.118 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000840947497 630382529 /nfs/dbraw/zinc/38/25/29/630382529.db2.gz WQQVIELZICYLED-DFNIBXOVSA-N 1 1 301.478 3.118 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000840947497 630382530 /nfs/dbraw/zinc/38/25/30/630382530.db2.gz WQQVIELZICYLED-DFNIBXOVSA-N 1 1 301.478 3.118 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](N2CCCC2)[C@H]1C ZINC000840946585 630382550 /nfs/dbraw/zinc/38/25/50/630382550.db2.gz SFHULAKCPOXEOA-VQIMIIECSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](N2CCCC2)[C@H]1C ZINC000840946585 630382552 /nfs/dbraw/zinc/38/25/52/630382552.db2.gz SFHULAKCPOXEOA-VQIMIIECSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c(Cl)c1 ZINC000840949136 630382767 /nfs/dbraw/zinc/38/27/67/630382767.db2.gz RCPDMWBLLUBTHQ-GFCCVEGCSA-N 1 1 305.809 3.077 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)c1O ZINC000840955289 630384480 /nfs/dbraw/zinc/38/44/80/630384480.db2.gz TWNBWJVTFZRIML-HNNXBMFYSA-N 1 1 311.809 3.055 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCO[C@H](C3CCC3)C2)c1O ZINC000840955289 630384484 /nfs/dbraw/zinc/38/44/84/630384484.db2.gz TWNBWJVTFZRIML-HNNXBMFYSA-N 1 1 311.809 3.055 20 10 DGCDMO CCOc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1O ZINC000840956307 630384812 /nfs/dbraw/zinc/38/48/12/630384812.db2.gz MZDRRYOQHOLTIV-IAGOWNOFSA-N 1 1 313.397 3.099 20 10 DGCDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000840975374 630390142 /nfs/dbraw/zinc/39/01/42/630390142.db2.gz GOHHAHOYLOJITN-IBGZPJMESA-N 1 1 313.397 3.321 20 10 DGCDMO Cc1cc(O)c(CNC[C@H]2[NH2+]CCc3ccccc32)c(Cl)c1 ZINC000841066745 630403652 /nfs/dbraw/zinc/40/36/52/630403652.db2.gz GIZSJNMBOUZVSH-QGZVFWFLSA-N 1 1 316.832 3.331 20 10 DGCDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(N)cc2)C1 ZINC000841299872 630425036 /nfs/dbraw/zinc/42/50/36/630425036.db2.gz JGQQNBWTYIVYMT-AWEZNQCLSA-N 1 1 318.465 3.291 20 10 DGCDMO C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc(Cl)cc1O ZINC000841746382 630461984 /nfs/dbraw/zinc/46/19/84/630461984.db2.gz FRNVRSLZPBFVIN-LLVKDONJSA-N 1 1 319.792 3.120 20 10 DGCDMO CCOC(CC[NH2+][C@H](C)c1ccc(Cl)cc1O)OCC ZINC000841751257 630462249 /nfs/dbraw/zinc/46/22/49/630462249.db2.gz GUXQDKLBSAWSLJ-LLVKDONJSA-N 1 1 301.814 3.485 20 10 DGCDMO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(Cl)cc1O ZINC000841752883 630462409 /nfs/dbraw/zinc/46/24/09/630462409.db2.gz VJCRLVYMODQYKK-NSHDSACASA-N 1 1 310.825 3.003 20 10 DGCDMO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841758044 630462807 /nfs/dbraw/zinc/46/28/07/630462807.db2.gz KBQQCFLOGYQXNT-JSGCOSHPSA-N 1 1 314.857 3.053 20 10 DGCDMO C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(Cl)cc1O ZINC000841764111 630463328 /nfs/dbraw/zinc/46/33/28/630463328.db2.gz PDWLNOLZMFENLF-GFCCVEGCSA-N 1 1 324.852 3.345 20 10 DGCDMO CO[C@H](CC(C)C)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000842151531 630498919 /nfs/dbraw/zinc/49/89/19/630498919.db2.gz CAIRSNLPGXEIHU-QZTJIDSGSA-N 1 1 321.461 3.434 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1)CCC2 ZINC000842612831 630553394 /nfs/dbraw/zinc/55/33/94/630553394.db2.gz OVULVKMNZXYWKX-AEFFLSMTSA-N 1 1 301.430 3.272 20 10 DGCDMO COc1cc(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)c(O)cc1C ZINC000842644222 630557506 /nfs/dbraw/zinc/55/75/06/630557506.db2.gz DUXVQVZGLUQYKO-AWEZNQCLSA-N 1 1 305.418 3.243 20 10 DGCDMO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cccc(Br)c1O ZINC000842755366 630571799 /nfs/dbraw/zinc/57/17/99/630571799.db2.gz XYCGRGUXAPGZRF-CMPLNLGQSA-N 1 1 316.239 3.041 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c1 ZINC000842922430 630593543 /nfs/dbraw/zinc/59/35/43/630593543.db2.gz WYHIIRRDDXZAQL-FPMFFAJLSA-N 1 1 321.417 3.176 20 10 DGCDMO C[C@@H]([NH2+][C@@H](CCO)c1ccccc1F)c1ccc(F)cc1O ZINC000842924428 630594047 /nfs/dbraw/zinc/59/40/47/630594047.db2.gz QCCJKNVXJQUANG-BZNIZROVSA-N 1 1 307.340 3.445 20 10 DGCDMO C[NH2+]C[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843045267 630607596 /nfs/dbraw/zinc/60/75/96/630607596.db2.gz TVSCOJVQRVAVMJ-SFHVURJKSA-N 1 1 301.478 3.108 20 10 DGCDMO CCN(CC)c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000843044786 630607731 /nfs/dbraw/zinc/60/77/31/630607731.db2.gz JFTAFKNSBIQHNR-UYAOXDASSA-N 1 1 315.505 3.497 20 10 DGCDMO CCOc1ccc(CN(CCC[NH3+])Cc2ccccc2)c(O)c1 ZINC000843107167 630614711 /nfs/dbraw/zinc/61/47/11/630614711.db2.gz AQPSLAQXUMPBRD-UHFFFAOYSA-N 1 1 314.429 3.142 20 10 DGCDMO C[C@@H]([NH2+]CCCCCC[NH3+])c1cc(Br)ccc1[O-] ZINC000843341188 630647485 /nfs/dbraw/zinc/64/74/85/630647485.db2.gz HHSHLXGQPSLEHP-LLVKDONJSA-N 1 1 315.255 3.324 20 10 DGCDMO C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(Br)cc1[O-] ZINC000843342096 630647538 /nfs/dbraw/zinc/64/75/38/630647538.db2.gz NINZAPSFJVKXJF-LLVKDONJSA-N 1 1 315.255 3.324 20 10 DGCDMO Oc1c(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)ccc2ccccc21 ZINC000843414534 630653444 /nfs/dbraw/zinc/65/34/44/630653444.db2.gz HWBSLPOHCAXOAF-MRXNPFEDSA-N 1 1 320.396 3.022 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c(O)c1 ZINC000843416749 630654186 /nfs/dbraw/zinc/65/41/86/630654186.db2.gz VWMRJDASJWJJSM-SFHVURJKSA-N 1 1 313.397 3.444 20 10 DGCDMO Cc1cccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c1O ZINC000843429577 630657431 /nfs/dbraw/zinc/65/74/31/630657431.db2.gz GYMVRJBPDJQXIW-MOPGFXCFSA-N 1 1 310.441 3.136 20 10 DGCDMO C[C@@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC2(CCC2)O1 ZINC000843431700 630658276 /nfs/dbraw/zinc/65/82/76/630658276.db2.gz BUBJQFCCUMSJIB-DQOPKJQZSA-N 1 1 300.446 3.409 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCCC[C@@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000843437536 630659291 /nfs/dbraw/zinc/65/92/91/630659291.db2.gz KGRNAHGZCKUDTH-CQSZACIVSA-N 1 1 320.389 3.464 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCCC[C@@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000843437536 630659293 /nfs/dbraw/zinc/65/92/93/630659293.db2.gz KGRNAHGZCKUDTH-CQSZACIVSA-N 1 1 320.389 3.464 20 10 DGCDMO Oc1ccccc1C[N@@H+](Cc1cc2n(n1)CCC2)C1CCCC1 ZINC000844297889 630716575 /nfs/dbraw/zinc/71/65/75/630716575.db2.gz UNSDJYDMDOMIHA-UHFFFAOYSA-N 1 1 311.429 3.480 20 10 DGCDMO Cc1nnsc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000844296382 630716612 /nfs/dbraw/zinc/71/66/12/630716612.db2.gz IVIKJEUPYXKTQD-UHFFFAOYSA-N 1 1 303.431 3.497 20 10 DGCDMO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000844378712 630723061 /nfs/dbraw/zinc/72/30/61/630723061.db2.gz LUZQAJNOBXRZQM-MEBBXXQBSA-N 1 1 313.825 3.135 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccc(Cl)cn2)cc1 ZINC000844401824 630724755 /nfs/dbraw/zinc/72/47/55/630724755.db2.gz RWXTZWIZYYAYQK-UHFFFAOYSA-N 1 1 319.836 3.312 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1O ZINC000844470442 630733003 /nfs/dbraw/zinc/73/30/03/630733003.db2.gz HWTSIFOFJNZXAI-AWEZNQCLSA-N 1 1 315.747 3.479 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1O ZINC000844470442 630733005 /nfs/dbraw/zinc/73/30/05/630733005.db2.gz HWTSIFOFJNZXAI-AWEZNQCLSA-N 1 1 315.747 3.479 20 10 DGCDMO C[NH2+]Cc1ccccc1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000844904347 630972796 /nfs/dbraw/zinc/97/27/96/630972796.db2.gz IQTBECFXYFYWLQ-UHFFFAOYSA-N 1 1 304.821 3.363 20 10 DGCDMO C[C@H](O)[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1F ZINC000846015608 631205991 /nfs/dbraw/zinc/20/59/91/631205991.db2.gz CROKFUOURWIXEI-SGTLLEGYSA-N 1 1 320.383 3.243 20 10 DGCDMO C[C@H](CCO)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000846110736 631210179 /nfs/dbraw/zinc/21/01/79/631210179.db2.gz KOFLYDLHSHEDIH-OAHLLOKOSA-N 1 1 315.413 3.174 20 10 DGCDMO COc1cccc([C@H](C)[NH2+]CCCN2CCC(C)CC2)c1O ZINC000846136295 631211477 /nfs/dbraw/zinc/21/14/77/631211477.db2.gz IEOVVQZSPXUKFQ-HNNXBMFYSA-N 1 1 306.450 3.173 20 10 DGCDMO CCCCN1CCC([NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846142012 631211555 /nfs/dbraw/zinc/21/15/55/631211555.db2.gz QMKQEIGVILKLEX-CQSZACIVSA-N 1 1 306.450 3.316 20 10 DGCDMO COc1cccc([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)c1O ZINC000846147249 631212081 /nfs/dbraw/zinc/21/20/81/631212081.db2.gz UAJYCEMGZUYFIE-CYBMUJFWSA-N 1 1 306.450 3.314 20 10 DGCDMO COc1cccc([C@H](C)[NH2+]Cc2nc3ccc(C)cc3[nH]2)c1O ZINC000846149414 631212349 /nfs/dbraw/zinc/21/23/49/631212349.db2.gz ZABPAJKOMKUCNV-LBPRGKRZSA-N 1 1 311.385 3.436 20 10 DGCDMO CCCNC(=O)CCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000846776102 631302046 /nfs/dbraw/zinc/30/20/46/631302046.db2.gz JPEWEEYFSRPCOG-UHFFFAOYSA-N 1 1 317.477 3.023 20 10 DGCDMO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H]1CCCOC1 ZINC000107670238 631679149 /nfs/dbraw/zinc/67/91/49/631679149.db2.gz BGNKERPSWCMTHL-CYBMUJFWSA-N 1 1 307.434 3.254 20 10 DGCDMO CCc1cccc(C[N@@H+](C)CCCNC(=O)OC(C)(C)C)c1O ZINC000848888158 631772669 /nfs/dbraw/zinc/77/26/69/631772669.db2.gz NOOWRANBUFCMCP-UHFFFAOYSA-N 1 1 322.449 3.301 20 10 DGCDMO CCc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1O ZINC000848891548 631774953 /nfs/dbraw/zinc/77/49/53/631774953.db2.gz ZYOWWLUIFSRUNE-VQIMIIECSA-N 1 1 314.473 3.403 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1O ZINC000848891548 631774957 /nfs/dbraw/zinc/77/49/57/631774957.db2.gz ZYOWWLUIFSRUNE-VQIMIIECSA-N 1 1 314.473 3.403 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[S@@](=O)C(CC)(CC)C2)c1O ZINC000848902239 631779459 /nfs/dbraw/zinc/77/94/59/631779459.db2.gz BFWGOGCMRSOFAO-OAQYLSRUSA-N 1 1 309.475 3.078 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@@](OC)(C(F)(F)F)C2)c1O ZINC000848905831 631780579 /nfs/dbraw/zinc/78/05/79/631780579.db2.gz PAIYCISZZHCFID-HNNXBMFYSA-N 1 1 317.351 3.498 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1O ZINC000848912081 631784278 /nfs/dbraw/zinc/78/42/78/631784278.db2.gz AHRKNOWBCNLWCZ-HNNXBMFYSA-N 1 1 305.809 3.252 20 10 DGCDMO COc1cccc(C[N@H+]2C[C@H](C)OC3(CCCCC3)C2)c1O ZINC000848928820 631792241 /nfs/dbraw/zinc/79/22/41/631792241.db2.gz ONJYANCTBXVLNB-AWEZNQCLSA-N 1 1 305.418 3.324 20 10 DGCDMO COc1cc(C[NH2+]C[C@H]2CCCN(C)C2)c(O)c(C(C)(C)C)c1 ZINC000850128654 632062036 /nfs/dbraw/zinc/06/20/36/632062036.db2.gz GNHWGAAYAFMQGE-CQSZACIVSA-N 1 1 320.477 3.130 20 10 DGCDMO CCCN(CCC)c1ccc(C[NH2+]Cc2cn(CC)nn2)cc1 ZINC000850366417 632127226 /nfs/dbraw/zinc/12/72/26/632127226.db2.gz ZYPXQCVFLKXAOA-UHFFFAOYSA-N 1 1 315.465 3.214 20 10 DGCDMO C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccc(F)cc1O ZINC000850502016 632173203 /nfs/dbraw/zinc/17/32/03/632173203.db2.gz RGTFWAXVMWIJSB-CYBMUJFWSA-N 1 1 315.392 3.377 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(Cl)cc1O ZINC000850501352 632173503 /nfs/dbraw/zinc/17/35/03/632173503.db2.gz AJUGCRBCDVZJAI-YBQGDOTASA-N 1 1 315.866 3.386 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc(C(F)(F)F)c1O ZINC000850515423 632176584 /nfs/dbraw/zinc/17/65/84/632176584.db2.gz KUIIDNMLKAZXLM-ZJUUUORDSA-N 1 1 303.324 3.223 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1O ZINC000850555925 632192026 /nfs/dbraw/zinc/19/20/26/632192026.db2.gz JYJCMTMCUKISCO-VXGBXAGGSA-N 1 1 324.852 3.343 20 10 DGCDMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1ccccc1O ZINC000109770778 632316169 /nfs/dbraw/zinc/31/61/69/632316169.db2.gz DWCRJUDRVVADKT-NSHDSACASA-N 1 1 320.339 3.129 20 10 DGCDMO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)Cc1ccccc1O ZINC000109770791 632316396 /nfs/dbraw/zinc/31/63/96/632316396.db2.gz NAVGWNNHNVRZBY-LLVKDONJSA-N 1 1 320.339 3.129 20 10 DGCDMO C[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1O ZINC000109773619 632316615 /nfs/dbraw/zinc/31/66/15/632316615.db2.gz KXWJSZYSGPJRRX-UHFFFAOYSA-N 1 1 324.424 3.260 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCO[C@@H]1CC1(F)F)Cc1ccco1 ZINC000851841095 632507016 /nfs/dbraw/zinc/50/70/16/632507016.db2.gz MZDWTTJIRZQCFK-MRXNPFEDSA-N 1 1 323.339 3.412 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+]C2(CCO)CCCC2)c1O ZINC000852118096 632558167 /nfs/dbraw/zinc/55/81/67/632558167.db2.gz DZTQVSIISRHWKW-UHFFFAOYSA-N 1 1 311.809 3.033 20 10 DGCDMO C[C@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc(F)cc1O ZINC000185111387 660202084 /nfs/dbraw/zinc/20/20/84/660202084.db2.gz AJIVYVHCPXMZHG-AWEZNQCLSA-N 1 1 302.393 3.314 20 10 DGCDMO C[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccc(F)cc1O ZINC000186033079 660262088 /nfs/dbraw/zinc/26/20/88/660262088.db2.gz LREHCPWRBBJUQL-CYBMUJFWSA-N 1 1 322.424 3.269 20 10 DGCDMO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000186776242 660574243 /nfs/dbraw/zinc/57/42/43/660574243.db2.gz LWBSPINMLFKSGD-VXGBXAGGSA-N 1 1 324.396 3.049 20 10 DGCDMO CCOC[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707144529 660888601 /nfs/dbraw/zinc/88/86/01/660888601.db2.gz ODCMYCDJZVRIKV-LLVKDONJSA-N 1 1 314.223 3.013 20 10 DGCDMO CCOCC[N@@H+](CC)Cc1c(O)cccc1Br ZINC000707167347 660892735 /nfs/dbraw/zinc/89/27/35/660892735.db2.gz YIRFTOSDVWYOOZ-UHFFFAOYSA-N 1 1 302.212 3.013 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccccc3)C1)CCC2 ZINC000074171640 660954264 /nfs/dbraw/zinc/95/42/64/660954264.db2.gz QEMSSHPHOABODS-HXUWFJFHSA-N 1 1 309.409 3.454 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cn[nH]c2)c(C(F)(F)F)c1 ZINC000792828381 660987067 /nfs/dbraw/zinc/98/70/67/660987067.db2.gz UNVRCXOZGHDUCP-UHFFFAOYSA-N 1 1 312.339 3.127 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCOC[C@H](C3CCC3)C1)CCC2 ZINC000793747231 661055547 /nfs/dbraw/zinc/05/55/47/661055547.db2.gz VYSWYXFQJHNLGN-GOSISDBHSA-N 1 1 301.430 3.129 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C2CC2)O1 ZINC000794652144 661095941 /nfs/dbraw/zinc/09/59/41/661095941.db2.gz IEPWUUZXDXWZRQ-YVEFUNNKSA-N 1 1 319.445 3.395 20 10 DGCDMO C[C@@H]([NH2+]Cc1cncn1C)c1cc(Cl)c(Cl)cc1O ZINC000289980713 655691381 /nfs/dbraw/zinc/69/13/81/655691381.db2.gz XXNBXMGVYWMXRQ-MRVPVSSYSA-N 1 1 300.189 3.283 20 10 DGCDMO CN(C)C1(C[N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)CCC1 ZINC000189797637 656157327 /nfs/dbraw/zinc/15/73/27/656157327.db2.gz FSHJUDUHTFCDNY-UHFFFAOYSA-N 1 1 320.477 3.311 20 10 DGCDMO CN(C)C1(C[N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)CCC1 ZINC000189797637 656157330 /nfs/dbraw/zinc/15/73/30/656157330.db2.gz FSHJUDUHTFCDNY-UHFFFAOYSA-N 1 1 320.477 3.311 20 10 DGCDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000195196836 656210505 /nfs/dbraw/zinc/21/05/05/656210505.db2.gz TVVPOTKUPNCRPJ-GOSISDBHSA-N 1 1 305.418 3.112 20 10 DGCDMO CSC[C@@H]1CCC[N@@H+]1Cc1cccc(Br)c1O ZINC000093761224 656387290 /nfs/dbraw/zinc/38/72/90/656387290.db2.gz OEEMYTWNCAYDJD-NSHDSACASA-N 1 1 316.264 3.482 20 10 DGCDMO CSC[C@@H]1CCC[N@H+]1Cc1cccc(Br)c1O ZINC000093761224 656387294 /nfs/dbraw/zinc/38/72/94/656387294.db2.gz OEEMYTWNCAYDJD-NSHDSACASA-N 1 1 316.264 3.482 20 10 DGCDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(C(C)C)c(C)cc1O ZINC000178775494 657047312 /nfs/dbraw/zinc/04/73/12/657047312.db2.gz LPRJSVRXGARMPO-OAHLLOKOSA-N 1 1 305.418 3.352 20 10 DGCDMO COc1cc(C)cc(C[NH2+]Cc2nc(C)c3ccccc3n2)c1O ZINC000894216121 657096154 /nfs/dbraw/zinc/09/61/54/657096154.db2.gz HSEDDKRBEXFZLB-UHFFFAOYSA-N 1 1 323.396 3.251 20 10 DGCDMO COc1ccc(O)c(CNC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000237204510 657378241 /nfs/dbraw/zinc/37/82/41/657378241.db2.gz SIHNIWUFIYAEQH-RDTXWAMCSA-N 1 1 306.450 3.001 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@H]1O ZINC000249351061 657399865 /nfs/dbraw/zinc/39/98/65/657399865.db2.gz WJDCAVFXYFNLSA-RTBURBONSA-N 1 1 302.462 3.412 20 10 DGCDMO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cccc(Br)c1O ZINC000304033563 657703126 /nfs/dbraw/zinc/70/31/26/657703126.db2.gz GYJYEMAGRXSAEJ-HZMBPMFUSA-N 1 1 316.239 3.041 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000054445735 658321547 /nfs/dbraw/zinc/32/15/47/658321547.db2.gz YOOKOEKEAPAUIC-LBPRGKRZSA-N 1 1 301.386 3.238 20 10 DGCDMO COc1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000164515840 658936893 /nfs/dbraw/zinc/93/68/93/658936893.db2.gz GJXFCEFTUKWARW-QWHCGFSZSA-N 1 1 307.434 3.308 20 10 DGCDMO COc1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000164515840 658936896 /nfs/dbraw/zinc/93/68/96/658936896.db2.gz GJXFCEFTUKWARW-QWHCGFSZSA-N 1 1 307.434 3.308 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](N4CC=CC4)C3)c2c1 ZINC000172932094 659364244 /nfs/dbraw/zinc/36/42/44/659364244.db2.gz CWBYJFDMEBYNOI-INIZCTEOSA-N 1 1 324.424 3.000 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](N3CC=CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000172931666 659364340 /nfs/dbraw/zinc/36/43/40/659364340.db2.gz YNHUWBXLCKPTHN-KRWDZBQOSA-N 1 1 314.473 3.444 20 10 DGCDMO C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000070171691 660040574 /nfs/dbraw/zinc/04/05/74/660040574.db2.gz GFXMCEMVCDTXPZ-VHSXEESVSA-N 1 1 303.233 3.258 20 10 DGCDMO C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000070171691 660040577 /nfs/dbraw/zinc/04/05/77/660040577.db2.gz GFXMCEMVCDTXPZ-VHSXEESVSA-N 1 1 303.233 3.258 20 10 DGCDMO CCOCCOCC[N@@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000189234388 660108550 /nfs/dbraw/zinc/10/85/50/660108550.db2.gz WQQCPBSGPVRAHL-UHFFFAOYSA-N 1 1 309.450 3.309 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC[C@@H]1O ZINC000091898799 662324074 /nfs/dbraw/zinc/32/40/74/662324074.db2.gz QUKHJZAQZAGYRO-HKUYNNGSSA-N 1 1 302.462 3.270 20 10 DGCDMO COCCC[N@@H+](CCOC)Cc1ccc(N2CCCCC2)cc1 ZINC000092220950 662328520 /nfs/dbraw/zinc/32/85/20/662328520.db2.gz HHZKLWUJHFEMGW-UHFFFAOYSA-N 1 1 320.477 3.162 20 10 DGCDMO Oc1ccccc1C[N@@H+](Cc1cnc2cnccn12)C1CCCC1 ZINC000093319233 662352585 /nfs/dbraw/zinc/35/25/85/662352585.db2.gz MTARERWBIAGOQP-UHFFFAOYSA-N 1 1 322.412 3.380 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCc3cccc(F)c3C2)c1O ZINC000093454259 662355303 /nfs/dbraw/zinc/35/53/03/662355303.db2.gz LSDZWPLSGRDPLT-UHFFFAOYSA-N 1 1 301.361 3.488 20 10 DGCDMO Cc1cc(O)c(CNC[C@@H]2Cc3ccccc3C[NH2+]2)c(Cl)c1 ZINC001579638010 1191983495 /nfs/dbraw/zinc/98/34/95/1191983495.db2.gz NKPUWATYCDSLGA-HNNXBMFYSA-N 1 1 316.832 3.158 20 10 DGCDMO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001620904385 1192570819 /nfs/dbraw/zinc/57/08/19/1192570819.db2.gz BSHAVQHJACQGGG-IEBWSBKVSA-N 1 1 315.505 3.497 20 10 DGCDMO c1cnc([C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C2CC2)nc1 ZINC001332353952 1178427066 /nfs/dbraw/zinc/42/70/66/1178427066.db2.gz VIQAHGHUFODCQS-SFHVURJKSA-N 1 1 308.429 3.318 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@H](c3nccs3)C2)c(O)cc1C ZINC001333828404 1178681574 /nfs/dbraw/zinc/68/15/74/1178681574.db2.gz LKAWIOCBFFYNPO-LBPRGKRZSA-N 1 1 304.415 3.155 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC001335269185 1178882344 /nfs/dbraw/zinc/88/23/44/1178882344.db2.gz CQYPQDIVTIIMQY-NDNKKMJESA-N 1 1 321.442 3.256 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCCC[C@H]1O ZINC001341944718 1179083111 /nfs/dbraw/zinc/08/31/11/1179083111.db2.gz KPYFMDXQPHOADB-PKOBYXMFSA-N 1 1 302.462 3.270 20 10 DGCDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001347236159 1179786106 /nfs/dbraw/zinc/78/61/06/1179786106.db2.gz WNBMRQJNGFUVKJ-RDJZCZTQSA-N 1 1 319.468 3.340 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)Cc2cccc(N(C)C)c2)c(O)c1 ZINC001461929796 1182882070 /nfs/dbraw/zinc/88/20/70/1182882070.db2.gz XZJPAZGEWLSLOG-UHFFFAOYSA-N 1 1 314.429 3.407 20 10 DGCDMO Cc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(O)c1 ZINC001462220279 1182924804 /nfs/dbraw/zinc/92/48/04/1182924804.db2.gz ORYILTIQDDDNLT-UHFFFAOYSA-N 1 1 300.358 3.283 20 10 DGCDMO CC(C)[C@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC001462286984 1182934026 /nfs/dbraw/zinc/93/40/26/1182934026.db2.gz VSUWPACEGMCDES-QGZVFWFLSA-N 1 1 312.404 3.278 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC001462434067 1182953127 /nfs/dbraw/zinc/95/31/27/1182953127.db2.gz BFHQRIBBTGWEOL-CQSZACIVSA-N 1 1 310.388 3.167 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)c(O)c1OC ZINC001462633785 1182977457 /nfs/dbraw/zinc/97/74/57/1182977457.db2.gz JQJZWNYSTUGJTF-OAHLLOKOSA-N 1 1 317.360 3.496 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[C@H](C)Nc1[nH+]cnc2[nH]ccc21 ZINC001472808266 1183684148 /nfs/dbraw/zinc/68/41/48/1183684148.db2.gz MLCWBYFULICRQQ-ZDUSSCGKSA-N 1 1 309.417 3.375 20 10 DGCDMO CC(C)[N@@H+]1CCC[C@@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC001473988416 1183843890 /nfs/dbraw/zinc/84/38/90/1183843890.db2.gz DEKWFYXMIRZUDQ-IBGZPJMESA-N 1 1 315.505 3.497 20 10 DGCDMO CC(C)[N@H+]1CCC[C@@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC001473988416 1183843893 /nfs/dbraw/zinc/84/38/93/1183843893.db2.gz DEKWFYXMIRZUDQ-IBGZPJMESA-N 1 1 315.505 3.497 20 10 DGCDMO CC[NH+](CC)CC[C@@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC001474305085 1183901033 /nfs/dbraw/zinc/90/10/33/1183901033.db2.gz FLTAULBRDRIGNG-KBOKABMXSA-N 1 1 303.494 3.476 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC001474378738 1183912127 /nfs/dbraw/zinc/91/21/27/1183912127.db2.gz GVEYRZGHMLCHQH-LKIHTYOGSA-N 1 1 322.456 3.435 20 10 DGCDMO COC(=O)c1c(C[N@H+]2CCC[C@@H]2C)c2cc(F)ccc2n1C ZINC001474380554 1183913238 /nfs/dbraw/zinc/91/32/38/1183913238.db2.gz UWVLSGGACKMKAT-NSHDSACASA-N 1 1 304.365 3.088 20 10 DGCDMO Cc1ccc2c(c1)nc(C[NH2+]Cc1cc(F)c(F)cc1O)n2C ZINC001474462411 1183925616 /nfs/dbraw/zinc/92/56/16/1183925616.db2.gz BOAYPOLTEUQQOU-UHFFFAOYSA-N 1 1 317.339 3.155 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001474671116 1183958137 /nfs/dbraw/zinc/95/81/37/1183958137.db2.gz RLVLCDJSDFUKFI-KOLCDFICSA-N 1 1 301.814 3.370 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001474671116 1183958145 /nfs/dbraw/zinc/95/81/45/1183958145.db2.gz RLVLCDJSDFUKFI-KOLCDFICSA-N 1 1 301.814 3.370 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@@H]2C[C@@H]2C2CCCC2)ccc1[N+](=O)[O-] ZINC001474755269 1183973382 /nfs/dbraw/zinc/97/33/82/1183973382.db2.gz ISHUAJQLJLPVIX-UONOGXRCSA-N 1 1 320.389 3.225 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001474755033 1183974000 /nfs/dbraw/zinc/97/40/00/1183974000.db2.gz LFGUXFYVHQHZSE-RTBURBONSA-N 1 1 302.462 3.452 20 10 DGCDMO CCC[C@H](C[N@H+]1CCCN(c2ccc(OC)cc2)CC1)OC ZINC001621134627 1193441882 /nfs/dbraw/zinc/44/18/82/1193441882.db2.gz OEVSISAWPVKKHY-GOSISDBHSA-N 1 1 306.450 3.022 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC001560041002 1189270869 /nfs/dbraw/zinc/27/08/69/1189270869.db2.gz FKXRELNAOXNHJO-UHFFFAOYSA-N 1 1 300.377 3.286 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC001560041002 1189270873 /nfs/dbraw/zinc/27/08/73/1189270873.db2.gz FKXRELNAOXNHJO-UHFFFAOYSA-N 1 1 300.377 3.286 20 10 DGCDMO Cc1cc(C[N@H+]2[C@H](C)CC[C@@H]2CO)ccc1N1CCCCC1 ZINC001560104682 1189279765 /nfs/dbraw/zinc/27/97/65/1189279765.db2.gz BYGVIMKUFAKWLD-SJLPKXTDSA-N 1 1 302.462 3.331 20 10 DGCDMO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1(C)C ZINC001560414937 1189325257 /nfs/dbraw/zinc/32/52/57/1189325257.db2.gz RIHJLHISCXWCMT-GFWSLJDESA-N 1 1 301.789 3.334 20 10 DGCDMO Cc1ccc(OCC[N@@H+](C)Cc2cc(F)c(F)cc2O)cc1 ZINC001560721785 1189368137 /nfs/dbraw/zinc/36/81/37/1189368137.db2.gz VQKDLILYKVNGCD-UHFFFAOYSA-N 1 1 307.340 3.490 20 10 DGCDMO Cc1ccc(OCC[N@H+](C)Cc2cc(F)c(F)cc2O)cc1 ZINC001560721785 1189368141 /nfs/dbraw/zinc/36/81/41/1189368141.db2.gz VQKDLILYKVNGCD-UHFFFAOYSA-N 1 1 307.340 3.490 20 10 DGCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C(C)C)ccc2O)C[C@@H]1C ZINC001560950903 1189410396 /nfs/dbraw/zinc/41/03/96/1189410396.db2.gz RODCWCBGEHJNJL-XJKSGUPXSA-N 1 1 305.418 3.147 20 10 DGCDMO CC1(C)CCN(CC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC001621100881 1193802025 /nfs/dbraw/zinc/80/20/25/1193802025.db2.gz XEKMCLOGQKDCFG-UHFFFAOYSA-N 1 1 300.805 3.006 20 10 DGCDMO Cc1cc(O)c(C[NH2+]Cc2ccc3cncn3c2)cc1Cl ZINC001621382555 1193836105 /nfs/dbraw/zinc/83/61/05/1193836105.db2.gz POQHLFVKIFXUDK-UHFFFAOYSA-N 1 1 301.777 3.292 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)ccc1N1CCCCC1 ZINC001642906451 1194952604 /nfs/dbraw/zinc/95/26/04/1194952604.db2.gz RZCBDUPYIXPZBC-FUHWJXTLSA-N 1 1 302.462 3.188 20 10 DGCDMO CCc1ncc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]1 ZINC001646317553 1195222000 /nfs/dbraw/zinc/22/20/00/1195222000.db2.gz KWMDSSHUJVBNDA-UHFFFAOYSA-N 1 1 322.412 3.310 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cc(C)ns2)cc1 ZINC001646720497 1195237120 /nfs/dbraw/zinc/23/71/20/1195237120.db2.gz UKDQTFAGKFVUHG-UHFFFAOYSA-N 1 1 305.447 3.028 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CCC(C)(C)CO2)cc1 ZINC001646717685 1195237219 /nfs/dbraw/zinc/23/72/19/1195237219.db2.gz CVWCVDWXDOQZQT-SFHVURJKSA-N 1 1 320.477 3.268 20 10 DGCDMO CCOCc1cc(CNC[C@H](CC)[NH+]2CCCC2)ccc1OC ZINC001648772777 1195330414 /nfs/dbraw/zinc/33/04/14/1195330414.db2.gz WLCTYBZQEORBJS-SFHVURJKSA-N 1 1 320.477 3.196 20 10 DGCDMO Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cccc(F)c2O)n1 ZINC001651773722 1195507455 /nfs/dbraw/zinc/50/74/55/1195507455.db2.gz PEKFMCNGEUMKDX-HNNXBMFYSA-N 1 1 315.392 3.311 20 10 DGCDMO Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cccc(F)c2O)n1 ZINC001651773722 1195507456 /nfs/dbraw/zinc/50/74/56/1195507456.db2.gz PEKFMCNGEUMKDX-HNNXBMFYSA-N 1 1 315.392 3.311 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@@H+]2CCc3ccccc3[C@@H]2C(N)=O)c1 ZINC001651919541 1195523166 /nfs/dbraw/zinc/52/31/66/1195523166.db2.gz QFDGQCNFVRJKPD-LJQANCHMSA-N 1 1 324.424 3.100 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCc3ccccc3[C@@H]2C(N)=O)c1 ZINC001651919541 1195523170 /nfs/dbraw/zinc/52/31/70/1195523170.db2.gz QFDGQCNFVRJKPD-LJQANCHMSA-N 1 1 324.424 3.100 20 10 DGCDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001652220491 1195564730 /nfs/dbraw/zinc/56/47/30/1195564730.db2.gz CBOUIUCJUHEKFY-HSMVNMDESA-N 1 1 312.404 3.012 20 10 DGCDMO CCOC(=O)C[N@H+](Cc1ccccc1O)CC1CC2(CCC2)C1 ZINC001654805738 1195843475 /nfs/dbraw/zinc/84/34/75/1195843475.db2.gz AICDIRKXUHHGTC-UHFFFAOYSA-N 1 1 317.429 3.338 20 10 DGCDMO CCc1c[nH]c2nc[nH+]c(NCc3ccc(N(C)C)c(F)c3)c12 ZINC001655049445 1195869997 /nfs/dbraw/zinc/86/99/97/1195869997.db2.gz OXIVXAUIPXXHOB-UHFFFAOYSA-N 1 1 313.380 3.289 20 10 DGCDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001655144358 1195882137 /nfs/dbraw/zinc/88/21/37/1195882137.db2.gz PPNBMDHFENRKIB-DOTOQJQBSA-N 1 1 317.477 3.022 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2cccnc2)c1 ZINC001655965688 1195983376 /nfs/dbraw/zinc/98/33/76/1195983376.db2.gz DMPRTDNIPYYWLR-UHFFFAOYSA-N 1 1 307.191 3.148 20 10 DGCDMO CN(C)c1ccc(/C=C\CNCC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001656160157 1196012292 /nfs/dbraw/zinc/01/22/92/1196012292.db2.gz UUIOKOITDJIUKZ-ALCCZGGFSA-N 1 1 315.505 3.477 20 10 DGCDMO CN(C)c1ccc(/C=C\CNCC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001656160157 1196012293 /nfs/dbraw/zinc/01/22/93/1196012293.db2.gz UUIOKOITDJIUKZ-ALCCZGGFSA-N 1 1 315.505 3.477 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCOc1ccc(F)c(F)c1 ZINC001656423475 1196038155 /nfs/dbraw/zinc/03/81/55/1196038155.db2.gz OBMCIWQWFHOWMN-UHFFFAOYSA-N 1 1 315.266 3.117 20 10 DGCDMO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001656963153 1196087832 /nfs/dbraw/zinc/08/78/32/1196087832.db2.gz VAIMLKBMGIKTTO-PKOBYXMFSA-N 1 1 315.505 3.354 20 10 DGCDMO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001656963151 1196087879 /nfs/dbraw/zinc/08/78/79/1196087879.db2.gz VAIMLKBMGIKTTO-IEBWSBKVSA-N 1 1 315.505 3.354 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCN1CCc2ccccc21 ZINC001656984238 1196089031 /nfs/dbraw/zinc/08/90/31/1196089031.db2.gz DKMQFAJWMKOTPQ-UHFFFAOYSA-N 1 1 320.795 3.337 20 10 DGCDMO CN(C)c1ccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)cc1F ZINC001657701720 1196170568 /nfs/dbraw/zinc/17/05/68/1196170568.db2.gz OLKYYPAFHPCYSN-INIZCTEOSA-N 1 1 319.468 3.388 20 10 DGCDMO CN(C)c1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)cc1F ZINC001657701720 1196170572 /nfs/dbraw/zinc/17/05/72/1196170572.db2.gz OLKYYPAFHPCYSN-INIZCTEOSA-N 1 1 319.468 3.388 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC001657855403 1196185049 /nfs/dbraw/zinc/18/50/49/1196185049.db2.gz PJFZEYUVKFFNQR-IBGZPJMESA-N 1 1 302.462 3.452 20 10 DGCDMO CCCOc1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1C ZINC001658176128 1196220973 /nfs/dbraw/zinc/22/09/73/1196220973.db2.gz ZHWJHHUFOMYWBH-KZNAEPCWSA-N 1 1 302.462 3.214 20 10 DGCDMO CCCOc1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1C ZINC001658176128 1196220977 /nfs/dbraw/zinc/22/09/77/1196220977.db2.gz ZHWJHHUFOMYWBH-KZNAEPCWSA-N 1 1 302.462 3.214 20 10 DGCDMO Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC001658410236 1196252984 /nfs/dbraw/zinc/25/29/84/1196252984.db2.gz FUDIAYXBKAYJQI-NVXWUHKLSA-N 1 1 318.804 3.451 20 10 DGCDMO CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001658641767 1196283796 /nfs/dbraw/zinc/28/37/96/1196283796.db2.gz HQWOHJZGXZGMSI-OAHLLOKOSA-N 1 1 318.367 3.381 20 10 DGCDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001658641767 1196283808 /nfs/dbraw/zinc/28/38/08/1196283808.db2.gz HQWOHJZGXZGMSI-OAHLLOKOSA-N 1 1 318.367 3.381 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC001658675770 1196287706 /nfs/dbraw/zinc/28/77/06/1196287706.db2.gz OMRUVLHAGQEBEG-YOEHRIQHSA-N 1 1 319.351 3.368 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC001658675770 1196287708 /nfs/dbraw/zinc/28/77/08/1196287708.db2.gz OMRUVLHAGQEBEG-YOEHRIQHSA-N 1 1 319.351 3.368 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](CCO)CCc2ccccc2)cc1Cl ZINC001659123600 1196347838 /nfs/dbraw/zinc/34/78/38/1196347838.db2.gz CQLMRHLJKVOZPT-UHFFFAOYSA-N 1 1 319.832 3.391 20 10 DGCDMO CC[N@@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)OC)C1CC1 ZINC001659160684 1196354716 /nfs/dbraw/zinc/35/47/16/1196354716.db2.gz NABHLIBWPWYYBQ-UHFFFAOYSA-N 1 1 304.365 3.088 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)ccc1N1CCCCC1 ZINC001659535561 1196393075 /nfs/dbraw/zinc/39/30/75/1196393075.db2.gz AMLRKDQUJCGBTR-LPHOPBHVSA-N 1 1 316.489 3.436 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)c(F)cc1O)[C@@](C)(O)c1ccccc1 ZINC001659577631 1196397343 /nfs/dbraw/zinc/39/73/43/1196397343.db2.gz HFPHYUFGKFUVCI-APPDUMDISA-N 1 1 307.340 3.056 20 10 DGCDMO C[C@@H]([NH2+]Cc1cccc(F)c1O)c1ccc2[nH]c(=O)oc2c1 ZINC001659767643 1196413203 /nfs/dbraw/zinc/41/32/03/1196413203.db2.gz YVXHALVDRSUFEH-SECBINFHSA-N 1 1 302.305 3.229 20 10 DGCDMO CCC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CCC1 ZINC001659915277 1196428270 /nfs/dbraw/zinc/42/82/70/1196428270.db2.gz NTIISOSXAFTBKM-HXUWFJFHSA-N 1 1 315.505 3.497 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@@H+](C)CCNC(=O)OC(C)(C)C)c1 ZINC001659970332 1196433768 /nfs/dbraw/zinc/43/37/68/1196433768.db2.gz WXASNCNFEQKDDE-UHFFFAOYSA-N 1 1 322.449 3.472 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]CCCOc1cccc(F)c1 ZINC001660172987 1196454642 /nfs/dbraw/zinc/45/46/42/1196454642.db2.gz ZIVXOMCLGJZCSK-UHFFFAOYSA-N 1 1 311.303 3.368 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001660413211 1196481000 /nfs/dbraw/zinc/48/10/00/1196481000.db2.gz RNNIEYCXLJXANQ-SFHVURJKSA-N 1 1 305.418 3.397 20 10 DGCDMO CN(C)c1ccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)cc1F ZINC001661170613 1196575670 /nfs/dbraw/zinc/57/56/70/1196575670.db2.gz LEYOMNLBJPJRFG-UHFFFAOYSA-N 1 1 324.403 3.367 20 10 DGCDMO COC(=O)c1c(C[N@H+]2C[C@H](C)C[C@@H]2C)c2cc(F)ccc2n1C ZINC001663591959 1196910001 /nfs/dbraw/zinc/91/00/01/1196910001.db2.gz YCJNATRBAMNENZ-NEPJUHHUSA-N 1 1 318.392 3.334 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+]2CCOCC3(CCCC3)C2)cc1F ZINC001664359689 1196991537 /nfs/dbraw/zinc/99/15/37/1196991537.db2.gz XKAXDKVNFZAYMD-UHFFFAOYSA-N 1 1 324.415 3.423 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCOCC3(CCCC3)C2)cc1F ZINC001664359689 1196991541 /nfs/dbraw/zinc/99/15/41/1196991541.db2.gz XKAXDKVNFZAYMD-UHFFFAOYSA-N 1 1 324.415 3.423 20 10 DGCDMO CCC[C@]1(CO)CCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001664518433 1197008442 /nfs/dbraw/zinc/00/84/42/1197008442.db2.gz FHMOPXZQTPWZGL-SUOMESGTSA-N 1 1 302.462 3.393 20 10 DGCDMO Cc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC(C)C)c(O)c1 ZINC001664640407 1197024247 /nfs/dbraw/zinc/02/42/47/1197024247.db2.gz SGUBZFGPTGZIOL-INIZCTEOSA-N 1 1 320.433 3.190 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@]2(C)CCCS2)cc1 ZINC001665163846 1197104539 /nfs/dbraw/zinc/10/45/39/1197104539.db2.gz GAAWRQRTHFKSDI-KRWDZBQOSA-N 1 1 308.491 3.349 20 10 DGCDMO COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC001665408727 1197132549 /nfs/dbraw/zinc/13/25/49/1197132549.db2.gz YWVKWGREKSLWFH-IAGOWNOFSA-N 1 1 321.461 3.434 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CCCCCCNC(=O)CC2)c1 ZINC001665429418 1197136798 /nfs/dbraw/zinc/13/67/98/1197136798.db2.gz NWWSVRQADRLMMB-UHFFFAOYSA-N 1 1 318.461 3.398 20 10 DGCDMO C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001593267701 994590662 /nfs/dbraw/zinc/59/06/62/994590662.db2.gz RAPALNWJVLTPSJ-ZIAGYGMSSA-N 1 1 320.433 3.006 20 10 DGCDMO C[C@@]1(O)CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237077718 1099959741 /nfs/dbraw/zinc/95/97/41/1099959741.db2.gz JTXPMZSUVSOPIQ-CQSZACIVSA-N 1 1 304.217 3.436 20 10 DGCDMO C[C@H]1C[C@H](C)C[NH+](CCCNCc2ccc3c(c2)CCCO3)C1 ZINC001648815022 1081928462 /nfs/dbraw/zinc/92/84/62/1081928462.db2.gz YRPBFFCZGFEMEF-IRXDYDNUSA-N 1 1 316.489 3.469 20 10 DGCDMO CN1CCOc2cc(C[N@H+]3CCc4ccsc4C3)ccc21 ZINC001141143312 1083361122 /nfs/dbraw/zinc/36/11/22/1083361122.db2.gz ULYYRHOIRZBYSY-UHFFFAOYSA-N 1 1 300.427 3.135 20 10 DGCDMO Oc1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC001181845339 1083556780 /nfs/dbraw/zinc/55/67/80/1083556780.db2.gz UBULGKAUIPUIRZ-RDJZCZTQSA-N 1 1 318.804 3.451 20 10 DGCDMO Cc1ccccc1-n1nccc1C[NH2+]Cc1c(O)cccc1F ZINC001183918957 1084067021 /nfs/dbraw/zinc/06/70/21/1084067021.db2.gz DJYXBZXXCAFREG-UHFFFAOYSA-N 1 1 311.360 3.315 20 10 DGCDMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1cc(F)cc(F)c1[O-] ZINC001184153998 1084108256 /nfs/dbraw/zinc/10/82/56/1084108256.db2.gz NFVCRSHBIOMPLO-UHFFFAOYSA-N 1 1 315.360 3.224 20 10 DGCDMO COc1cc(C)c(C[NH2+]Cc2nc(C(C)(C)C)co2)c(O)c1 ZINC001184250718 1084136799 /nfs/dbraw/zinc/13/67/99/1084136799.db2.gz IBGKAEVNKHQTML-UHFFFAOYSA-N 1 1 304.390 3.285 20 10 DGCDMO Cc1noc([C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C(C)C)n1 ZINC001184440742 1084175120 /nfs/dbraw/zinc/17/51/20/1084175120.db2.gz UVBSDNUJMIHTCQ-MRXNPFEDSA-N 1 1 302.422 3.239 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1O ZINC001203602374 1084290979 /nfs/dbraw/zinc/29/09/79/1084290979.db2.gz RNLONMVXEVXVKH-CABCVRRESA-N 1 1 303.402 3.125 20 10 DGCDMO Cc1ccn2c(C[N@H+](C)Cc3ccc(N(C)C)cc3)cnc2c1 ZINC000155176368 1084726618 /nfs/dbraw/zinc/72/66/18/1084726618.db2.gz NVWAFNCCNACGKP-UHFFFAOYSA-N 1 1 308.429 3.341 20 10 DGCDMO CC[N@H+]1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000155348796 1084772121 /nfs/dbraw/zinc/77/21/21/1084772121.db2.gz 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1088711825 /nfs/dbraw/zinc/71/18/25/1088711825.db2.gz QJICGBZQINHIKP-OLZOCXBDSA-N 1 1 303.233 3.401 20 10 DGCDMO Cc1cc(C)c(CNc2nc(N3CCCC3)c(C)c[nH+]2)c(O)c1 ZINC001160807766 1088971958 /nfs/dbraw/zinc/97/19/58/1088971958.db2.gz CHLUJKBWJXQZRL-UHFFFAOYSA-N 1 1 312.417 3.320 20 10 DGCDMO CC(C)[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236470864 1089209642 /nfs/dbraw/zinc/20/96/42/1089209642.db2.gz RJNWMBSRFGYTTG-CYBMUJFWSA-N 1 1 300.805 3.147 20 10 DGCDMO CC(C)[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236470864 1089209668 /nfs/dbraw/zinc/20/96/68/1089209668.db2.gz RJNWMBSRFGYTTG-CYBMUJFWSA-N 1 1 300.805 3.147 20 10 DGCDMO C[C@@H]1CO[C@@H]2C[N@H+](Cc3c(O)ccc(Cl)c3Cl)C[C@H]12 ZINC001237083221 1090284232 /nfs/dbraw/zinc/28/42/32/1090284232.db2.gz AABPMNDOCJRPMN-JRKPZEMJSA-N 1 1 302.201 3.166 20 10 DGCDMO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3Cl)C[C@H]12 ZINC001237083221 1090284236 /nfs/dbraw/zinc/28/42/36/1090284236.db2.gz AABPMNDOCJRPMN-JRKPZEMJSA-N 1 1 302.201 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DGCDMO Cc1cc(C[N@H+]2CCC3(C2)OCCO3)c(C)n1-c1ccccc1 ZINC001137858088 1095770198 /nfs/dbraw/zinc/77/01/98/1095770198.db2.gz WJXDUWOIJRJLDF-UHFFFAOYSA-N 1 1 312.413 3.043 20 10 DGCDMO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001117630219 1095786932 /nfs/dbraw/zinc/78/69/32/1095786932.db2.gz PNDDIFRFKILZNM-XLIONFOSSA-N 1 1 313.489 3.345 20 10 DGCDMO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001117630219 1095786942 /nfs/dbraw/zinc/78/69/42/1095786942.db2.gz PNDDIFRFKILZNM-XLIONFOSSA-N 1 1 313.489 3.345 20 10 DGCDMO Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)n1 ZINC001138130777 1095900476 /nfs/dbraw/zinc/90/04/76/1095900476.db2.gz HVKBQDJSIAEWKI-OAHLLOKOSA-N 1 1 316.376 3.278 20 10 DGCDMO Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cccc(F)c3O)C2)n1 ZINC001138130777 1095900484 /nfs/dbraw/zinc/90/04/84/1095900484.db2.gz HVKBQDJSIAEWKI-OAHLLOKOSA-N 1 1 316.376 3.278 20 10 DGCDMO Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cccc(F)c3O)C2)n1 ZINC001138130777 1095900486 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COc1ccc(N2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c(OC)c1 ZINC001276995048 1096280276 /nfs/dbraw/zinc/28/02/76/1096280276.db2.gz WJPDIRLEUMZEOH-GOSISDBHSA-N 1 1 304.434 3.016 20 10 DGCDMO CCOC(=O)C1(C)CCC([N@@H+](C)Cc2ccccc2O)CC1 ZINC001171956715 1097004748 /nfs/dbraw/zinc/00/47/48/1097004748.db2.gz LWSJKMFMZRGFDX-UHFFFAOYSA-N 1 1 305.418 3.336 20 10 DGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172242104 1097089305 /nfs/dbraw/zinc/08/93/05/1097089305.db2.gz NKECUPVBWIJHHS-VHRNVKJDSA-N 1 1 324.424 3.031 20 10 DGCDMO CC[C@@H](C)OCC[C@@H](C)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001172347192 1097120352 /nfs/dbraw/zinc/12/03/52/1097120352.db2.gz LJBWNFOBRPSKHC-ZIAGYGMSSA-N 1 1 307.434 3.440 20 10 DGCDMO C[N@H+]1CCC2(CN(Cc3cc(Cl)c(C(C)(C)C)cc3O)C2)C1 ZINC001277408362 1097362142 /nfs/dbraw/zinc/36/21/42/1097362142.db2.gz PGZHWCFFJBDNAF-UHFFFAOYSA-N 1 1 322.880 3.481 20 10 DGCDMO CCOC(=O)[C@H]1CC12CCC([N@@H+](C)Cc1ccccc1O)CC2 ZINC001173617989 1097483533 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Cc1cc(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1N(C)C ZINC001174723528 1097819918 /nfs/dbraw/zinc/81/99/18/1097819918.db2.gz CLXUGLLFUMVKGF-DYVFJYSZSA-N 1 1 312.404 3.306 20 10 DGCDMO Cc1cc(C)c(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c(O)c1 ZINC001231842227 1097860314 /nfs/dbraw/zinc/86/03/14/1097860314.db2.gz LBNVHXZJDDEWHP-IBGZPJMESA-N 1 1 310.441 3.498 20 10 DGCDMO Cc1cc(C)c(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c(O)c1 ZINC001231849951 1097863514 /nfs/dbraw/zinc/86/35/14/1097863514.db2.gz XPXDQSWFLPQORM-UHFFFAOYSA-N 1 1 313.397 3.369 20 10 DGCDMO CCOC(=O)C[C@@H]1CC[N@@H+](Cc2c(C)cc(C)cc2O)C[C@H]1C ZINC001231848359 1097863650 /nfs/dbraw/zinc/86/36/50/1097863650.db2.gz GVWYVVFINMHXSR-CVEARBPZSA-N 1 1 319.445 3.420 20 10 DGCDMO CN1CC[N@@H+](Cc2ccc3ccccc3c2O)Cc2cccnc21 ZINC001231880351 1097877318 /nfs/dbraw/zinc/87/73/18/1097877318.db2.gz MJYIPSCPNAHRKC-UHFFFAOYSA-N 1 1 319.408 3.392 20 10 DGCDMO O=c1[nH]ccc2c1CC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC001231881725 1097877688 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DGCDMO Oc1cc(O)c(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1Cl ZINC001232269241 1097988656 /nfs/dbraw/zinc/98/86/56/1097988656.db2.gz YQLONDRLAUKHOQ-NSHDSACASA-N 1 1 304.777 3.136 20 10 DGCDMO COC(=O)c1c(C[N@@H+](C)CCC2CC2)c2ccccc2n1C ZINC001232405621 1098029802 /nfs/dbraw/zinc/02/98/02/1098029802.db2.gz NXQQQCTZRMOKJI-UHFFFAOYSA-N 1 1 300.402 3.197 20 10 DGCDMO COC(=O)c1c(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c2ccccc2n1C ZINC001232405395 1098030220 /nfs/dbraw/zinc/03/02/20/1098030220.db2.gz JWVAAINWRWLPKL-GASCZTMLSA-N 1 1 312.413 3.053 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCc3nc(Cl)ccc3C2)c(O)c1 ZINC001232840007 1098150432 /nfs/dbraw/zinc/15/04/32/1098150432.db2.gz ZVJUQWUEOWDVSD-UHFFFAOYSA-N 1 1 317.820 3.065 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCc3nc(Cl)ccc3C2)c(O)c1 ZINC001232840007 1098150433 /nfs/dbraw/zinc/15/04/33/1098150433.db2.gz ZVJUQWUEOWDVSD-UHFFFAOYSA-N 1 1 317.820 3.065 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c(O)c1 ZINC001232840006 1098150675 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CC[N@@H+](CCn1ccnc1)Cc1cc(C(C)(C)C)ccc1O ZINC001233286820 1098276450 /nfs/dbraw/zinc/27/64/50/1098276450.db2.gz JUQKBXDXZBOXQI-UHFFFAOYSA-N 1 1 301.434 3.408 20 10 DGCDMO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286270 1098276874 /nfs/dbraw/zinc/27/68/74/1098276874.db2.gz MRFLYHDDPFYAMZ-UKRRQHHQSA-N 1 1 319.445 3.321 20 10 DGCDMO CCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C1CCOCC1 ZINC001233290527 1098277238 /nfs/dbraw/zinc/27/72/38/1098277238.db2.gz HYLCPLBJHAPRKE-UHFFFAOYSA-N 1 1 313.825 3.445 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCc3cccc(O)c3C2)c1O ZINC001233290762 1098277998 /nfs/dbraw/zinc/27/79/98/1098277998.db2.gz UNNZAMXSEILRMG-UHFFFAOYSA-N 1 1 319.788 3.318 20 10 DGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001233334567 1098293184 /nfs/dbraw/zinc/29/31/84/1098293184.db2.gz LYCJCACPLODIKT-ZDUSSCGKSA-N 1 1 323.314 3.463 20 10 DGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001233334567 1098293190 /nfs/dbraw/zinc/29/31/90/1098293190.db2.gz LYCJCACPLODIKT-ZDUSSCGKSA-N 1 1 323.314 3.463 20 10 DGCDMO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001233336357 1098293908 /nfs/dbraw/zinc/29/39/08/1098293908.db2.gz JBNSUNZSJIQZJW-ZDUSSCGKSA-N 1 1 323.314 3.463 20 10 DGCDMO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001233336357 1098293911 /nfs/dbraw/zinc/29/39/11/1098293911.db2.gz JBNSUNZSJIQZJW-ZDUSSCGKSA-N 1 1 323.314 3.463 20 10 DGCDMO COc1cc(F)c(C[N@@H+]2CCc3cccc(O)c3C2)cc1F ZINC001233344040 1098296022 /nfs/dbraw/zinc/29/60/22/1098296022.db2.gz LFCBXDOBHLLEJN-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO COc1cc(F)c(C[N@H+]2CCc3cccc(O)c3C2)cc1F ZINC001233344040 1098296025 /nfs/dbraw/zinc/29/60/25/1098296025.db2.gz LFCBXDOBHLLEJN-UHFFFAOYSA-N 1 1 305.324 3.237 20 10 DGCDMO C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CCC[C@@H]1O ZINC001233415638 1098321999 /nfs/dbraw/zinc/32/19/99/1098321999.db2.gz DFYIHGYFCYTHGJ-GWCFXTLKSA-N 1 1 303.324 3.004 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CCC[C@@H]1O ZINC001233415638 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317.364 3.171 20 10 DGCDMO Cc1cccc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c1O ZINC000272640848 130047828 /nfs/dbraw/zinc/04/78/28/130047828.db2.gz OHWPAIIBNJRQBM-UHFFFAOYSA-N 1 1 319.408 3.445 20 10 DGCDMO Cc1cccc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c1O ZINC000272640848 130047829 /nfs/dbraw/zinc/04/78/29/130047829.db2.gz OHWPAIIBNJRQBM-UHFFFAOYSA-N 1 1 319.408 3.445 20 10 DGCDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000272659795 130050795 /nfs/dbraw/zinc/05/07/95/130050795.db2.gz RFZCSXFBFXGTMC-KGLIPLIRSA-N 1 1 320.433 3.127 20 10 DGCDMO CN(Cc1cccs1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000272837451 130067071 /nfs/dbraw/zinc/06/70/71/130067071.db2.gz NGEKHDPMEUUFFW-UHFFFAOYSA-N 1 1 302.443 3.217 20 10 DGCDMO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)c(O)c1 ZINC000273537011 130133348 /nfs/dbraw/zinc/13/33/48/130133348.db2.gz XPYYPFUAFJEDBV-ABAIWWIYSA-N 1 1 307.340 3.363 20 10 DGCDMO O=C1OCC[C@@]12CCC[N@@H+]2Cc1cc(-c2ccccc2)ccc1O ZINC000275155235 130295653 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Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000191256121 432240036 /nfs/dbraw/zinc/24/00/36/432240036.db2.gz FCOXRRBXMZOCPV-SNVBAGLBSA-N 1 1 309.772 3.287 20 10 DGCDMO CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000287534714 288040308 /nfs/dbraw/zinc/04/03/08/288040308.db2.gz PCOKPDIZORSUQK-PBHICJAKSA-N 1 1 324.440 3.073 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCc1ccccn1)C[C@H]1CCCO1 ZINC000111232946 431198535 /nfs/dbraw/zinc/19/85/35/431198535.db2.gz MZFNTZPHFUWAEA-GOSISDBHSA-N 1 1 312.413 3.011 20 10 DGCDMO CC[N@@H+](CCCOC)Cc1cc(Br)ccc1O ZINC000076118520 431526079 /nfs/dbraw/zinc/52/60/79/431526079.db2.gz DXMKUUPDZCCGGQ-UHFFFAOYSA-N 1 1 302.212 3.013 20 10 DGCDMO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571553 431608648 /nfs/dbraw/zinc/60/86/48/431608648.db2.gz IAAUUUXFPMFCPE-MRXNPFEDSA-N 1 1 317.477 3.023 20 10 DGCDMO CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571553 431608656 /nfs/dbraw/zinc/60/86/56/431608656.db2.gz IAAUUUXFPMFCPE-MRXNPFEDSA-N 1 1 317.477 3.023 20 10 DGCDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092064102 431907533 /nfs/dbraw/zinc/90/75/33/431907533.db2.gz GOUPQXYMPCHYOM-SFHVURJKSA-N 1 1 320.502 3.241 20 10 DGCDMO CCN(CC)c1ccc(CNC2CC[NH+](C3CC3)CC2)cc1F ZINC000152040804 432300055 /nfs/dbraw/zinc/30/00/55/432300055.db2.gz YRQYWMWHIWBBPQ-UHFFFAOYSA-N 1 1 319.468 3.388 20 10 DGCDMO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000271052367 432323435 /nfs/dbraw/zinc/32/34/35/432323435.db2.gz WXGVUAAPHNVGAQ-GOSISDBHSA-N 1 1 324.424 3.112 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C)CCc2ccccn2)c1O ZINC000184745035 432428956 /nfs/dbraw/zinc/42/89/56/432428956.db2.gz NCAXFZJMKRWLKW-UHFFFAOYSA-N 1 1 306.793 3.124 20 10 DGCDMO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1cc(Cl)c(Cl)cc1O ZINC000192927423 432429695 /nfs/dbraw/zinc/42/96/95/432429695.db2.gz MNBXYAFRWKAIPN-ISVAXAHUSA-N 1 1 322.257 3.218 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000184972765 432451298 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Cc1cccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1O ZINC000185581109 432511239 /nfs/dbraw/zinc/51/12/39/432511239.db2.gz XFCNVXFDGLVXGK-HNNXBMFYSA-N 1 1 305.418 3.254 20 10 DGCDMO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185670708 432522850 /nfs/dbraw/zinc/52/28/50/432522850.db2.gz ICXQCLCCOJIFPD-GXTWGEPZSA-N 1 1 314.857 3.053 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000155187291 432542204 /nfs/dbraw/zinc/54/22/04/432542204.db2.gz OQVAQMAIVJGPAN-QFIPXVFZSA-N 1 1 316.470 3.122 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000155187191 432542226 /nfs/dbraw/zinc/54/22/26/432542226.db2.gz OQVAQMAIVJGPAN-JOCHJYFZSA-N 1 1 316.470 3.122 20 10 DGCDMO CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273604898 432617413 /nfs/dbraw/zinc/61/74/13/432617413.db2.gz SZXDLRBZOVLKPJ-KGLIPLIRSA-N 1 1 321.421 3.071 20 10 DGCDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000276277837 432791449 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CCc1nnc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)s1 ZINC000289895479 432979554 /nfs/dbraw/zinc/97/95/54/432979554.db2.gz SXVOAOFTUPZODN-UHFFFAOYSA-N 1 1 316.474 3.381 20 10 DGCDMO CCCC[N@@H+](CCCO)Cc1cc(Cl)cc(OC)c1O ZINC000289403516 432955027 /nfs/dbraw/zinc/95/50/27/432955027.db2.gz GVASOUWKOSTZDO-UHFFFAOYSA-N 1 1 301.814 3.039 20 10 DGCDMO CN(C)c1ccc(CN[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000290201595 433011500 /nfs/dbraw/zinc/01/15/00/433011500.db2.gz USKDMYNQYPTTEN-IBGZPJMESA-N 1 1 315.436 3.284 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@]2(C)CCCO)c1O ZINC000290301377 433028984 /nfs/dbraw/zinc/02/89/84/433028984.db2.gz BHOFAPFJPDXNKK-MRXNPFEDSA-N 1 1 313.825 3.181 20 10 DGCDMO CCCn1ccnc1CCC[N@@H+](C)Cc1cccc(OC)c1O ZINC000290471183 433060359 /nfs/dbraw/zinc/06/03/59/433060359.db2.gz NMZHZPDWKPPCRC-UHFFFAOYSA-N 1 1 317.433 3.072 20 10 DGCDMO CCCOc1ccc(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)c(O)c1 ZINC000290995178 433216100 /nfs/dbraw/zinc/21/61/00/433216100.db2.gz VMEFAQHNXNHOFJ-MRXNPFEDSA-N 1 1 315.417 3.133 20 10 DGCDMO OC[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccccc2O)C1 ZINC000291331349 433232437 /nfs/dbraw/zinc/23/24/37/433232437.db2.gz UPNRCGLLVVMOMT-HXUWFJFHSA-N 1 1 311.425 3.209 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000291542626 433262571 /nfs/dbraw/zinc/26/25/71/433262571.db2.gz LKLVJNYKPSCJCE-IRXDYDNUSA-N 1 1 305.418 3.180 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2ccnn2C)c1 ZINC000281349521 433290120 /nfs/dbraw/zinc/29/01/20/433290120.db2.gz UACIYINAGSYULX-KRWDZBQOSA-N 1 1 315.417 3.252 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000281575823 433312848 /nfs/dbraw/zinc/31/28/48/433312848.db2.gz CWESIHPTQDEOSA-YGRLFVJLSA-N 1 1 311.809 3.248 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1O ZINC000375301379 433418287 /nfs/dbraw/zinc/41/82/87/433418287.db2.gz GHFHITNXWRFDKY-MRXNPFEDSA-N 1 1 311.809 3.057 20 10 DGCDMO CSC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000292495642 433566148 /nfs/dbraw/zinc/56/61/48/433566148.db2.gz UBCFDDAACILUNO-GFCCVEGCSA-N 1 1 311.422 3.309 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000292802131 433598857 /nfs/dbraw/zinc/59/88/57/433598857.db2.gz NRPGJYJAQPNBHQ-MRXNPFEDSA-N 1 1 305.418 3.039 20 10 DGCDMO C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000292881518 433602109 /nfs/dbraw/zinc/60/21/09/433602109.db2.gz XRIMDZSVWBQXDN-OAHLLOKOSA-N 1 1 315.244 3.227 20 10 DGCDMO C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000292881518 433602114 /nfs/dbraw/zinc/60/21/14/433602114.db2.gz XRIMDZSVWBQXDN-OAHLLOKOSA-N 1 1 315.244 3.227 20 10 DGCDMO C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000292881518 433602124 /nfs/dbraw/zinc/60/21/24/433602124.db2.gz XRIMDZSVWBQXDN-OAHLLOKOSA-N 1 1 315.244 3.227 20 10 DGCDMO C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000292881518 433602128 /nfs/dbraw/zinc/60/21/28/433602128.db2.gz XRIMDZSVWBQXDN-OAHLLOKOSA-N 1 1 315.244 3.227 20 10 DGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000293560535 433781573 /nfs/dbraw/zinc/78/15/73/433781573.db2.gz GAVDREBGPQNDPS-INIZCTEOSA-N 1 1 307.821 3.437 20 10 DGCDMO CC[C@@H]([NH2+]CC1(COC)CCOCC1)c1ccc(F)cc1O ZINC000293788141 433872774 /nfs/dbraw/zinc/87/27/74/433872774.db2.gz UFXNQDBFXSTZTD-OAHLLOKOSA-N 1 1 311.397 3.015 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)cc1C ZINC000376938589 433842219 /nfs/dbraw/zinc/84/22/19/433842219.db2.gz ZVJWQRBKWFMJLV-HXUWFJFHSA-N 1 1 322.408 3.105 20 10 DGCDMO Cc1cc(C2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)n[nH]1 ZINC000293775830 433863968 /nfs/dbraw/zinc/86/39/68/433863968.db2.gz LGMVSWHQSUWESQ-UHFFFAOYSA-N 1 1 312.461 3.472 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000294009221 433959316 /nfs/dbraw/zinc/95/93/16/433959316.db2.gz UCSPHKUIFVWBNR-OAHLLOKOSA-N 1 1 309.768 3.398 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1O ZINC000377834122 434017245 /nfs/dbraw/zinc/01/72/45/434017245.db2.gz JEKZWTZMFQFTOX-HOTGVXAUSA-N 1 1 319.445 3.430 20 10 DGCDMO COC1CCN(c2ccc(C[N@@H+]3CC=C(C)CC3)cc2)CC1 ZINC000294877468 434149389 /nfs/dbraw/zinc/14/93/89/434149389.db2.gz DWNIHBPRMSLVPF-UHFFFAOYSA-N 1 1 300.446 3.454 20 10 DGCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000294887908 434151073 /nfs/dbraw/zinc/15/10/73/434151073.db2.gz WDUBDKOLWZFUHU-ZBFHGGJFSA-N 1 1 318.461 3.457 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C)[C@@H](CO)c2ccccc2)c1O ZINC000294959185 434155437 /nfs/dbraw/zinc/15/54/37/434155437.db2.gz DQAYXRDXGRPUOZ-HNNXBMFYSA-N 1 1 321.804 3.220 20 10 DGCDMO Cc1[nH+]ccn1-c1ccc(NCc2ccc(N(C)C)cc2)cn1 ZINC000320108776 434234758 /nfs/dbraw/zinc/23/47/58/434234758.db2.gz WLOJFLYDVWMIGE-UHFFFAOYSA-N 1 1 307.401 3.254 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1O ZINC000367687360 434554842 /nfs/dbraw/zinc/55/48/42/434554842.db2.gz QJOVPEISUHOHCS-CABCVRRESA-N 1 1 305.418 3.039 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1OC ZINC000160383223 295004441 /nfs/dbraw/zinc/00/44/41/295004441.db2.gz IVZFWFNBTRBSSD-SUMWQHHRSA-N 1 1 323.458 3.269 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cc2c(cc1O)CCCC2 ZINC000370397824 434611146 /nfs/dbraw/zinc/61/11/46/434611146.db2.gz OHHSYNIFKDYKCA-LRDDRELGSA-N 1 1 311.429 3.202 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(F)cc1O ZINC000370372914 434611475 /nfs/dbraw/zinc/61/14/75/434611475.db2.gz GDHOZIJDSWMHQU-YVEFUNNKSA-N 1 1 300.377 3.369 20 10 DGCDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000372433485 434826803 /nfs/dbraw/zinc/82/68/03/434826803.db2.gz JFYJZFNIIRALJH-LBPRGKRZSA-N 1 1 305.809 3.159 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC000184695827 533952932 /nfs/dbraw/zinc/95/29/32/533952932.db2.gz RYDHCBMZDNAAAC-BXUZGUMPSA-N 1 1 311.809 3.055 20 10 DGCDMO CC(C)=CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158079610 519400428 /nfs/dbraw/zinc/40/04/28/519400428.db2.gz BDSCAHXYDSHPPT-HNNXBMFYSA-N 1 1 322.836 3.092 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1nccs1 ZINC000157073855 521690887 /nfs/dbraw/zinc/69/08/87/521690887.db2.gz PKQBNTTXSDQDNS-GFCCVEGCSA-N 1 1 319.430 3.088 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)C[C@H](C)c2nccs2)cc1OC ZINC000182849198 522769872 /nfs/dbraw/zinc/76/98/72/522769872.db2.gz AZYLFABWXKRSIU-NSHDSACASA-N 1 1 322.430 3.101 20 10 DGCDMO Cn1cc(CC[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000265855232 522984971 /nfs/dbraw/zinc/98/49/71/522984971.db2.gz QSINOEWOAWVTAV-UHFFFAOYSA-N 1 1 312.461 3.085 20 10 DGCDMO Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1O ZINC000180765603 524408632 /nfs/dbraw/zinc/40/86/32/524408632.db2.gz QQMLAXWETUJOLO-QAPCUYQASA-N 1 1 300.446 3.149 20 10 DGCDMO Cc1cccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1O ZINC000180765603 524408635 /nfs/dbraw/zinc/40/86/35/524408635.db2.gz QQMLAXWETUJOLO-QAPCUYQASA-N 1 1 300.446 3.149 20 10 DGCDMO C[C@H](O)CC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183082093 525721931 /nfs/dbraw/zinc/72/19/31/525721931.db2.gz 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C[N@H+](CC(=O)OC(C)(C)C)Cc1c(O)ccc2ccccc21 ZINC000152128546 620493672 /nfs/dbraw/zinc/49/36/72/620493672.db2.gz MTKUOEORWOQHLR-UHFFFAOYSA-N 1 1 301.386 3.319 20 10 DGCDMO C[N@@H+](CC(=O)OC(C)(C)C)Cc1c(O)ccc2ccccc21 ZINC000152128546 620493673 /nfs/dbraw/zinc/49/36/73/620493673.db2.gz MTKUOEORWOQHLR-UHFFFAOYSA-N 1 1 301.386 3.319 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc(F)c2)c1 ZINC000756382465 620969381 /nfs/dbraw/zinc/96/93/81/620969381.db2.gz DBNBFRYJTMEMSP-NSHDSACASA-N 1 1 303.333 3.169 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)cc1F ZINC000857061898 621053048 /nfs/dbraw/zinc/05/30/48/621053048.db2.gz WIQPMBMSOPGPBK-HOCLYGCPSA-N 1 1 308.441 3.122 20 10 DGCDMO COc1cccc(O)c1C[N@H+](C)Cc1c(C)cc(C)nc1OC ZINC000857068877 621054389 /nfs/dbraw/zinc/05/43/89/621054389.db2.gz IACCICNZRMQWGP-UHFFFAOYSA-N 1 1 316.401 3.053 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](C)Cc1c(C)cc(C)nc1OC ZINC000857068877 621054390 /nfs/dbraw/zinc/05/43/90/621054390.db2.gz 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CN(C)c1cc(F)c(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)cc1F ZINC000862388012 621583069 /nfs/dbraw/zinc/58/30/69/621583069.db2.gz UFCMLBBNQCPDLB-CYBMUJFWSA-N 1 1 312.404 3.014 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1F ZINC000862387484 621583170 /nfs/dbraw/zinc/58/31/70/621583170.db2.gz NMCZOIOWKDFPRG-QGZVFWFLSA-N 1 1 310.388 3.033 20 10 DGCDMO Oc1ccc(Br)cc1Cn1c[nH+]c2c1CCCC2 ZINC000862430903 621588637 /nfs/dbraw/zinc/58/86/37/621588637.db2.gz FASXFINAQFFZIP-UHFFFAOYSA-N 1 1 307.191 3.278 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)cc1C ZINC000862482642 621594301 /nfs/dbraw/zinc/59/43/01/621594301.db2.gz KMGVHUXILNJDNV-FQEVSTJZSA-N 1 1 311.425 3.493 20 10 DGCDMO CCc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000862540326 621598493 /nfs/dbraw/zinc/59/84/93/621598493.db2.gz CKUKRAIBSKLUAB-CYBMUJFWSA-N 1 1 322.449 3.300 20 10 DGCDMO COCC(C)(C)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000756077723 621614129 /nfs/dbraw/zinc/61/41/29/621614129.db2.gz 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CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(OC)cc(C)n1 ZINC000757087991 621686121 /nfs/dbraw/zinc/68/61/21/621686121.db2.gz SFOVTHSNACTOCX-UHFFFAOYSA-N 1 1 313.445 3.487 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)ccc1N(C)C ZINC000839638305 621706751 /nfs/dbraw/zinc/70/67/51/621706751.db2.gz ZMWCKTOKFRDRGB-ICSRJNTNSA-N 1 1 310.441 3.369 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000757865459 621743851 /nfs/dbraw/zinc/74/38/51/621743851.db2.gz GPKIGEWQFRMYRT-WBVHZDCISA-N 1 1 307.434 3.020 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cn(C3CC3)cn2)cc1F ZINC000865456361 621925646 /nfs/dbraw/zinc/92/56/46/621925646.db2.gz MFEWGNIVFFSAQX-UHFFFAOYSA-N 1 1 316.424 3.493 20 10 DGCDMO C[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)CC1(C)OCCO1 ZINC000865674806 621976305 /nfs/dbraw/zinc/97/63/05/621976305.db2.gz ZPMCKFCXTBDOOV-SNVBAGLBSA-N 1 1 317.788 3.064 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCc3cccc(C)c3C2)cc1OC ZINC000762088990 622052240 /nfs/dbraw/zinc/05/22/40/622052240.db2.gz WOJFTNDVCJMXNY-UHFFFAOYSA-N 1 1 313.397 3.276 20 10 DGCDMO Cc1noc(CCC[N@@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000763544500 622151775 /nfs/dbraw/zinc/15/17/75/622151775.db2.gz WQWULDJNGONJOM-UHFFFAOYSA-N 1 1 315.417 3.461 20 10 DGCDMO Cc1cc(C[NH2+]Cc2ccn(C)n2)c(C)n1-c1cccc(C)c1 ZINC000765787493 622287409 /nfs/dbraw/zinc/28/74/09/622287409.db2.gz MDTVDYCAPSASMX-UHFFFAOYSA-N 1 1 308.429 3.426 20 10 DGCDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)C3CCC3)cc2F)CC1 ZINC000765853419 622291189 /nfs/dbraw/zinc/29/11/89/622291189.db2.gz RVIGVFNJDLXURC-HNNXBMFYSA-N 1 1 319.468 3.246 20 10 DGCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)C3CCC3)cc2F)CC1 ZINC000765853420 622291232 /nfs/dbraw/zinc/29/12/32/622291232.db2.gz RVIGVFNJDLXURC-OAHLLOKOSA-N 1 1 319.468 3.246 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)Cc2c(O)cccc2OC)cc1 ZINC000768162876 622442841 /nfs/dbraw/zinc/44/28/41/622442841.db2.gz KZGMMURTGMEPCH-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1F ZINC000768198559 622444820 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YPDLTVJZXJHDGD-QGZVFWFLSA-N 1 1 313.397 3.444 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CN2CCCCC2)cc1 ZINC000768936786 622486718 /nfs/dbraw/zinc/48/67/18/622486718.db2.gz HQQOXSDSMNUOGV-IBGZPJMESA-N 1 1 301.478 3.203 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2CN2CCCCC2)cc1 ZINC000768936786 622486721 /nfs/dbraw/zinc/48/67/21/622486721.db2.gz HQQOXSDSMNUOGV-IBGZPJMESA-N 1 1 301.478 3.203 20 10 DGCDMO COc1cccc(O)c1C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000769022277 622492981 /nfs/dbraw/zinc/49/29/81/622492981.db2.gz KFDMWZYBPLIYKR-IBGZPJMESA-N 1 1 313.397 3.147 20 10 DGCDMO Cc1cc(O)c(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)cc1C ZINC000769328831 622518279 /nfs/dbraw/zinc/51/82/79/622518279.db2.gz COUFWXGJUUHJQS-SFHVURJKSA-N 1 1 324.424 3.246 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c(O)c1 ZINC000769424929 622527167 /nfs/dbraw/zinc/52/71/67/622527167.db2.gz AJNIUSMARUSOKG-GOSISDBHSA-N 1 1 315.413 3.346 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCc3cccc(F)c3C2)c(O)c1 ZINC000769436775 622527736 /nfs/dbraw/zinc/52/77/36/622527736.db2.gz YBVVYHSBQDJITO-UHFFFAOYSA-N 1 1 301.361 3.488 20 10 DGCDMO CCOc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c(O)c1 ZINC000769467703 622530030 /nfs/dbraw/zinc/53/00/30/622530030.db2.gz ZRUYYRGGLIYSOG-QGZVFWFLSA-N 1 1 318.461 3.241 20 10 DGCDMO CCC[N@@H+](Cc1c(O)cccc1OC)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000769470250 622530873 /nfs/dbraw/zinc/53/08/73/622530873.db2.gz JPDLVTXSNZHWRT-MORSLUCNSA-N 1 1 319.445 3.426 20 10 DGCDMO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000769514728 622536358 /nfs/dbraw/zinc/53/63/58/622536358.db2.gz LCRSLHOQURYWTD-SFHVURJKSA-N 1 1 324.424 3.160 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c1O ZINC000769548144 622539643 /nfs/dbraw/zinc/53/96/43/622539643.db2.gz FZGUDFPRWFUSQI-MAUKXSAKSA-N 1 1 307.434 3.426 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cn(C)nc2C)c(O)c1 ZINC000770305953 622619481 /nfs/dbraw/zinc/61/94/81/622619481.db2.gz WYFOHUIIQPRBJT-KRWDZBQOSA-N 1 1 315.417 3.170 20 10 DGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c(O)cccc2OC)C12CCC2 ZINC000770351755 622624201 /nfs/dbraw/zinc/62/42/01/622624201.db2.gz KQPQYVYPOSCQHC-IAGOWNOFSA-N 1 1 305.418 3.180 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000770377269 622626641 /nfs/dbraw/zinc/62/66/41/622626641.db2.gz ZDOVDLWKJIYLQG-LSDHHAIUSA-N 1 1 305.418 3.039 20 10 DGCDMO CCCOC(=O)[C@H](C)[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000771791309 622796391 /nfs/dbraw/zinc/79/63/91/622796391.db2.gz MQVGGEODSRIYEG-AWEZNQCLSA-N 1 1 304.434 3.059 20 10 DGCDMO CCCOC(=O)[C@H](C)[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000771791309 622796395 /nfs/dbraw/zinc/79/63/95/622796395.db2.gz MQVGGEODSRIYEG-AWEZNQCLSA-N 1 1 304.434 3.059 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(OC(C)C)CCC2)c1 ZINC000872117143 622817377 /nfs/dbraw/zinc/81/73/77/622817377.db2.gz ZAMSECDIVZHLBV-ZDUSSCGKSA-N 1 1 321.417 3.177 20 10 DGCDMO C[C@H](Nc1nc(N2CCCC2)cc[nH+]1)c1ccc(N(C)C)cc1 ZINC000772299290 622881835 /nfs/dbraw/zinc/88/18/35/622881835.db2.gz FMDMRLQGPYXFGG-AWEZNQCLSA-N 1 1 311.433 3.316 20 10 DGCDMO CCn1nc(C)c(C[N@@H+](C)Cc2c(O)ccc3ccncc32)c1C ZINC000872630715 622945352 /nfs/dbraw/zinc/94/53/52/622945352.db2.gz CNWIIQJDRTXOMN-UHFFFAOYSA-N 1 1 324.428 3.406 20 10 DGCDMO OCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(cc1O)CCCC2 ZINC000872758113 622970893 /nfs/dbraw/zinc/97/08/93/622970893.db2.gz OYBYSOXJZVLEGM-WUUXGELPSA-N 1 1 315.457 3.396 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H](C(C)=O)C3)c2c1 ZINC000872801134 622981215 /nfs/dbraw/zinc/98/12/15/622981215.db2.gz WFYDPDBSMSEDQV-OAHLLOKOSA-N 1 1 313.397 3.355 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1O ZINC000773262211 623006260 /nfs/dbraw/zinc/00/62/60/623006260.db2.gz OIZHEZOGFOTEFZ-JKSUJKDBSA-N 1 1 319.445 3.348 20 10 DGCDMO CCCOc1ccc(C[NH2+][C@@H](C)c2nnc(CC)[nH]2)cc1C ZINC000873097223 623035873 /nfs/dbraw/zinc/03/58/73/623035873.db2.gz KJORQRMTRGDYAR-ZDUSSCGKSA-N 1 1 302.422 3.315 20 10 DGCDMO Cc1nccnc1[C@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000873186638 623065887 /nfs/dbraw/zinc/06/58/87/623065887.db2.gz TWQJSNQGAHPXIN-JTQLQIEISA-N 1 1 322.206 3.104 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CN(CC)CC3)cc1 ZINC000773754318 623068061 /nfs/dbraw/zinc/06/80/61/623068061.db2.gz MIKYRJMJOXOXNE-MOPGFXCFSA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(C)c1ccc(CN2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)cc1 ZINC000773754318 623068068 /nfs/dbraw/zinc/06/80/68/623068068.db2.gz MIKYRJMJOXOXNE-MOPGFXCFSA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(C)c1ccc(CN2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)cc1 ZINC000773754318 623068073 /nfs/dbraw/zinc/06/80/73/623068073.db2.gz MIKYRJMJOXOXNE-MOPGFXCFSA-N 1 1 301.478 3.201 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000773802502 623073309 /nfs/dbraw/zinc/07/33/09/623073309.db2.gz VOBBRSHYHXSQIZ-LPHOPBHVSA-N 1 1 312.461 3.422 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC000773832308 623076292 /nfs/dbraw/zinc/07/62/92/623076292.db2.gz OSPWOZNYJMAJKO-ZWKOTPCHSA-N 1 1 304.478 3.372 20 10 DGCDMO Nc1ccc2c(c1)OCC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC000873219864 623078367 /nfs/dbraw/zinc/07/83/67/623078367.db2.gz PKCHEDCLBAHUAW-UHFFFAOYSA-N 1 1 304.777 3.022 20 10 DGCDMO Nc1ccc2c(c1)OCCN(Cc1cccc(Cl)c1[O-])C2 ZINC000873219864 623078374 /nfs/dbraw/zinc/07/83/74/623078374.db2.gz PKCHEDCLBAHUAW-UHFFFAOYSA-N 1 1 304.777 3.022 20 10 DGCDMO CCOC(=O)[C@@H](C)[N@H+](Cc1ccc(N(C)CC)cc1)C1CC1 ZINC000773887128 623084837 /nfs/dbraw/zinc/08/48/37/623084837.db2.gz BIQPZBFZILEYKV-CQSZACIVSA-N 1 1 304.434 3.059 20 10 DGCDMO CCOC(=O)[C@@H](C)[N@@H+](Cc1ccc(N(C)CC)cc1)C1CC1 ZINC000773887128 623084841 /nfs/dbraw/zinc/08/48/41/623084841.db2.gz BIQPZBFZILEYKV-CQSZACIVSA-N 1 1 304.434 3.059 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(Cl)c(Cl)cc1O ZINC000774137141 623111482 /nfs/dbraw/zinc/11/14/82/623111482.db2.gz VUIONIRYMVFXOT-VHSXEESVSA-N 1 1 303.233 3.444 20 10 DGCDMO CC[S@@](=O)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774181040 623116650 /nfs/dbraw/zinc/11/66/50/623116650.db2.gz DPCBIJGKXHQPQR-DCXZOGHSSA-N 1 1 310.246 3.118 20 10 DGCDMO COc1c(O)c(C[NH2+]CCCC2CCCC2)ccc1[N+](=O)[O-] ZINC000774941001 623210320 /nfs/dbraw/zinc/21/03/20/623210320.db2.gz GLQPKQRDIINHGT-UHFFFAOYSA-N 1 1 308.378 3.369 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774972865 623212628 /nfs/dbraw/zinc/21/26/28/623212628.db2.gz DKJZKVSJNQYGLJ-NEPJUHHUSA-N 1 1 308.378 3.225 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774972869 623212747 /nfs/dbraw/zinc/21/27/47/623212747.db2.gz DKJZKVSJNQYGLJ-RYUDHWBXSA-N 1 1 308.378 3.225 20 10 DGCDMO COc1c(O)c(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774980899 623213553 /nfs/dbraw/zinc/21/35/53/623213553.db2.gz FAYHCNGBOFQFQU-QWRGUYRKSA-N 1 1 308.378 3.223 20 10 DGCDMO COc1c(O)c(C[NH2+]C/C=C/c2ccccc2)ccc1[N+](=O)[O-] ZINC000775016788 623216546 /nfs/dbraw/zinc/21/65/46/623216546.db2.gz WRPZUUUOPDKJOG-VMPITWQZSA-N 1 1 314.341 3.112 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CCCCC2(C)C)ccc1[N+](=O)[O-] ZINC000775036821 623219300 /nfs/dbraw/zinc/21/93/00/623219300.db2.gz FZOHHVBHHDHMKX-CYBMUJFWSA-N 1 1 308.378 3.367 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000775054250 623222176 /nfs/dbraw/zinc/22/21/76/623222176.db2.gz MFYKUKOWERIZNS-YVEFUNNKSA-N 1 1 320.389 3.321 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000775054250 623222179 /nfs/dbraw/zinc/22/21/79/623222179.db2.gz MFYKUKOWERIZNS-YVEFUNNKSA-N 1 1 320.389 3.321 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000775061635 623224325 /nfs/dbraw/zinc/22/43/25/623224325.db2.gz ZRSLEHGCHKJTTG-LBPRGKRZSA-N 1 1 308.378 3.177 20 10 DGCDMO COc1c(O)c(C[N@H+]2CC[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000775061635 623224329 /nfs/dbraw/zinc/22/43/29/623224329.db2.gz ZRSLEHGCHKJTTG-LBPRGKRZSA-N 1 1 308.378 3.177 20 10 DGCDMO CCCn1cc(C[NH2+]Cc2cccc(Br)c2O)cn1 ZINC000775151401 623235759 /nfs/dbraw/zinc/23/57/59/623235759.db2.gz FOQIPAJZEGYSDW-UHFFFAOYSA-N 1 1 324.222 3.051 20 10 DGCDMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1cc(C)ccc1O ZINC000775184923 623239651 /nfs/dbraw/zinc/23/96/51/623239651.db2.gz UBCGCVVOKBSHEZ-SFHVURJKSA-N 1 1 305.418 3.398 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCc3cccc(F)c3C2)c1O ZINC000124852295 623245482 /nfs/dbraw/zinc/24/54/82/623245482.db2.gz UAUSQDWHUHNVAC-UHFFFAOYSA-N 1 1 301.361 3.407 20 10 DGCDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000124927824 623257304 /nfs/dbraw/zinc/25/73/04/623257304.db2.gz IBBWIIHDVJCZLC-ZDUSSCGKSA-N 1 1 324.852 3.174 20 10 DGCDMO COCc1cnc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775362497 623260224 /nfs/dbraw/zinc/26/02/24/623260224.db2.gz HMZWYWOMZKRRFY-LBPRGKRZSA-N 1 1 305.447 3.206 20 10 DGCDMO COCc1cnc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000775362495 623260249 /nfs/dbraw/zinc/26/02/49/623260249.db2.gz HMZWYWOMZKRRFY-GFCCVEGCSA-N 1 1 305.447 3.206 20 10 DGCDMO CC[C@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1ccccc1O ZINC000775414277 623272188 /nfs/dbraw/zinc/27/21/88/623272188.db2.gz HJBOHSCJHKMZNW-INIZCTEOSA-N 1 1 308.385 3.214 20 10 DGCDMO COc1cc(O)c(C[N@@H+](Cc2ccc(C)o2)C2CC2)cc1OC ZINC000775649335 623303719 /nfs/dbraw/zinc/30/37/19/623303719.db2.gz OJLMDYGWGADWHC-UHFFFAOYSA-N 1 1 317.385 3.475 20 10 DGCDMO Cc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000775691509 623314758 /nfs/dbraw/zinc/31/47/58/623314758.db2.gz YMMJYMZADRLCIN-AWEZNQCLSA-N 1 1 320.433 3.142 20 10 DGCDMO Cc1cccc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)c1O ZINC000775709588 623316917 /nfs/dbraw/zinc/31/69/17/623316917.db2.gz VBFRRGMQPQGXQD-GOSISDBHSA-N 1 1 324.424 3.328 20 10 DGCDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC000775716687 623318449 /nfs/dbraw/zinc/31/84/49/623318449.db2.gz ZTODSCGMCCKIFV-SMDDNHRTSA-N 1 1 314.832 3.489 20 10 DGCDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC000775716687 623318452 /nfs/dbraw/zinc/31/84/52/623318452.db2.gz ZTODSCGMCCKIFV-SMDDNHRTSA-N 1 1 314.832 3.489 20 10 DGCDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC000775716687 623318456 /nfs/dbraw/zinc/31/84/56/623318456.db2.gz ZTODSCGMCCKIFV-SMDDNHRTSA-N 1 1 314.832 3.489 20 10 DGCDMO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000775723645 623319408 /nfs/dbraw/zinc/31/94/08/623319408.db2.gz CQZOVLXDWODVHX-LBPRGKRZSA-N 1 1 314.832 3.348 20 10 DGCDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000775723645 623319413 /nfs/dbraw/zinc/31/94/13/623319413.db2.gz CQZOVLXDWODVHX-LBPRGKRZSA-N 1 1 314.832 3.348 20 10 DGCDMO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000775723348 623319793 /nfs/dbraw/zinc/31/97/93/623319793.db2.gz FQXGJQXNTHDTDU-LBPRGKRZSA-N 1 1 314.832 3.348 20 10 DGCDMO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000775987743 623361197 /nfs/dbraw/zinc/36/11/97/623361197.db2.gz WFESPXFEXNVRAX-DLBZAZTESA-N 1 1 301.478 3.201 20 10 DGCDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000775987743 623361201 /nfs/dbraw/zinc/36/12/01/623361201.db2.gz WFESPXFEXNVRAX-DLBZAZTESA-N 1 1 301.478 3.201 20 10 DGCDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000775987743 623361207 /nfs/dbraw/zinc/36/12/07/623361207.db2.gz WFESPXFEXNVRAX-DLBZAZTESA-N 1 1 301.478 3.201 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCOCC3(CCCC3)C2)c(O)c1 ZINC000776015089 623364932 /nfs/dbraw/zinc/36/49/32/623364932.db2.gz AHMXIWRBKCPVIZ-UHFFFAOYSA-N 1 1 305.418 3.184 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000776294754 623408261 /nfs/dbraw/zinc/40/82/61/623408261.db2.gz VHAZSSFJBGOICP-LJQANCHMSA-N 1 1 311.425 3.453 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C2CCN(CC)CC2)cc1 ZINC000125283118 623417321 /nfs/dbraw/zinc/41/73/21/623417321.db2.gz ADNQIHBAOSTVTH-UHFFFAOYSA-N 1 1 303.494 3.449 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1C1CCOCC1)CCC2 ZINC000776772622 623461475 /nfs/dbraw/zinc/46/14/75/623461475.db2.gz QBXWFJMIKNNQEE-SFHVURJKSA-N 1 1 301.430 3.272 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000777439147 623525357 /nfs/dbraw/zinc/52/53/57/623525357.db2.gz HWBGBXCJYSTFNR-KRWDZBQOSA-N 1 1 305.418 3.182 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1O ZINC000777553531 623541176 /nfs/dbraw/zinc/54/11/76/623541176.db2.gz FEIJWUSTADMWPI-INIZCTEOSA-N 1 1 305.418 3.100 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CCSC2)c1 ZINC000790486274 625660281 /nfs/dbraw/zinc/66/02/81/625660281.db2.gz UXEKCZRKJZEYPB-JTQLQIEISA-N 1 1 316.264 3.306 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)C1CCN(CCC(F)(F)F)CC1 ZINC000777824807 623573075 /nfs/dbraw/zinc/57/30/75/623573075.db2.gz GEMCGWQPFHUBHP-UHFFFAOYSA-N 1 1 316.367 3.241 20 10 DGCDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876525967 623633540 /nfs/dbraw/zinc/63/35/40/623633540.db2.gz NYAHLDBVEGJARN-IYBDPMFKSA-N 1 1 302.462 3.126 20 10 DGCDMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(C)cc1O)CC2 ZINC000876531463 623635513 /nfs/dbraw/zinc/63/55/13/623635513.db2.gz GUKXPQQIMXTZFO-UHFFFAOYSA-N 1 1 313.397 3.276 20 10 DGCDMO CC[C@](C)(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)OC ZINC000876531420 623635620 /nfs/dbraw/zinc/63/56/20/623635620.db2.gz FXPVABHACSTLKH-SJLPKXTDSA-N 1 1 307.434 3.188 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)CC2(O)CCCCCC2)c1O ZINC000778286077 623636335 /nfs/dbraw/zinc/63/63/35/623636335.db2.gz JNYUDGHLXDMYLT-UHFFFAOYSA-N 1 1 323.408 3.251 20 10 DGCDMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)c(O)c1 ZINC000876537005 623637226 /nfs/dbraw/zinc/63/72/26/623637226.db2.gz JXNLXTMVXVPZID-UHFFFAOYSA-N 1 1 312.413 3.388 20 10 DGCDMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)c(O)c1 ZINC000876539027 623637447 /nfs/dbraw/zinc/63/74/47/623637447.db2.gz RUPSOFZXXLKUHJ-UHFFFAOYSA-N 1 1 312.413 3.388 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(O)c1 ZINC000876552339 623641312 /nfs/dbraw/zinc/64/13/12/623641312.db2.gz RJAHELBWDCBQMD-MRXNPFEDSA-N 1 1 322.412 3.123 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)Cc1ccccc1OCCCCO ZINC000876616118 623661122 /nfs/dbraw/zinc/66/11/22/623661122.db2.gz SRGSFYIZPTXUTM-UHFFFAOYSA-N 1 1 315.413 3.176 20 10 DGCDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876751362 623696295 /nfs/dbraw/zinc/69/62/95/623696295.db2.gz XIBOHUAWBJPTGH-JKSUJKDBSA-N 1 1 302.462 3.268 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000876810522 623712184 /nfs/dbraw/zinc/71/21/84/623712184.db2.gz ANJPUINYTUSPRM-QAPCUYQASA-N 1 1 300.446 3.149 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000876810522 623712189 /nfs/dbraw/zinc/71/21/89/623712189.db2.gz ANJPUINYTUSPRM-QAPCUYQASA-N 1 1 300.446 3.149 20 10 DGCDMO [O-]c1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc(F)c1F ZINC000876811590 623713997 /nfs/dbraw/zinc/71/39/97/623713997.db2.gz LNODRYMGUBTMHH-WBMJQRKESA-N 1 1 322.399 3.119 20 10 DGCDMO [O-]c1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc(F)c1F ZINC000876811590 623714000 /nfs/dbraw/zinc/71/40/00/623714000.db2.gz LNODRYMGUBTMHH-WBMJQRKESA-N 1 1 322.399 3.119 20 10 DGCDMO [O-]c1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc(F)c1F ZINC000876811590 623714004 /nfs/dbraw/zinc/71/40/04/623714004.db2.gz LNODRYMGUBTMHH-WBMJQRKESA-N 1 1 322.399 3.119 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000876817886 623715818 /nfs/dbraw/zinc/71/58/18/623715818.db2.gz OIDYFSYLRREBGZ-AWEZNQCLSA-N 1 1 312.417 3.076 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000876817886 623715821 /nfs/dbraw/zinc/71/58/21/623715821.db2.gz OIDYFSYLRREBGZ-AWEZNQCLSA-N 1 1 312.417 3.076 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000876817886 623715824 /nfs/dbraw/zinc/71/58/24/623715824.db2.gz OIDYFSYLRREBGZ-AWEZNQCLSA-N 1 1 312.417 3.076 20 10 DGCDMO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1ccccc1O ZINC000779034580 623724096 /nfs/dbraw/zinc/72/40/96/623724096.db2.gz YOGUSDQNJYHDSE-IRXDYDNUSA-N 1 1 317.429 3.336 20 10 DGCDMO CCOc1ccc(C[N@@H+](CCN(C)C)C2CCCC2)c(O)c1 ZINC000779174510 623738226 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Cc1cccc(O)c1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000877600121 623958124 /nfs/dbraw/zinc/95/81/24/623958124.db2.gz KDQYEEYYXIGHLW-GOSISDBHSA-N 1 1 301.430 3.482 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CC[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000877603128 623958975 /nfs/dbraw/zinc/95/89/75/623958975.db2.gz FWXLCBJAUJKFFK-PXNSSMCTSA-N 1 1 314.473 3.412 20 10 DGCDMO Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000877659878 623980576 /nfs/dbraw/zinc/98/05/76/623980576.db2.gz FUBRWHBHIKWKJN-ZDUSSCGKSA-N 1 1 308.422 3.046 20 10 DGCDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000780791980 623985525 /nfs/dbraw/zinc/98/55/25/623985525.db2.gz DMDWHDPCIYZJJD-ONGXEEELSA-N 1 1 317.307 3.284 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c1O ZINC000877672380 623985796 /nfs/dbraw/zinc/98/57/96/623985796.db2.gz DBUJPXMLHMEFID-DLBZAZTESA-N 1 1 313.397 3.099 20 10 DGCDMO CC1([NH+]2CCCC2)CCN(Cc2cccc(Cl)c2O)CC1 ZINC000877674065 623987305 /nfs/dbraw/zinc/98/73/05/623987305.db2.gz MBLTUKCJJVNRSX-UHFFFAOYSA-N 1 1 308.853 3.496 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(C)(C)O)C2)c1O ZINC000877796330 624037166 /nfs/dbraw/zinc/03/71/66/624037166.db2.gz DDKSTYVBAKSYNF-GFCCVEGCSA-N 1 1 313.825 3.037 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@H](CCC(=O)OC)C2)c1O ZINC000877818074 624049274 /nfs/dbraw/zinc/04/92/74/624049274.db2.gz DORHLUUHKFRRCK-CQSZACIVSA-N 1 1 305.418 3.120 20 10 DGCDMO Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c(O)c1 ZINC000877820323 624051968 /nfs/dbraw/zinc/05/19/68/624051968.db2.gz HDYSWXFOJDGFGE-SMDDNHRTSA-N 1 1 303.324 3.242 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1 ZINC000877825391 624057861 /nfs/dbraw/zinc/05/78/61/624057861.db2.gz ZLCYKFPBEHERSJ-RISCZKNCSA-N 1 1 303.324 3.242 20 10 DGCDMO COC1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781894043 624165426 /nfs/dbraw/zinc/16/54/26/624165426.db2.gz DPMICAAKYIZFRZ-UHFFFAOYSA-N 1 1 314.223 3.074 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000878150298 624190525 /nfs/dbraw/zinc/19/05/25/624190525.db2.gz CPPWYANYWGFHNZ-LBPRGKRZSA-N 1 1 318.373 3.140 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000878150298 624190526 /nfs/dbraw/zinc/19/05/26/624190526.db2.gz CPPWYANYWGFHNZ-LBPRGKRZSA-N 1 1 318.373 3.140 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000782291420 624234536 /nfs/dbraw/zinc/23/45/36/624234536.db2.gz SMIRCUJRFMDFNA-MRXNPFEDSA-N 1 1 319.408 3.400 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H]1CCN(C2CCC2)C1=O ZINC000878565694 624309518 /nfs/dbraw/zinc/30/95/18/624309518.db2.gz RCACNUUSJINXHJ-KRWDZBQOSA-N 1 1 316.445 3.148 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@H](C)[C@@H](C)O1 ZINC000783539841 624363176 /nfs/dbraw/zinc/36/31/76/624363176.db2.gz DCEOFHVRXLQKBS-JHJVBQTASA-N 1 1 307.434 3.393 20 10 DGCDMO COCC[N@@H+](Cc1scnc1C)Cc1ccc(N(C)C)cc1 ZINC000785993246 624776265 /nfs/dbraw/zinc/77/62/65/624776265.db2.gz UOVTUYGAMDGSAL-UHFFFAOYSA-N 1 1 319.474 3.166 20 10 DGCDMO C[C@H]([NH2+]CCN1CCCC1)c1cccc(C(F)(F)F)c1O ZINC000788506557 625201578 /nfs/dbraw/zinc/20/15/78/625201578.db2.gz VYKLOIAZFUJDCU-NSHDSACASA-N 1 1 302.340 3.157 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc(C(F)(F)F)c1O ZINC000788593224 625221763 /nfs/dbraw/zinc/22/17/63/625221763.db2.gz GXPKGCVVBJZZEY-WDEREUQCSA-N 1 1 314.351 3.298 20 10 DGCDMO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788669813 625239000 /nfs/dbraw/zinc/23/90/00/625239000.db2.gz PNFWOCYEXBHTPZ-FDXSBTRWSA-N 1 1 323.380 3.219 20 10 DGCDMO C[C@@H](CO)CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788685104 625243278 /nfs/dbraw/zinc/24/32/78/625243278.db2.gz GQCUBBBQKHNXEU-MNOVXSKESA-N 1 1 305.340 3.470 20 10 DGCDMO Cc1ccsc1[C@H](CO)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790972826 625726860 /nfs/dbraw/zinc/72/68/60/625726860.db2.gz HVKHNRGKVQZMEG-NSHDSACASA-N 1 1 315.797 3.378 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000883078600 625917850 /nfs/dbraw/zinc/91/78/50/625917850.db2.gz WVCPLSHBJCPJEI-MBNYWOFBSA-N 1 1 317.426 3.140 20 10 DGCDMO C[N@H+](CCC(=O)OC(C)(C)C)Cc1c(O)ccc(Cl)c1F ZINC000792169505 625918083 /nfs/dbraw/zinc/91/80/83/625918083.db2.gz LCBXDBNXYBDNBK-UHFFFAOYSA-N 1 1 317.788 3.348 20 10 DGCDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1c(O)ccc(Cl)c1F ZINC000792169505 625918089 /nfs/dbraw/zinc/91/80/89/625918089.db2.gz LCBXDBNXYBDNBK-UHFFFAOYSA-N 1 1 317.788 3.348 20 10 DGCDMO COCC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc(C)o1 ZINC000883083926 625921070 /nfs/dbraw/zinc/92/10/70/625921070.db2.gz CCCFYFDBGFDHBG-CQSZACIVSA-N 1 1 311.328 3.439 20 10 DGCDMO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000792202472 625925525 /nfs/dbraw/zinc/92/55/25/625925525.db2.gz KEDFQQKWZYUTKJ-INIZCTEOSA-N 1 1 306.450 3.305 20 10 DGCDMO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000792202472 625925527 /nfs/dbraw/zinc/92/55/27/625925527.db2.gz KEDFQQKWZYUTKJ-INIZCTEOSA-N 1 1 306.450 3.305 20 10 DGCDMO CN(C)C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc(F)cc1 ZINC000883120090 625932720 /nfs/dbraw/zinc/93/27/20/625932720.db2.gz SNLIIXSPMLFUMZ-MRXNPFEDSA-N 1 1 324.346 3.202 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@](C)(O)c1ccccc1 ZINC000883157947 625946897 /nfs/dbraw/zinc/94/68/97/625946897.db2.gz PHDVRSFOWDYLNR-GTNSWQLSSA-N 1 1 307.340 3.056 20 10 DGCDMO COc1cccc([C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)OC)c1 ZINC000883184656 625959221 /nfs/dbraw/zinc/95/92/21/625959221.db2.gz BNLOWNGTAGFKBS-MRXNPFEDSA-N 1 1 323.339 3.156 20 10 DGCDMO CCC[C@]1([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)CCOC1 ZINC000796440563 626049780 /nfs/dbraw/zinc/04/97/80/626049780.db2.gz IHGJDKSYGMEKDR-INIZCTEOSA-N 1 1 311.809 3.297 20 10 DGCDMO CC[C@H]([NH2+]CCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000796680475 626072904 /nfs/dbraw/zinc/07/29/04/626072904.db2.gz SPLLMPZQGQFJHB-ZQIUZPCESA-N 1 1 324.440 3.071 20 10 DGCDMO CC[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(F)cc1O ZINC000796685980 626073129 /nfs/dbraw/zinc/07/31/29/626073129.db2.gz VHYCJIDBFYWSEA-HNNXBMFYSA-N 1 1 317.364 3.263 20 10 DGCDMO CC[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1ccc(F)cc1O ZINC000796846022 626089497 /nfs/dbraw/zinc/08/94/97/626089497.db2.gz DRIOQPBXBZHOOI-MRXNPFEDSA-N 1 1 315.392 3.482 20 10 DGCDMO CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(C)cc1)c1ccc(F)cc1O ZINC000796959525 626099910 /nfs/dbraw/zinc/09/99/10/626099910.db2.gz RADZUEXAQMRSDG-SJLPKXTDSA-N 1 1 317.404 3.484 20 10 DGCDMO CCc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000797020625 626104885 /nfs/dbraw/zinc/10/48/85/626104885.db2.gz WEKIMLZBYKITKQ-XIKOKIGWSA-N 1 1 303.377 3.478 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(C(F)(F)F)CC2)c1 ZINC000797071734 626110249 /nfs/dbraw/zinc/11/02/49/626110249.db2.gz UXRBGXOQBMXECK-VIFPVBQESA-N 1 1 317.307 3.172 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 ZINC000797418758 626141494 /nfs/dbraw/zinc/14/14/94/626141494.db2.gz VQGYCCGUBOSNMC-GJYPPUQNSA-N 1 1 319.445 3.167 20 10 DGCDMO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000799351727 626294795 /nfs/dbraw/zinc/29/47/95/626294795.db2.gz GNELQGSZQSIQSZ-STQMWFEESA-N 1 1 314.223 3.202 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)c1O ZINC000799581298 626311326 /nfs/dbraw/zinc/31/13/26/626311326.db2.gz KWLLRIDUZFCHLO-UHFFFAOYSA-N 1 1 315.417 3.255 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+]2CCC=C(Br)C2)c1 ZINC000799737033 626326163 /nfs/dbraw/zinc/32/61/63/626326163.db2.gz SHOFNMJBEQIJQE-UHFFFAOYSA-N 1 1 312.207 3.275 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC=C(Br)C2)c1 ZINC000799737033 626326165 /nfs/dbraw/zinc/32/61/65/626326165.db2.gz SHOFNMJBEQIJQE-UHFFFAOYSA-N 1 1 312.207 3.275 20 10 DGCDMO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)no1 ZINC000800502361 626365427 /nfs/dbraw/zinc/36/54/27/626365427.db2.gz AQKNIYYCGVNEIH-GJZGRUSLSA-N 1 1 315.417 3.231 20 10 DGCDMO CC1=C(c2ccco2)C[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000800867412 626380596 /nfs/dbraw/zinc/38/05/96/626380596.db2.gz XMGPFZQKRLBMRC-UHFFFAOYSA-N 1 1 313.353 3.393 20 10 DGCDMO CCCCN(Cc1ccccc1O)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000801546206 626409261 /nfs/dbraw/zinc/40/92/61/626409261.db2.gz JPNLMGFHLYBHII-IYBDPMFKSA-N 1 1 318.461 3.394 20 10 DGCDMO CCCC[N@H+](Cc1nnc(C)n1C1CC1)Cc1ccccc1O ZINC000801595895 626411411 /nfs/dbraw/zinc/41/14/11/626411411.db2.gz VDWPNICTCNFCRK-UHFFFAOYSA-N 1 1 314.433 3.429 20 10 DGCDMO CCCC[N@@H+](Cc1nnc(C)n1C1CC1)Cc1ccccc1O ZINC000801595895 626411412 /nfs/dbraw/zinc/41/14/12/626411412.db2.gz VDWPNICTCNFCRK-UHFFFAOYSA-N 1 1 314.433 3.429 20 10 DGCDMO CCCC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccccc1O ZINC000801597511 626411736 /nfs/dbraw/zinc/41/17/36/626411736.db2.gz IZJMCWSEXXWRQJ-UHFFFAOYSA-N 1 1 318.461 3.397 20 10 DGCDMO CCCC[N@@H+](CC(=O)NC1CCCC1)Cc1ccccc1O ZINC000801597988 626411744 /nfs/dbraw/zinc/41/17/44/626411744.db2.gz SCYYJWPAPVCCOM-UHFFFAOYSA-N 1 1 304.434 3.053 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N[C@@H](C)CC ZINC000801598172 626411923 /nfs/dbraw/zinc/41/19/23/626411923.db2.gz WOONZYLKLBJXSM-LSDHHAIUSA-N 1 1 306.450 3.298 20 10 DGCDMO CCCC[N@@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1ccccc1O ZINC000802657395 626565271 /nfs/dbraw/zinc/56/52/71/626565271.db2.gz CCEFHNKWCFCFKK-UHFFFAOYSA-N 1 1 316.401 3.309 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccc(F)cc1O ZINC000883263284 626628667 /nfs/dbraw/zinc/62/86/67/626628667.db2.gz OJXFSUYBTHNECO-HIFRSBDPSA-N 1 1 323.408 3.158 20 10 DGCDMO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000883272090 626631580 /nfs/dbraw/zinc/63/15/80/626631580.db2.gz DBIZOTGPKFOGEA-DCAQKATOSA-N 1 1 303.324 3.487 20 10 DGCDMO Cc1ccsc1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883284285 626636605 /nfs/dbraw/zinc/63/66/05/626636605.db2.gz JVCNAYFELZCAKA-UHFFFAOYSA-N 1 1 315.486 3.098 20 10 DGCDMO CC(C)[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCCO1 ZINC000840094001 626756229 /nfs/dbraw/zinc/75/62/29/626756229.db2.gz DXEGJTCBHXERDV-SFHVURJKSA-N 1 1 300.402 3.187 20 10 DGCDMO CCN(CC)c1ccc(CNc2c[nH+]ccc2-n2ccnn2)cc1 ZINC000808426094 626823356 /nfs/dbraw/zinc/82/33/56/626823356.db2.gz OENXPTGQRAIVCH-UHFFFAOYSA-N 1 1 322.416 3.121 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@]3(CCSC3)C2)c(O)cc1C ZINC000840146702 626865175 /nfs/dbraw/zinc/86/51/75/626865175.db2.gz ZRKZVPDOVXPTJY-KRWDZBQOSA-N 1 1 307.459 3.428 20 10 DGCDMO CC(C)(C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840148816 626868641 /nfs/dbraw/zinc/86/86/41/626868641.db2.gz ANTOCHDWFMQVFW-WBMJQRKESA-N 1 1 305.418 3.076 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](CF)C1)oc1ccccc12 ZINC000840171050 626902644 /nfs/dbraw/zinc/90/26/44/626902644.db2.gz DWPNAAWVXSVLHO-CYBMUJFWSA-N 1 1 315.344 3.462 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](CF)C1)oc1ccccc12 ZINC000840171050 626902646 /nfs/dbraw/zinc/90/26/46/626902646.db2.gz DWPNAAWVXSVLHO-CYBMUJFWSA-N 1 1 315.344 3.462 20 10 DGCDMO C[C@@]1(O)CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809593645 626924040 /nfs/dbraw/zinc/92/40/40/626924040.db2.gz PSEZHDCLXIBFKV-OAQYLSRUSA-N 1 1 322.452 3.206 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1 ZINC000809700558 626938896 /nfs/dbraw/zinc/93/88/96/626938896.db2.gz JCHCAWHNDHMRSM-GDBMZVCRSA-N 1 1 307.434 3.306 20 10 DGCDMO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000809711371 626939844 /nfs/dbraw/zinc/93/98/44/626939844.db2.gz VOZSLGKPDUQUGK-MRXNPFEDSA-N 1 1 313.397 3.444 20 10 DGCDMO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(C)c(C)cc1O ZINC000809713815 626939920 /nfs/dbraw/zinc/93/99/20/626939920.db2.gz MVUSXDDTXTUCSF-UHFFFAOYSA-N 1 1 318.461 3.234 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](CCN(C)C)CC2CCCCC2)c1 ZINC000809737170 626943615 /nfs/dbraw/zinc/94/36/15/626943615.db2.gz PWIJMIQJDQGJDJ-UHFFFAOYSA-N 1 1 320.477 3.345 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000809748618 626946157 /nfs/dbraw/zinc/94/61/57/626946157.db2.gz ADBYJRHOXXGUPD-OAHLLOKOSA-N 1 1 305.418 3.254 20 10 DGCDMO c1cncc(C[N@H+](Cc2ccc(N3CCOCC3)cc2)C2CC2)c1 ZINC000809762834 626948609 /nfs/dbraw/zinc/94/86/09/626948609.db2.gz BSZBKSXGTXNNEM-UHFFFAOYSA-N 1 1 323.440 3.083 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1F ZINC000809766501 626949237 /nfs/dbraw/zinc/94/92/37/626949237.db2.gz ZHYCBLLMVJZXTL-MAUKXSAKSA-N 1 1 321.484 3.444 20 10 DGCDMO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1F ZINC000809766501 626949242 /nfs/dbraw/zinc/94/92/42/626949242.db2.gz ZHYCBLLMVJZXTL-MAUKXSAKSA-N 1 1 321.484 3.444 20 10 DGCDMO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1F ZINC000809766501 626949243 /nfs/dbraw/zinc/94/92/43/626949243.db2.gz ZHYCBLLMVJZXTL-MAUKXSAKSA-N 1 1 321.484 3.444 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccccc2N(C)C)c(O)c1 ZINC000809788152 626953797 /nfs/dbraw/zinc/95/37/97/626953797.db2.gz OJPDRECPIGQPOP-UHFFFAOYSA-N 1 1 314.429 3.489 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2C[C@]23CCOC3)cc1 ZINC000885940447 627065142 /nfs/dbraw/zinc/06/51/42/627065142.db2.gz JQTKFQZTZMLXTE-MJGOQNOKSA-N 1 1 302.462 3.391 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1c(O)cccc1F ZINC000886489499 627152239 /nfs/dbraw/zinc/15/22/39/627152239.db2.gz KHYUXJLOAMIQGH-VXGBXAGGSA-N 1 1 303.333 3.022 20 10 DGCDMO CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886504147 627153994 /nfs/dbraw/zinc/15/39/94/627153994.db2.gz SSHOLHXAGRJENJ-LBPRGKRZSA-N 1 1 316.376 3.132 20 10 DGCDMO C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1c(O)cccc1F ZINC000886504119 627154046 /nfs/dbraw/zinc/15/40/46/627154046.db2.gz SBYWEMFMQQRSND-LBPRGKRZSA-N 1 1 322.424 3.219 20 10 DGCDMO COc1cccc(C[NH2+][C@H](C)c2c(O)cccc2F)c1OC ZINC000886507727 627154512 /nfs/dbraw/zinc/15/45/12/627154512.db2.gz XAASBDSTBIFGHS-LLVKDONJSA-N 1 1 305.349 3.399 20 10 DGCDMO C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1c(O)cccc1F ZINC000886547544 627160822 /nfs/dbraw/zinc/16/08/22/627160822.db2.gz NBKJJMXDPSHKNI-HEHGZKQESA-N 1 1 303.377 3.347 20 10 DGCDMO C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886556937 627162902 /nfs/dbraw/zinc/16/29/02/627162902.db2.gz NOHHCYSUANTGTP-DIFFPNOSSA-N 1 1 307.340 3.229 20 10 DGCDMO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886592576 627169118 /nfs/dbraw/zinc/16/91/18/627169118.db2.gz XNZMRRNJLJKNKL-GHMZBOCLSA-N 1 1 312.385 3.095 20 10 DGCDMO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2c(O)cccc2F)C1 ZINC000886593913 627169408 /nfs/dbraw/zinc/16/94/08/627169408.db2.gz BOCMNCKOLOLDIW-UPJWGTAASA-N 1 1 324.396 3.049 20 10 DGCDMO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886596252 627169749 /nfs/dbraw/zinc/16/97/49/627169749.db2.gz ABBIVEPGLHWQPX-ZFWWWQNUSA-N 1 1 303.377 3.094 20 10 DGCDMO C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1c(O)cccc1F ZINC000886635170 627177894 /nfs/dbraw/zinc/17/78/94/627177894.db2.gz XUQZRHOJOCDZCE-MRVPVSSYSA-N 1 1 315.270 3.191 20 10 DGCDMO C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1c(O)cccc1F ZINC000886637950 627178008 /nfs/dbraw/zinc/17/80/08/627178008.db2.gz ISSQWIICGJGPSN-NSHDSACASA-N 1 1 303.381 3.383 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1c(O)cccc1F ZINC000886640101 627178461 /nfs/dbraw/zinc/17/84/61/627178461.db2.gz RJJGCBZDOOJLRJ-GDZNZVCISA-N 1 1 303.377 3.347 20 10 DGCDMO CC(C)[C@H]([NH2+][C@H](C)c1c(O)cccc1F)[C@H](O)C(F)(F)F ZINC000886644382 627179117 /nfs/dbraw/zinc/17/91/17/627179117.db2.gz BNMYGASAEOIUKK-JCOFBHIZSA-N 1 1 309.303 3.130 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccc(F)cc1O ZINC000886676694 627187430 /nfs/dbraw/zinc/18/74/30/627187430.db2.gz KSJLYGLJCDEJKT-NVXWUHKLSA-N 1 1 321.367 3.315 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](c3ncccn3)C2)cc1 ZINC000886685983 627189708 /nfs/dbraw/zinc/18/97/08/627189708.db2.gz HTBAUVXVRDTDDA-KRWDZBQOSA-N 1 1 310.445 3.312 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)c1c(O)cccc1F ZINC000886769542 627202570 /nfs/dbraw/zinc/20/25/70/627202570.db2.gz WUKFAFRYIWBRRQ-BXTPVMGZSA-N 1 1 323.408 3.155 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1F ZINC000811518806 627286835 /nfs/dbraw/zinc/28/68/35/627286835.db2.gz PDRVANVDLKJNCF-QZTJIDSGSA-N 1 1 318.436 3.425 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](n3cc(Cl)cn3)C1)CCC2 ZINC000811802364 627322419 /nfs/dbraw/zinc/32/24/19/627322419.db2.gz XGDVQJYHICFYIF-MRXNPFEDSA-N 1 1 317.820 3.178 20 10 DGCDMO CC(C)[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCOC1 ZINC000812292325 627368560 /nfs/dbraw/zinc/36/85/60/627368560.db2.gz RTXMFVMIRMSTKN-OAHLLOKOSA-N 1 1 307.434 3.395 20 10 DGCDMO CC[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(F)cc1O ZINC000812736984 627414860 /nfs/dbraw/zinc/41/48/60/627414860.db2.gz LCIFVONUAUOOFL-OAHLLOKOSA-N 1 1 317.408 3.385 20 10 DGCDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccccc1O ZINC000814178352 627547337 /nfs/dbraw/zinc/54/73/37/627547337.db2.gz MZDYZQBOQGIRAV-CQSZACIVSA-N 1 1 300.377 3.242 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](CCC3CCOCC3)CC2)cc1 ZINC000814618951 627580091 /nfs/dbraw/zinc/58/00/91/627580091.db2.gz JADCGEATGGPDLH-UHFFFAOYSA-N 1 1 318.461 3.024 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)ccc1N(C)C ZINC000815021816 627617389 /nfs/dbraw/zinc/61/73/89/627617389.db2.gz UHSHBUDFUSJRKL-KRWDZBQOSA-N 1 1 312.461 3.174 20 10 DGCDMO Cc1cc(C[N@@H+](C)C2CCN(C(C)C)CC2)ccc1N(C)C ZINC000815034146 627618099 /nfs/dbraw/zinc/61/80/99/627618099.db2.gz FFWBRNQZIIKRQN-UHFFFAOYSA-N 1 1 303.494 3.366 20 10 DGCDMO Cc1cc(C[N@H+](C)C2CCN(C(C)C)CC2)ccc1N(C)C ZINC000815034146 627618101 /nfs/dbraw/zinc/61/81/01/627618101.db2.gz FFWBRNQZIIKRQN-UHFFFAOYSA-N 1 1 303.494 3.366 20 10 DGCDMO Cc1cc(C[N@@H+](CCCO)Cc2ccccc2)ccc1N(C)C ZINC000815062184 627621434 /nfs/dbraw/zinc/62/14/34/627621434.db2.gz OTHUENGMVMEZSM-UHFFFAOYSA-N 1 1 312.457 3.446 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)ccc1N(C)C ZINC000815083902 627624201 /nfs/dbraw/zinc/62/42/01/627624201.db2.gz IIGPWNXWMAFHNR-SJLPKXTDSA-N 1 1 304.478 3.290 20 10 DGCDMO Cc1cc(C[NH2+][C@H](CO)c2c(F)cccc2F)ccc1N(C)C ZINC000815086242 627624256 /nfs/dbraw/zinc/62/42/56/627624256.db2.gz IVBFSHRVRXWISE-MRXNPFEDSA-N 1 1 320.383 3.162 20 10 DGCDMO Cc1cc(C[NH2+][C@@H](CO)c2c(F)cccc2F)ccc1N(C)C ZINC000815086241 627624450 /nfs/dbraw/zinc/62/44/50/627624450.db2.gz IVBFSHRVRXWISE-INIZCTEOSA-N 1 1 320.383 3.162 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](CCO)Cc2ccc(C)o2)cc1 ZINC000815106684 627627843 /nfs/dbraw/zinc/62/78/43/627627843.db2.gz ZQFRTFJKQYZTJT-UHFFFAOYSA-N 1 1 302.418 3.039 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)ccc1N(C)C ZINC000815117602 627628864 /nfs/dbraw/zinc/62/88/64/627628864.db2.gz ADMDMEQBJWGDTO-MRXNPFEDSA-N 1 1 318.852 3.358 20 10 DGCDMO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc(C(F)(F)F)c1O ZINC000815577976 627686122 /nfs/dbraw/zinc/68/61/22/627686122.db2.gz DYSJEFQHBDEJPU-XPTSAGLGSA-N 1 1 303.324 3.223 20 10 DGCDMO CC[C@H](c1ccc(F)cc1O)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925753883 627788518 /nfs/dbraw/zinc/78/85/18/627788518.db2.gz KUHRAQMFAWMOLC-MRXNPFEDSA-N 1 1 316.376 3.459 20 10 DGCDMO CC[C@H](c1ccc(F)cc1O)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753883 627788519 /nfs/dbraw/zinc/78/85/19/627788519.db2.gz KUHRAQMFAWMOLC-MRXNPFEDSA-N 1 1 316.376 3.459 20 10 DGCDMO CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000925784781 627794767 /nfs/dbraw/zinc/79/47/67/627794767.db2.gz NTUUEFJKIZZOGD-GGZOMVNGSA-N 1 1 303.233 3.348 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000925782168 627794795 /nfs/dbraw/zinc/79/47/95/627794795.db2.gz DSGUGBIAQYRFPI-OXHMUOHRSA-N 1 1 303.233 3.348 20 10 DGCDMO CCCNC(=O)C[N@@H+](CCC)Cc1ccc2ccccc2c1O ZINC000816494352 627797093 /nfs/dbraw/zinc/79/70/93/627797093.db2.gz IAVFEEHPDADWDT-UHFFFAOYSA-N 1 1 314.429 3.284 20 10 DGCDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000816514726 627800080 /nfs/dbraw/zinc/80/00/80/627800080.db2.gz FXVVOTZUBYVTHP-XHDPSFHLSA-N 1 1 314.832 3.347 20 10 DGCDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000816514726 627800084 /nfs/dbraw/zinc/80/00/84/627800084.db2.gz FXVVOTZUBYVTHP-XHDPSFHLSA-N 1 1 314.832 3.347 20 10 DGCDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000816514726 627800087 /nfs/dbraw/zinc/80/00/87/627800087.db2.gz FXVVOTZUBYVTHP-XHDPSFHLSA-N 1 1 314.832 3.347 20 10 DGCDMO OC[C@@]1([NH2+]Cc2cc(Cl)c(F)cc2O)CCc2ccccc21 ZINC000816558630 627807368 /nfs/dbraw/zinc/80/73/68/627807368.db2.gz HHRTZGKXIHIDIS-KRWDZBQOSA-N 1 1 321.779 3.108 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000816567569 627809274 /nfs/dbraw/zinc/80/92/74/627809274.db2.gz FSUSKLATAGPVKT-GFCCVEGCSA-N 1 1 313.800 3.433 20 10 DGCDMO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816588483 627811943 /nfs/dbraw/zinc/81/19/43/627811943.db2.gz PHIPQMKDTRQTNX-AWEZNQCLSA-N 1 1 323.795 3.186 20 10 DGCDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc3ccccc3c2O)o1 ZINC000816596718 627812485 /nfs/dbraw/zinc/81/24/85/627812485.db2.gz NLSRXOMWBBOAOM-UHFFFAOYSA-N 1 1 311.381 3.441 20 10 DGCDMO O=c1[nH]ccc2c1C[N@@H+](Cc1ccc3ccccc3c1O)CC2 ZINC000816591620 627812580 /nfs/dbraw/zinc/81/25/80/627812580.db2.gz JEWPSKKXTKZFAH-UHFFFAOYSA-N 1 1 306.365 3.204 20 10 DGCDMO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Cl)c(F)cc1O ZINC000816608640 627814645 /nfs/dbraw/zinc/81/46/45/627814645.db2.gz FPDHZYCWPNUNEN-WCQYABFASA-N 1 1 312.816 3.243 20 10 DGCDMO Cn1ncc2ccc(C[NH2+]Cc3cc(Cl)c(F)cc3O)cc21 ZINC000816616044 627815694 /nfs/dbraw/zinc/81/56/94/627815694.db2.gz MZAGGVDFJJYFDW-UHFFFAOYSA-N 1 1 319.767 3.361 20 10 DGCDMO CC(C)[C@@H]1[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000816624617 627816309 /nfs/dbraw/zinc/81/63/09/627816309.db2.gz AXIZAYILAOOKJO-SFHVURJKSA-N 1 1 302.462 3.390 20 10 DGCDMO CC(C)[C@@H]1[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1(C)C ZINC000816624973 627816692 /nfs/dbraw/zinc/81/66/92/627816692.db2.gz NEMRPHQDVVBPBE-IBGZPJMESA-N 1 1 315.505 3.305 20 10 DGCDMO CC(C)[C@@H]1[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1(C)C ZINC000816624973 627816693 /nfs/dbraw/zinc/81/66/93/627816693.db2.gz NEMRPHQDVVBPBE-IBGZPJMESA-N 1 1 315.505 3.305 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCOC[C@H]2CC2CCC2)c1O ZINC000816667291 627823291 /nfs/dbraw/zinc/82/32/91/627823291.db2.gz IZJNXFJKCJTHPR-MRXNPFEDSA-N 1 1 305.418 3.182 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](O)CC2)c(C(F)(F)F)c1 ZINC000816667629 627823748 /nfs/dbraw/zinc/82/37/48/627823748.db2.gz RWFKVYYEUDQBAY-CQSZACIVSA-N 1 1 316.367 3.118 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)ccc1N1CCCCC1 ZINC000817281897 627876920 /nfs/dbraw/zinc/87/69/20/627876920.db2.gz SFJVYKRUDQOGNW-APWZRJJASA-N 1 1 316.489 3.436 20 10 DGCDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1O ZINC000817412427 627896409 /nfs/dbraw/zinc/89/64/09/627896409.db2.gz KYLFNLAHHLOWRH-HIFRSBDPSA-N 1 1 305.418 3.334 20 10 DGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCC[N@H+]1C ZINC000817417373 627897203 /nfs/dbraw/zinc/89/72/03/627897203.db2.gz KVKBESRJLVMQBL-LJQANCHMSA-N 1 1 301.478 3.203 20 10 DGCDMO CN1CCC[C@@H]1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000817417373 627897206 /nfs/dbraw/zinc/89/72/06/627897206.db2.gz KVKBESRJLVMQBL-LJQANCHMSA-N 1 1 301.478 3.203 20 10 DGCDMO CN1CCC[C@@H]1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000817417373 627897210 /nfs/dbraw/zinc/89/72/10/627897210.db2.gz KVKBESRJLVMQBL-LJQANCHMSA-N 1 1 301.478 3.203 20 10 DGCDMO Cc1cc(C[NH2+][C@@H](C)c2cnn(C)n2)c(C)n1-c1ccccc1 ZINC000926763540 627948974 /nfs/dbraw/zinc/94/89/74/627948974.db2.gz AYHPBQZYBPVUTP-AWEZNQCLSA-N 1 1 309.417 3.073 20 10 DGCDMO Cc1cccc2c1CC[C@@H]2NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938381 627966450 /nfs/dbraw/zinc/96/64/50/627966450.db2.gz JQZDRKURRBBHRH-PMACEKPBSA-N 1 1 309.457 3.338 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cc(F)cc(F)c1 ZINC000817938567 627966801 /nfs/dbraw/zinc/96/68/01/627966801.db2.gz NGKWQHKPIXQQLN-XIKOKIGWSA-N 1 1 319.399 3.381 20 10 DGCDMO Cc1nc(C)c([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817938656 627967693 /nfs/dbraw/zinc/96/76/93/627967693.db2.gz OYUOHGYPLIACFH-BZNIZROVSA-N 1 1 318.490 3.177 20 10 DGCDMO Cc1cc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC000817940001 627967808 /nfs/dbraw/zinc/96/78/08/627967808.db2.gz DSRDFWRRSXIWIV-GUYCJALGSA-N 1 1 303.475 3.473 20 10 DGCDMO Cc1cc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)oc1C ZINC000817941877 627968333 /nfs/dbraw/zinc/96/83/33/627968333.db2.gz LHYQUQDMFGWJEB-GUYCJALGSA-N 1 1 301.434 3.313 20 10 DGCDMO CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817941782 627968433 /nfs/dbraw/zinc/96/84/33/627968433.db2.gz RNLQCQPFYOCZSZ-CQSZACIVSA-N 1 1 316.367 3.451 20 10 DGCDMO CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817940842 627968946 /nfs/dbraw/zinc/96/89/46/627968946.db2.gz LGBILDZLUCIXJL-BXKDBHETSA-N 1 1 303.233 3.492 20 10 DGCDMO CCc1cccnc1[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817942455 627970025 /nfs/dbraw/zinc/97/00/25/627970025.db2.gz OYBROFNUUJBTON-KBXCAEBGSA-N 1 1 312.461 3.061 20 10 DGCDMO Oc1ccccc1[C@H](CCc1ccccc1)NCC[NH2+]C1CC1 ZINC000817953354 627973421 /nfs/dbraw/zinc/97/34/21/627973421.db2.gz LDRPMVIVCWTVBI-IBGZPJMESA-N 1 1 310.441 3.408 20 10 DGCDMO C[C@H](NCC(F)(F)C[NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000817966361 627977893 /nfs/dbraw/zinc/97/78/93/627977893.db2.gz MCWLYIOQSFCQJB-LBPRGKRZSA-N 1 1 315.383 3.061 20 10 DGCDMO CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000817970463 627978752 /nfs/dbraw/zinc/97/87/52/627978752.db2.gz WHNOJOHECDPVTQ-BPNCWPANSA-N 1 1 316.367 3.450 20 10 DGCDMO C[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000817971195 627979609 /nfs/dbraw/zinc/97/96/09/627979609.db2.gz KKEHYUWFIWEFMY-GJYPPUQNSA-N 1 1 301.478 3.326 20 10 DGCDMO C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1c(O)cccc1F ZINC000926959318 627990081 /nfs/dbraw/zinc/99/00/81/627990081.db2.gz RHONCEPLKLKZMH-SKDRFNHKSA-N 1 1 308.319 3.065 20 10 DGCDMO CCn1nc(C)c(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000818345812 628016369 /nfs/dbraw/zinc/01/63/69/628016369.db2.gz PJZMBEJPMQKFLG-SNVBAGLBSA-N 1 1 308.813 3.125 20 10 DGCDMO CC[C@@](C)(C(=O)OC)[N@H+](Cc1cccc(C)c1O)CC1CC1 ZINC000822504330 628458264 /nfs/dbraw/zinc/45/82/64/628458264.db2.gz RZBQRXNIVNQNLB-SFHVURJKSA-N 1 1 305.418 3.254 20 10 DGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](CCO)C2CC2)cc1 ZINC000823399458 628557069 /nfs/dbraw/zinc/55/70/69/628557069.db2.gz DXOYMUOEAKZIAJ-UHFFFAOYSA-N 1 1 316.470 3.341 20 10 DGCDMO C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CC[N@@H+](C2CC2)C1 ZINC000824445472 628661186 /nfs/dbraw/zinc/66/11/86/628661186.db2.gz AFZAXSFAKDIZQA-NSHDSACASA-N 1 1 312.816 3.101 20 10 DGCDMO C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CC[N@H+](C2CC2)C1 ZINC000824445472 628661188 /nfs/dbraw/zinc/66/11/88/628661188.db2.gz AFZAXSFAKDIZQA-NSHDSACASA-N 1 1 312.816 3.101 20 10 DGCDMO C[N@@H+](Cc1cnn2c1CCC2)Cc1ccc(N2CCCCC2)cc1 ZINC000824474915 628664003 /nfs/dbraw/zinc/66/40/03/628664003.db2.gz WCJMZYSKEHPMAQ-UHFFFAOYSA-N 1 1 324.472 3.452 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1Cl ZINC000824596177 628675345 /nfs/dbraw/zinc/67/53/45/628675345.db2.gz CDOPXJUNSOYEHH-GFCCVEGCSA-N 1 1 305.809 3.457 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000824695702 628684942 /nfs/dbraw/zinc/68/49/42/628684942.db2.gz BHFCFEKFGLCFBD-ZHALLVOQSA-N 1 1 319.445 3.306 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000824893096 628703634 /nfs/dbraw/zinc/70/36/34/628703634.db2.gz KBPIJTWSVXRKCF-SJORKVTESA-N 1 1 301.430 3.482 20 10 DGCDMO COc1c(O)c(C[NH2+]C23CCC(CC2)CC3)ccc1[N+](=O)[O-] ZINC000824935159 628708842 /nfs/dbraw/zinc/70/88/42/628708842.db2.gz ALHYGEVYVKAVEF-UHFFFAOYSA-N 1 1 306.362 3.121 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1O ZINC000825030256 628718397 /nfs/dbraw/zinc/71/83/97/628718397.db2.gz HTFOXSHMUSFCHN-WBVHZDCISA-N 1 1 317.429 3.208 20 10 DGCDMO CCOCc1cc(CNCC[N@H+]2CCCC2(C)C)ccc1OC ZINC000825327733 628750490 /nfs/dbraw/zinc/75/04/90/628750490.db2.gz VFIVVGMTEPKUTK-UHFFFAOYSA-N 1 1 320.477 3.196 20 10 DGCDMO CCOCc1cc(C[NH2+]CCN2CCCC2(C)C)ccc1OC ZINC000825327733 628750493 /nfs/dbraw/zinc/75/04/93/628750493.db2.gz VFIVVGMTEPKUTK-UHFFFAOYSA-N 1 1 320.477 3.196 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2cc(Cl)c(C)cc2O)cn1 ZINC000825504793 628769826 /nfs/dbraw/zinc/76/98/26/628769826.db2.gz HYSBYOIZNMETGN-UHFFFAOYSA-N 1 1 306.793 3.390 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)CCS1 ZINC000825691800 628786099 /nfs/dbraw/zinc/78/60/99/628786099.db2.gz BVXWEPFTECBERK-SNVBAGLBSA-N 1 1 316.264 3.482 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CC=C(c3ccnn3C)CC2)cc1Cl ZINC000825882331 628806748 /nfs/dbraw/zinc/80/67/48/628806748.db2.gz IIBXZGVLGBSRDG-UHFFFAOYSA-N 1 1 317.820 3.377 20 10 DGCDMO Cc1cc(O)c(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1Cl ZINC000825935508 628811528 /nfs/dbraw/zinc/81/15/28/628811528.db2.gz WIDBZDOGJUHZRH-CZUORRHYSA-N 1 1 308.853 3.270 20 10 DGCDMO Cc1cc(O)c(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1Cl ZINC000825935508 628811530 /nfs/dbraw/zinc/81/15/30/628811530.db2.gz WIDBZDOGJUHZRH-CZUORRHYSA-N 1 1 308.853 3.270 20 10 DGCDMO CCOC1CC([N@@H+](C)Cc2ccc(Br)cc2O)C1 ZINC000825939838 628812444 /nfs/dbraw/zinc/81/24/44/628812444.db2.gz HZUTXXNHZKSTCL-UHFFFAOYSA-N 1 1 314.223 3.154 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000826016397 628820393 /nfs/dbraw/zinc/82/03/93/628820393.db2.gz IMOMJDUYBQRFGW-QGZVFWFLSA-N 1 1 308.853 3.272 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000826097027 628827769 /nfs/dbraw/zinc/82/77/69/628827769.db2.gz MNGMTFPJIVCAMD-NOZJJQNGSA-N 1 1 323.742 3.099 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826123354 628829928 /nfs/dbraw/zinc/82/99/28/628829928.db2.gz LHEQONBVCLSFCI-UONOGXRCSA-N 1 1 321.461 3.291 20 10 DGCDMO Cc1cccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1O ZINC000827195922 628935548 /nfs/dbraw/zinc/93/55/48/628935548.db2.gz BXJGSAUKTKNYKH-RBUKOAKNSA-N 1 1 311.425 3.299 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H](CCF)C3)cc2)CC1 ZINC000827270788 628943723 /nfs/dbraw/zinc/94/37/23/628943723.db2.gz FZHYKAXNHNFGFI-QGZVFWFLSA-N 1 1 319.468 3.010 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H](CCF)C3)cc2)CC1 ZINC000827270788 628943726 /nfs/dbraw/zinc/94/37/26/628943726.db2.gz FZHYKAXNHNFGFI-QGZVFWFLSA-N 1 1 319.468 3.010 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000827377151 628954738 /nfs/dbraw/zinc/95/47/38/628954738.db2.gz QRDFGOCOOOXMFI-KSSFIOAISA-N 1 1 305.418 3.182 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)c1O ZINC000827545218 628969475 /nfs/dbraw/zinc/96/94/75/628969475.db2.gz WXWAIWHFIKXIDK-KRWDZBQOSA-N 1 1 312.413 3.112 20 10 DGCDMO COc1cc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c(O)c(C(C)(C)C)c1 ZINC000827692393 628983532 /nfs/dbraw/zinc/98/35/32/628983532.db2.gz IIXVKAJMRAJELX-YJYMSZOUSA-N 1 1 321.461 3.149 20 10 DGCDMO CC[N@@H+](CCOc1ccccc1OC)Cc1ccccc1O ZINC000827762697 628989530 /nfs/dbraw/zinc/98/95/30/628989530.db2.gz QYIAQHNMTDPFKT-UHFFFAOYSA-N 1 1 301.386 3.302 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](CCC[C@H]3CCOC3)CC2)cc1 ZINC000827802237 628992851 /nfs/dbraw/zinc/99/28/51/628992851.db2.gz CULRWJWGQZHOPC-KRWDZBQOSA-N 1 1 318.461 3.024 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C2(CO)CCC2)c(C(F)(F)F)c1 ZINC000827903412 629002105 /nfs/dbraw/zinc/00/21/05/629002105.db2.gz HBWWPRQHDWTPKP-UHFFFAOYSA-N 1 1 316.367 3.118 20 10 DGCDMO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1O ZINC000827937053 629005473 /nfs/dbraw/zinc/00/54/73/629005473.db2.gz JDTVPRLFKHPCNR-HUUCEWRRSA-N 1 1 316.445 3.224 20 10 DGCDMO [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000827951071 629007204 /nfs/dbraw/zinc/00/72/04/629007204.db2.gz VLJRXFPOQNLYHO-AWEZNQCLSA-N 1 1 308.853 3.257 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000827962815 629008864 /nfs/dbraw/zinc/00/88/64/629008864.db2.gz UECNFNVPISEDAO-MEDUHNTESA-N 1 1 315.360 3.035 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000827962815 629008865 /nfs/dbraw/zinc/00/88/65/629008865.db2.gz UECNFNVPISEDAO-MEDUHNTESA-N 1 1 315.360 3.035 20 10 DGCDMO C[C@H](C(=O)N[C@@H](C)c1ccccc1O)[N@@H+]1CCc2ccccc2C1 ZINC000827978375 629010595 /nfs/dbraw/zinc/01/05/95/629010595.db2.gz RBSNOXPBGJAAMH-LSDHHAIUSA-N 1 1 324.424 3.016 20 10 DGCDMO C[C@H](C(=O)N[C@@H](C)c1ccccc1O)[N@H+]1CCc2ccccc2C1 ZINC000827978375 629010599 /nfs/dbraw/zinc/01/05/99/629010599.db2.gz RBSNOXPBGJAAMH-LSDHHAIUSA-N 1 1 324.424 3.016 20 10 DGCDMO COC1CCN(c2ccc(C[N@@H+](C)CC(C)(C)OC)cc2)CC1 ZINC000828041902 629017468 /nfs/dbraw/zinc/01/74/68/629017468.db2.gz YPPOPZXJGJYXCQ-UHFFFAOYSA-N 1 1 320.477 3.159 20 10 DGCDMO O=C(C1=CC(=O)CS1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000828454232 629056108 /nfs/dbraw/zinc/05/61/08/629056108.db2.gz RCEIRHNKZDCJQL-UHFFFAOYSA-N 1 1 316.426 3.196 20 10 DGCDMO C[C@@H](c1ccccc1)[N@@H+](CC[S@@](C)=O)Cc1ccccc1O ZINC000828564200 629068579 /nfs/dbraw/zinc/06/85/79/629068579.db2.gz NNOQTXXVHWDKCI-OYHNWAKOSA-N 1 1 317.454 3.334 20 10 DGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@H](C)[C@@H](F)C3)cc2)CC1 ZINC000828736603 629087028 /nfs/dbraw/zinc/08/70/28/629087028.db2.gz HHYFYXWCVWNEAY-KXBFYZLASA-N 1 1 320.452 3.482 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000831165803 629345254 /nfs/dbraw/zinc/34/52/54/629345254.db2.gz NCFKTAATLTVXCS-OTWHNJEPSA-N 1 1 302.462 3.268 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1C ZINC000831527002 629386073 /nfs/dbraw/zinc/38/60/73/629386073.db2.gz BBBYJJATGTWFIX-ZUZCIYMTSA-N 1 1 311.809 3.105 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC2CCOCC2)c1 ZINC000834818516 629783773 /nfs/dbraw/zinc/78/37/73/629783773.db2.gz MYSWTACMYDXSMW-CYBMUJFWSA-N 1 1 321.417 3.036 20 10 DGCDMO C[C@@H](CCO)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000834829946 629786101 /nfs/dbraw/zinc/78/61/01/629786101.db2.gz AGIJUFUEFBIGSR-GHMZBOCLSA-N 1 1 305.340 3.470 20 10 DGCDMO CO[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)Cc1ccccc1 ZINC000834856024 629791580 /nfs/dbraw/zinc/79/15/80/629791580.db2.gz KFIHBPJMJXCOAT-XJKSGUPXSA-N 1 1 303.377 3.440 20 10 DGCDMO C[C@@H]([NH2+]CC1=CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000834861298 629792826 /nfs/dbraw/zinc/79/28/26/629792826.db2.gz YZSQLEVAJNKTDH-SNVBAGLBSA-N 1 1 301.308 3.408 20 10 DGCDMO C[C@H](CCCO)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000834870808 629794117 /nfs/dbraw/zinc/79/41/17/629794117.db2.gz KNWHJIDBWLSEEQ-MNOVXSKESA-N 1 1 305.340 3.470 20 10 DGCDMO CN(C)c1ccc(/C=C/CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000835026451 629828100 /nfs/dbraw/zinc/82/81/00/629828100.db2.gz WSOWXFMZEVLPMY-SUQGKYDKSA-N 1 1 301.478 3.039 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@H]2CCCN(C)C2)cc1 ZINC000835026451 629828121 /nfs/dbraw/zinc/82/81/21/629828121.db2.gz WSOWXFMZEVLPMY-SUQGKYDKSA-N 1 1 301.478 3.039 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1 ZINC000835026451 629828125 /nfs/dbraw/zinc/82/81/25/629828125.db2.gz WSOWXFMZEVLPMY-SUQGKYDKSA-N 1 1 301.478 3.039 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000835028780 629829355 /nfs/dbraw/zinc/82/93/55/629829355.db2.gz SHFPVUGEKRYWMS-JUGMSXHOSA-N 1 1 310.445 3.299 20 10 DGCDMO C[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@H](C2CC2)O1 ZINC000835055028 629838291 /nfs/dbraw/zinc/83/82/91/629838291.db2.gz UZKGNEMOGQIEJA-FKXXJOMMSA-N 1 1 300.446 3.265 20 10 DGCDMO CCOc1ccc(C[N@H+](Cc2cnn(C)c2)CC(C)C)c(O)c1 ZINC000835077182 629844929 /nfs/dbraw/zinc/84/49/29/629844929.db2.gz QJXYXEWEAIJMAG-UHFFFAOYSA-N 1 1 317.433 3.183 20 10 DGCDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cc(Cl)ccc1O ZINC000835076751 629845407 /nfs/dbraw/zinc/84/54/07/629845407.db2.gz LHHZNCDRLIGDGB-UHFFFAOYSA-N 1 1 307.825 3.437 20 10 DGCDMO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)c1 ZINC000840869739 630369707 /nfs/dbraw/zinc/36/97/07/630369707.db2.gz PSJPJGFJGXNTCL-JTQLQIEISA-N 1 1 311.307 3.360 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cn2nccc2-c2ccncc2)cc1 ZINC000104052481 630376638 /nfs/dbraw/zinc/37/66/38/630376638.db2.gz BAKXZCXYXQDESB-UHFFFAOYSA-N 1 1 321.428 3.101 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000840920814 630378929 /nfs/dbraw/zinc/37/89/29/630378929.db2.gz JYWIZTZWFKFXNW-ROUUACIJSA-N 1 1 302.462 3.310 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000840940506 630381396 /nfs/dbraw/zinc/38/13/96/630381396.db2.gz CRWUPHFJQPHEAU-KRWDZBQOSA-N 1 1 312.461 3.174 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840957050 630385356 /nfs/dbraw/zinc/38/53/56/630385356.db2.gz HZCJBTNSMWNYTB-VQTJNVASSA-N 1 1 310.441 3.369 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c(O)c1 ZINC000840970408 630388953 /nfs/dbraw/zinc/38/89/53/630388953.db2.gz QEFAMXDNXSATGG-SFHVURJKSA-N 1 1 319.445 3.428 20 10 DGCDMO Fc1cc(C[N@H+]2CC[C@H](C3CCC3)C2)ccc1N1CCOCC1 ZINC000840977220 630390233 /nfs/dbraw/zinc/39/02/33/630390233.db2.gz GJRDUYOJBOXZCM-KRWDZBQOSA-N 1 1 318.436 3.284 20 10 DGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cc3ccccc3o2)cc1 ZINC000841043945 630401345 /nfs/dbraw/zinc/40/13/45/630401345.db2.gz RQJSAQXTBANUKZ-GOSISDBHSA-N 1 1 309.413 3.288 20 10 DGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000841045731 630401765 /nfs/dbraw/zinc/40/17/65/630401765.db2.gz OZKRINLRUXVLSN-KRWDZBQOSA-N 1 1 321.827 3.335 20 10 DGCDMO [NH3+][C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H]1c1ccccc1F ZINC000841104497 630408560 /nfs/dbraw/zinc/40/85/60/630408560.db2.gz SNATWWYEJIPXPQ-XJKSGUPXSA-N 1 1 320.795 3.111 20 10 DGCDMO COCCCC[N@@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000841690849 630455098 /nfs/dbraw/zinc/45/50/98/630455098.db2.gz NAMMQHYTNMEOHD-UHFFFAOYSA-N 1 1 303.402 3.412 20 10 DGCDMO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(Cl)cc1O ZINC000841746147 630461621 /nfs/dbraw/zinc/46/16/21/630461621.db2.gz CSXVNBVQGIAKGK-SNVBAGLBSA-N 1 1 318.795 3.426 20 10 DGCDMO CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753184 630462348 /nfs/dbraw/zinc/46/23/48/630462348.db2.gz KXCGXXMJSUOODM-ZDUSSCGKSA-N 1 1 314.857 3.055 20 10 DGCDMO COc1cc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c(O)cc1C ZINC000842622956 630554711 /nfs/dbraw/zinc/55/47/11/630554711.db2.gz DKNDSYGJGRZEJC-LJQANCHMSA-N 1 1 315.413 3.049 20 10 DGCDMO COc1cc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c(O)cc1C ZINC000842622955 630555105 /nfs/dbraw/zinc/55/51/05/630555105.db2.gz DKNDSYGJGRZEJC-IBGZPJMESA-N 1 1 315.413 3.049 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccc(F)cc1O ZINC000842918693 630593535 /nfs/dbraw/zinc/59/35/35/630593535.db2.gz VLHVFTIXRJVFOU-CDHAZOANSA-N 1 1 316.376 3.497 20 10 DGCDMO CCN(CC)c1ccc(CN(C2CC2)C2CC[NH2+]CC2)cc1F ZINC000843043689 630607675 /nfs/dbraw/zinc/60/76/75/630607675.db2.gz CTOLDXAMKAUEAL-UHFFFAOYSA-N 1 1 319.468 3.388 20 10 DGCDMO Cc1cc([O-])c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000843126295 630616483 /nfs/dbraw/zinc/61/64/83/630616483.db2.gz HXNGMWCTOOXXBI-CQSZACIVSA-N 1 1 308.853 3.176 20 10 DGCDMO Nc1cccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000843356395 630649142 /nfs/dbraw/zinc/64/91/42/630649142.db2.gz MVNGRJVADRQZSH-SFHVURJKSA-N 1 1 312.413 3.156 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1F ZINC000843420789 630655803 /nfs/dbraw/zinc/65/58/03/630655803.db2.gz HPXMBSCWIQTAIE-QAPCUYQASA-N 1 1 306.425 3.283 20 10 DGCDMO Cc1nnsc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000844276477 630715381 /nfs/dbraw/zinc/71/53/81/630715381.db2.gz CXKICXSHQJHPHZ-UHFFFAOYSA-N 1 1 302.447 3.077 20 10 DGCDMO Cc1nnsc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000844276477 630715382 /nfs/dbraw/zinc/71/53/82/630715382.db2.gz CXKICXSHQJHPHZ-UHFFFAOYSA-N 1 1 302.447 3.077 20 10 DGCDMO COc1ccc(N(C)CC[N@H+](C)Cc2nc(C)cs2)cc1 ZINC000844401746 630724805 /nfs/dbraw/zinc/72/48/05/630724805.db2.gz PNQOFYRMGRFKQN-UHFFFAOYSA-N 1 1 305.447 3.028 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2nc(C)cs2)cc1 ZINC000844401746 630724806 /nfs/dbraw/zinc/72/48/06/630724806.db2.gz PNQOFYRMGRFKQN-UHFFFAOYSA-N 1 1 305.447 3.028 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)CCCC2CCOCC2)cc1 ZINC000844401488 630724849 /nfs/dbraw/zinc/72/48/49/630724849.db2.gz MHESGEUECJJHGW-UHFFFAOYSA-N 1 1 320.477 3.270 20 10 DGCDMO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000844759732 630845438 /nfs/dbraw/zinc/84/54/38/630845438.db2.gz RLWICUOKTYTZJT-AWEZNQCLSA-N 1 1 323.433 3.261 20 10 DGCDMO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000844759732 630845442 /nfs/dbraw/zinc/84/54/42/630845442.db2.gz RLWICUOKTYTZJT-AWEZNQCLSA-N 1 1 323.433 3.261 20 10 DGCDMO COc1cccc([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)c1O ZINC000846147252 631212002 /nfs/dbraw/zinc/21/20/02/631212002.db2.gz UAJYCEMGZUYFIE-ZDUSSCGKSA-N 1 1 306.450 3.314 20 10 DGCDMO COc1cccc([C@@H](C)[NH2+]Cc2csc([C@H](C)OC)n2)c1O ZINC000846148825 631212393 /nfs/dbraw/zinc/21/23/93/631212393.db2.gz HWLXGEDIUQTXDC-MNOVXSKESA-N 1 1 322.430 3.416 20 10 DGCDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846475664 631250740 /nfs/dbraw/zinc/25/07/40/631250740.db2.gz DYMGSVSWLXKKJC-NSHDSACASA-N 1 1 321.808 3.072 20 10 DGCDMO COCCC[N@@H+](Cc1ccncc1)Cc1cc(C)c(C)cc1O ZINC000106856025 631475532 /nfs/dbraw/zinc/47/55/32/631475532.db2.gz DBNWMFQDCHHGHN-UHFFFAOYSA-N 1 1 314.429 3.443 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC2(CCCCC2)O1 ZINC000848505676 631672228 /nfs/dbraw/zinc/67/22/28/631672228.db2.gz LLFPQSGJPDHDJK-ZDUSSCGKSA-N 1 1 319.401 3.045 20 10 DGCDMO CCc1cccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1O ZINC000848882730 631769210 /nfs/dbraw/zinc/76/92/10/631769210.db2.gz ZOIVFNPSCSPKSS-GOSISDBHSA-N 1 1 324.424 3.018 20 10 DGCDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CC)c2O)C1 ZINC000848884650 631770775 /nfs/dbraw/zinc/77/07/75/631770775.db2.gz JCPWEKHDXGKBEJ-KRWDZBQOSA-N 1 1 318.461 3.083 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1O ZINC000848912505 631784346 /nfs/dbraw/zinc/78/43/46/631784346.db2.gz GWSKHGCZOHYLSK-FQEVSTJZSA-N 1 1 311.425 3.091 20 10 DGCDMO CCc1ccc(C)nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000849347425 631899565 /nfs/dbraw/zinc/89/95/65/631899565.db2.gz JAIPCFQIRQHJNJ-UHFFFAOYSA-N 1 1 324.472 3.316 20 10 DGCDMO COc1cc(C[NH2+][C@@H](C)CCN(C)C)c(O)c(C(C)(C)C)c1 ZINC000850097174 632055227 /nfs/dbraw/zinc/05/52/27/632055227.db2.gz SWFHSZNXHDMSIH-ZDUSSCGKSA-N 1 1 308.466 3.128 20 10 DGCDMO COc1cc(C[NH2+]C[C@@H]2CCCN(C)C2)c(O)c(C(C)(C)C)c1 ZINC000850128653 632061915 /nfs/dbraw/zinc/06/19/15/632061915.db2.gz GNHWGAAYAFMQGE-AWEZNQCLSA-N 1 1 320.477 3.130 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC2(CSC)CC2)c1 ZINC000850508625 632174537 /nfs/dbraw/zinc/17/45/37/632174537.db2.gz VDFOFJWOSZFQLG-LBPRGKRZSA-N 1 1 323.458 3.363 20 10 DGCDMO COc1cccc(OC)c1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000850505607 632174661 /nfs/dbraw/zinc/17/46/61/632174661.db2.gz TZLQYLGIDSFXJB-LLVKDONJSA-N 1 1 305.349 3.399 20 10 DGCDMO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1cccc(C(F)(F)F)c1O ZINC000850547243 632188938 /nfs/dbraw/zinc/18/89/38/632188938.db2.gz SHMIKZJNZNUJAD-TVYUQYBPSA-N 1 1 315.335 3.365 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C(C)(C)C2(F)F)c1 ZINC000850553203 632191021 /nfs/dbraw/zinc/19/10/21/632191021.db2.gz UAFAJBYLDWUHQA-NOZJJQNGSA-N 1 1 313.344 3.121 20 10 DGCDMO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(F)cc1O ZINC000850553883 632191106 /nfs/dbraw/zinc/19/11/06/632191106.db2.gz ALMHKVAQDNCQKW-DOMZBBRYSA-N 1 1 322.424 3.219 20 10 DGCDMO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)Cc1ccccc1O ZINC000109770788 632316303 /nfs/dbraw/zinc/31/63/03/632316303.db2.gz NAVGWNNHNVRZBY-NSHDSACASA-N 1 1 320.339 3.129 20 10 DGCDMO CCN(C)c1ccc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000852106467 632555999 /nfs/dbraw/zinc/55/59/99/632555999.db2.gz YVDAKHGIJJCTCM-LJQANCHMSA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(C)c1ccc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000852106467 632556003 /nfs/dbraw/zinc/55/60/03/632556003.db2.gz YVDAKHGIJJCTCM-LJQANCHMSA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000852106467 632556006 /nfs/dbraw/zinc/55/60/06/632556006.db2.gz YVDAKHGIJJCTCM-LJQANCHMSA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC000852106467 632556013 /nfs/dbraw/zinc/55/60/13/632556013.db2.gz YVDAKHGIJJCTCM-LJQANCHMSA-N 1 1 301.478 3.060 20 10 DGCDMO CC[N@@H+](Cc1ccccc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184801003 660187680 /nfs/dbraw/zinc/18/76/80/660187680.db2.gz VBSIZDFXYCEKEV-LJQANCHMSA-N 1 1 310.441 3.489 20 10 DGCDMO COCC1=CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000185035361 660199891 /nfs/dbraw/zinc/19/98/91/660199891.db2.gz UQXYNAWTDQLPTH-UHFFFAOYSA-N 1 1 305.418 3.174 20 10 DGCDMO CN(C)c1ccc(C[NH2+]Cc2occc2Br)cc1 ZINC000227364584 659154278 /nfs/dbraw/zinc/15/42/78/659154278.db2.gz ZDWGHIPAOREFMD-UHFFFAOYSA-N 1 1 309.207 3.398 20 10 DGCDMO CCOCC[N@@H+](CC)Cc1ccc(Br)cc1O ZINC000701171410 660659447 /nfs/dbraw/zinc/65/94/47/660659447.db2.gz BNHWAFSAYMFSLV-UHFFFAOYSA-N 1 1 302.212 3.013 20 10 DGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707146314 660893728 /nfs/dbraw/zinc/89/37/28/660893728.db2.gz NBHKGFPIMAFEKW-AWEZNQCLSA-N 1 1 314.223 3.156 20 10 DGCDMO CCC[C@@H](C[NH2+]Cc1cccc(Br)c1O)OCC ZINC000707865652 660917335 /nfs/dbraw/zinc/91/73/35/660917335.db2.gz SKXIQPBKDMKXBS-LBPRGKRZSA-N 1 1 316.239 3.450 20 10 DGCDMO C[C@@H]1COCCC[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792827826 660986913 /nfs/dbraw/zinc/98/69/13/660986913.db2.gz FKKDRBOKKOSEAD-GFCCVEGCSA-N 1 1 316.367 3.382 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(O)cc1C ZINC000794650774 661096124 /nfs/dbraw/zinc/09/61/24/661096124.db2.gz MSGCFZXDAVAFDS-CMPLNLGQSA-N 1 1 303.324 3.482 20 10 DGCDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000794706327 661100054 /nfs/dbraw/zinc/10/00/54/661100054.db2.gz OVZRDCCQHSSANP-BBRMVZONSA-N 1 1 305.418 3.076 20 10 DGCDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000795697246 661168401 /nfs/dbraw/zinc/16/84/01/661168401.db2.gz CAJNXWKHSXNFNK-DNVCBOLYSA-N 1 1 314.473 3.330 20 10 DGCDMO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc2c(cc1O)CCCC2 ZINC000795697246 661168404 /nfs/dbraw/zinc/16/84/04/661168404.db2.gz CAJNXWKHSXNFNK-DNVCBOLYSA-N 1 1 314.473 3.330 20 10 DGCDMO C[NH+](C)Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1Cl ZINC000795938373 661180902 /nfs/dbraw/zinc/18/09/02/661180902.db2.gz VMLDIHIWIAMPMS-UHFFFAOYSA-N 1 1 310.806 3.421 20 10 DGCDMO CC[N@@H+](Cc1cnn2ccccc12)Cc1ccc(N(C)C)cc1 ZINC000179491344 655893887 /nfs/dbraw/zinc/89/38/87/655893887.db2.gz WDEOVIHXHAKJOI-UHFFFAOYSA-N 1 1 308.429 3.422 20 10 DGCDMO CN(C[C@@H]1CCC[N@H+]1Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000179584569 655909429 /nfs/dbraw/zinc/90/94/29/655909429.db2.gz ZQNANYGIWHHQCH-HNNXBMFYSA-N 1 1 320.433 3.224 20 10 DGCDMO CCOC[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000177628741 655936263 /nfs/dbraw/zinc/93/62/63/655936263.db2.gz GSOAGVPKABOADR-CQSZACIVSA-N 1 1 315.413 3.412 20 10 DGCDMO CCOC[C@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000177628751 655936302 /nfs/dbraw/zinc/93/63/02/655936302.db2.gz GSOAGVPKABOADR-AWEZNQCLSA-N 1 1 315.413 3.412 20 10 DGCDMO COC1(C)CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000311166642 655981568 /nfs/dbraw/zinc/98/15/68/655981568.db2.gz QWVBDHXNDRPJJA-UHFFFAOYSA-N 1 1 314.223 3.156 20 10 DGCDMO OC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000293906646 656055844 /nfs/dbraw/zinc/05/58/44/656055844.db2.gz FTOQMUBUZWASIP-GOSISDBHSA-N 1 1 302.462 3.271 20 10 DGCDMO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000184916111 656122197 /nfs/dbraw/zinc/12/21/97/656122197.db2.gz JJEBZQJZMHSZQJ-NSHDSACASA-N 1 1 302.349 3.341 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)c1 ZINC000185471942 656126860 /nfs/dbraw/zinc/12/68/60/656126860.db2.gz KFZVRNIXLPBTBC-CXAGYDPISA-N 1 1 308.466 3.418 20 10 DGCDMO [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000312750998 656196605 /nfs/dbraw/zinc/19/66/05/656196605.db2.gz XBZQAPUQPOQPGN-NHYWBVRUSA-N 1 1 315.244 3.260 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000302992388 657506806 /nfs/dbraw/zinc/50/68/06/657506806.db2.gz FGSXZEIUWKYGCG-RHSMWYFYSA-N 1 1 314.404 3.456 20 10 DGCDMO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cccc(Br)c1O ZINC000304033566 657590368 /nfs/dbraw/zinc/59/03/68/657590368.db2.gz GYJYEMAGRXSAEJ-YGRLFVJLSA-N 1 1 316.239 3.041 20 10 DGCDMO COC[C@H]1C[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C[C@H](C)O1 ZINC000253295042 657667555 /nfs/dbraw/zinc/66/75/55/657667555.db2.gz MQJZEDXUZGUWAE-GOEBONIOSA-N 1 1 307.434 3.060 20 10 DGCDMO C[N@H+](Cc1cc2c(cc1O)OCO2)Cc1ccccc1Cl ZINC000016352955 658417901 /nfs/dbraw/zinc/41/79/01/658417901.db2.gz IZRUCRZWYWDTPT-UHFFFAOYSA-N 1 1 305.761 3.406 20 10 DGCDMO COC[C@H]1CCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164456278 658935040 /nfs/dbraw/zinc/93/50/40/658935040.db2.gz DDQBOULONFFTQM-CQSZACIVSA-N 1 1 307.434 3.309 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)cc1C(C)C ZINC000170728626 659231548 /nfs/dbraw/zinc/23/15/48/659231548.db2.gz GZRZQQRYIJHYFE-HNNXBMFYSA-N 1 1 318.461 3.302 20 10 DGCDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccc(NC(N)=O)cc1 ZINC000170789491 659237398 /nfs/dbraw/zinc/23/73/98/659237398.db2.gz ROZCOMNOGGVIFA-GHMZBOCLSA-N 1 1 317.364 3.434 20 10 DGCDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000179887939 659945692 /nfs/dbraw/zinc/94/56/92/659945692.db2.gz PXZVHAKJGAVGAI-SFHVURJKSA-N 1 1 316.445 3.204 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](CCO)Cc2ccc(C)cc2)c1 ZINC000180844798 659971802 /nfs/dbraw/zinc/97/18/02/659971802.db2.gz NXUOORITEVKKHW-UHFFFAOYSA-N 1 1 315.413 3.094 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cn(C)nc2C(C)(C)C)cc1 ZINC000183376282 660109133 /nfs/dbraw/zinc/10/91/33/660109133.db2.gz VWSKKUJPVYFRAO-UHFFFAOYSA-N 1 1 314.477 3.416 20 10 DGCDMO CCC[N@H+](Cc1nc(COC(C)C)no1)Cc1ccccc1O ZINC000929753745 661334836 /nfs/dbraw/zinc/33/48/36/661334836.db2.gz VJYDPZBNSKTMFM-UHFFFAOYSA-N 1 1 319.405 3.112 20 10 DGCDMO CCC[N@@H+](Cc1nc(COC(C)C)no1)Cc1ccccc1O ZINC000929753745 661334837 /nfs/dbraw/zinc/33/48/37/661334837.db2.gz VJYDPZBNSKTMFM-UHFFFAOYSA-N 1 1 319.405 3.112 20 10 DGCDMO CCCC[N@@H+](Cc1cnn(CCF)c1)Cc1ccccc1O ZINC000930351651 661391725 /nfs/dbraw/zinc/39/17/25/661391725.db2.gz QGXDZRFNWYJQEH-UHFFFAOYSA-N 1 1 305.397 3.361 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)ccc1N(C)C ZINC000932130485 661540200 /nfs/dbraw/zinc/54/02/00/661540200.db2.gz MECSGCIPXVVVNI-QGZVFWFLSA-N 1 1 312.461 3.174 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+]C2([C@H]3CCCCO3)CC2)c1O ZINC000933380010 661631442 /nfs/dbraw/zinc/63/14/42/661631442.db2.gz XUXMFJQVLOHPKB-OAHLLOKOSA-N 1 1 323.820 3.440 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2ccc(OC)c(F)c2)c(O)cc1C ZINC000159500683 661889449 /nfs/dbraw/zinc/88/94/49/661889449.db2.gz BBLKVHFTFXLWBN-UHFFFAOYSA-N 1 1 319.376 3.489 20 10 DGCDMO COc1cccc(C[NH2+]Cc2cccc(Br)c2O)c1 ZINC000048797180 661895789 /nfs/dbraw/zinc/89/57/89/661895789.db2.gz YDZGYOKHPKJKOX-UHFFFAOYSA-N 1 1 322.202 3.453 20 10 DGCDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(OC)c1O ZINC000187995658 661911207 /nfs/dbraw/zinc/91/12/07/661911207.db2.gz OEYGMXKIRCIXNS-KRWDZBQOSA-N 1 1 315.413 3.090 20 10 DGCDMO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000191573326 662072648 /nfs/dbraw/zinc/07/26/48/662072648.db2.gz ZHBRARDJTKXZJG-XJKSGUPXSA-N 1 1 303.377 3.094 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCOCC2CC2)c1O ZINC000088558715 662232421 /nfs/dbraw/zinc/23/24/21/662232421.db2.gz MMFWAEGGRCTBOQ-UHFFFAOYSA-N 1 1 311.809 3.107 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246741074 662273747 /nfs/dbraw/zinc/27/37/47/662273747.db2.gz OFYVKLGKVSSKBW-QFBILLFUSA-N 1 1 314.473 3.458 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246741074 662273749 /nfs/dbraw/zinc/27/37/49/662273749.db2.gz OFYVKLGKVSSKBW-QFBILLFUSA-N 1 1 314.473 3.458 20 10 DGCDMO CN1CCCc2cc(C[NH2+]Cc3ncc(Cl)s3)ccc21 ZINC000719445076 662288487 /nfs/dbraw/zinc/28/84/87/662288487.db2.gz YOVDLCGKNHNICE-UHFFFAOYSA-N 1 1 307.850 3.469 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCC([NH3+])CC1 ZINC000091843622 662321343 /nfs/dbraw/zinc/32/13/43/662321343.db2.gz VXJZNJMCJWCXHN-UHFFFAOYSA-N 1 1 303.233 3.401 20 10 DGCDMO CC[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H](C)O1 ZINC000247671448 662327182 /nfs/dbraw/zinc/32/71/82/662327182.db2.gz PXPXULYQJGJVKB-DOMZBBRYSA-N 1 1 307.434 3.395 20 10 DGCDMO OCc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000093319288 662352345 /nfs/dbraw/zinc/35/23/45/662352345.db2.gz OGAGTIOUNYJXMV-UHFFFAOYSA-N 1 1 301.386 3.422 20 10 DGCDMO COc1cccc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c1O ZINC000093324806 662352595 /nfs/dbraw/zinc/35/25/95/662352595.db2.gz IFBYATLEIJMXFA-CYBMUJFWSA-N 1 1 301.386 3.169 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](OCCC(C)C)C2)c1 ZINC000093476261 662355461 /nfs/dbraw/zinc/35/54/61/662355461.db2.gz NHSJSQYJBJLMPK-QGZVFWFLSA-N 1 1 307.434 3.428 20 10 DGCDMO COCCCC[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000397098090 685228971 /nfs/dbraw/zinc/22/89/71/685228971.db2.gz BQZXSUXHIRGJRB-UHFFFAOYSA-N 1 1 302.212 3.013 20 10 DGCDMO C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O ZINC000397773037 685231623 /nfs/dbraw/zinc/23/16/23/685231623.db2.gz VZNSGOUIQUBDIP-NSHDSACASA-N 1 1 324.396 3.049 20 10 DGCDMO Cc1cccc(C[N@H+](C)[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC001592230120 1192603696 /nfs/dbraw/zinc/60/36/96/1192603696.db2.gz LYVZEULRRYLRGJ-CYBMUJFWSA-N 1 1 323.400 3.074 20 10 DGCDMO CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCC[NH2+]C1 ZINC000110935848 1177876007 /nfs/dbraw/zinc/87/60/07/1177876007.db2.gz UIJFHALMSKLOCX-LBPRGKRZSA-N 1 1 303.233 3.273 20 10 DGCDMO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCC[NH2+]C1 ZINC000110935848 1177876016 /nfs/dbraw/zinc/87/60/16/1177876016.db2.gz UIJFHALMSKLOCX-LBPRGKRZSA-N 1 1 303.233 3.273 20 10 DGCDMO [O-]c1c(F)cc(F)cc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC001334343243 1178751482 /nfs/dbraw/zinc/75/14/82/1178751482.db2.gz VJSWAMGNBYTLLQ-HNNXBMFYSA-N 1 1 323.339 3.445 20 10 DGCDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc(N5CCCC5)cc4)[C@H]1[C@H]3C2 ZINC001343287877 1179252445 /nfs/dbraw/zinc/25/24/45/1179252445.db2.gz YOYVLWFSEHPQOT-CZKCSJLSSA-N 1 1 312.457 3.142 20 10 DGCDMO C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc2ccccc2c1O ZINC001347710368 1179816316 /nfs/dbraw/zinc/81/63/16/1179816316.db2.gz XKHQSDCVGUQEGR-UHFFFAOYSA-N 1 1 320.392 3.276 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]CC1(c2ccccn2)CCC1 ZINC001621319059 1193023673 /nfs/dbraw/zinc/02/36/73/1193023673.db2.gz VROBUKFOVWCYDP-UHFFFAOYSA-N 1 1 304.340 3.277 20 10 DGCDMO CCc1c[nH]c2nc[nH+]c(NCc3ccc4c(c3)CCCN4C)c12 ZINC001458133906 1182499180 /nfs/dbraw/zinc/49/91/80/1182499180.db2.gz WHRZZHCSGDWEQD-UHFFFAOYSA-N 1 1 321.428 3.466 20 10 DGCDMO CC[C@H]1CCCC[N@@H+]1CCNCc1ccc2c(c1)CCCO2 ZINC001461182749 1182779865 /nfs/dbraw/zinc/77/98/65/1182779865.db2.gz QSKAFPNAURPPJK-SFHVURJKSA-N 1 1 302.462 3.366 20 10 DGCDMO CC[C@H]1CCCC[N@H+]1CCNCc1ccc2c(c1)CCCO2 ZINC001461182749 1182779867 /nfs/dbraw/zinc/77/98/67/1182779867.db2.gz QSKAFPNAURPPJK-SFHVURJKSA-N 1 1 302.462 3.366 20 10 DGCDMO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cc(F)c(F)cc1O ZINC001462089964 1182906137 /nfs/dbraw/zinc/90/61/37/1182906137.db2.gz YMMWAAZQHVKCRS-LBPRGKRZSA-N 1 1 311.328 3.001 20 10 DGCDMO CCC1CCC([N@H+](CCO)Cc2cc(F)cc(F)c2O)CC1 ZINC001462183762 1182921260 /nfs/dbraw/zinc/92/12/60/1182921260.db2.gz NPAOPWCAMOPXCZ-UHFFFAOYSA-N 1 1 313.388 3.434 20 10 DGCDMO CCC1CCC([N@@H+](CCO)Cc2cc(F)cc(F)c2O)CC1 ZINC001462183762 1182921265 /nfs/dbraw/zinc/92/12/65/1182921265.db2.gz NPAOPWCAMOPXCZ-UHFFFAOYSA-N 1 1 313.388 3.434 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(O)c1 ZINC001462303984 1182936823 /nfs/dbraw/zinc/93/68/23/1182936823.db2.gz CUCPBMZYDRRAFO-IRXDYDNUSA-N 1 1 305.418 3.099 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC001462377204 1182943652 /nfs/dbraw/zinc/94/36/52/1182943652.db2.gz PXFTWUJTXLBPPA-HMECNJMJSA-N 1 1 300.446 3.267 20 10 DGCDMO CN(Cc1c(O)ccc(Cl)c1F)C(C)(C)C[NH+]1CCCC1 ZINC001462385316 1182944722 /nfs/dbraw/zinc/94/47/22/1182944722.db2.gz MPNBUFWZSRTHPB-UHFFFAOYSA-N 1 1 314.832 3.491 20 10 DGCDMO Oc1c(F)cccc1C[NH2+]Cc1cnccc1C(F)(F)F ZINC001462448376 1182954873 /nfs/dbraw/zinc/95/48/73/1182954873.db2.gz YYYQSOKMOPOFDC-UHFFFAOYSA-N 1 1 300.255 3.235 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC001462461438 1182956872 /nfs/dbraw/zinc/95/68/72/1182956872.db2.gz GMFRTUDEBRXLKM-UHFFFAOYSA-N 1 1 307.821 3.437 20 10 DGCDMO COC(=O)C(C)(C)C[N@H+](Cc1ccc(C)cc1O)CC(C)C ZINC001462544423 1182967181 /nfs/dbraw/zinc/96/71/81/1182967181.db2.gz WBWMBMMIOLIXDV-UHFFFAOYSA-N 1 1 307.434 3.358 20 10 DGCDMO Cc1cc(C[N@@H+]2CCN(C)C[C@@H]2CC(C)C)ccc1N(C)C ZINC001473824270 1183807264 /nfs/dbraw/zinc/80/72/64/1183807264.db2.gz DURWSGGKUXOTSS-SFHVURJKSA-N 1 1 303.494 3.223 20 10 DGCDMO Cc1cc(CN2CC[N@@H+](C)C[C@@H]2CC(C)C)ccc1N(C)C ZINC001473824270 1183807270 /nfs/dbraw/zinc/80/72/70/1183807270.db2.gz DURWSGGKUXOTSS-SFHVURJKSA-N 1 1 303.494 3.223 20 10 DGCDMO Cc1cc(CN2CC[N@H+](C)C[C@@H]2CC(C)C)ccc1N(C)C ZINC001473824270 1183807276 /nfs/dbraw/zinc/80/72/76/1183807276.db2.gz DURWSGGKUXOTSS-SFHVURJKSA-N 1 1 303.494 3.223 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc3nsnc32)cc1 ZINC001474307242 1183902020 /nfs/dbraw/zinc/90/20/20/1183902020.db2.gz GWLIPZKIANSRCI-UHFFFAOYSA-N 1 1 312.442 3.389 20 10 DGCDMO Cc1noc([C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C(C)C)n1 ZINC001474305731 1183902549 /nfs/dbraw/zinc/90/25/49/1183902549.db2.gz VLADVWXWKBKWTK-QGZVFWFLSA-N 1 1 314.433 3.465 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC001474378737 1183911698 /nfs/dbraw/zinc/91/16/98/1183911698.db2.gz GVEYRZGHMLCHQH-AJNOYIKESA-N 1 1 322.456 3.435 20 10 DGCDMO C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3O)C2)CC1 ZINC001474503761 1183932065 /nfs/dbraw/zinc/93/20/65/1183932065.db2.gz PYZIPNXJMCMCHE-CQSZACIVSA-N 1 1 308.853 3.209 20 10 DGCDMO C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)CC1 ZINC001474503761 1183932066 /nfs/dbraw/zinc/93/20/66/1183932066.db2.gz PYZIPNXJMCMCHE-CQSZACIVSA-N 1 1 308.853 3.209 20 10 DGCDMO C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)CC1 ZINC001474503761 1183932067 /nfs/dbraw/zinc/93/20/67/1183932067.db2.gz PYZIPNXJMCMCHE-CQSZACIVSA-N 1 1 308.853 3.209 20 10 DGCDMO CC[C@H](C)[NH+]1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC001474524732 1183934874 /nfs/dbraw/zinc/93/48/74/1183934874.db2.gz AMXSMRQJHSLGPD-NSHDSACASA-N 1 1 300.805 3.101 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001474671117 1183958585 /nfs/dbraw/zinc/95/85/85/1183958585.db2.gz RLVLCDJSDFUKFI-MWLCHTKSSA-N 1 1 301.814 3.370 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001474671117 1183958587 /nfs/dbraw/zinc/95/85/87/1183958587.db2.gz RLVLCDJSDFUKFI-MWLCHTKSSA-N 1 1 301.814 3.370 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2nccs2)c1 ZINC001560282132 1189305652 /nfs/dbraw/zinc/30/56/52/1189305652.db2.gz WBDAKLXEQFZSTO-UHFFFAOYSA-N 1 1 313.220 3.209 20 10 DGCDMO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001560462308 1189330954 /nfs/dbraw/zinc/33/09/54/1189330954.db2.gz HRTFXFKVAIJSME-CQSZACIVSA-N 1 1 314.832 3.395 20 10 DGCDMO CC(C)C1(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001560714805 1189367716 /nfs/dbraw/zinc/36/77/16/1189367716.db2.gz BFXZTMASRHJWQA-UHFFFAOYSA-N 1 1 302.462 3.391 20 10 DGCDMO C[C@H]([NH2+]Cc1cccc(F)c1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001560749247 1189374445 /nfs/dbraw/zinc/37/44/45/1189374445.db2.gz DHFXHZRXYPNANJ-DZGCQCFKSA-N 1 1 306.425 3.274 20 10 DGCDMO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC001576389939 1191581555 /nfs/dbraw/zinc/58/15/55/1191581555.db2.gz NIZYANAQFZRDRI-QRVBRYPASA-N 1 1 313.489 3.153 20 10 DGCDMO Oc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(Cl)cc1O)C2 ZINC001621292053 1193827801 /nfs/dbraw/zinc/82/78/01/1193827801.db2.gz OAPLTEUILJSNCO-HNNXBMFYSA-N 1 1 303.789 3.398 20 10 DGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C1COC1 ZINC001621353484 1193832099 /nfs/dbraw/zinc/83/20/99/1193832099.db2.gz RODDCBGLSARDKF-UHFFFAOYSA-N 1 1 316.367 3.381 20 10 DGCDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(F)ccc1O ZINC001621399759 1193837958 /nfs/dbraw/zinc/83/79/58/1193837958.db2.gz OWXUNHSKEKHGET-STQMWFEESA-N 1 1 323.408 3.474 20 10 DGCDMO CCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCN(C)C1 ZINC001621407241 1193838537 /nfs/dbraw/zinc/83/85/37/1193838537.db2.gz RYSLBWVCRWDLSL-OVKVCFKUSA-N 1 1 301.478 3.182 20 10 DGCDMO CCCN(C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CC[N@H+](C)C1 ZINC001621407241 1193838541 /nfs/dbraw/zinc/83/85/41/1193838541.db2.gz RYSLBWVCRWDLSL-OVKVCFKUSA-N 1 1 301.478 3.182 20 10 DGCDMO CCCN(C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC001621407241 1193838543 /nfs/dbraw/zinc/83/85/43/1193838543.db2.gz RYSLBWVCRWDLSL-OVKVCFKUSA-N 1 1 301.478 3.182 20 10 DGCDMO CC1(C)CCC[C@@](O)(C[NH2+]Cc2cc(F)c(F)cc2O)CC1 ZINC001621477273 1193848154 /nfs/dbraw/zinc/84/81/54/1193848154.db2.gz KKYFBEZQYORZHJ-KRWDZBQOSA-N 1 1 313.388 3.481 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001621567211 1193859242 /nfs/dbraw/zinc/85/92/42/1193859242.db2.gz GCASHHFFDCMGBG-GOSISDBHSA-N 1 1 301.361 3.495 20 10 DGCDMO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001631159031 1194322527 /nfs/dbraw/zinc/32/25/27/1194322527.db2.gz HBFPOKSYFKIUQN-QGZVFWFLSA-N 1 1 318.461 3.253 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)ccc1N1CCCCC1 ZINC001642906443 1194953002 /nfs/dbraw/zinc/95/30/02/1194953002.db2.gz RZCBDUPYIXPZBC-AEFFLSMTSA-N 1 1 302.462 3.188 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CCC(C)(C)CO2)cc1 ZINC001646717684 1195236818 /nfs/dbraw/zinc/23/68/18/1195236818.db2.gz CVWCVDWXDOQZQT-GOSISDBHSA-N 1 1 320.477 3.268 20 10 DGCDMO C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[N@H+]1C1CCCC1 ZINC001648327719 1195292548 /nfs/dbraw/zinc/29/25/48/1195292548.db2.gz LPPCAZVKQOASGI-INIZCTEOSA-N 1 1 301.478 3.201 20 10 DGCDMO CC(C)N(CC[NH2+]C/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC001648689328 1195322437 /nfs/dbraw/zinc/32/24/37/1195322437.db2.gz TWAKDODVVBXCBM-FPLPWBNLSA-N 1 1 303.494 3.474 20 10 DGCDMO COC(=O)[C@H](C)C[N@@H+](Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC001652169133 1195557995 /nfs/dbraw/zinc/55/79/95/1195557995.db2.gz GBNUDZHYVWIHAE-LLVKDONJSA-N 1 1 311.809 3.128 20 10 DGCDMO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001652226475 1195565749 /nfs/dbraw/zinc/56/57/49/1195565749.db2.gz ATFNZCPVVMEYRO-SFHVURJKSA-N 1 1 304.434 3.006 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[S@](=O)C(C)(C)CC2)c1 ZINC001652471925 1195602312 /nfs/dbraw/zinc/60/23/12/1195602312.db2.gz VKGSTHZLIYCPCW-NRFANRHFSA-N 1 1 309.475 3.249 20 10 DGCDMO CC(C)[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)[C@@H](CO)C(C)C ZINC001652500218 1195606822 /nfs/dbraw/zinc/60/68/22/1195606822.db2.gz SZGCUUHUSVIGQG-BLLLJJGKSA-N 1 1 301.377 3.049 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]Cc1cnccc1C(F)(F)F ZINC001652856479 1195660902 /nfs/dbraw/zinc/66/09/02/1195660902.db2.gz ZNGIQFWPODAAGU-UHFFFAOYSA-N 1 1 318.245 3.374 20 10 DGCDMO Cc1ccc(C[N@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)c(O)c1 ZINC001653098335 1195687496 /nfs/dbraw/zinc/68/74/96/1195687496.db2.gz XHPMFHXHKGNMJF-AZUAARDMSA-N 1 1 309.409 3.101 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1 ZINC001655401476 1195913049 /nfs/dbraw/zinc/91/30/49/1195913049.db2.gz ZQHFDCXONAMVLD-QRVBRYPASA-N 1 1 302.462 3.268 20 10 DGCDMO CN(C)c1ccc(/C=C/CNCC(C)(C)C[NH+]2CCCC2)cc1 ZINC001656181526 1196014382 /nfs/dbraw/zinc/01/43/82/1196014382.db2.gz FOJJTALKBWNRNJ-BQYQJAHWSA-N 1 1 315.505 3.477 20 10 DGCDMO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001656445212 1196041184 /nfs/dbraw/zinc/04/11/84/1196041184.db2.gz FWLHSTXHSGROQF-INIZCTEOSA-N 1 1 318.461 3.369 20 10 DGCDMO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC001656445212 1196041185 /nfs/dbraw/zinc/04/11/85/1196041185.db2.gz FWLHSTXHSGROQF-INIZCTEOSA-N 1 1 318.461 3.369 20 10 DGCDMO CC[N@@H+]1CCCC[C@H]1CNC/C=C\c1ccc(N(C)C)cc1 ZINC001656461654 1196042168 /nfs/dbraw/zinc/04/21/68/1196042168.db2.gz CAUSMQDGXWQZDD-FQQSSWHASA-N 1 1 301.478 3.230 20 10 DGCDMO CC[N@H+]1CCCC[C@H]1CNC/C=C\c1ccc(N(C)C)cc1 ZINC001656461654 1196042171 /nfs/dbraw/zinc/04/21/71/1196042171.db2.gz CAUSMQDGXWQZDD-FQQSSWHASA-N 1 1 301.478 3.230 20 10 DGCDMO C[C@H](CNCc1ccc(N2CCCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001656761412 1196069861 /nfs/dbraw/zinc/06/98/61/1196069861.db2.gz NZXYUMRLLXERRX-QZTJIDSGSA-N 1 1 315.505 3.497 20 10 DGCDMO C[C@H](CNCc1ccc(N2CCCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001656761412 1196069868 /nfs/dbraw/zinc/06/98/68/1196069868.db2.gz NZXYUMRLLXERRX-QZTJIDSGSA-N 1 1 315.505 3.497 20 10 DGCDMO Cc1ccccc1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001656809259 1196073020 /nfs/dbraw/zinc/07/30/20/1196073020.db2.gz PXELQIKPTCOMCR-UHFFFAOYSA-N 1 1 313.420 3.498 20 10 DGCDMO CN(c1ccc(C[NH2+]Cc2nccn2C)cc1)C1CCCCC1 ZINC001657000160 1196091318 /nfs/dbraw/zinc/09/13/18/1196091318.db2.gz MVNSQFIWWFKDII-UHFFFAOYSA-N 1 1 312.461 3.479 20 10 DGCDMO CC[N@@H+](Cc1ccc(C)cc1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC001657209449 1196119099 /nfs/dbraw/zinc/11/90/99/1196119099.db2.gz XLANJBFLLXDOGH-GOSISDBHSA-N 1 1 324.424 3.328 20 10 DGCDMO COC(=O)c1c(C[N@@H+](C)CCC2CC2)c2cc(F)ccc2n1C ZINC001657228710 1196120807 /nfs/dbraw/zinc/12/08/07/1196120807.db2.gz DXJXFRXZPSIPHM-UHFFFAOYSA-N 1 1 318.392 3.336 20 10 DGCDMO CC[C@H](C[N@@H+](CC)Cc1cc(Br)ccc1O)OC ZINC001657431360 1196140776 /nfs/dbraw/zinc/14/07/76/1196140776.db2.gz LKXZZYLKADHYAQ-CYBMUJFWSA-N 1 1 316.239 3.402 20 10 DGCDMO COC(=O)CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC(C)C ZINC001657500189 1196149549 /nfs/dbraw/zinc/14/95/49/1196149549.db2.gz WWUKDHJEZBHQDM-VOTSOKGWSA-N 1 1 318.461 3.287 20 10 DGCDMO Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001657576039 1196157373 /nfs/dbraw/zinc/15/73/73/1196157373.db2.gz FWHABCBHPAXCHS-HNNXBMFYSA-N 1 1 320.433 3.142 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC001657663389 1196165868 /nfs/dbraw/zinc/16/58/68/1196165868.db2.gz RGCMSMPDKKXWDL-UHFFFAOYSA-N 1 1 319.351 3.154 20 10 DGCDMO CCCOc1ccc(CN[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1C ZINC001658176129 1196221414 /nfs/dbraw/zinc/22/14/14/1196221414.db2.gz ZHWJHHUFOMYWBH-OKZBNKHCSA-N 1 1 302.462 3.214 20 10 DGCDMO CCCOc1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1C ZINC001658176129 1196221415 /nfs/dbraw/zinc/22/14/15/1196221415.db2.gz ZHWJHHUFOMYWBH-OKZBNKHCSA-N 1 1 302.462 3.214 20 10 DGCDMO CC(C)c1ccc(O)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC001658192767 1196222949 /nfs/dbraw/zinc/22/29/49/1196222949.db2.gz CTROBVMJKGZHCE-IBGZPJMESA-N 1 1 302.462 3.433 20 10 DGCDMO CC(C)c1ccc(O)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC001658192767 1196222951 /nfs/dbraw/zinc/22/29/51/1196222951.db2.gz CTROBVMJKGZHCE-IBGZPJMESA-N 1 1 302.462 3.433 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC001658192767 1196222956 /nfs/dbraw/zinc/22/29/56/1196222956.db2.gz CTROBVMJKGZHCE-IBGZPJMESA-N 1 1 302.462 3.433 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC001658192767 1196222962 /nfs/dbraw/zinc/22/29/62/1196222962.db2.gz CTROBVMJKGZHCE-IBGZPJMESA-N 1 1 302.462 3.433 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC001658592307 1196277487 /nfs/dbraw/zinc/27/74/87/1196277487.db2.gz 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C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001205853336 1091379132 /nfs/dbraw/zinc/37/91/32/1091379132.db2.gz IAJDBOPJTLHIHW-HIFRSBDPSA-N 1 1 316.445 3.136 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])CCC[C@H]1C[NH3+] ZINC001206023162 1091455818 /nfs/dbraw/zinc/45/58/18/1091455818.db2.gz DKNXQFRCVIZMCF-CABCVRRESA-N 1 1 304.478 3.497 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])CCC[C@H]1C[NH3+] ZINC001206023162 1091455824 /nfs/dbraw/zinc/45/58/24/1091455824.db2.gz DKNXQFRCVIZMCF-CABCVRRESA-N 1 1 304.478 3.497 20 10 DGCDMO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCC[C@@H]1C[NH3+] ZINC001206025410 1091457508 /nfs/dbraw/zinc/45/75/08/1091457508.db2.gz NWIHWQLIGWCXSJ-NWDGAFQWSA-N 1 1 316.367 3.218 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCC[C@@H]1C[NH3+] ZINC001206025410 1091457514 /nfs/dbraw/zinc/45/75/14/1091457514.db2.gz NWIHWQLIGWCXSJ-NWDGAFQWSA-N 1 1 316.367 3.218 20 10 DGCDMO CC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 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301.478 3.059 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H](COCC3CC3)C2)ccc1N(C)C ZINC001139674169 1091639085 /nfs/dbraw/zinc/63/90/85/1091639085.db2.gz SMRXSFOUAYSQKK-GOSISDBHSA-N 1 1 302.462 3.310 20 10 DGCDMO Cc1ccccc1O[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140055544 1091752277 /nfs/dbraw/zinc/75/22/77/1091752277.db2.gz KENDHXFJIOKOSP-INIZCTEOSA-N 1 1 301.361 3.493 20 10 DGCDMO COc1ccccc1O[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140055644 1091752349 /nfs/dbraw/zinc/75/23/49/1091752349.db2.gz NWPOXUKQTKHBJI-OAHLLOKOSA-N 1 1 317.360 3.193 20 10 DGCDMO C[C@H]1C[C@@H](CF)[N@@H+](Cc2c(O)cccc2Br)C1 ZINC001140098673 1091766384 /nfs/dbraw/zinc/76/63/84/1091766384.db2.gz KPWGYBJNEIMTFD-UWVGGRQHSA-N 1 1 302.187 3.335 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1O ZINC001140181362 1091793999 /nfs/dbraw/zinc/79/39/99/1091793999.db2.gz TUMXRXVKSMXEDW-HXUWFJFHSA-N 1 1 322.408 3.105 20 10 DGCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](N3CCCC3)[C@@H](F)C2)c1O ZINC001140185983 1091794864 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VZKRCSKPTWWFBM-KRWDZBQOSA-N 1 1 301.478 3.249 20 10 DGCDMO CCCN1CCC([N@@H+](CC)Cc2ccc(N(C)C)cc2)CC1 ZINC001258777422 1106969799 /nfs/dbraw/zinc/96/97/99/1106969799.db2.gz VEQSVMSIPZQFTN-UHFFFAOYSA-N 1 1 303.494 3.449 20 10 DGCDMO Cc1cc(O)c(CN2CCC[N@H+]3CCC[C@H]3C2)cc1C(C)C ZINC001320931261 1107194355 /nfs/dbraw/zinc/19/43/55/1107194355.db2.gz VDENBDCYBWRKME-KRWDZBQOSA-N 1 1 302.462 3.494 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1O ZINC001261559659 1107465185 /nfs/dbraw/zinc/46/51/85/1107465185.db2.gz VFPFZZRWSXDZHQ-OAHLLOKOSA-N 1 1 313.445 3.143 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC001321942996 1107468556 /nfs/dbraw/zinc/46/85/56/1107468556.db2.gz DQUVYWOWOJYUJA-OALUTQOASA-N 1 1 300.446 3.430 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001262012424 1107574040 /nfs/dbraw/zinc/57/40/40/1107574040.db2.gz VXEVLWLUMDOKHX-IAGOWNOFSA-N 1 1 302.487 3.472 20 10 DGCDMO C[C@@H]1CCN(Cc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000382664936 1108159162 /nfs/dbraw/zinc/15/91/62/1108159162.db2.gz LNFLCYNSIPQIFT-QGZVFWFLSA-N 1 1 309.457 3.365 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000382664936 1108159166 /nfs/dbraw/zinc/15/91/66/1108159166.db2.gz LNFLCYNSIPQIFT-QGZVFWFLSA-N 1 1 309.457 3.365 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000382664936 1108159172 /nfs/dbraw/zinc/15/91/72/1108159172.db2.gz LNFLCYNSIPQIFT-QGZVFWFLSA-N 1 1 309.457 3.365 20 10 DGCDMO C[NH+](Cc1ccc(N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382756085 1108162786 /nfs/dbraw/zinc/16/27/86/1108162786.db2.gz INFSZWOYJGVNKL-LJQANCHMSA-N 1 1 309.457 3.223 20 10 DGCDMO C[NH+](Cc1ccc(N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382756085 1108162794 /nfs/dbraw/zinc/16/27/94/1108162794.db2.gz INFSZWOYJGVNKL-LJQANCHMSA-N 1 1 309.457 3.223 20 10 DGCDMO C[N@@H+](Cc1ccc(N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000382756085 1108162798 /nfs/dbraw/zinc/16/27/98/1108162798.db2.gz INFSZWOYJGVNKL-LJQANCHMSA-N 1 1 309.457 3.223 20 10 DGCDMO C[N@H+](Cc1ccc(N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000382756085 1108162802 /nfs/dbraw/zinc/16/28/02/1108162802.db2.gz INFSZWOYJGVNKL-LJQANCHMSA-N 1 1 309.457 3.223 20 10 DGCDMO CN(Cc1ccc(N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382756085 1108162807 /nfs/dbraw/zinc/16/28/07/1108162807.db2.gz INFSZWOYJGVNKL-LJQANCHMSA-N 1 1 309.457 3.223 20 10 DGCDMO CN(Cc1ccc(N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382756085 1108162811 /nfs/dbraw/zinc/16/28/11/1108162811.db2.gz INFSZWOYJGVNKL-LJQANCHMSA-N 1 1 309.457 3.223 20 10 DGCDMO CCCC[N@@H+](CC)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324702438 1108433063 /nfs/dbraw/zinc/43/30/63/1108433063.db2.gz YMEIZOYJXSARIB-UHFFFAOYSA-N 1 1 307.457 3.200 20 10 DGCDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC[NH+]1C ZINC001324745704 1108449693 /nfs/dbraw/zinc/44/96/93/1108449693.db2.gz FAKPBHBRIYQZLQ-APWZRJJASA-N 1 1 301.478 3.201 20 10 DGCDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001325131827 1108581421 /nfs/dbraw/zinc/58/14/21/1108581421.db2.gz IVHFNIFKZFFWGV-GOSISDBHSA-N 1 1 302.462 3.270 20 10 DGCDMO CCC[N@H+](Cc1c(Cl)nc(OC)n1C)Cc1ccccc1O ZINC001319716472 1108607336 /nfs/dbraw/zinc/60/73/36/1108607336.db2.gz RBPLLSCLKMDQMZ-UHFFFAOYSA-N 1 1 323.824 3.200 20 10 DGCDMO CCC[N@@H+](Cc1c(Cl)nc(OC)n1C)Cc1ccccc1O ZINC001319716472 1108607339 /nfs/dbraw/zinc/60/73/39/1108607339.db2.gz RBPLLSCLKMDQMZ-UHFFFAOYSA-N 1 1 323.824 3.200 20 10 DGCDMO CCN(CC)c1ccc(CN2CCC[N@H+]3CCC[C@H]3C2)cc1F ZINC001319814292 1108648442 /nfs/dbraw/zinc/64/84/42/1108648442.db2.gz AMRRDHFWCTZDEP-KRWDZBQOSA-N 1 1 319.468 3.342 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc(N(C)CC)cc1)C1CC1 ZINC001307695939 1111328224 /nfs/dbraw/zinc/32/82/24/1111328224.db2.gz SQFMYNNFFXJXTA-GOSISDBHSA-N 1 1 318.461 3.449 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc(N(C)CC)cc1)C1CC1 ZINC001307695939 1111328227 /nfs/dbraw/zinc/32/82/27/1111328227.db2.gz SQFMYNNFFXJXTA-GOSISDBHSA-N 1 1 318.461 3.449 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)c2cnn(C)c2)c1 ZINC001308282045 1111409856 /nfs/dbraw/zinc/40/98/56/1111409856.db2.gz CUIHNWNHZDCGRU-SNVBAGLBSA-N 1 1 324.222 3.047 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CC34CCCCC4)cc2)CC1 ZINC001308477397 1111432702 /nfs/dbraw/zinc/43/27/02/1111432702.db2.gz FOENBROVWOIWFT-LJQANCHMSA-N 1 1 313.489 3.251 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCOCC23CCCC3)cc1 ZINC001308622217 1111452098 /nfs/dbraw/zinc/45/20/98/1111452098.db2.gz KELXKGCFRBLSPZ-AATRIKPKSA-N 1 1 300.446 3.411 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCOCC23CCCC3)cc1 ZINC001308622217 1111452099 /nfs/dbraw/zinc/45/20/99/1111452099.db2.gz KELXKGCFRBLSPZ-AATRIKPKSA-N 1 1 300.446 3.411 20 10 DGCDMO CC(C)c1ccc(O)c(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC001308663205 1111457620 /nfs/dbraw/zinc/45/76/20/1111457620.db2.gz PYGDFBRYQWYNHI-UHFFFAOYSA-N 1 1 318.461 3.206 20 10 DGCDMO CCc1cccc(C[N@@H+]2CCOc3cccc(F)c3C2)c1O ZINC001308715029 1111465048 /nfs/dbraw/zinc/46/50/48/1111465048.db2.gz DKUTYBZMLMLPSL-UHFFFAOYSA-N 1 1 301.361 3.488 20 10 DGCDMO CCc1cccc(C[N@H+]2CCOc3cccc(F)c3C2)c1O ZINC001308715029 1111465050 /nfs/dbraw/zinc/46/50/50/1111465050.db2.gz DKUTYBZMLMLPSL-UHFFFAOYSA-N 1 1 301.361 3.488 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC001308875152 1111487445 /nfs/dbraw/zinc/48/74/45/1111487445.db2.gz NUQXMUPCUVPUHY-HNNXBMFYSA-N 1 1 318.367 3.035 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000092729778 185336397 /nfs/dbraw/zinc/33/63/97/185336397.db2.gz BBAWXIBOVWXXMH-OAHLLOKOSA-N 1 1 301.390 3.241 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000092729778 185336398 /nfs/dbraw/zinc/33/63/98/185336398.db2.gz BBAWXIBOVWXXMH-OAHLLOKOSA-N 1 1 301.390 3.241 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000092729780 185336573 /nfs/dbraw/zinc/33/65/73/185336573.db2.gz BBAWXIBOVWXXMH-HNNXBMFYSA-N 1 1 301.390 3.241 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000092729780 185336574 /nfs/dbraw/zinc/33/65/74/185336574.db2.gz BBAWXIBOVWXXMH-HNNXBMFYSA-N 1 1 301.390 3.241 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000179433405 432058132 /nfs/dbraw/zinc/05/81/32/432058132.db2.gz IXEIWZVULBBZQG-NSHDSACASA-N 1 1 319.323 3.184 20 10 DGCDMO COC(=O)c1oc([C@H](C)[N@@H+](C)Cc2ccccc2O)cc1C ZINC000091619335 193079431 /nfs/dbraw/zinc/07/94/31/193079431.db2.gz MPAUFGJRZFIUCB-LBPRGKRZSA-N 1 1 303.358 3.273 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C)c2cccnc2)c1O ZINC000093226829 193219206 /nfs/dbraw/zinc/21/92/06/193219206.db2.gz NTNJAHXWOSIJNF-LLVKDONJSA-N 1 1 302.349 3.322 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C)c2cccnc2)c1O ZINC000093226829 193219208 /nfs/dbraw/zinc/21/92/08/193219208.db2.gz NTNJAHXWOSIJNF-LLVKDONJSA-N 1 1 302.349 3.322 20 10 DGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093611680 193273747 /nfs/dbraw/zinc/27/37/47/193273747.db2.gz XDJZKMZLQSNQFT-OAHLLOKOSA-N 1 1 311.303 3.045 20 10 DGCDMO Cc1ccnc(OC2CC[NH+](Cc3cccc(F)c3O)CC2)c1 ZINC000272954978 130077778 /nfs/dbraw/zinc/07/77/78/130077778.db2.gz ORBCQZRLHHNBCK-UHFFFAOYSA-N 1 1 316.376 3.278 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2sccc2C)c1 ZINC000273370900 130112866 /nfs/dbraw/zinc/11/28/66/130112866.db2.gz GBPAISNUSVBLRO-NSHDSACASA-N 1 1 305.399 3.400 20 10 DGCDMO CCC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CCOCC1 ZINC000273588384 130140041 /nfs/dbraw/zinc/14/00/41/130140041.db2.gz OLPXCJXTVVFSSV-ZDUSSCGKSA-N 1 1 321.417 3.036 20 10 DGCDMO O=C1OCC[C@]12CCC[N@@H+]2Cc1cc(-c2ccccc2)ccc1O ZINC000275155241 130296292 /nfs/dbraw/zinc/29/62/92/130296292.db2.gz VJZINCXWTMFZQT-HXUWFJFHSA-N 1 1 323.392 3.341 20 10 DGCDMO CCOC1CC(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000285519788 131176709 /nfs/dbraw/zinc/17/67/09/131176709.db2.gz GIYZHSVJNZEUNJ-NXYGQSRBSA-N 1 1 319.445 3.188 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1ccc(F)cc1O ZINC000285987328 131214095 /nfs/dbraw/zinc/21/40/95/131214095.db2.gz HYVXNGKZTYYXCL-AEFFLSMTSA-N 1 1 319.376 3.314 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(F)cc1O ZINC000286157935 131221979 /nfs/dbraw/zinc/22/19/79/131221979.db2.gz PSUYSWDNOOZUPU-WBVHZDCISA-N 1 1 307.340 3.445 20 10 DGCDMO CC[C@H]([NH2+]Cc1ccc(OC)c(O)c1)c1ccc(F)cc1O ZINC000286341807 131231377 /nfs/dbraw/zinc/23/13/77/131231377.db2.gz YHLGYIXMZXOMFR-AWEZNQCLSA-N 1 1 305.349 3.486 20 10 DGCDMO Cc1cccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1O ZINC000289105688 131358974 /nfs/dbraw/zinc/35/89/74/131358974.db2.gz CLLUKANNWOWGTG-UHFFFAOYSA-N 1 1 300.358 3.283 20 10 DGCDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000093482181 400247461 /nfs/dbraw/zinc/24/74/61/400247461.db2.gz HOWHNLDGQNAIKW-APWZRJJASA-N 1 1 302.462 3.412 20 10 DGCDMO CO[C@@H]([C@H](C)[NH2+]Cc1cccc(Br)c1O)C1CC1 ZINC000388204393 685188314 /nfs/dbraw/zinc/18/83/14/685188314.db2.gz CPNVWVHNSULXRF-XPTSAGLGSA-N 1 1 314.223 3.058 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1O ZINC000246911015 432180091 /nfs/dbraw/zinc/18/00/91/432180091.db2.gz VWXZSFORUWKEPP-LRDDRELGSA-N 1 1 323.820 3.249 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1O ZINC000246911015 432180093 /nfs/dbraw/zinc/18/00/93/432180093.db2.gz VWXZSFORUWKEPP-LRDDRELGSA-N 1 1 323.820 3.249 20 10 DGCDMO COc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1O ZINC000179428853 274145942 /nfs/dbraw/zinc/14/59/42/274145942.db2.gz IAVNIUDWGNZZDT-QGZVFWFLSA-N 1 1 317.360 3.113 20 10 DGCDMO COc1cccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1O ZINC000179428853 274145943 /nfs/dbraw/zinc/14/59/43/274145943.db2.gz IAVNIUDWGNZZDT-QGZVFWFLSA-N 1 1 317.360 3.113 20 10 DGCDMO COc1ccc(N2CCN(c3cc[nH+]cc3Cl)CC2)cc1 ZINC000267419285 277417737 /nfs/dbraw/zinc/41/77/37/277417737.db2.gz UCHDOPDCEXNCJS-UHFFFAOYSA-N 1 1 303.793 3.070 20 10 DGCDMO C[N@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccccc1O ZINC000111235743 431200739 /nfs/dbraw/zinc/20/07/39/431200739.db2.gz OXQRNJPSUHQNAC-UHFFFAOYSA-N 1 1 313.332 3.213 20 10 DGCDMO C[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccccc1O ZINC000111235743 431200743 /nfs/dbraw/zinc/20/07/43/431200743.db2.gz OXQRNJPSUHQNAC-UHFFFAOYSA-N 1 1 313.332 3.213 20 10 DGCDMO Cc1noc(C)c1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070975947 431265357 /nfs/dbraw/zinc/26/53/57/431265357.db2.gz VHFHHIVDCDEVJA-INIZCTEOSA-N 1 1 316.401 3.178 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cnn(C)c2)cc1F ZINC000119688322 431713393 /nfs/dbraw/zinc/71/33/93/431713393.db2.gz CFDPNGZPZNSCDG-UHFFFAOYSA-N 1 1 304.413 3.037 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnn(C)c2)cc1F ZINC000119688322 431713399 /nfs/dbraw/zinc/71/33/99/431713399.db2.gz CFDPNGZPZNSCDG-UHFFFAOYSA-N 1 1 304.413 3.037 20 10 DGCDMO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1ccccc1O ZINC000121142900 431746473 /nfs/dbraw/zinc/74/64/73/431746473.db2.gz CNAHBKXCZZYZET-QLFBSQMISA-N 1 1 304.434 3.002 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2c2cccn2C)c1O ZINC000079395876 431721419 /nfs/dbraw/zinc/72/14/19/431721419.db2.gz VDJXZEDHVMBCLH-QGZVFWFLSA-N 1 1 316.376 3.410 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2cccn2C)c1O ZINC000079395876 431721425 /nfs/dbraw/zinc/72/14/25/431721425.db2.gz VDJXZEDHVMBCLH-QGZVFWFLSA-N 1 1 316.376 3.410 20 10 DGCDMO CCOc1cccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)c1O ZINC000093660020 431916991 /nfs/dbraw/zinc/91/69/91/431916991.db2.gz URMYIELZQDNIMF-INIZCTEOSA-N 1 1 306.450 3.097 20 10 DGCDMO CCCOc1ccc(CN2CC[C@H](C[N@H+](C)CCC)C2)c(O)c1 ZINC000093742340 431917671 /nfs/dbraw/zinc/91/76/71/431917671.db2.gz BQSPBLJIZBMYDX-MRXNPFEDSA-N 1 1 320.477 3.345 20 10 DGCDMO CCCOc1ccc(CN2CC[C@H](C[N@@H+](C)CCC)C2)c(O)c1 ZINC000093742340 431917674 /nfs/dbraw/zinc/91/76/74/431917674.db2.gz BQSPBLJIZBMYDX-MRXNPFEDSA-N 1 1 320.477 3.345 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c1O ZINC000093863963 431918121 /nfs/dbraw/zinc/91/81/21/431918121.db2.gz YONDUBUVRRJRLI-OAHLLOKOSA-N 1 1 315.417 3.034 20 10 DGCDMO Cc1nccn1CC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000270841281 432295572 /nfs/dbraw/zinc/29/55/72/432295572.db2.gz NTQXPGONRZOILW-UHFFFAOYSA-N 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CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)[nH]1 ZINC000277223584 432831248 /nfs/dbraw/zinc/83/12/48/432831248.db2.gz LMUYZDXPLXFUND-SDDRHHMPSA-N 1 1 318.421 3.444 20 10 DGCDMO CCC[N@H+](Cc1nncn1-c1ccccc1)Cc1ccccc1O ZINC000277626536 432864901 /nfs/dbraw/zinc/86/49/01/432864901.db2.gz GQNPOUXVEAAJHB-UHFFFAOYSA-N 1 1 322.412 3.385 20 10 DGCDMO CCC[N@@H+](Cc1nncn1-c1ccccc1)Cc1ccccc1O ZINC000277626536 432864903 /nfs/dbraw/zinc/86/49/03/432864903.db2.gz GQNPOUXVEAAJHB-UHFFFAOYSA-N 1 1 322.412 3.385 20 10 DGCDMO COc1c(O)c(C[N@H+]([C@H](C)C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000278284126 432890832 /nfs/dbraw/zinc/89/08/32/432890832.db2.gz UAQZPNJTXPADLX-SNVBAGLBSA-N 1 1 306.362 3.072 20 10 DGCDMO COc1c(O)c(C[N@@H+]([C@H](C)C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000278284126 432890835 /nfs/dbraw/zinc/89/08/35/432890835.db2.gz UAQZPNJTXPADLX-SNVBAGLBSA-N 1 1 306.362 3.072 20 10 DGCDMO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)[nH]1 ZINC000277489532 432854407 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CC[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(C)cc1O ZINC000280233408 433020654 /nfs/dbraw/zinc/02/06/54/433020654.db2.gz VKSXAKOCNDAMPZ-FUHWJXTLSA-N 1 1 320.477 3.242 20 10 DGCDMO C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587014 433104659 /nfs/dbraw/zinc/10/46/59/433104659.db2.gz VAXYGNJOAAFNHZ-IINYFYTJSA-N 1 1 317.260 3.471 20 10 DGCDMO C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587014 433104672 /nfs/dbraw/zinc/10/46/72/433104672.db2.gz VAXYGNJOAAFNHZ-IINYFYTJSA-N 1 1 317.260 3.471 20 10 DGCDMO C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587014 433104684 /nfs/dbraw/zinc/10/46/84/433104684.db2.gz VAXYGNJOAAFNHZ-IINYFYTJSA-N 1 1 317.260 3.471 20 10 DGCDMO C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587014 433104690 /nfs/dbraw/zinc/10/46/90/433104690.db2.gz VAXYGNJOAAFNHZ-IINYFYTJSA-N 1 1 317.260 3.471 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000290826777 433182250 /nfs/dbraw/zinc/18/22/50/433182250.db2.gz HERMFQUSRCMAAU-ZWKOTPCHSA-N 1 1 317.429 3.324 20 10 DGCDMO Cc1cccc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1O ZINC000281133938 433265858 /nfs/dbraw/zinc/26/58/58/433265858.db2.gz NSALAJOHZOBCNA-KRWDZBQOSA-N 1 1 324.424 3.186 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](O)CC(F)(F)F ZINC000282346010 433574248 /nfs/dbraw/zinc/57/42/48/433574248.db2.gz CFKZVYNOWPCJRK-CYBMUJFWSA-N 1 1 305.340 3.308 20 10 DGCDMO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc(Cl)ccc1O ZINC000282658905 433621450 /nfs/dbraw/zinc/62/14/50/433621450.db2.gz IILIVWABXZNPCI-JTQLQIEISA-N 1 1 308.813 3.243 20 10 DGCDMO CN(Cc1ccccc1O)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000377058312 433847364 /nfs/dbraw/zinc/84/73/64/433847364.db2.gz WABITVSAVDXUHU-QGZVFWFLSA-N 1 1 316.445 3.148 20 10 DGCDMO CCC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000293938237 433933423 /nfs/dbraw/zinc/93/34/23/433933423.db2.gz OAJTWNRIKNIRQR-OAHLLOKOSA-N 1 1 301.789 3.169 20 10 DGCDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000293938237 433933431 /nfs/dbraw/zinc/93/34/31/433933431.db2.gz OAJTWNRIKNIRQR-OAHLLOKOSA-N 1 1 301.789 3.169 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H](O)c1ccccc1 ZINC000293966677 433943900 /nfs/dbraw/zinc/94/39/00/433943900.db2.gz QHRIYNIWLGROMM-HWPZZCPQSA-N 1 1 309.768 3.396 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)c1 ZINC000294147409 434014104 /nfs/dbraw/zinc/01/41/04/434014104.db2.gz VFFPZHXLXJMTDE-GOSISDBHSA-N 1 1 307.434 3.021 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000377836164 434015157 /nfs/dbraw/zinc/01/51/57/434015157.db2.gz ZGRTZDRQUNOPCC-GJZGRUSLSA-N 1 1 305.418 3.039 20 10 DGCDMO COc1cccc(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1O ZINC000295008356 434160331 /nfs/dbraw/zinc/16/03/31/434160331.db2.gz JDIAIIDZZISAFJ-OAHLLOKOSA-N 1 1 321.804 3.220 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000295374511 434331155 /nfs/dbraw/zinc/33/11/55/434331155.db2.gz OPOCFXSGHRVVQA-SNVBAGLBSA-N 1 1 309.772 3.287 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000295374511 434331165 /nfs/dbraw/zinc/33/11/65/434331165.db2.gz OPOCFXSGHRVVQA-SNVBAGLBSA-N 1 1 309.772 3.287 20 10 DGCDMO CC[C@@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1ccc(F)cc1O ZINC000367599892 434553171 /nfs/dbraw/zinc/55/31/71/434553171.db2.gz ILCJFBRUNRWKKN-GOEBONIOSA-N 1 1 315.392 3.228 20 10 DGCDMO COc1cccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1O ZINC000367687362 434554637 /nfs/dbraw/zinc/55/46/37/434554637.db2.gz QJOVPEISUHOHCS-GJZGRUSLSA-N 1 1 305.418 3.039 20 10 DGCDMO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)c1 ZINC000368211264 434567897 /nfs/dbraw/zinc/56/78/97/434567897.db2.gz CUSGEGWBHBEPNB-XPTSAGLGSA-N 1 1 321.323 3.463 20 10 DGCDMO C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(F)cc1O ZINC000370372912 434611191 /nfs/dbraw/zinc/61/11/91/434611191.db2.gz GDHOZIJDSWMHQU-SJCJKPOMSA-N 1 1 300.377 3.369 20 10 DGCDMO c1coc([C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000371332708 434667912 /nfs/dbraw/zinc/66/79/12/434667912.db2.gz QXEBYYGOKQYFGV-KRWDZBQOSA-N 1 1 312.413 3.106 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)c1 ZINC000371395025 434690412 /nfs/dbraw/zinc/69/04/12/434690412.db2.gz CGBCRKZUKGERCG-MRXNPFEDSA-N 1 1 302.374 3.424 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2cc(C)on2)c1 ZINC000371395025 434690420 /nfs/dbraw/zinc/69/04/20/434690420.db2.gz CGBCRKZUKGERCG-MRXNPFEDSA-N 1 1 302.374 3.424 20 10 DGCDMO Cn1nccc1[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000372812800 434856150 /nfs/dbraw/zinc/85/61/50/434856150.db2.gz CCTFYDNWOBIGLJ-LLVKDONJSA-N 1 1 323.799 3.298 20 10 DGCDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000372812800 434856154 /nfs/dbraw/zinc/85/61/54/434856154.db2.gz CCTFYDNWOBIGLJ-LLVKDONJSA-N 1 1 323.799 3.298 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC(F)(F)C[C@@H]2C)c1O ZINC000528769776 435028984 /nfs/dbraw/zinc/02/89/84/435028984.db2.gz SRDXWEYTLKDFAW-VIFPVBQESA-N 1 1 301.308 3.354 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)c1O ZINC000528769776 435028985 /nfs/dbraw/zinc/02/89/85/435028985.db2.gz SRDXWEYTLKDFAW-VIFPVBQESA-N 1 1 301.308 3.354 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000530105515 435042838 /nfs/dbraw/zinc/04/28/38/435042838.db2.gz RKMAQLBBDUMQPU-UHFFFAOYSA-N 1 1 309.413 3.235 20 10 DGCDMO C[C@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000293763617 335113019 /nfs/dbraw/zinc/11/30/19/335113019.db2.gz ZFUYKOBTCAASBU-INIZCTEOSA-N 1 1 309.768 3.182 20 10 DGCDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000295170905 335130715 /nfs/dbraw/zinc/13/07/15/335130715.db2.gz UGCFUPDAWOCLHS-KRWDZBQOSA-N 1 1 315.413 3.174 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](Cc3ccccc3O)CC2)cc1 ZINC000179562412 534002749 /nfs/dbraw/zinc/00/27/49/534002749.db2.gz HQCGQPSPTBHREA-UHFFFAOYSA-N 1 1 312.413 3.113 20 10 DGCDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180020545 521051601 /nfs/dbraw/zinc/05/16/01/521051601.db2.gz 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/nfs/dbraw/zinc/26/45/27/523264527.db2.gz KIHBBFPOXSAJIZ-UHFFFAOYSA-N 1 1 317.820 3.208 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)cc1O ZINC000131277734 524006971 /nfs/dbraw/zinc/00/69/71/524006971.db2.gz FPFOWRZVTNJZCO-UHFFFAOYSA-N 1 1 318.392 3.238 20 10 DGCDMO CCc1ccc([C@H](COC)[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000174476085 524050643 /nfs/dbraw/zinc/05/06/43/524050643.db2.gz LFOPVZMZOXRNGW-INIZCTEOSA-N 1 1 301.386 3.254 20 10 DGCDMO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)CC1OCCO1 ZINC000180217739 526094370 /nfs/dbraw/zinc/09/43/70/526094370.db2.gz RPKJHQDOBZBAJH-OAHLLOKOSA-N 1 1 313.397 3.328 20 10 DGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000180363398 526325392 /nfs/dbraw/zinc/32/53/92/526325392.db2.gz GYZIBCBBCWZYOV-OAHLLOKOSA-N 1 1 308.853 3.496 20 10 DGCDMO Cc1csc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000126956132 526342424 /nfs/dbraw/zinc/34/24/24/526342424.db2.gz LQWXQZIPFDTJKS-HNNXBMFYSA-N 1 1 318.442 3.338 20 10 DGCDMO Cc1csc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000126956132 526342430 /nfs/dbraw/zinc/34/24/30/526342430.db2.gz LQWXQZIPFDTJKS-HNNXBMFYSA-N 1 1 318.442 3.338 20 10 DGCDMO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000180271219 526349466 /nfs/dbraw/zinc/34/94/66/526349466.db2.gz ZNMDLUJMBGSTGE-ZBFHGGJFSA-N 1 1 305.349 3.212 20 10 DGCDMO OCC[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CCc2ccccc21 ZINC000180152915 527550385 /nfs/dbraw/zinc/55/03/85/527550385.db2.gz YHSPSLBFKJFNOI-QGZVFWFLSA-N 1 1 301.361 3.013 20 10 DGCDMO CCOC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177366577 528939544 /nfs/dbraw/zinc/93/95/44/528939544.db2.gz AURBIDNSBAUCID-GFCCVEGCSA-N 1 1 311.809 3.107 20 10 DGCDMO CC[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(F)cc1O ZINC000286375716 535808952 /nfs/dbraw/zinc/80/89/52/535808952.db2.gz ALERGCVTZSYCRY-CABCVRRESA-N 1 1 303.381 3.383 20 10 DGCDMO CC[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(F)cc1O ZINC000286080784 535809057 /nfs/dbraw/zinc/80/90/57/535809057.db2.gz 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ZINC000852697415 620641644 /nfs/dbraw/zinc/64/16/44/620641644.db2.gz AHWKOKRAJDZMKH-UHFFFAOYSA-N 1 1 322.456 3.334 20 10 DGCDMO Cc1cc(C[N@H+]2CCc3nccnc3C2)ccc1N1CCCCC1 ZINC000852697415 620641646 /nfs/dbraw/zinc/64/16/46/620641646.db2.gz AHWKOKRAJDZMKH-UHFFFAOYSA-N 1 1 322.456 3.334 20 10 DGCDMO CCCCCNC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074124 620654919 /nfs/dbraw/zinc/65/49/19/620654919.db2.gz PXEVADIGVPBDAL-UHFFFAOYSA-N 1 1 317.477 3.023 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](CCN(C)C)C2CCCC2)c1 ZINC000154624586 620694180 /nfs/dbraw/zinc/69/41/80/620694180.db2.gz DCQCKDPQLGEPMU-UHFFFAOYSA-N 1 1 306.450 3.097 20 10 DGCDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc3c(cc1O)CCCC3)C2 ZINC000853543381 620708538 /nfs/dbraw/zinc/70/85/38/620708538.db2.gz WSUUAHJXHHRWTN-KDURUIRLSA-N 1 1 301.430 3.129 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2)c(O)c1OC ZINC000891602617 617848964 /nfs/dbraw/zinc/84/89/64/617848964.db2.gz RGRZIFQWLXCVNP-UHFFFAOYSA-N 1 1 323.339 3.320 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c(O)c1OC ZINC000891629107 617856544 /nfs/dbraw/zinc/85/65/44/617856544.db2.gz AODJQMJYLMLBAF-HNNXBMFYSA-N 1 1 313.397 3.399 20 10 DGCDMO CCC[N@H+](Cc1nc(Br)c[nH]1)Cc1ccccc1O ZINC000891853416 617912262 /nfs/dbraw/zinc/91/22/62/617912262.db2.gz LSNBSJBIDZCKFL-UHFFFAOYSA-N 1 1 324.222 3.290 20 10 DGCDMO CCC[N@@H+](Cc1nc(Br)c[nH]1)Cc1ccccc1O ZINC000891853416 617912266 /nfs/dbraw/zinc/91/22/66/617912266.db2.gz LSNBSJBIDZCKFL-UHFFFAOYSA-N 1 1 324.222 3.290 20 10 DGCDMO Cc1csc(N2CC[NH+](Cc3c(O)cccc3Cl)CC2)n1 ZINC000133864979 618032584 /nfs/dbraw/zinc/03/25/84/618032584.db2.gz LZYGFTZHYVFVAA-UHFFFAOYSA-N 1 1 323.849 3.133 20 10 DGCDMO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000850569861 618118967 /nfs/dbraw/zinc/11/89/67/618118967.db2.gz BMLCRZFQSZGFKO-YLJLNXRRSA-N 1 1 318.186 3.122 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(OC)c1 ZINC000155194078 620787659 /nfs/dbraw/zinc/78/76/59/620787659.db2.gz DITBHNLIHGXXLZ-UHFFFAOYSA-N 1 1 314.429 3.402 20 10 DGCDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c(O)c1OC ZINC000894449788 618334115 /nfs/dbraw/zinc/33/41/15/618334115.db2.gz QBOHGWJWAXBULV-OAHLLOKOSA-N 1 1 314.385 3.142 20 10 DGCDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c(O)c1OC ZINC000894544439 618377649 /nfs/dbraw/zinc/37/76/49/618377649.db2.gz NFXVVQHOPQTIOH-KRWDZBQOSA-N 1 1 303.402 3.174 20 10 DGCDMO Oc1c(Br)cccc1C[NH2+][C@H]1CCc2cccnc21 ZINC000894571594 618389269 /nfs/dbraw/zinc/38/92/69/618389269.db2.gz SUFKUNYXNSTMPS-ZDUSSCGKSA-N 1 1 319.202 3.327 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000840916299 618528894 /nfs/dbraw/zinc/52/88/94/618528894.db2.gz ITQQOBCRBXBJLX-IBGZPJMESA-N 1 1 302.462 3.454 20 10 DGCDMO C[C@H]([NH2+]C[C@]1(C(F)(F)F)CCCN1)c1cc(F)cc(F)c1O ZINC000925856042 618646864 /nfs/dbraw/zinc/64/68/64/618646864.db2.gz PUKKWDVVNCSFOR-SDBXPKJASA-N 1 1 324.293 3.006 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2cc(C)ccc2F)c(O)c1OC ZINC000894048246 618699394 /nfs/dbraw/zinc/69/93/94/618699394.db2.gz VGGKILKIPZXTSN-UHFFFAOYSA-N 1 1 319.376 3.489 20 10 DGCDMO COc1ccc(C[N@H+]2CCc3cccc(C)c3C2)c(O)c1OC ZINC000894037306 618699963 /nfs/dbraw/zinc/69/99/63/618699963.db2.gz ZNINOXBXEUOOLZ-UHFFFAOYSA-N 1 1 313.397 3.276 20 10 DGCDMO COc1ccc(C[NH2+]Cc2csc(C(F)(F)F)n2)c(O)c1 ZINC000894184744 618725689 /nfs/dbraw/zinc/72/56/89/618725689.db2.gz FKZNQWPQJRJHCH-UHFFFAOYSA-N 1 1 318.320 3.166 20 10 DGCDMO CC(C)(C)OC(=O)CCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790971663 618731764 /nfs/dbraw/zinc/73/17/64/618731764.db2.gz ULQRKKIYNZXSFE-UHFFFAOYSA-N 1 1 317.788 3.396 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1F ZINC000895585103 618802757 /nfs/dbraw/zinc/80/27/57/618802757.db2.gz WBOVQXABXVVTLR-CYBMUJFWSA-N 1 1 305.422 3.338 20 10 DGCDMO CSC(C)(C)CC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000895607711 618806383 /nfs/dbraw/zinc/80/63/83/618806383.db2.gz UOSGOVTUZBWUJL-UHFFFAOYSA-N 1 1 321.534 3.060 20 10 DGCDMO CC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1CCOCC1 ZINC000790970664 625725938 /nfs/dbraw/zinc/72/59/38/625725938.db2.gz MUNFTJJPALIFBB-ZDUSSCGKSA-N 1 1 301.789 3.480 20 10 DGCDMO CC1([NH+]2CCC2)CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000895672083 618816284 /nfs/dbraw/zinc/81/62/84/618816284.db2.gz WBKZVKXBNVUPRB-UHFFFAOYSA-N 1 1 312.816 3.245 20 10 DGCDMO CCc1cccc(C[N@H+]2CCc3cc(O)c(OC)cc3C2)c1O ZINC000895887257 618845581 /nfs/dbraw/zinc/84/55/81/618845581.db2.gz ISDCELUQGGKIKL-UHFFFAOYSA-N 1 1 313.397 3.227 20 10 DGCDMO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2c(O)cccc2F)c1 ZINC000896637366 618939942 /nfs/dbraw/zinc/93/99/42/618939942.db2.gz MSFWUWCXGPZKCN-CYBMUJFWSA-N 1 1 316.376 3.347 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H]1O ZINC000897679201 619172653 /nfs/dbraw/zinc/17/26/53/619172653.db2.gz IOGSWLONCUSLQQ-RDTXWAMCSA-N 1 1 316.470 3.197 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1O ZINC000898068907 619211944 /nfs/dbraw/zinc/21/19/44/619211944.db2.gz ROAPRILUZFILBN-ZDUSSCGKSA-N 1 1 318.442 3.230 20 10 DGCDMO C[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1c(O)cccc1F ZINC000926928359 619250168 /nfs/dbraw/zinc/25/01/68/619250168.db2.gz DMWGYBXJEKAQSZ-SNVBAGLBSA-N 1 1 306.406 3.370 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c(O)c1 ZINC000898516444 619283636 /nfs/dbraw/zinc/28/36/36/619283636.db2.gz SBCXOLVXPKBTKP-NVXWUHKLSA-N 1 1 319.445 3.430 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c(O)c1 ZINC000898516446 619283699 /nfs/dbraw/zinc/28/36/99/619283699.db2.gz SBCXOLVXPKBTKP-WBVHZDCISA-N 1 1 319.445 3.430 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(Cl)c(Cl)c1[O-] ZINC000902470393 619642224 /nfs/dbraw/zinc/64/22/24/619642224.db2.gz WMMMXWPBOXYUQX-IWXIMVSXSA-N 1 1 301.217 3.243 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c(O)cc1C ZINC000902650359 619661313 /nfs/dbraw/zinc/66/13/13/619661313.db2.gz ZXQJBEUZBPORDI-CYBMUJFWSA-N 1 1 318.442 3.230 20 10 DGCDMO CCN(C)c1ccc([C@H](C)NCc2cc(N(C)C)cc[nH+]2)cc1 ZINC000903201896 619735765 /nfs/dbraw/zinc/73/57/65/619735765.db2.gz QOFYAMOBDHDTDZ-HNNXBMFYSA-N 1 1 312.461 3.455 20 10 DGCDMO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(Br)cn2)c1 ZINC000903320848 619755614 /nfs/dbraw/zinc/75/56/14/619755614.db2.gz RZFFPLKMJBHYND-SNVBAGLBSA-N 1 1 322.206 3.104 20 10 DGCDMO COc1cc(Cl)cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841086224 620217319 /nfs/dbraw/zinc/21/73/19/620217319.db2.gz GCUMAVLJSYCPOA-SWLSCSKDSA-N 1 1 324.852 3.018 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000841090040 620256171 /nfs/dbraw/zinc/25/61/71/620256171.db2.gz UAEUWFHGTYEMDK-QGZVFWFLSA-N 1 1 301.478 3.297 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccco1 ZINC000840763883 620883310 /nfs/dbraw/zinc/88/33/10/620883310.db2.gz ZUMXVMGYDANNTM-LBPRGKRZSA-N 1 1 322.355 3.245 20 10 DGCDMO CN(C)c1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1F ZINC000113314604 620900392 /nfs/dbraw/zinc/90/03/92/620900392.db2.gz AWOIOXPKXYJTQD-UHFFFAOYSA-N 1 1 307.457 3.291 20 10 DGCDMO Fc1cnc(Cl)c(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000922151481 620996157 /nfs/dbraw/zinc/99/61/57/620996157.db2.gz LKJJUHPOQQIOSI-UHFFFAOYSA-N 1 1 306.768 3.489 20 10 DGCDMO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1cccc(C)c1O ZINC000857068624 621054284 /nfs/dbraw/zinc/05/42/84/621054284.db2.gz CCBIBQJVOARKCH-UHFFFAOYSA-N 1 1 300.402 3.353 20 10 DGCDMO CCC[C@H](O)CC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000922820945 621105063 /nfs/dbraw/zinc/10/50/63/621105063.db2.gz MTEQDXSMOFIBEL-LBPRGKRZSA-N 1 1 316.239 3.104 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000857874302 621126435 /nfs/dbraw/zinc/12/64/35/621126435.db2.gz OECSNBHJEDJCEJ-AUUYWEPGSA-N 1 1 323.440 3.117 20 10 DGCDMO C[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000857874309 621126722 /nfs/dbraw/zinc/12/67/22/621126722.db2.gz OECSNBHJEDJCEJ-LIRRHRJNSA-N 1 1 323.440 3.117 20 10 DGCDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(C)c(C)cc3O)C2)nc1 ZINC000858013301 621145642 /nfs/dbraw/zinc/14/56/42/621145642.db2.gz REDBXYDLQQGIRB-QGZVFWFLSA-N 1 1 312.413 3.366 20 10 DGCDMO COc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1F ZINC000858092020 621151516 /nfs/dbraw/zinc/15/15/16/621151516.db2.gz LVLVVQQCHRKIAM-UHFFFAOYSA-N 1 1 324.346 3.468 20 10 DGCDMO CCn1cc([C@@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)cn1 ZINC000858173920 621161583 /nfs/dbraw/zinc/16/15/83/621161583.db2.gz JKUBQMHOKWNGAW-LLVKDONJSA-N 1 1 308.376 3.098 20 10 DGCDMO CCn1ncc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000858443922 621191634 /nfs/dbraw/zinc/19/16/34/621191634.db2.gz QCUCWKOPPRWMFO-HNNXBMFYSA-N 1 1 313.449 3.139 20 10 DGCDMO C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1O ZINC000858449463 621192589 /nfs/dbraw/zinc/19/25/89/621192589.db2.gz MAJBGEIVWIKEMN-ZANVPECISA-N 1 1 317.286 3.182 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)c(C)n2)c1 ZINC000840784004 621199013 /nfs/dbraw/zinc/19/90/13/621199013.db2.gz OLFZFCFIYHWRMH-ZDUSSCGKSA-N 1 1 314.385 3.041 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCOC2CCOCC2)cc1 ZINC000859060679 621243518 /nfs/dbraw/zinc/24/35/18/621243518.db2.gz VWHSQFHQACWSSN-UHFFFAOYSA-N 1 1 320.477 3.160 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](CCn2cc(Cl)cn2)C2CC2)cc1 ZINC000838794003 621276738 /nfs/dbraw/zinc/27/67/38/621276738.db2.gz QNJYICXXJVASIK-UHFFFAOYSA-N 1 1 318.852 3.267 20 10 DGCDMO COc1ccc(N2CC[NH+](C[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000838900924 621301479 /nfs/dbraw/zinc/30/14/79/621301479.db2.gz QTRDVLCVKFTQET-LBPRGKRZSA-N 1 1 315.244 3.011 20 10 DGCDMO Cc1ncc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)o1 ZINC000839170620 621342033 /nfs/dbraw/zinc/34/20/33/621342033.db2.gz PSYPMJDINFISCJ-UHFFFAOYSA-N 1 1 313.323 3.358 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1O ZINC000839193413 621347886 /nfs/dbraw/zinc/34/78/86/621347886.db2.gz UNFJPMNKYZBTIC-DLBZAZTESA-N 1 1 319.445 3.164 20 10 DGCDMO COc1ccnc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1OC ZINC000789385702 625482227 /nfs/dbraw/zinc/48/22/27/625482227.db2.gz DYYHUESWYXVMAD-CYBMUJFWSA-N 1 1 315.417 3.016 20 10 DGCDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000860189865 621379129 /nfs/dbraw/zinc/37/91/29/621379129.db2.gz MOFXPKJUPSSTBM-SCAQPMJSSA-N 1 1 318.461 3.223 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CC=CCC1 ZINC000753577373 621450602 /nfs/dbraw/zinc/45/06/02/621450602.db2.gz UDELOGYVTMPRAF-INIZCTEOSA-N 1 1 318.436 3.450 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000754727805 621528485 /nfs/dbraw/zinc/52/84/85/621528485.db2.gz QKNJHAWSHFBOCE-IBGZPJMESA-N 1 1 310.441 3.498 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)c1O ZINC000754739756 621530117 /nfs/dbraw/zinc/53/01/17/621530117.db2.gz OBYUSXPSDKLDCI-MRXNPFEDSA-N 1 1 315.417 3.088 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC3(CCOCC3)C2)c1O ZINC000754742721 621530259 /nfs/dbraw/zinc/53/02/59/621530259.db2.gz YALWEIMUZAJUIK-UHFFFAOYSA-N 1 1 305.418 3.102 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+](C)Cc2ccccc2O)cc1F ZINC000862227447 621563683 /nfs/dbraw/zinc/56/36/83/621563683.db2.gz 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/nfs/dbraw/zinc/63/01/47/621630147.db2.gz TYYXZCAGDJMADZ-JQWIXIFHSA-N 1 1 321.323 3.161 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2ccccc2F)c1 ZINC000756356391 621630605 /nfs/dbraw/zinc/63/06/05/621630605.db2.gz BERUJUSQDMEBNN-GFCCVEGCSA-N 1 1 317.360 3.211 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CCc2ccco2)c1 ZINC000756357803 621631129 /nfs/dbraw/zinc/63/11/29/621631129.db2.gz PSFBNMXPKQVUFJ-QWHCGFSZSA-N 1 1 317.385 3.444 20 10 DGCDMO C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1cc(F)cc(F)c1O ZINC000756494842 621642137 /nfs/dbraw/zinc/64/21/37/621642137.db2.gz OLZTTZMUSCQSBH-GWCFXTLKSA-N 1 1 305.324 3.325 20 10 DGCDMO COc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1O ZINC000756523246 621644956 /nfs/dbraw/zinc/64/49/56/621644956.db2.gz BFYXUBLFGULZKD-VIFPVBQESA-N 1 1 309.312 3.235 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2Cc3ccccc32)c1 ZINC000756535848 621646016 /nfs/dbraw/zinc/64/60/16/621646016.db2.gz RUDPWPCKIPNHIK-WFASDCNBSA-N 1 1 311.381 3.169 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2c(C)noc2C)c1 ZINC000756576267 621650892 /nfs/dbraw/zinc/65/08/92/621650892.db2.gz ZBFCJGRSNYNDEM-UWVGGRQHSA-N 1 1 318.373 3.195 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c1 ZINC000756601835 621652211 /nfs/dbraw/zinc/65/22/11/621652211.db2.gz BKEBAQVEWHUBEJ-ACJLOTCBSA-N 1 1 323.433 3.017 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2sc(C)nc2C)c1 ZINC000756615061 621652852 /nfs/dbraw/zinc/65/28/52/621652852.db2.gz VKWBRPJRQVMNNT-SECBINFHSA-N 1 1 320.414 3.103 20 10 DGCDMO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000756637809 621654710 /nfs/dbraw/zinc/65/47/10/621654710.db2.gz PJSSTSIKPQTGRW-CJNGLKHVSA-N 1 1 303.377 3.440 20 10 DGCDMO C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(F)cc1O ZINC000756660324 621657102 /nfs/dbraw/zinc/65/71/02/621657102.db2.gz VRVMJQIUZMMKKR-SECBINFHSA-N 1 1 317.286 3.141 20 10 DGCDMO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(F)cc(F)c1O ZINC000756711867 621659772 /nfs/dbraw/zinc/65/97/72/621659772.db2.gz MUBOJBPTUODVBV-VFZGTOFNSA-N 1 1 311.303 3.194 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(C3CC3)CCC2)c1 ZINC000756767940 621663573 /nfs/dbraw/zinc/66/35/73/621663573.db2.gz HGAORPGAMNUUPY-LBPRGKRZSA-N 1 1 303.402 3.410 20 10 DGCDMO CCCCN(Cc1ccccc1O)C(=O)C[N@@H+](C)C1CCC1 ZINC000863912541 621718155 /nfs/dbraw/zinc/71/81/55/621718155.db2.gz IVUPSRXUHJUGQE-UHFFFAOYSA-N 1 1 304.434 3.005 20 10 DGCDMO COc1cccc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c1O ZINC000758062559 621756165 /nfs/dbraw/zinc/75/61/65/621756165.db2.gz KTEYCFWGGSGZKW-QGZVFWFLSA-N 1 1 305.418 3.182 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)c1O ZINC000758288846 621773359 /nfs/dbraw/zinc/77/33/59/621773359.db2.gz GDESETPCOCBVFN-SFHVURJKSA-N 1 1 319.445 3.490 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCOCC3(CCC3)C1)CCCC2 ZINC000758974375 621815728 /nfs/dbraw/zinc/81/57/28/621815728.db2.gz PZVQLAQXIJOUJI-UHFFFAOYSA-N 1 1 301.430 3.274 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C[C@H]1n1ccnc1 ZINC000759156662 621830000 /nfs/dbraw/zinc/83/00/00/621830000.db2.gz HJDKUIGLUGDTQF-RDTXWAMCSA-N 1 1 322.412 3.220 20 10 DGCDMO COc1ccc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cc1C ZINC000760469954 621942930 /nfs/dbraw/zinc/94/29/30/621942930.db2.gz JJDWBBBBGUCKRB-OAHLLOKOSA-N 1 1 322.412 3.435 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+]2CCc3ccc(O)cc3C2)c1O ZINC000761191814 621992875 /nfs/dbraw/zinc/99/28/75/621992875.db2.gz BVYCCCMGYFFZRJ-UHFFFAOYSA-N 1 1 319.788 3.318 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCc3ccc(O)cc3C2)c1O ZINC000761191814 621992877 /nfs/dbraw/zinc/99/28/77/621992877.db2.gz BVYCCCMGYFFZRJ-UHFFFAOYSA-N 1 1 319.788 3.318 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2cccc(C)n2)c1O ZINC000761200927 621993868 /nfs/dbraw/zinc/99/38/68/621993868.db2.gz AOEGYWKRBDCJOQ-UHFFFAOYSA-N 1 1 306.793 3.390 20 10 DGCDMO CC(C)[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)[C@H](O)C(F)(F)F ZINC000866464851 622122746 /nfs/dbraw/zinc/12/27/46/622122746.db2.gz ZBVFMLBUIAJSAX-JCOFBHIZSA-N 1 1 309.303 3.130 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1ccc(F)cc1O ZINC000866563005 622138893 /nfs/dbraw/zinc/13/88/93/622138893.db2.gz IMNVLWLHCNVZJX-SJCJKPOMSA-N 1 1 300.377 3.369 20 10 DGCDMO C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000763613052 622155262 /nfs/dbraw/zinc/15/52/62/622155262.db2.gz JNHMNWZASQGVPY-ZDUSSCGKSA-N 1 1 300.805 3.101 20 10 DGCDMO C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000763613052 622155265 /nfs/dbraw/zinc/15/52/65/622155265.db2.gz JNHMNWZASQGVPY-ZDUSSCGKSA-N 1 1 300.805 3.101 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763671149 622157588 /nfs/dbraw/zinc/15/75/88/622157588.db2.gz JDSAJIHYSSFKTR-QGZVFWFLSA-N 1 1 316.445 3.059 20 10 DGCDMO CCC(CC)C[N@@H+](CC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000764193470 622183572 /nfs/dbraw/zinc/18/35/72/622183572.db2.gz UJFDDTJHDQUDSQ-UHFFFAOYSA-N 1 1 319.493 3.127 20 10 DGCDMO CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@@H+](C)[C@H]1CC 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CCC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768437838 622455749 /nfs/dbraw/zinc/45/57/49/622455749.db2.gz KFVWITPBUYYFHF-GOSISDBHSA-N 1 1 313.397 3.230 20 10 DGCDMO CC(C)[N@@H+](Cc1cccs1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768442583 622456196 /nfs/dbraw/zinc/45/61/96/622456196.db2.gz MBKHAUQWXQQPIZ-MRXNPFEDSA-N 1 1 319.426 3.290 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+](CC1CCCCC1)C1CC1)[C@H](O)CO2 ZINC000768446500 622456625 /nfs/dbraw/zinc/45/66/25/622456625.db2.gz YKIPGWXSZJDMPW-GOSISDBHSA-N 1 1 317.429 3.363 20 10 DGCDMO CCC[N@H+](Cc1cc(OC)c(C)cc1O)C[C@H]1CCCCO1 ZINC000768452712 622457488 /nfs/dbraw/zinc/45/74/88/622457488.db2.gz RKPHMEBXBQTBTA-MRXNPFEDSA-N 1 1 307.434 3.490 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c1 ZINC000768459968 622457555 /nfs/dbraw/zinc/45/75/55/622457555.db2.gz IZIBTHSGMRYNSJ-UHFFFAOYSA-N 1 1 322.449 3.308 20 10 DGCDMO CC(C)C[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768463624 622457939 /nfs/dbraw/zinc/45/79/39/622457939.db2.gz KNAQKBBHTFTBLD-YOEHRIQHSA-N 1 1 305.418 3.219 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769103786 622498451 /nfs/dbraw/zinc/49/84/51/622498451.db2.gz SYWKBABLUTZWBP-AWEZNQCLSA-N 1 1 303.406 3.427 20 10 DGCDMO COc1ccc([C@@H]2CC[N@@H+](Cc3c(O)cccc3OC)C2)cc1 ZINC000769246270 622510447 /nfs/dbraw/zinc/51/04/47/622510447.db2.gz ZBNAAKMOZWNBQD-OAHLLOKOSA-N 1 1 313.397 3.399 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000769316365 622516734 /nfs/dbraw/zinc/51/67/34/622516734.db2.gz OETGOCNKTVTGHP-IBGZPJMESA-N 1 1 313.397 3.364 20 10 DGCDMO COC(=O)C1([N@@H+](C)Cc2ccc(N(C)C)cc2)CCCCC1 ZINC000769401500 622524783 /nfs/dbraw/zinc/52/47/83/622524783.db2.gz KEJOPLKCTIFDHY-UHFFFAOYSA-N 1 1 304.434 3.060 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC000769404048 622524971 /nfs/dbraw/zinc/52/49/71/622524971.db2.gz IECJKGCXROFWAK-UHFFFAOYSA-N 1 1 301.361 3.488 20 10 DGCDMO C[C@H]1SCC[N@@H+](Cc2cc(Br)ccc2O)[C@H]1C ZINC000769447020 622528833 /nfs/dbraw/zinc/52/88/33/622528833.db2.gz RLYCYXKKQUFTJO-VHSXEESVSA-N 1 1 316.264 3.481 20 10 DGCDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769469631 622530673 /nfs/dbraw/zinc/53/06/73/622530673.db2.gz BWQKSDHFBSWOHL-GDBMZVCRSA-N 1 1 307.457 3.196 20 10 DGCDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769469631 622530682 /nfs/dbraw/zinc/53/06/82/622530682.db2.gz BWQKSDHFBSWOHL-GDBMZVCRSA-N 1 1 307.457 3.196 20 10 DGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769469631 622530686 /nfs/dbraw/zinc/53/06/86/622530686.db2.gz BWQKSDHFBSWOHL-GDBMZVCRSA-N 1 1 307.457 3.196 20 10 DGCDMO CCOc1cccc(C[N@H+](C)[C@H]2C[C@@H](OCC)C2(C)C)c1O ZINC000769472912 622531517 /nfs/dbraw/zinc/53/15/17/622531517.db2.gz KRVJSMPDFOSTOR-JKSUJKDBSA-N 1 1 307.434 3.426 20 10 DGCDMO CCOc1ccc(C[N@H+](C)[C@@H]2C[C@H](OCC)C2(C)C)c(O)c1 ZINC000769474889 622531547 /nfs/dbraw/zinc/53/15/47/622531547.db2.gz SWQZKCDJXDMQJC-SJORKVTESA-N 1 1 307.434 3.426 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2C[C@@H](OCC)C2(C)C)c1 ZINC000769472941 622531588 /nfs/dbraw/zinc/53/15/88/622531588.db2.gz LGXBWMNMTFAVAM-IAGOWNOFSA-N 1 1 307.434 3.426 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000769478028 622531883 /nfs/dbraw/zinc/53/18/83/622531883.db2.gz CVXSVBVCKLJPQW-SJORKVTESA-N 1 1 319.468 3.340 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)CCC(=O)OC(C)(C)C)cc1F ZINC000769497233 622534044 /nfs/dbraw/zinc/53/40/44/622534044.db2.gz AFKXDADYRCWLCL-UHFFFAOYSA-N 1 1 310.413 3.055 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@](C)(C(=O)OC)C2)cc1F ZINC000769525313 622537793 /nfs/dbraw/zinc/53/77/93/622537793.db2.gz HIRCIJPQWHVHPH-SFHVURJKSA-N 1 1 322.424 3.057 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](COC(C)C)C2)cc1C(C)C ZINC000769805225 622562930 /nfs/dbraw/zinc/56/29/30/622562930.db2.gz WXIIDJAGSJIDHV-QGZVFWFLSA-N 1 1 321.461 3.450 20 10 DGCDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1O ZINC000770504551 622640224 /nfs/dbraw/zinc/64/02/24/622640224.db2.gz IZLISEHPMQFEJR-ZIAGYGMSSA-N 1 1 320.433 3.127 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000770511054 622641365 /nfs/dbraw/zinc/64/13/65/622641365.db2.gz XMKOZUGUWNQNST-UHFFFAOYSA-N 1 1 324.424 3.129 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)CCOc2ccccc2)c(O)c1 ZINC000771932028 622818073 /nfs/dbraw/zinc/81/80/73/622818073.db2.gz SVVWDNCLMIVNDE-UHFFFAOYSA-N 1 1 301.386 3.302 20 10 DGCDMO C[C@@H](Nc1nc(N2CCCC2)cc[nH+]1)c1ccc(N(C)C)cc1 ZINC000772299676 622881720 /nfs/dbraw/zinc/88/17/20/622881720.db2.gz FMDMRLQGPYXFGG-CQSZACIVSA-N 1 1 311.433 3.316 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](C3CCC3)CC1)[C@H](O)CO2 ZINC000872701364 622956040 /nfs/dbraw/zinc/95/60/40/622956040.db2.gz WBJHNASPRZKZRX-KBXCAEBGSA-N 1 1 317.429 3.220 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000872813294 622984088 /nfs/dbraw/zinc/98/40/88/622984088.db2.gz JHCCCNSSOLXVPQ-ZDUSSCGKSA-N 1 1 303.324 3.162 20 10 DGCDMO CCCOc1ccc(C[NH2+][C@@H](c2nncn2C)C(C)C)cc1C ZINC000873126605 623042431 /nfs/dbraw/zinc/04/24/31/623042431.db2.gz UZUPFVVGWDRWAM-QGZVFWFLSA-N 1 1 316.449 3.399 20 10 DGCDMO CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1C ZINC000873135531 623045765 /nfs/dbraw/zinc/04/57/65/623045765.db2.gz YKJBRCQSFHVJQH-DZGCQCFKSA-N 1 1 300.406 3.171 20 10 DGCDMO COc1cccc(O)c1C[NH2+]Cc1noc2c1CC(C)(C)CC2 ZINC000873175766 623062538 /nfs/dbraw/zinc/06/25/38/623062538.db2.gz QBWLUSTULGBUTG-UHFFFAOYSA-N 1 1 316.401 3.194 20 10 DGCDMO CCN(C)c1ccc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000773755992 623068956 /nfs/dbraw/zinc/06/89/56/623068956.db2.gz SLIJERVIJGXVPV-IBGZPJMESA-N 1 1 315.505 3.306 20 10 DGCDMO CCN(C)c1ccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000773755992 623068958 /nfs/dbraw/zinc/06/89/58/623068958.db2.gz SLIJERVIJGXVPV-IBGZPJMESA-N 1 1 315.505 3.306 20 10 DGCDMO Nc1cnc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)cn1 ZINC000873208766 623076158 /nfs/dbraw/zinc/07/61/58/623076158.db2.gz GMXKSLFKRVVKJS-UHFFFAOYSA-N 1 1 312.417 3.099 20 10 DGCDMO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873230021 623082973 /nfs/dbraw/zinc/08/29/73/623082973.db2.gz KYCIINJMOQGRQS-TZMCWYRMSA-N 1 1 301.217 3.073 20 10 DGCDMO [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232171 623085288 /nfs/dbraw/zinc/08/52/88/623085288.db2.gz AYWJZTZZWRIQQR-MRXNPFEDSA-N 1 1 308.853 3.448 20 10 DGCDMO C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2c1c(F)ccc2[O-] ZINC000873263693 623096829 /nfs/dbraw/zinc/09/68/29/623096829.db2.gz KBPUHFMBMOKQLK-DKBOKBLXSA-N 1 1 304.409 3.200 20 10 DGCDMO CO[C@]1(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CCOC1 ZINC000774359428 623136221 /nfs/dbraw/zinc/13/62/21/623136221.db2.gz PLQGXMBIXLBHHL-OTYXRUKQSA-N 1 1 320.216 3.155 20 10 DGCDMO COc1cc(C[N@H+]2CCOCC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000774660568 623172703 /nfs/dbraw/zinc/17/27/03/623172703.db2.gz ORHDPNRFZNQFJO-CYBMUJFWSA-N 1 1 307.434 3.309 20 10 DGCDMO COc1c([O-])c(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774836647 623197163 /nfs/dbraw/zinc/19/71/63/623197163.db2.gz UDDUOTWLWUGDRA-YPMHNXCESA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774836647 623197166 /nfs/dbraw/zinc/19/71/66/623197166.db2.gz UDDUOTWLWUGDRA-YPMHNXCESA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774836647 623197169 /nfs/dbraw/zinc/19/71/69/623197169.db2.gz UDDUOTWLWUGDRA-YPMHNXCESA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000774888672 623205773 /nfs/dbraw/zinc/20/57/73/623205773.db2.gz RTOBALZHAQPIEK-YRGRVCCFSA-N 1 1 320.389 3.462 20 10 DGCDMO COc1c(O)c(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000774888672 623205775 /nfs/dbraw/zinc/20/57/75/623205775.db2.gz RTOBALZHAQPIEK-YRGRVCCFSA-N 1 1 320.389 3.462 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC=C(C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774912436 623208188 /nfs/dbraw/zinc/20/81/88/623208188.db2.gz BLJJNUXKBQIORU-UHFFFAOYSA-N 1 1 320.389 3.487 20 10 DGCDMO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774964003 623212089 /nfs/dbraw/zinc/21/20/89/623212089.db2.gz MOWITFDTXHGWTB-YPMHNXCESA-N 1 1 308.378 3.367 20 10 DGCDMO COc1c(O)c(C[NH2+][C@H](C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000774976604 623212830 /nfs/dbraw/zinc/21/28/30/623212830.db2.gz HWIFPKDBUUYJNJ-SNVBAGLBSA-N 1 1 322.386 3.091 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000775014831 623216671 /nfs/dbraw/zinc/21/66/71/623216671.db2.gz QHWLAWUHTXYGAH-YRGRVCCFSA-N 1 1 320.389 3.367 20 10 DGCDMO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000775023795 623217653 /nfs/dbraw/zinc/21/76/53/623217653.db2.gz MDIXZIKHQBMSCJ-WCQYABFASA-N 1 1 308.378 3.367 20 10 DGCDMO COc1c(O)c(C[N@H+](C)C[C@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000775061107 623223696 /nfs/dbraw/zinc/22/36/96/623223696.db2.gz SATCUMCWIQNKEO-LBPRGKRZSA-N 1 1 306.362 3.097 20 10 DGCDMO COc1c(O)c(C[N@@H+](C)C[C@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000775061107 623223698 /nfs/dbraw/zinc/22/36/98/623223698.db2.gz SATCUMCWIQNKEO-LBPRGKRZSA-N 1 1 306.362 3.097 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000775111277 623232327 /nfs/dbraw/zinc/23/23/27/623232327.db2.gz OAJYHSDIPFSPFN-GRYCIOLGSA-N 1 1 308.378 3.175 20 10 DGCDMO COc1c(O)c(C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000775111277 623232330 /nfs/dbraw/zinc/23/23/30/623232330.db2.gz OAJYHSDIPFSPFN-GRYCIOLGSA-N 1 1 308.378 3.175 20 10 DGCDMO COc1c(O)c(C[N@H+](CC2CCC2)C(C)C)ccc1[N+](=O)[O-] ZINC000775178540 623238352 /nfs/dbraw/zinc/23/83/52/623238352.db2.gz UZUZRUBHROQMHO-UHFFFAOYSA-N 1 1 308.378 3.320 20 10 DGCDMO COc1c(O)c(C[N@@H+](CC2CCC2)C(C)C)ccc1[N+](=O)[O-] ZINC000775178540 623238355 /nfs/dbraw/zinc/23/83/55/623238355.db2.gz UZUZRUBHROQMHO-UHFFFAOYSA-N 1 1 308.378 3.320 20 10 DGCDMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1cccc(C)c1O ZINC000775186031 623239176 /nfs/dbraw/zinc/23/91/76/623239176.db2.gz ZIALXWDARBZLNQ-SFHVURJKSA-N 1 1 305.418 3.398 20 10 DGCDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1cc(C)ccc1O ZINC000775184922 623239323 /nfs/dbraw/zinc/23/93/23/623239323.db2.gz UBCGCVVOKBSHEZ-GOSISDBHSA-N 1 1 305.418 3.398 20 10 DGCDMO CSCCCCC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775363216 623260342 /nfs/dbraw/zinc/26/03/42/623260342.db2.gz XSQBNECTJXVJHN-UHFFFAOYSA-N 1 1 321.534 3.061 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2cccc(C)c2O)cc1OC ZINC000775642104 623301363 /nfs/dbraw/zinc/30/13/63/623301363.db2.gz GFWNTLVGZDDUON-UHFFFAOYSA-N 1 1 301.386 3.350 20 10 DGCDMO Cc1ccccc1C[NH+]1CCN(Cc2cccc(C)c2O)CC1 ZINC000775646847 623303618 /nfs/dbraw/zinc/30/36/18/623303618.db2.gz PAIMPSZRKBAJGZ-UHFFFAOYSA-N 1 1 310.441 3.327 20 10 DGCDMO C[C@@H]([N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1)C(C)(C)C ZINC000775654010 623304412 /nfs/dbraw/zinc/30/44/12/623304412.db2.gz RCRYVPFCDVDBKG-MRXNPFEDSA-N 1 1 303.494 3.305 20 10 DGCDMO C[C@@H]([N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1)C(C)(C)C ZINC000775654010 623304414 /nfs/dbraw/zinc/30/44/14/623304414.db2.gz RCRYVPFCDVDBKG-MRXNPFEDSA-N 1 1 303.494 3.305 20 10 DGCDMO C[C@H]([N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1)C(C)(C)C ZINC000775654009 623305365 /nfs/dbraw/zinc/30/53/65/623305365.db2.gz RCRYVPFCDVDBKG-INIZCTEOSA-N 1 1 303.494 3.305 20 10 DGCDMO C[C@H]([N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1)C(C)(C)C ZINC000775654009 623305369 /nfs/dbraw/zinc/30/53/69/623305369.db2.gz RCRYVPFCDVDBKG-INIZCTEOSA-N 1 1 303.494 3.305 20 10 DGCDMO CC[N@@H+]1C[C@@H](C)N(Cc2cc(Cl)cc(F)c2O)C[C@@H]1C ZINC000775711989 623317230 /nfs/dbraw/zinc/31/72/30/623317230.db2.gz LQQBZMCJWZGNBZ-WDEREUQCSA-N 1 1 300.805 3.099 20 10 DGCDMO CC[N@H+]1C[C@@H](C)N(Cc2cc(Cl)cc(F)c2O)C[C@@H]1C ZINC000775711989 623317235 /nfs/dbraw/zinc/31/72/35/623317235.db2.gz LQQBZMCJWZGNBZ-WDEREUQCSA-N 1 1 300.805 3.099 20 10 DGCDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(F)c2[O-])[C@H](C)C1 ZINC000775717911 623318053 /nfs/dbraw/zinc/31/80/53/623318053.db2.gz VFJASADHGZFLGW-ABAIWWIYSA-N 1 1 314.832 3.347 20 10 DGCDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(F)c2[O-])[C@H](C)C1 ZINC000775717911 623318056 /nfs/dbraw/zinc/31/80/56/623318056.db2.gz VFJASADHGZFLGW-ABAIWWIYSA-N 1 1 314.832 3.347 20 10 DGCDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])[C@H](C)C1 ZINC000775717911 623318059 /nfs/dbraw/zinc/31/80/59/623318059.db2.gz VFJASADHGZFLGW-ABAIWWIYSA-N 1 1 314.832 3.347 20 10 DGCDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000775716686 623318344 /nfs/dbraw/zinc/31/83/44/623318344.db2.gz ZTODSCGMCCKIFV-RISCZKNCSA-N 1 1 314.832 3.489 20 10 DGCDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000775716686 623318346 /nfs/dbraw/zinc/31/83/46/623318346.db2.gz ZTODSCGMCCKIFV-RISCZKNCSA-N 1 1 314.832 3.489 20 10 DGCDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000775716686 623318352 /nfs/dbraw/zinc/31/83/52/623318352.db2.gz ZTODSCGMCCKIFV-RISCZKNCSA-N 1 1 314.832 3.489 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCOCC3(CCCC3)C2)c1O ZINC000775850270 623341428 /nfs/dbraw/zinc/34/14/28/623341428.db2.gz VIOZRZGATHHQEL-UHFFFAOYSA-N 1 1 321.392 3.127 20 10 DGCDMO Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000775905164 623348615 /nfs/dbraw/zinc/34/86/15/623348615.db2.gz HXDZERJLUNULSZ-SNVBAGLBSA-N 1 1 311.788 3.116 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1C ZINC000776765976 623460755 /nfs/dbraw/zinc/46/07/55/623460755.db2.gz MXURVRPTKTXAMD-LJQANCHMSA-N 1 1 315.388 3.242 20 10 DGCDMO Cc1c(C[N@H+](C)Cc2cc(C(C)C)c(C)cc2O)cnn1C ZINC000790418741 625651030 /nfs/dbraw/zinc/65/10/30/625651030.db2.gz YDICALJLWRNYDY-UHFFFAOYSA-N 1 1 301.434 3.498 20 10 DGCDMO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)Cc1c(C)cccc1O ZINC000876532123 623635738 /nfs/dbraw/zinc/63/57/38/623635738.db2.gz YESPUQZAAVLLAR-UHFFFAOYSA-N 1 1 323.396 3.372 20 10 DGCDMO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)Cc1c(C)cccc1O ZINC000876532123 623635740 /nfs/dbraw/zinc/63/57/40/623635740.db2.gz YESPUQZAAVLLAR-UHFFFAOYSA-N 1 1 323.396 3.372 20 10 DGCDMO C[N@@H+](Cc1cccs1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876534191 623636212 /nfs/dbraw/zinc/63/62/12/623636212.db2.gz PHJJMILTTKUQGJ-UHFFFAOYSA-N 1 1 316.470 3.341 20 10 DGCDMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000876652316 623670353 /nfs/dbraw/zinc/67/03/53/623670353.db2.gz ARNRBHGBRPSUFL-AWEZNQCLSA-N 1 1 320.433 3.047 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000876682982 623681505 /nfs/dbraw/zinc/68/15/05/623681505.db2.gz QBTIYUAPWLBPAF-SFHVURJKSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1ccc(C[N@@H+](C)CCCNC(=O)OC(C)(C)C)c(O)c1 ZINC000876753544 623697828 /nfs/dbraw/zinc/69/78/28/623697828.db2.gz HDDAHOJAGDNCCC-UHFFFAOYSA-N 1 1 308.422 3.047 20 10 DGCDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876782624 623705267 /nfs/dbraw/zinc/70/52/67/623705267.db2.gz RABPJNMYGZGPPK-IBGZPJMESA-N 1 1 302.462 3.270 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)[C@@H](C)CN1Cc1ccccc1 ZINC000779020830 623722027 /nfs/dbraw/zinc/72/20/27/623722027.db2.gz TZOSVQYUXDSHTM-SJORKVTESA-N 1 1 310.441 3.487 20 10 DGCDMO C[C@@H]1CN(Cc2ccccc2O)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000779020830 623722031 /nfs/dbraw/zinc/72/20/31/623722031.db2.gz TZOSVQYUXDSHTM-SJORKVTESA-N 1 1 310.441 3.487 20 10 DGCDMO C[C@@H]1CN(Cc2ccccc2O)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000779020830 623722036 /nfs/dbraw/zinc/72/20/36/623722036.db2.gz TZOSVQYUXDSHTM-SJORKVTESA-N 1 1 310.441 3.487 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000779019321 623722097 /nfs/dbraw/zinc/72/20/97/623722097.db2.gz SHOXWYMMJGRBBF-OKILXGFUSA-N 1 1 320.433 3.222 20 10 DGCDMO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1ccccc1O ZINC000779034578 623723759 /nfs/dbraw/zinc/72/37/59/623723759.db2.gz YOGUSDQNJYHDSE-IAGOWNOFSA-N 1 1 317.429 3.336 20 10 DGCDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531447 623927779 /nfs/dbraw/zinc/92/77/79/623927779.db2.gz MXCZQNMJGQPGOF-RDJZCZTQSA-N 1 1 302.462 3.411 20 10 DGCDMO Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(O)c1 ZINC000877567322 623945097 /nfs/dbraw/zinc/94/50/97/623945097.db2.gz JGAPWKJDFIZVJR-SJORKVTESA-N 1 1 301.430 3.482 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CC[C@@H](C4CCC4)C3)cc2)CC1 ZINC000877592576 623954393 /nfs/dbraw/zinc/95/43/93/623954393.db2.gz IKQBDNMTRFUXSX-GOSISDBHSA-N 1 1 314.473 3.270 20 10 DGCDMO CSC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000877663402 623983398 /nfs/dbraw/zinc/98/33/98/623983398.db2.gz QJLUBGKRUPWXKX-UHFFFAOYSA-N 1 1 316.264 3.482 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@H](O)C[C@H]2c2ccccc2)c1O ZINC000877672382 623985927 /nfs/dbraw/zinc/98/59/27/623985927.db2.gz DBUJPXMLHMEFID-IRXDYDNUSA-N 1 1 313.397 3.099 20 10 DGCDMO CC(C)(C)OC(=O)NCC1(C[N@H+]2Cc3cccc(O)c3C2)CC1 ZINC000877702544 623997351 /nfs/dbraw/zinc/99/73/51/623997351.db2.gz AQALCSJYJYCEQS-UHFFFAOYSA-N 1 1 318.417 3.013 20 10 DGCDMO COCCCOc1cccc(C[N@H+]2Cc3cccc(O)c3C2)c1 ZINC000877703397 623998836 /nfs/dbraw/zinc/99/88/36/623998836.db2.gz HBIUEJLWFHTWBU-UHFFFAOYSA-N 1 1 313.397 3.323 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c1O ZINC000877739727 624012200 /nfs/dbraw/zinc/01/22/00/624012200.db2.gz SXVIATAQTJEOOY-ZYHUDNBSSA-N 1 1 313.850 3.239 20 10 DGCDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)CC[C@@H]21 ZINC000877741270 624013291 /nfs/dbraw/zinc/01/32/91/624013291.db2.gz AEMUXDSNVKWFNY-QUCCMNQESA-N 1 1 313.489 3.203 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)c1 ZINC000877814149 624045874 /nfs/dbraw/zinc/04/58/74/624045874.db2.gz UNHFQFIPEGOPNY-GFCCVEGCSA-N 1 1 304.415 3.155 20 10 DGCDMO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cc(C)ccc1O)CC2 ZINC000877817409 624049157 /nfs/dbraw/zinc/04/91/57/624049157.db2.gz VPNIAIXPLJVXKN-UHFFFAOYSA-N 1 1 310.397 3.217 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC000877825390 624057992 /nfs/dbraw/zinc/05/79/92/624057992.db2.gz ZLCYKFPBEHERSJ-FZMZJTMJSA-N 1 1 303.324 3.242 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](Cc3ccncc3)C1)CCC2 ZINC000782291844 624234585 /nfs/dbraw/zinc/23/45/85/624234585.db2.gz QHEFZHAVPWXQRR-MRXNPFEDSA-N 1 1 308.425 3.341 20 10 DGCDMO COc1cc(C[N@H+]2CCOCC3(CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000782297174 624235409 /nfs/dbraw/zinc/23/54/09/624235409.db2.gz HGCMCFTXMMFVKK-UHFFFAOYSA-N 1 1 319.445 3.311 20 10 DGCDMO c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000127392928 624377579 /nfs/dbraw/zinc/37/75/79/624377579.db2.gz YZKPCTNNPPPMLG-IBGZPJMESA-N 1 1 311.429 3.188 20 10 DGCDMO CCS[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000879648611 624621373 /nfs/dbraw/zinc/62/13/73/624621373.db2.gz WGIXGMFBBCWMIG-MNOVXSKESA-N 1 1 307.419 3.440 20 10 DGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H](CF)C3)cc2)CC1 ZINC000880238510 624861856 /nfs/dbraw/zinc/86/18/56/624861856.db2.gz TUFLZEVUCWQLLA-KRWDZBQOSA-N 1 1 320.452 3.483 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000787290560 624997369 /nfs/dbraw/zinc/99/73/69/624997369.db2.gz OHAZIHYFHLFZQH-CQSZACIVSA-N 1 1 320.339 3.109 20 10 DGCDMO Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788584415 625220057 /nfs/dbraw/zinc/22/00/57/625220057.db2.gz OYHKKGIQKJIEMS-JTQLQIEISA-N 1 1 313.323 3.267 20 10 DGCDMO C[C@@H]([NH2+]CC1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000788586232 625221258 /nfs/dbraw/zinc/22/12/58/625221258.db2.gz ZPGJVKWKKULCBN-SNVBAGLBSA-N 1 1 303.324 3.488 20 10 DGCDMO CC(C)N(C)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788590231 625221685 /nfs/dbraw/zinc/22/16/85/625221685.db2.gz UYTVXVUKIQYAHO-LLVKDONJSA-N 1 1 304.356 3.402 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1O ZINC000788774368 625262477 /nfs/dbraw/zinc/26/24/77/625262477.db2.gz CREUKYHKKZBQJP-DCAQKATOSA-N 1 1 303.324 3.223 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000790948616 625720526 /nfs/dbraw/zinc/72/05/26/625720526.db2.gz CCAHGVRWYYXLCR-LLVKDONJSA-N 1 1 307.752 3.278 20 10 DGCDMO OC[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)Cc1ccccc1 ZINC000790955221 625722570 /nfs/dbraw/zinc/72/25/70/625722570.db2.gz CQVNJFCFGMMMME-ZDUSSCGKSA-N 1 1 323.795 3.126 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1COc2ccccc2C1 ZINC000790962761 625722976 /nfs/dbraw/zinc/72/29/76/625722976.db2.gz RDLSUDNSBOXDHB-LLVKDONJSA-N 1 1 307.752 3.278 20 10 DGCDMO OCCC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCCC1 ZINC000790971912 625727209 /nfs/dbraw/zinc/72/72/09/625727209.db2.gz YZPWZMBGENEKPZ-UHFFFAOYSA-N 1 1 301.789 3.217 20 10 DGCDMO COc1cc(C[N@H+]2CCOC3(CCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000129701017 625741797 /nfs/dbraw/zinc/74/17/97/625741797.db2.gz ARIVLSDXTFBKPF-UHFFFAOYSA-N 1 1 319.445 3.453 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@H](O)c1ccc(F)cc1 ZINC000883003794 625894787 /nfs/dbraw/zinc/89/47/87/625894787.db2.gz HXONSJOEPJETFI-VFZGTOFNSA-N 1 1 311.303 3.021 20 10 DGCDMO COC[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883027920 625901849 /nfs/dbraw/zinc/90/18/49/625901849.db2.gz UGJJGIUQHSWRJV-HNNXBMFYSA-N 1 1 307.340 3.018 20 10 DGCDMO CC(C)(C)C[N@H+](CCCO)Cc1c(O)ccc(Cl)c1F ZINC000792167240 625918175 /nfs/dbraw/zinc/91/81/75/625918175.db2.gz FTDNVDDBMICECP-UHFFFAOYSA-N 1 1 303.805 3.415 20 10 DGCDMO CC(C)(C)C[N@@H+](CCCO)Cc1c(O)ccc(Cl)c1F ZINC000792167240 625918181 /nfs/dbraw/zinc/91/81/81/625918181.db2.gz FTDNVDDBMICECP-UHFFFAOYSA-N 1 1 303.805 3.415 20 10 DGCDMO C[C@](O)(CC[NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000883093733 625925427 /nfs/dbraw/zinc/92/54/27/625925427.db2.gz FQONXOBTYJVRAF-KRWDZBQOSA-N 1 1 307.340 3.058 20 10 DGCDMO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)CC2 ZINC000883101573 625927717 /nfs/dbraw/zinc/92/77/17/625927717.db2.gz MFMLGWAZZUWNBD-CQSZACIVSA-N 1 1 321.371 3.095 20 10 DGCDMO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000883117726 625932585 /nfs/dbraw/zinc/93/25/85/625932585.db2.gz GPBYCCBEOMMWRZ-ZBEGNZNMSA-N 1 1 307.340 3.191 20 10 DGCDMO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000883117724 625933005 /nfs/dbraw/zinc/93/30/05/625933005.db2.gz GPBYCCBEOMMWRZ-BZNIZROVSA-N 1 1 307.340 3.191 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000883180429 625957315 /nfs/dbraw/zinc/95/73/15/625957315.db2.gz CJQASOLDAUMDJB-NUEKZKHPSA-N 1 1 305.299 3.237 20 10 DGCDMO CN1CCCc2cc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)ccc21 ZINC000796726882 626076703 /nfs/dbraw/zinc/07/67/03/626076703.db2.gz GIUFSKXTQIACGC-NLWGTHIKSA-N 1 1 313.489 3.031 20 10 DGCDMO CC[C@@H]([NH2+][C@H](CO)c1ccccc1OC)c1ccc(F)cc1O ZINC000796818468 626086059 /nfs/dbraw/zinc/08/60/59/626086059.db2.gz UTHJHTZNBBGNRD-HZPDHXFCSA-N 1 1 319.376 3.314 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000797418757 626141451 /nfs/dbraw/zinc/14/14/51/626141451.db2.gz VQGYCCGUBOSNMC-BXWFABGCSA-N 1 1 319.445 3.167 20 10 DGCDMO CCN(CC)c1ccc(CNC2(C[NH+](C)C)CCC2)cc1F ZINC000798502627 626221761 /nfs/dbraw/zinc/22/17/61/626221761.db2.gz SXPTZVXVFJQASQ-UHFFFAOYSA-N 1 1 307.457 3.246 20 10 DGCDMO COc1cc(C[N@@H+]2CCC=C(Br)C2)c(O)cc1C ZINC000799573919 626310894 /nfs/dbraw/zinc/31/08/94/626310894.db2.gz JNOQIWNBBARMNG-UHFFFAOYSA-N 1 1 312.207 3.194 20 10 DGCDMO COc1cc(C[N@H+]2CCC=C(Br)C2)c(O)cc1C ZINC000799573919 626310896 /nfs/dbraw/zinc/31/08/96/626310896.db2.gz JNOQIWNBBARMNG-UHFFFAOYSA-N 1 1 312.207 3.194 20 10 DGCDMO C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccc(F)cc1O ZINC000799729384 626325282 /nfs/dbraw/zinc/32/52/82/626325282.db2.gz LILUGKGEVVGEHF-BBRMVZONSA-N 1 1 303.377 3.176 20 10 DGCDMO C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1ccc(F)cc1O ZINC000799729386 626325296 /nfs/dbraw/zinc/32/52/96/626325296.db2.gz LILUGKGEVVGEHF-CJNGLKHVSA-N 1 1 303.377 3.176 20 10 DGCDMO CC(C)OC[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000800525645 626366337 /nfs/dbraw/zinc/36/63/37/626366337.db2.gz VZEXOWAWQIEGDO-SNVBAGLBSA-N 1 1 302.212 3.058 20 10 DGCDMO CCCC[N@@H+](CC(=O)N[C@H](C)C(C)C)Cc1ccccc1O ZINC000801597495 626411881 /nfs/dbraw/zinc/41/18/81/626411881.db2.gz IIIIPLGXJMDNLA-OAHLLOKOSA-N 1 1 306.450 3.155 20 10 DGCDMO C[C@@H](NC1(c2ncccn2)CCC1)c1cc(F)cc(F)c1O ZINC000883312056 626642296 /nfs/dbraw/zinc/64/22/96/626642296.db2.gz SEOUAYOMPMHDQW-SNVBAGLBSA-N 1 1 305.328 3.190 20 10 DGCDMO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000806137155 626701248 /nfs/dbraw/zinc/70/12/48/626701248.db2.gz HIGKSKZEIXDONY-SJLPKXTDSA-N 1 1 319.468 3.246 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CC(C)(C)O1 ZINC000133112943 626766384 /nfs/dbraw/zinc/76/63/84/626766384.db2.gz IXIKTUDKRFRJLJ-SNVBAGLBSA-N 1 1 314.223 3.154 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC(C)(C)O1 ZINC000133112943 626766389 /nfs/dbraw/zinc/76/63/89/626766389.db2.gz IXIKTUDKRFRJLJ-SNVBAGLBSA-N 1 1 314.223 3.154 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H]([C@H]3CCCO3)C1)CCCC2 ZINC000884481523 626887887 /nfs/dbraw/zinc/88/78/87/626887887.db2.gz MCLIOJMSGPYJBT-VQIMIIECSA-N 1 1 301.430 3.272 20 10 DGCDMO c1ccc(CN2CCc3cc(C[N@H+]4CCCOCC4)ccc32)cc1 ZINC000809550972 626919143 /nfs/dbraw/zinc/91/91/43/626919143.db2.gz YMXQHBHFDKAQCZ-UHFFFAOYSA-N 1 1 322.452 3.472 20 10 DGCDMO C[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)CC(C)(C)O ZINC000809575909 626921479 /nfs/dbraw/zinc/92/14/79/626921479.db2.gz GCORVOQRQRCYIQ-UHFFFAOYSA-N 1 1 324.468 3.452 20 10 DGCDMO C[C@H](O)CC[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809578775 626922474 /nfs/dbraw/zinc/92/24/74/626922474.db2.gz QMVPGHJYEGPZPZ-KRWDZBQOSA-N 1 1 324.468 3.452 20 10 DGCDMO CC[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2)C[C@H](C)[S@@]1=O ZINC000809700620 626938919 /nfs/dbraw/zinc/93/89/19/626938919.db2.gz KRHNUBSMTWAHBF-REDKUUPNSA-N 1 1 322.518 3.264 20 10 DGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2)C[C@H](C)[S@@]1=O ZINC000809700620 626938920 /nfs/dbraw/zinc/93/89/20/626938920.db2.gz KRHNUBSMTWAHBF-REDKUUPNSA-N 1 1 322.518 3.264 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000809712835 626940016 /nfs/dbraw/zinc/94/00/16/626940016.db2.gz VNNBAWAVGJYCHR-UHFFFAOYSA-N 1 1 318.367 3.383 20 10 DGCDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000809717379 626940575 /nfs/dbraw/zinc/94/05/75/626940575.db2.gz GYZXLMUPQHAQIT-HNNXBMFYSA-N 1 1 315.413 3.438 20 10 DGCDMO COC(=O)c1cccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000809729862 626942449 /nfs/dbraw/zinc/94/24/49/626942449.db2.gz QASGTORIYKPPOU-UHFFFAOYSA-N 1 1 323.751 3.261 20 10 DGCDMO COC(=O)CCCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000809727266 626942653 /nfs/dbraw/zinc/94/26/53/626942653.db2.gz HBTVHKZJOCQPBU-UHFFFAOYSA-N 1 1 303.761 3.008 20 10 DGCDMO CN(C)CC[N@H+](Cc1ccc(F)cc1)Cc1ccccc1O ZINC000809736202 626943564 /nfs/dbraw/zinc/94/35/64/626943564.db2.gz JRZHYYXZHNZTJZ-UHFFFAOYSA-N 1 1 302.393 3.095 20 10 DGCDMO CN(C)CC[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1O ZINC000809736202 626943566 /nfs/dbraw/zinc/94/35/66/626943566.db2.gz JRZHYYXZHNZTJZ-UHFFFAOYSA-N 1 1 302.393 3.095 20 10 DGCDMO CCOc1ccc(CN(CC)CCC[NH+]2CCCC2)c(O)c1 ZINC000809748967 626946072 /nfs/dbraw/zinc/94/60/72/626946072.db2.gz ADFWGBQIEJJASU-UHFFFAOYSA-N 1 1 306.450 3.099 20 10 DGCDMO C[N@@H+](Cc1ccc(O)cc1)Cc1cc(Br)ccc1O ZINC000809753629 626946806 /nfs/dbraw/zinc/94/68/06/626946806.db2.gz NOXMYOYMWPOFJP-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO CCOC1CC([N@@H+](C)Cc2cc(Br)ccc2O)C1 ZINC000809773381 626950961 /nfs/dbraw/zinc/95/09/61/626950961.db2.gz CNGXZLYMGVRCHE-UHFFFAOYSA-N 1 1 314.223 3.154 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(Cl)ccc1O ZINC000810254767 626993392 /nfs/dbraw/zinc/99/33/92/626993392.db2.gz RATAAMQJJXUWJW-YPMHNXCESA-N 1 1 305.809 3.367 20 10 DGCDMO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000810257057 626993740 /nfs/dbraw/zinc/99/37/40/626993740.db2.gz GQQRLOJFGBESKX-VGMNWLOBSA-N 1 1 320.202 3.368 20 10 DGCDMO CCc1nnc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)s1 ZINC000810259061 626993988 /nfs/dbraw/zinc/99/39/88/626993988.db2.gz AJHLZOZAJJUFKQ-WCBMZHEXSA-N 1 1 307.394 3.283 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)Cc1cccnc1[N+](=O)[O-] ZINC000886192075 627119486 /nfs/dbraw/zinc/11/94/86/627119486.db2.gz GHRMXQYXZUUANJ-UHFFFAOYSA-N 1 1 315.373 3.498 20 10 DGCDMO COc1ccc(CC[NH2+][C@H](C)c2c(O)cccc2F)cc1OC ZINC000886487448 627152095 /nfs/dbraw/zinc/15/20/95/627152095.db2.gz FDGSAPGXXBODDC-GFCCVEGCSA-N 1 1 319.376 3.442 20 10 DGCDMO COCCOc1ccc(C[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886502569 627154188 /nfs/dbraw/zinc/15/41/88/627154188.db2.gz DJKIJHDVWQWMAW-ZDUSSCGKSA-N 1 1 319.376 3.407 20 10 DGCDMO COCCOc1cccc(C[NH2+][C@H](C)c2c(O)cccc2F)c1 ZINC000886506558 627154729 /nfs/dbraw/zinc/15/47/29/627154729.db2.gz YXXQUPJZIQULDI-CYBMUJFWSA-N 1 1 319.376 3.407 20 10 DGCDMO C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1c(O)cccc1F ZINC000886510192 627154936 /nfs/dbraw/zinc/15/49/36/627154936.db2.gz YGQLDLAUEYMGPJ-GFCCVEGCSA-N 1 1 320.433 3.302 20 10 DGCDMO C[C@H]([NH2+]CCN1CCc2sccc2C1)c1c(O)cccc1F ZINC000886510193 627155048 /nfs/dbraw/zinc/15/50/48/627155048.db2.gz YGQLDLAUEYMGPJ-LBPRGKRZSA-N 1 1 320.433 3.302 20 10 DGCDMO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886597192 627170648 /nfs/dbraw/zinc/17/06/48/627170648.db2.gz YSLBJUXLKUNKGM-UKRRQHHQSA-N 1 1 303.377 3.094 20 10 DGCDMO C[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)NC(=O)OC(C)(C)C ZINC000886603112 627171362 /nfs/dbraw/zinc/17/13/62/627171362.db2.gz HKHZKOXYYANVLT-QWRGUYRKSA-N 1 1 312.385 3.095 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1c(O)cccc1F ZINC000886607665 627172278 /nfs/dbraw/zinc/17/22/78/627172278.db2.gz WFBHZDJGJXTPDO-SECBINFHSA-N 1 1 312.291 3.379 20 10 DGCDMO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1c(O)cccc1F ZINC000886612492 627173405 /nfs/dbraw/zinc/17/34/05/627173405.db2.gz MKSYYHNFDWHMHM-ZBQZNYHESA-N 1 1 315.388 3.348 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1c(O)cccc1F ZINC000886620655 627174969 /nfs/dbraw/zinc/17/49/69/627174969.db2.gz PKNPLCZCSSEJRI-OGHNNQOOSA-N 1 1 316.376 3.497 20 10 DGCDMO C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1c(O)cccc1F ZINC000886646159 627179516 /nfs/dbraw/zinc/17/95/16/627179516.db2.gz AVHDTVSOOALSCF-LBPRGKRZSA-N 1 1 301.361 3.455 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811512829 627284799 /nfs/dbraw/zinc/28/47/99/627284799.db2.gz LMDXVNLNMBBBDR-QGZVFWFLSA-N 1 1 312.388 3.168 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000811513386 627286633 /nfs/dbraw/zinc/28/66/33/627286633.db2.gz VHMVBAIUHKXYTK-GOSISDBHSA-N 1 1 308.425 3.338 20 10 DGCDMO COc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(O)cc1C ZINC000811777271 627320861 /nfs/dbraw/zinc/32/08/61/627320861.db2.gz IGVCSWNYWUGYPI-DOTOQJQBSA-N 1 1 305.418 3.099 20 10 DGCDMO CC(C)[N@H+](Cc1cccc(Br)c1O)[C@H]1CCOC1 ZINC000812776763 627419045 /nfs/dbraw/zinc/41/90/45/627419045.db2.gz ONXXSQLHWUBWIG-LBPRGKRZSA-N 1 1 314.223 3.154 20 10 DGCDMO CC(C)[N@@H+](Cc1cccc(Br)c1O)[C@H]1CCOC1 ZINC000812776763 627419046 /nfs/dbraw/zinc/41/90/46/627419046.db2.gz ONXXSQLHWUBWIG-LBPRGKRZSA-N 1 1 314.223 3.154 20 10 DGCDMO CCN1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](C)[C@H]3C)cc2F)CC1 ZINC000813858587 627516863 /nfs/dbraw/zinc/51/68/63/627516863.db2.gz ASTNSTOIYXMANF-IIDMSEBBSA-N 1 1 319.468 3.102 20 10 DGCDMO Cc1cccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000107797473 627546084 /nfs/dbraw/zinc/54/60/84/627546084.db2.gz SANIMPGKEJYTKH-UHFFFAOYSA-N 1 1 309.457 3.037 20 10 DGCDMO CN1C[C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)[C@H]2C1 ZINC000814172899 627546570 /nfs/dbraw/zinc/54/65/70/627546570.db2.gz CUFPUAUJNNVWDJ-MJGOQNOKSA-N 1 1 308.425 3.195 20 10 DGCDMO COc1cccc(CNc2[nH+]c3ccc(F)cc3n2C)c1O ZINC000814256596 627554967 /nfs/dbraw/zinc/55/49/67/627554967.db2.gz SWTBBIVHENKAKQ-UHFFFAOYSA-N 1 1 301.321 3.039 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)ccc1N(C)C ZINC000815020075 627616821 /nfs/dbraw/zinc/61/68/21/627616821.db2.gz YJUSBAHWBKTKTM-QGZVFWFLSA-N 1 1 310.445 3.231 20 10 DGCDMO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815054715 627619371 /nfs/dbraw/zinc/61/93/71/627619371.db2.gz KXBDHFSLDUXVSK-GOSISDBHSA-N 1 1 303.494 3.225 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)NC)cc1 ZINC000815117307 627629078 /nfs/dbraw/zinc/62/90/78/627629078.db2.gz NRPGKDHFZAKNAW-GOSISDBHSA-N 1 1 317.477 3.023 20 10 DGCDMO CCN(C)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000815145337 627637045 /nfs/dbraw/zinc/63/70/45/627637045.db2.gz RUCZZNZJJSYSJX-IBGZPJMESA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000815145337 627637047 /nfs/dbraw/zinc/63/70/47/627637047.db2.gz RUCZZNZJJSYSJX-IBGZPJMESA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000815145337 627637049 /nfs/dbraw/zinc/63/70/49/627637049.db2.gz RUCZZNZJJSYSJX-IBGZPJMESA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(C)c1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000815145337 627637051 /nfs/dbraw/zinc/63/70/51/627637051.db2.gz RUCZZNZJJSYSJX-IBGZPJMESA-N 1 1 301.478 3.060 20 10 DGCDMO CCN(C)c1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000815145337 627637053 /nfs/dbraw/zinc/63/70/53/627637053.db2.gz RUCZZNZJJSYSJX-IBGZPJMESA-N 1 1 301.478 3.060 20 10 DGCDMO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000815147801 627637201 /nfs/dbraw/zinc/63/72/01/627637201.db2.gz WMEWZYXDZZNZTA-OAHLLOKOSA-N 1 1 301.789 3.216 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc(OC)no2)cc1 ZINC000924710565 627671628 /nfs/dbraw/zinc/67/16/28/627671628.db2.gz LYDWFRIBLZDXMA-ZDUSSCGKSA-N 1 1 303.406 3.380 20 10 DGCDMO C[C@@H]([NH2+]CCc1cnn(C)c1)c1cccc(C(F)(F)F)c1O ZINC000815562237 627684977 /nfs/dbraw/zinc/68/49/77/627684977.db2.gz ADLYFFPUEIKDSU-SNVBAGLBSA-N 1 1 313.323 3.038 20 10 DGCDMO C[C@H]([NH2+][C@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1O ZINC000815598356 627689658 /nfs/dbraw/zinc/68/96/58/627689658.db2.gz SLMVEHWONKHMHN-ONGXEEELSA-N 1 1 303.324 3.223 20 10 DGCDMO COC[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)C1CC1 ZINC000815598319 627689938 /nfs/dbraw/zinc/68/99/38/627689938.db2.gz ROZNLAMJVIJVNS-NOZJJQNGSA-N 1 1 303.324 3.487 20 10 DGCDMO C[C@H]([NH2+][C@H](CO)CC(F)F)c1cccc(C(F)(F)F)c1O ZINC000815620213 627691845 /nfs/dbraw/zinc/69/18/45/627691845.db2.gz KKVCTNYBXVFGKK-YUMQZZPRSA-N 1 1 313.266 3.078 20 10 DGCDMO C[C@@H](c1ccc(N(C)C)cc1)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925750950 627787192 /nfs/dbraw/zinc/78/71/92/627787192.db2.gz WRULUKPAGMEMSG-AWEZNQCLSA-N 1 1 311.429 3.290 20 10 DGCDMO CC(C)(C)[N@@H+]1CCCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816498421 627797797 /nfs/dbraw/zinc/79/77/97/627797797.db2.gz USWMJJURHULCDB-UHFFFAOYSA-N 1 1 314.832 3.491 20 10 DGCDMO CC(C)(C)[N@H+]1CCCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816498421 627797800 /nfs/dbraw/zinc/79/78/00/627797800.db2.gz USWMJJURHULCDB-UHFFFAOYSA-N 1 1 314.832 3.491 20 10 DGCDMO Oc1c(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)ccc2ccccc21 ZINC000816514981 627800010 /nfs/dbraw/zinc/80/00/10/627800010.db2.gz LYIRSSZSUQYCBW-OAHLLOKOSA-N 1 1 311.303 3.045 20 10 DGCDMO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816537551 627804107 /nfs/dbraw/zinc/80/41/07/627804107.db2.gz ITUMSDBHHWZWQM-INIZCTEOSA-N 1 1 309.768 3.316 20 10 DGCDMO CN(CC[NH2+]Cc1cc(Cl)c(F)cc1O)Cc1ccccc1 ZINC000816538213 627804136 /nfs/dbraw/zinc/80/41/36/627804136.db2.gz JHXIBRGFMKNEJZ-UHFFFAOYSA-N 1 1 322.811 3.406 20 10 DGCDMO OCc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1F ZINC000816538802 627804319 /nfs/dbraw/zinc/80/43/19/627804319.db2.gz HRSZLZIRSKKTFE-UHFFFAOYSA-N 1 1 313.731 3.106 20 10 DGCDMO CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816548365 627806177 /nfs/dbraw/zinc/80/61/77/627806177.db2.gz FLWQCTCVCVGBEW-GFCCVEGCSA-N 1 1 314.832 3.395 20 10 DGCDMO CCC(CC)(CCO)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816554150 627806828 /nfs/dbraw/zinc/80/68/28/627806828.db2.gz QGRPBORXRLSOTB-UHFFFAOYSA-N 1 1 303.805 3.463 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000816559184 627807831 /nfs/dbraw/zinc/80/78/31/627807831.db2.gz AWILNVYBFFYTPJ-KMUNFCNLSA-N 1 1 311.784 3.232 20 10 DGCDMO CC(C)(C)[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816594506 627812209 /nfs/dbraw/zinc/81/22/09/627812209.db2.gz GWULVUXGTMZMOV-CQSZACIVSA-N 1 1 301.789 3.432 20 10 DGCDMO CC(C)(C)[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816594505 627812593 /nfs/dbraw/zinc/81/25/93/627812593.db2.gz GWULVUXGTMZMOV-AWEZNQCLSA-N 1 1 301.789 3.432 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000816613095 627814358 /nfs/dbraw/zinc/81/43/58/627814358.db2.gz IUSYAKAVDJIUML-NSHDSACASA-N 1 1 307.752 3.451 20 10 DGCDMO CC(C)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1(CO)CCC1 ZINC000816616892 627815157 /nfs/dbraw/zinc/81/51/57/627815157.db2.gz IUNUZRUEAAJYBI-HNNXBMFYSA-N 1 1 315.816 3.462 20 10 DGCDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc4ccccc4c3O)C2)c1 ZINC000816616156 627815582 /nfs/dbraw/zinc/81/55/82/627815582.db2.gz POBUUBFAAPWSIJ-QGZVFWFLSA-N 1 1 307.397 3.497 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000816616886 627815726 /nfs/dbraw/zinc/81/57/26/627815726.db2.gz IQMUPPGCPWAPBY-CYBMUJFWSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000816616886 627815728 /nfs/dbraw/zinc/81/57/28/627815728.db2.gz IQMUPPGCPWAPBY-CYBMUJFWSA-N 1 1 313.800 3.433 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H](O)Cc1ccccc1 ZINC000816625245 627815986 /nfs/dbraw/zinc/81/59/86/627815986.db2.gz XYTVPVVYKAVHFX-AWEZNQCLSA-N 1 1 323.795 3.220 20 10 DGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H](O)Cc1ccccc1 ZINC000816625245 627815991 /nfs/dbraw/zinc/81/59/91/627815991.db2.gz XYTVPVVYKAVHFX-AWEZNQCLSA-N 1 1 323.795 3.220 20 10 DGCDMO C[N@H+](Cc1c(O)cccc1Cl)C[C@@H](O)Cc1ccccc1 ZINC000816625149 627816035 /nfs/dbraw/zinc/81/60/35/627816035.db2.gz ULNUWQXUIJCZOF-AWEZNQCLSA-N 1 1 305.805 3.081 20 10 DGCDMO C[N@@H+]1CCC[C@]2(CCN(Cc3c(O)ccc(Cl)c3F)C2)C1 ZINC000816642122 627817749 /nfs/dbraw/zinc/81/77/49/627817749.db2.gz PXXJBLILHPWFCE-INIZCTEOSA-N 1 1 312.816 3.102 20 10 DGCDMO C[N@H+]1CCC[C@]2(CCN(Cc3c(O)ccc(Cl)c3F)C2)C1 ZINC000816642122 627817752 /nfs/dbraw/zinc/81/77/52/627817752.db2.gz PXXJBLILHPWFCE-INIZCTEOSA-N 1 1 312.816 3.102 20 10 DGCDMO CC1(C)C[N@H+](Cc2ccccc2O)C[C@@](C)(C(F)(F)F)O1 ZINC000816643072 627817935 /nfs/dbraw/zinc/81/79/35/627817935.db2.gz UJUQRVIZZAXKCG-AWEZNQCLSA-N 1 1 303.324 3.324 20 10 DGCDMO CC1(C)C[N@@H+](Cc2ccccc2O)C[C@@](C)(C(F)(F)F)O1 ZINC000816643072 627817940 /nfs/dbraw/zinc/81/79/40/627817940.db2.gz UJUQRVIZZAXKCG-AWEZNQCLSA-N 1 1 303.324 3.324 20 10 DGCDMO CN1CCC[C@@]2(CC[N@H+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000816642239 627818651 /nfs/dbraw/zinc/81/86/51/627818651.db2.gz ULGJZPMZZLYIGS-HXUWFJFHSA-N 1 1 310.441 3.463 20 10 DGCDMO CN1CCC[C@@]2(CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000816642239 627818657 /nfs/dbraw/zinc/81/86/57/627818657.db2.gz ULGJZPMZZLYIGS-HXUWFJFHSA-N 1 1 310.441 3.463 20 10 DGCDMO CC[C@@H]1CN(C)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000816660703 627821543 /nfs/dbraw/zinc/82/15/43/627821543.db2.gz MTJRXVYDVMKESV-GOSISDBHSA-N 1 1 301.478 3.203 20 10 DGCDMO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000816660703 627821547 /nfs/dbraw/zinc/82/15/47/627821547.db2.gz MTJRXVYDVMKESV-GOSISDBHSA-N 1 1 301.478 3.203 20 10 DGCDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000816660703 627821551 /nfs/dbraw/zinc/82/15/51/627821551.db2.gz MTJRXVYDVMKESV-GOSISDBHSA-N 1 1 301.478 3.203 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000816665216 627822690 /nfs/dbraw/zinc/82/26/90/627822690.db2.gz XSDAAVQZICFUFB-LBPRGKRZSA-N 1 1 308.378 3.225 20 10 DGCDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1O ZINC000817412428 627895919 /nfs/dbraw/zinc/89/59/19/627895919.db2.gz KYLFNLAHHLOWRH-UKRRQHHQSA-N 1 1 305.418 3.334 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@H](NC(C)=O)C2)cc1 ZINC000817413104 627896516 /nfs/dbraw/zinc/89/65/16/627896516.db2.gz UBLBPXSPHPXGCO-SFHVURJKSA-N 1 1 317.477 3.023 20 10 DGCDMO CN(C)c1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1F ZINC000817901172 627956088 /nfs/dbraw/zinc/95/60/88/627956088.db2.gz SVONSIRNCZUOKW-CGTJXYLNSA-N 1 1 319.468 3.292 20 10 DGCDMO COc1cccc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817939034 627967756 /nfs/dbraw/zinc/96/77/56/627967756.db2.gz XZISWMMIWWMLIE-KUHUBIRLSA-N 1 1 313.445 3.112 20 10 DGCDMO CC[NH2+]CCC[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000817943114 627969448 /nfs/dbraw/zinc/96/94/48/627969448.db2.gz IRKHNAYPWYXZME-ZDUSSCGKSA-N 1 1 315.255 3.195 20 10 DGCDMO CC[NH2+]CCC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000817943384 627969558 /nfs/dbraw/zinc/96/95/58/627969558.db2.gz MJBDORJLRXMUNA-ZDUSSCGKSA-N 1 1 304.356 3.451 20 10 DGCDMO CCC[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817942911 627969587 /nfs/dbraw/zinc/96/95/87/627969587.db2.gz RMZKZJRKYOUDFF-RBUKOAKNSA-N 1 1 312.461 3.278 20 10 DGCDMO CCc1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)o1 ZINC000817942361 627969923 /nfs/dbraw/zinc/96/99/23/627969923.db2.gz OLBGSHGSGHARGM-SUMWQHHRSA-N 1 1 301.434 3.259 20 10 DGCDMO CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817955402 627974154 /nfs/dbraw/zinc/97/41/54/627974154.db2.gz XPOFPIHWZMRAGO-FZMZJTMJSA-N 1 1 316.367 3.451 20 10 DGCDMO C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000817968056 627978646 /nfs/dbraw/zinc/97/86/46/627978646.db2.gz NXOALRWHXLIBRV-BXWFABGCSA-N 1 1 301.478 3.326 20 10 DGCDMO C[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817970768 627980093 /nfs/dbraw/zinc/98/00/93/627980093.db2.gz DQZWUQGHIMECKJ-RVKKMQEKSA-N 1 1 319.468 3.465 20 10 DGCDMO C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2c1c(F)ccc2[O-] ZINC000817974811 627981185 /nfs/dbraw/zinc/98/11/85/627981185.db2.gz FRZJFALGFNGZEX-ABHRYQDASA-N 1 1 306.425 3.434 20 10 DGCDMO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C)c3ccc(F)cc3O)C2)n1 ZINC000927054130 628002962 /nfs/dbraw/zinc/00/29/62/628002962.db2.gz USHVZNAZUFWTHT-NQBHXWOUSA-N 1 1 319.380 3.464 20 10 DGCDMO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1O ZINC000927080404 628009371 /nfs/dbraw/zinc/00/93/71/628009371.db2.gz IYQVOSYMUXKHDX-NXEZZACHSA-N 1 1 320.216 3.155 20 10 DGCDMO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccccc2O)s1 ZINC000818358309 628018327 /nfs/dbraw/zinc/01/83/27/628018327.db2.gz UDBUAKNICLKOEJ-ZJUUUORDSA-N 1 1 306.387 3.047 20 10 DGCDMO CCCN(Cc1ccccc1O)C(=O)Cn1cc[nH+]c1C(C)C ZINC000820880156 628308739 /nfs/dbraw/zinc/30/87/39/628308739.db2.gz XQHLMLANJVTBHF-UHFFFAOYSA-N 1 1 315.417 3.151 20 10 DGCDMO C[N@H+]1C[C@@H]2CCCN(Cc3ccc(N4CCCCC4)cc3)[C@@H]2C1 ZINC000822520689 628460994 /nfs/dbraw/zinc/46/09/94/628460994.db2.gz LWBILBVCBPPNMP-AZUAARDMSA-N 1 1 313.489 3.203 20 10 DGCDMO CN1C[C@@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)[C@@H]2C1 ZINC000822520689 628460996 /nfs/dbraw/zinc/46/09/96/628460996.db2.gz LWBILBVCBPPNMP-AZUAARDMSA-N 1 1 313.489 3.203 20 10 DGCDMO CN1C[C@@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)[C@@H]2C1 ZINC000822520689 628460998 /nfs/dbraw/zinc/46/09/98/628460998.db2.gz LWBILBVCBPPNMP-AZUAARDMSA-N 1 1 313.489 3.203 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000822539404 628462494 /nfs/dbraw/zinc/46/24/94/628462494.db2.gz IFFOZFMZYINBAO-GXTWGEPZSA-N 1 1 320.389 3.367 20 10 DGCDMO O=[N+]([O-])c1cc(C[NH+]2CC3(CC3)C2)ccc1N1CCCCC1 ZINC000824533786 628667929 /nfs/dbraw/zinc/66/79/29/628667929.db2.gz OATHFZRDWZBWSB-UHFFFAOYSA-N 1 1 301.390 3.181 20 10 DGCDMO COC(=O)C[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C(C)C ZINC000824581835 628673713 /nfs/dbraw/zinc/67/37/13/628673713.db2.gz VXVCQKCQQCWQAR-UHFFFAOYSA-N 1 1 323.433 3.082 20 10 DGCDMO COC(=O)C[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C(C)C ZINC000824581835 628673719 /nfs/dbraw/zinc/67/37/19/628673719.db2.gz VXVCQKCQQCWQAR-UHFFFAOYSA-N 1 1 323.433 3.082 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000824696333 628684667 /nfs/dbraw/zinc/68/46/67/628684667.db2.gz LJXXNAKDVQSPEJ-QRVBRYPASA-N 1 1 302.462 3.268 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1O ZINC000824696311 628684910 /nfs/dbraw/zinc/68/49/10/628684910.db2.gz KXJURFRMTFENJT-BRWVUGGUSA-N 1 1 319.445 3.306 20 10 DGCDMO COc1cc(O)c(C[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1OC ZINC000824702049 628685231 /nfs/dbraw/zinc/68/52/31/628685231.db2.gz HFFFFMJXGOGOMJ-MOMAJJCNSA-N 1 1 315.413 3.053 20 10 DGCDMO CC(C)n1cc(C2=CCC[N@@H+](Cc3ccccc3O)CC2)nn1 ZINC000824738611 628688337 /nfs/dbraw/zinc/68/83/37/628688337.db2.gz OVQDHLIYNJDERW-UHFFFAOYSA-N 1 1 312.417 3.244 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1Cl ZINC000824769696 628691583 /nfs/dbraw/zinc/69/15/83/628691583.db2.gz XXRCXJJOJYCTHE-YPMHNXCESA-N 1 1 323.742 3.242 20 10 DGCDMO Oc1ccccc1C[N@@H+](Cc1cnn2c1CCC2)C1CCCC1 ZINC000824778272 628692830 /nfs/dbraw/zinc/69/28/30/628692830.db2.gz RGDCNBTXVAWVPN-UHFFFAOYSA-N 1 1 311.429 3.480 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C[C@H]1C ZINC000824815771 628697528 /nfs/dbraw/zinc/69/75/28/628697528.db2.gz YZCJLJUBKVVMMN-YGRLFVJLSA-N 1 1 314.223 3.012 20 10 DGCDMO OC[C@H]([C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1)C1CC1 ZINC000824844791 628699442 /nfs/dbraw/zinc/69/94/42/628699442.db2.gz CTYJYECXPKGJCG-BLLLJJGKSA-N 1 1 313.800 3.071 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2cnccc2C)c1 ZINC000824908640 628704750 /nfs/dbraw/zinc/70/47/50/628704750.db2.gz AXDSAWJBHWYJGG-UHFFFAOYSA-N 1 1 321.218 3.456 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCS[C@H]3COCC[C@H]32)cc1Cl ZINC000824913257 628705674 /nfs/dbraw/zinc/70/56/74/628705674.db2.gz NBELEVOYHVTXDH-HIFRSBDPSA-N 1 1 313.850 3.060 20 10 DGCDMO Oc1cc(Br)ccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000825365115 628753506 /nfs/dbraw/zinc/75/35/06/628753506.db2.gz FSHLPLKNDPKQMH-LBPRGKRZSA-N 1 1 322.206 3.045 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H]2CCO)c(O)c(C(C)(C)C)c1 ZINC000825566893 628774138 /nfs/dbraw/zinc/77/41/38/628774138.db2.gz BKXIZOOYFJQYBQ-AWEZNQCLSA-N 1 1 307.434 3.045 20 10 DGCDMO COc1cc(C[N@@H+](CCO)C2CCC2)c(O)c(C(C)(C)C)c1 ZINC000825634114 628779669 /nfs/dbraw/zinc/77/96/69/628779669.db2.gz IZCQTQVDGMFCEL-UHFFFAOYSA-N 1 1 307.434 3.045 20 10 DGCDMO Cc1ccncc1C[N@@H+](C)Cc1ccc(Br)cc1O ZINC000825748720 628793838 /nfs/dbraw/zinc/79/38/38/628793838.db2.gz HNLHQHCSEDJMDB-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO Cc1ccc(C[N@@H+](CCO)Cc2cc(Cl)c(C)cc2O)o1 ZINC000825754098 628794504 /nfs/dbraw/zinc/79/45/04/628794504.db2.gz ZULNVTOYEQBAIB-UHFFFAOYSA-N 1 1 309.793 3.250 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc1Cl ZINC000825928212 628810831 /nfs/dbraw/zinc/81/08/31/628810831.db2.gz NUMXYOBARHXOBC-LBPRGKRZSA-N 1 1 305.809 3.077 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@H](O)C2(C)C)c(O)c(C(C)(C)C)c1 ZINC000825956240 628815051 /nfs/dbraw/zinc/81/50/51/628815051.db2.gz ZTDIDILPDSSDNV-HNNXBMFYSA-N 1 1 307.434 3.044 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000826097029 628827890 /nfs/dbraw/zinc/82/78/90/628827890.db2.gz MNGMTFPJIVCAMD-TVQRCGJNSA-N 1 1 323.742 3.099 20 10 DGCDMO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000826866874 628897496 /nfs/dbraw/zinc/89/74/96/628897496.db2.gz GFBYYKFPVGFJQC-LLVKDONJSA-N 1 1 300.805 3.147 20 10 DGCDMO COCC1(C2CCC2)C[NH+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000827011789 628912698 /nfs/dbraw/zinc/91/26/98/628912698.db2.gz OWCCWZLKXCSCSF-UHFFFAOYSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000827172343 628931732 /nfs/dbraw/zinc/93/17/32/628931732.db2.gz RIAMONHTGZNRPA-GOEBONIOSA-N 1 1 307.752 3.453 20 10 DGCDMO Cc1cc(C(=O)C[N@H+](C)CC2CC2)c(C)n1-c1ccc(F)cn1 ZINC000827434776 628958884 /nfs/dbraw/zinc/95/88/84/628958884.db2.gz LUAAWPBEVICAAK-UHFFFAOYSA-N 1 1 315.392 3.153 20 10 DGCDMO Cc1cc(C(=O)C[N@@H+](C)CC2CC2)c(C)n1-c1ccc(F)cn1 ZINC000827434776 628958888 /nfs/dbraw/zinc/95/88/88/628958888.db2.gz LUAAWPBEVICAAK-UHFFFAOYSA-N 1 1 315.392 3.153 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)c1O ZINC000827545219 628969415 /nfs/dbraw/zinc/96/94/15/628969415.db2.gz WXWAIWHFIKXIDK-QGZVFWFLSA-N 1 1 312.413 3.112 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000827596674 628975414 /nfs/dbraw/zinc/97/54/14/628975414.db2.gz ZHCQBRWTZRXCRJ-ZWKOTPCHSA-N 1 1 300.446 3.145 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)cc1F ZINC000827698654 628983845 /nfs/dbraw/zinc/98/38/45/628983845.db2.gz AEJABOGYEVTOMX-RDTXWAMCSA-N 1 1 308.441 3.122 20 10 DGCDMO c1[nH]nc2c1C[N@@H+](Cc1ccc(N3CCCCC3)cc1)CCC2 ZINC000828013733 629013986 /nfs/dbraw/zinc/01/39/86/629013986.db2.gz IVKAOBCBZGKBSD-UHFFFAOYSA-N 1 1 310.445 3.348 20 10 DGCDMO CCc1cccc(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)c1O ZINC000828013844 629014410 /nfs/dbraw/zinc/01/44/10/629014410.db2.gz LYKUYUZPDOGQLQ-UHFFFAOYSA-N 1 1 313.445 3.273 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@](C)(O)C2)ccc1N1CCCCC1 ZINC000828582827 629070614 /nfs/dbraw/zinc/07/06/14/629070614.db2.gz LQNRCFDVHUHDTB-IBGZPJMESA-N 1 1 302.462 3.332 20 10 DGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@@H](F)C3)cc2)CC1 ZINC000828736592 629086855 /nfs/dbraw/zinc/08/68/55/629086855.db2.gz HHYFYXWCVWNEAY-BEFAXECRSA-N 1 1 320.452 3.482 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@]2(C)CO)ccc1N1CCCCC1 ZINC000828869016 629103384 /nfs/dbraw/zinc/10/33/84/629103384.db2.gz YHKRMNHWWUXLIF-LJQANCHMSA-N 1 1 302.462 3.332 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000828987793 629117396 /nfs/dbraw/zinc/11/73/96/629117396.db2.gz LQKNTTXBBHQPHG-LPHOPBHVSA-N 1 1 302.462 3.188 20 10 DGCDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828990327 629117549 /nfs/dbraw/zinc/11/75/49/629117549.db2.gz CDVDRHBRZJAYPR-IBGZPJMESA-N 1 1 302.462 3.332 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1O ZINC000834831536 629785794 /nfs/dbraw/zinc/78/57/94/629785794.db2.gz JUXLDMKATUXMNN-BXKDBHETSA-N 1 1 311.307 3.403 20 10 DGCDMO CC[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)[C@@H](C)O ZINC000834888221 629798662 /nfs/dbraw/zinc/79/86/62/629798662.db2.gz NPWQBHLFDAOASN-SXMVTHIZSA-N 1 1 320.202 3.104 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCOCC2CCCC2)c1 ZINC000834910359 629806534 /nfs/dbraw/zinc/80/65/34/629806534.db2.gz OJKVCKZRAWXPGB-ZDUSSCGKSA-N 1 1 321.417 3.036 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)c1 ZINC000834913051 629807633 /nfs/dbraw/zinc/80/76/33/629807633.db2.gz YXQVEDUPUMRXLJ-OLZOCXBDSA-N 1 1 321.417 3.035 20 10 DGCDMO CCN1CCC([N@@H+](C)C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835025325 629827461 /nfs/dbraw/zinc/82/74/61/629827461.db2.gz IBWNVCIRDKUJJG-SREVYHEPSA-N 1 1 301.478 3.182 20 10 DGCDMO CC[NH+]1CCC(N(C)C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835025325 629827465 /nfs/dbraw/zinc/82/74/65/629827465.db2.gz IBWNVCIRDKUJJG-SREVYHEPSA-N 1 1 301.478 3.182 20 10 DGCDMO CCC[N@@H+](C)C[C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027116 629827627 /nfs/dbraw/zinc/82/76/27/629827627.db2.gz BJQSDCNUTLPSRF-GHOSXJJBSA-N 1 1 315.505 3.430 20 10 DGCDMO CC(C)c1nnc([C@@H](C)[NH2+]CC=Cc2ccc(N(C)C)cc2)[nH]1 ZINC000835042392 629832961 /nfs/dbraw/zinc/83/29/61/629832961.db2.gz UXFCWJXEJUYTRC-PSKZRQQASA-N 1 1 313.449 3.358 20 10 DGCDMO COC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1ccco1 ZINC000835043596 629833765 /nfs/dbraw/zinc/83/37/65/629833765.db2.gz SOOMPSADASYBSF-AATOQMJSSA-N 1 1 300.402 3.336 20 10 DGCDMO Cc1cnn([C@H]2CC[N@H+](C/C=C\c3ccc(N(C)C)cc3)C2)c1 ZINC000835052666 629837435 /nfs/dbraw/zinc/83/74/35/629837435.db2.gz ILNPBORSSVVLGW-HMECNJMJSA-N 1 1 310.445 3.218 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000835055538 629838354 /nfs/dbraw/zinc/83/83/54/629838354.db2.gz VTRLDFCJBBDASF-LJGDMLDFSA-N 1 1 314.473 3.391 20 10 DGCDMO CN(C)c1ccc(/C=C\CNC(C)(C)C[NH+]2CCCC2)cc1 ZINC000835054884 629838670 /nfs/dbraw/zinc/83/86/70/629838670.db2.gz MQOYRMLTKRFXGQ-FPLPWBNLSA-N 1 1 301.478 3.230 20 10 DGCDMO CC(C)[C@]1(CO)CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835055488 629838737 /nfs/dbraw/zinc/83/87/37/629838737.db2.gz KUFCJMFMNXZPHG-ZEZYUPADSA-N 1 1 316.489 3.496 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000835054238 629838902 /nfs/dbraw/zinc/83/89/02/629838902.db2.gz TVXAWWDFIGDVHL-ONEGZZNKSA-N 1 1 324.424 3.366 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000835054238 629838908 /nfs/dbraw/zinc/83/89/08/629838908.db2.gz TVXAWWDFIGDVHL-ONEGZZNKSA-N 1 1 324.424 3.366 20 10 DGCDMO CC(C)[C@]1(CO)CCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835055487 629839050 /nfs/dbraw/zinc/83/90/50/629839050.db2.gz KUFCJMFMNXZPHG-MWGFUINXSA-N 1 1 316.489 3.496 20 10 DGCDMO COCc1nc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)cs1 ZINC000835056001 629839561 /nfs/dbraw/zinc/83/95/61/629839561.db2.gz QULZCKMENGJEEY-SNAWJCMRSA-N 1 1 317.458 3.159 20 10 DGCDMO C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC[N@H+](C2CC2)C1 ZINC000835055549 629839657 /nfs/dbraw/zinc/83/96/57/629839657.db2.gz WATDATCUXOHLKZ-LAQIPUCWSA-N 1 1 313.489 3.182 20 10 DGCDMO C[C@H]1CN(C2CC2)CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835055549 629839661 /nfs/dbraw/zinc/83/96/61/629839661.db2.gz WATDATCUXOHLKZ-LAQIPUCWSA-N 1 1 313.489 3.182 20 10 DGCDMO C[C@H]1CN(C2CC2)CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835055549 629839665 /nfs/dbraw/zinc/83/96/65/629839665.db2.gz WATDATCUXOHLKZ-LAQIPUCWSA-N 1 1 313.489 3.182 20 10 DGCDMO CC1(C)C[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000835059583 629840999 /nfs/dbraw/zinc/84/09/99/629840999.db2.gz JFVWOKNMIBICJX-SNVBAGLBSA-N 1 1 301.789 3.480 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)CC(F)(F)F)c1 ZINC000840870837 630369532 /nfs/dbraw/zinc/36/95/32/630369532.db2.gz AHHDFHRTRWRMGR-VHSXEESVSA-N 1 1 319.323 3.418 20 10 DGCDMO Cc1cc(O)c(C[N@H+](CCCO)Cc2ccccn2)c(Cl)c1 ZINC000840949064 630382723 /nfs/dbraw/zinc/38/27/23/630382723.db2.gz PHYCLZYHEPOPDL-UHFFFAOYSA-N 1 1 320.820 3.134 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](CCCO)Cc2ccccn2)c(Cl)c1 ZINC000840949064 630382727 /nfs/dbraw/zinc/38/27/27/630382727.db2.gz PHYCLZYHEPOPDL-UHFFFAOYSA-N 1 1 320.820 3.134 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(Cl)c1 ZINC000840951325 630383365 /nfs/dbraw/zinc/38/33/65/630383365.db2.gz WJGASZROOIXABG-NOZJJQNGSA-N 1 1 323.742 3.099 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840956152 630384721 /nfs/dbraw/zinc/38/47/21/630384721.db2.gz HJOQFQOCQJZHDN-JKSUJKDBSA-N 1 1 303.789 3.354 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1F ZINC000840958231 630384759 /nfs/dbraw/zinc/38/47/59/630384759.db2.gz OAZWMDABKJDGAZ-VQIMIIECSA-N 1 1 314.404 3.200 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1F ZINC000840958226 630385482 /nfs/dbraw/zinc/38/54/82/630385482.db2.gz OAZWMDABKJDGAZ-LPHOPBHVSA-N 1 1 314.404 3.200 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1 ZINC000840968642 630387989 /nfs/dbraw/zinc/38/79/89/630387989.db2.gz BQSHARDXCXWCJP-GOSISDBHSA-N 1 1 319.445 3.428 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c(O)c1 ZINC000840970406 630388701 /nfs/dbraw/zinc/38/87/01/630388701.db2.gz QEFAMXDNXSATGG-GOSISDBHSA-N 1 1 319.445 3.428 20 10 DGCDMO CN(C)c1ccc(/C=C/CN[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000841039398 630400743 /nfs/dbraw/zinc/40/07/43/630400743.db2.gz NLVOZRPHMKQYNE-GHOSXJJBSA-N 1 1 301.478 3.263 20 10 DGCDMO CN(C)c1ccc(CNC2(C)CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000841064765 630403766 /nfs/dbraw/zinc/40/37/66/630403766.db2.gz JBKNTSNMRIPCBG-UHFFFAOYSA-N 1 1 315.383 3.003 20 10 DGCDMO CC1(C)C[NH2+]CC[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000841070307 630404231 /nfs/dbraw/zinc/40/42/31/630404231.db2.gz NBMITKTWFWNASP-SFHVURJKSA-N 1 1 301.478 3.155 20 10 DGCDMO COc1cc(Cl)cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841086054 630406171 /nfs/dbraw/zinc/40/61/71/630406171.db2.gz GCUMAVLJSYCPOA-IUODEOHRSA-N 1 1 324.852 3.018 20 10 DGCDMO COCCCC[N@@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000842171001 630502036 /nfs/dbraw/zinc/50/20/36/630502036.db2.gz GXUMKBONGKYAQH-UHFFFAOYSA-N 1 1 320.477 3.160 20 10 DGCDMO C[N@@H+](Cc1cc2c(cc1O)CCC2)C[C@]1(O)CCc2ccccc21 ZINC000842623276 630554766 /nfs/dbraw/zinc/55/47/66/630554766.db2.gz LHSGKHBVLRDHGC-OAQYLSRUSA-N 1 1 323.436 3.147 20 10 DGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000842622194 630555351 /nfs/dbraw/zinc/55/53/51/630555351.db2.gz GRHZKRQZAWMPNS-SFHVURJKSA-N 1 1 315.438 3.253 20 10 DGCDMO C[C@H]1CC2(C[N@H+]1Cc1cc3c(cc1O)CCC3)CCOCC2 ZINC000842638191 630557114 /nfs/dbraw/zinc/55/71/14/630557114.db2.gz XAKAVJOYODEBDT-AWEZNQCLSA-N 1 1 301.430 3.272 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(Br)c(F)cc1O ZINC000842928290 630594435 /nfs/dbraw/zinc/59/44/35/630594435.db2.gz JAIDBDXORDAAFM-HLTSFMKQSA-N 1 1 318.186 3.122 20 10 DGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843044486 630607467 /nfs/dbraw/zinc/60/74/67/630607467.db2.gz DGPASMZFXSLUAS-IAQYHMDHSA-N 1 1 312.816 3.149 20 10 DGCDMO CN(C)c1ccc(/C=C\CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000843044012 630607786 /nfs/dbraw/zinc/60/77/86/630607786.db2.gz FYGKEOANWVZRNV-JBJGNSMKSA-N 1 1 313.489 3.230 20 10 DGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843046839 630608463 /nfs/dbraw/zinc/60/84/63/630608463.db2.gz FFQCJFKSARPVIO-UFRUDQCGSA-N 1 1 313.489 3.392 20 10 DGCDMO Oc1c(F)cc(Cl)cc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000843054475 630609584 /nfs/dbraw/zinc/60/95/84/630609584.db2.gz NFLUUBPLPZCKIO-UHFFFAOYSA-N 1 1 312.816 3.149 20 10 DGCDMO CC(=O)c1cc(F)cc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1[O-] ZINC000843384841 630651061 /nfs/dbraw/zinc/65/10/61/630651061.db2.gz CFLYMENRFAKKRG-UHFFFAOYSA-N 1 1 322.424 3.075 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1O ZINC000843415906 630654481 /nfs/dbraw/zinc/65/44/81/630654481.db2.gz FAHHJNPLMLMLKX-CVEARBPZSA-N 1 1 305.418 3.182 20 10 DGCDMO COC(=O)c1cccc2c1C[N@@H+](Cc1cc(C)ccc1O)CC2 ZINC000843429525 630657535 /nfs/dbraw/zinc/65/75/35/630657535.db2.gz DRPRUAMVQIAPNU-UHFFFAOYSA-N 1 1 311.381 3.046 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1 ZINC000843432150 630658327 /nfs/dbraw/zinc/65/83/27/630658327.db2.gz RFMHRFYTHZTPNB-CQSZACIVSA-N 1 1 305.418 3.182 20 10 DGCDMO CC[N@H+](CCSC)Cc1cccc(Br)c1O ZINC000843437309 630659632 /nfs/dbraw/zinc/65/96/32/630659632.db2.gz AVAXWQBXQNKCTO-UHFFFAOYSA-N 1 1 304.253 3.340 20 10 DGCDMO CC[N@@H+](CCSC)Cc1cccc(Br)c1O ZINC000843437309 630659635 /nfs/dbraw/zinc/65/96/35/630659635.db2.gz AVAXWQBXQNKCTO-UHFFFAOYSA-N 1 1 304.253 3.340 20 10 DGCDMO CN(C)c1ccc(C[N@H+](Cc2cc3n(n2)CCCC3)C2CC2)cc1 ZINC000844277600 630715314 /nfs/dbraw/zinc/71/53/14/630715314.db2.gz DEJJNVVGABQIRG-UHFFFAOYSA-N 1 1 324.472 3.450 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](Cc2cc3n(n2)CCCC3)C2CC2)cc1 ZINC000844277600 630715315 /nfs/dbraw/zinc/71/53/15/630715315.db2.gz DEJJNVVGABQIRG-UHFFFAOYSA-N 1 1 324.472 3.450 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)CC[C@H]2CCCCO2)cc1 ZINC000844401096 630724759 /nfs/dbraw/zinc/72/47/59/630724759.db2.gz KHLXOYBLTRMNEN-GOSISDBHSA-N 1 1 306.450 3.022 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1O ZINC000844470443 630732916 /nfs/dbraw/zinc/73/29/16/630732916.db2.gz HWTSIFOFJNZXAI-CQSZACIVSA-N 1 1 315.747 3.479 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1O ZINC000844470443 630732917 /nfs/dbraw/zinc/73/29/17/630732917.db2.gz HWTSIFOFJNZXAI-CQSZACIVSA-N 1 1 315.747 3.479 20 10 DGCDMO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000844759039 630845319 /nfs/dbraw/zinc/84/53/19/630845319.db2.gz OZCNTXOBGSUWLL-AWEZNQCLSA-N 1 1 323.433 3.261 20 10 DGCDMO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000844759039 630845322 /nfs/dbraw/zinc/84/53/22/630845322.db2.gz OZCNTXOBGSUWLL-AWEZNQCLSA-N 1 1 323.433 3.261 20 10 DGCDMO Oc1c(F)cccc1C[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000844911998 630977261 /nfs/dbraw/zinc/97/72/61/630977261.db2.gz QOWNDTYNQCLUTR-HNNXBMFYSA-N 1 1 300.377 3.438 20 10 DGCDMO Oc1ccc(Cl)cc1CNc1nc(N2CCCC2)cc[nH+]1 ZINC000845709538 631190660 /nfs/dbraw/zinc/19/06/60/631190660.db2.gz UDXWYOCTQFTVKU-UHFFFAOYSA-N 1 1 304.781 3.048 20 10 DGCDMO COc1cccc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)c1O ZINC000846139552 631211628 /nfs/dbraw/zinc/21/16/28/631211628.db2.gz VHDQAZBGJXLOMN-AWEZNQCLSA-N 1 1 306.450 3.172 20 10 DGCDMO COc1cccc([C@H](C)[NH2+][C@H]2COc3cc(F)cc(F)c32)c1O ZINC000846162073 631213074 /nfs/dbraw/zinc/21/30/74/631213074.db2.gz GHBRTNKMEZBPQD-ZANVPECISA-N 1 1 321.323 3.463 20 10 DGCDMO C[C@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1ccc(F)cc1O ZINC000846177316 631213471 /nfs/dbraw/zinc/21/34/71/631213471.db2.gz AAKDTNCQUSDXOZ-ORAYPTAESA-N 1 1 315.388 3.058 20 10 DGCDMO CCOC(C[N@@H+](CC)Cc1ccc(N(C)C)c(C)c1)OCC ZINC000846976694 631372092 /nfs/dbraw/zinc/37/20/92/631372092.db2.gz RBWRXVPJNSSESY-UHFFFAOYSA-N 1 1 308.466 3.282 20 10 DGCDMO COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000848573568 631699181 /nfs/dbraw/zinc/69/91/81/631699181.db2.gz VOWFEXQGDFGNHK-GFCCVEGCSA-N 1 1 317.360 3.098 20 10 DGCDMO CCc1cccc(C[NH+]2CCN(C(=O)C(CC)CC)CC2)c1O ZINC000848881711 631769016 /nfs/dbraw/zinc/76/90/16/631769016.db2.gz RLILDHAHQDDLGX-UHFFFAOYSA-N 1 1 318.461 3.035 20 10 DGCDMO CCc1cccc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)c1O ZINC000848882811 631769165 /nfs/dbraw/zinc/76/91/65/631769165.db2.gz BVQZWPJUCUAMBK-UHFFFAOYSA-N 1 1 324.424 3.471 20 10 DGCDMO CCc1cccc(C[N@@H+]2Cc3ccc(C(=O)OC)cc3C2)c1O ZINC000848883617 631771253 /nfs/dbraw/zinc/77/12/53/631771253.db2.gz ANZYWGATYUMZTI-UHFFFAOYSA-N 1 1 311.381 3.257 20 10 DGCDMO CCc1cccc(C[N@H+]2Cc3ccc(C(=O)OC)cc3C2)c1O ZINC000848883617 631771256 /nfs/dbraw/zinc/77/12/56/631771256.db2.gz ANZYWGATYUMZTI-UHFFFAOYSA-N 1 1 311.381 3.257 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000848911235 631782968 /nfs/dbraw/zinc/78/29/68/631782968.db2.gz SFVJTOKZULGKIV-HNNXBMFYSA-N 1 1 317.351 3.234 20 10 DGCDMO CCc1cccc(C[N@@H+](CCCOC)Cc2ccncc2)c1O ZINC000848909994 631783016 /nfs/dbraw/zinc/78/30/16/631783016.db2.gz DHLTWGCWFBTUOD-UHFFFAOYSA-N 1 1 314.429 3.388 20 10 DGCDMO CCc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000848915832 631785366 /nfs/dbraw/zinc/78/53/66/631785366.db2.gz MKJKXHXPXCVEFO-KURKYZTESA-N 1 1 303.446 3.470 20 10 DGCDMO CCc1cccc(C[N@H+](Cc2cnn(C)c2)CC(C)C)c1O ZINC000848915080 631785432 /nfs/dbraw/zinc/78/54/32/631785432.db2.gz SJXGPJPGPWJIMF-UHFFFAOYSA-N 1 1 301.434 3.346 20 10 DGCDMO Cc1cc(Br)cc(C[NH+]2CC3(CC3(F)F)C2)c1O ZINC000848922467 631788853 /nfs/dbraw/zinc/78/88/53/631788853.db2.gz TXCOBNOYMRIINY-UHFFFAOYSA-N 1 1 318.161 3.304 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1 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DGCDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001639387519 1194762762 /nfs/dbraw/zinc/76/27/62/1194762762.db2.gz MVWKUDXBQRMEIQ-MRXNPFEDSA-N 1 1 312.413 3.034 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@H](CO)[C@H]2C)ccc1N1CCCCC1 ZINC001642906453 1194953157 /nfs/dbraw/zinc/95/31/57/1194953157.db2.gz RZCBDUPYIXPZBC-SJLPKXTDSA-N 1 1 302.462 3.188 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC001643685494 1195045048 /nfs/dbraw/zinc/04/50/48/1195045048.db2.gz ZSYXFJYSHRDSTP-IXDOHACOSA-N 1 1 302.462 3.499 20 10 DGCDMO COc1ccc(N(C)C[C@@H]2CCCC[N@H+]2C(C)C)cc1OC ZINC001644464661 1195110581 /nfs/dbraw/zinc/11/05/81/1195110581.db2.gz UQXUPSQPRQKBDC-INIZCTEOSA-N 1 1 306.450 3.403 20 10 DGCDMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2O)cc1Cl ZINC001644813797 1195135745 /nfs/dbraw/zinc/13/57/45/1195135745.db2.gz VDTMYUIHRUXPFT-UHFFFAOYSA-N 1 1 319.788 3.464 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCN(C)[C@H](Cc3ccccc3)C2)cc1 ZINC001645534802 1195192188 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Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001652177062 1195557241 /nfs/dbraw/zinc/55/72/41/1195557241.db2.gz OISZTHIDOBRXBG-CYBMUJFWSA-N 1 1 319.836 3.234 20 10 DGCDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001652220490 1195564180 /nfs/dbraw/zinc/56/41/80/1195564180.db2.gz CBOUIUCJUHEKFY-BFQNTYOBSA-N 1 1 312.404 3.012 20 10 DGCDMO COC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2O)c1Cl ZINC001653611507 1195738508 /nfs/dbraw/zinc/73/85/08/1195738508.db2.gz HVUXTBOVVSOVMC-UHFFFAOYSA-N 1 1 319.788 3.464 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC001654203711 1195784274 /nfs/dbraw/zinc/78/42/74/1195784274.db2.gz MGZDEQVTNBYYIY-QGZVFWFLSA-N 1 1 318.461 3.367 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC001654203711 1195784280 /nfs/dbraw/zinc/78/42/80/1195784280.db2.gz MGZDEQVTNBYYIY-QGZVFWFLSA-N 1 1 318.461 3.367 20 10 DGCDMO CCO[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C12CCCC2 ZINC001655737096 1195958120 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OGRFWSGNYOTUFI-LSDHHAIUSA-N 1 1 304.478 3.497 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2[O-])CC[C@@H]1C[NH3+] ZINC001205638467 1091292061 /nfs/dbraw/zinc/29/20/61/1091292061.db2.gz OGRFWSGNYOTUFI-LSDHHAIUSA-N 1 1 304.478 3.497 20 10 DGCDMO COc1ccc(N2CC[NH+](Cc3ncccc3C)CC2)c(C)c1 ZINC001205813823 1091361283 /nfs/dbraw/zinc/36/12/83/1091361283.db2.gz KEKUGULQRQJMAQ-UHFFFAOYSA-N 1 1 311.429 3.029 20 10 DGCDMO C[N@H+]1CCN(Cc2ccc(Cl)cc2O)c2ccccc2C1 ZINC001205959853 1091428840 /nfs/dbraw/zinc/42/88/40/1091428840.db2.gz ICSYKHGVLORYGI-UHFFFAOYSA-N 1 1 302.805 3.498 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])CCC[C@@H]1C[NH3+] ZINC001206024568 1091455309 /nfs/dbraw/zinc/45/53/09/1091455309.db2.gz KDUTZMSWQOLZGU-VXGBXAGGSA-N 1 1 316.367 3.218 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2[O-])CCC[C@@H]1C[NH3+] ZINC001206023165 1091455488 /nfs/dbraw/zinc/45/54/88/1091455488.db2.gz DKNXQFRCVIZMCF-HUUCEWRRSA-N 1 1 304.478 3.497 20 10 DGCDMO 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DGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H]2N(C)C(=O)OC(C)(C)C)c1O ZINC001140184404 1091795437 /nfs/dbraw/zinc/79/54/37/1091795437.db2.gz SDAZCHGCULCTLZ-HNNXBMFYSA-N 1 1 320.433 3.408 20 10 DGCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@H]2N(C)C(=O)OC(C)(C)C)c1O ZINC001140184404 1091795438 /nfs/dbraw/zinc/79/54/38/1091795438.db2.gz SDAZCHGCULCTLZ-HNNXBMFYSA-N 1 1 320.433 3.408 20 10 DGCDMO OC[C@H]([NH2+]Cc1cc(F)c(F)cc1O)c1ccc(Cl)cc1 ZINC001206992428 1091814448 /nfs/dbraw/zinc/81/44/48/1091814448.db2.gz VASLIPARXHRCDH-AWEZNQCLSA-N 1 1 313.731 3.147 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@H](C(F)F)C3)cc2)CC1 ZINC001140285799 1091817412 /nfs/dbraw/zinc/81/74/12/1091817412.db2.gz QVZAOMMOIADFDZ-HNNXBMFYSA-N 1 1 324.415 3.125 20 10 DGCDMO O=C([C@H]1CCCC[N@@H+]1Cc1c(O)cccc1Cl)N1CCCC1 ZINC001140345613 1091836428 /nfs/dbraw/zinc/83/64/28/1091836428.db2.gz WXEOPXAIWDLZOR-OAHLLOKOSA-N 1 1 322.836 3.023 20 10 DGCDMO CC(C)CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464524 1091876202 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1111472738 /nfs/dbraw/zinc/47/27/38/1111472738.db2.gz NCRQULDYDCGPTG-GFCCVEGCSA-N 1 1 300.805 3.101 20 10 DGCDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1cc(Cl)c(F)cc1O ZINC001308766613 1111472740 /nfs/dbraw/zinc/47/27/40/1111472740.db2.gz NCRQULDYDCGPTG-GFCCVEGCSA-N 1 1 300.805 3.101 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC001308847468 1111483609 /nfs/dbraw/zinc/48/36/09/1111483609.db2.gz DDXCYCKMCOBLJA-DYVFJYSZSA-N 1 1 320.339 3.075 20 10 DGCDMO CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001308920128 1111493274 /nfs/dbraw/zinc/49/32/74/1111493274.db2.gz ZWKMLGMQTHXQRB-VQTJNVASSA-N 1 1 315.505 3.353 20 10 DGCDMO CC[C@H]([NH2+]Cc1cc(F)c(F)cc1O)[C@H](O)c1ccccc1 ZINC001308931838 1111495958 /nfs/dbraw/zinc/49/59/58/1111495958.db2.gz VQIDDMLZZZFJHG-DOTOQJQBSA-N 1 1 307.340 3.272 20 10 DGCDMO COCCOCC[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC000179583676 432063916 /nfs/dbraw/zinc/06/39/16/432063916.db2.gz KSBDQXJYYVVPQP-UHFFFAOYSA-N 1 1 315.413 3.057 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000091931305 193128128 /nfs/dbraw/zinc/12/81/28/193128128.db2.gz CFXAKEDEJOSODH-UHFFFAOYSA-N 1 1 308.809 3.415 20 10 DGCDMO COc1cccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)c1O ZINC000092975297 193191964 /nfs/dbraw/zinc/19/19/64/193191964.db2.gz BQJAJUDHADREQS-KRWDZBQOSA-N 1 1 317.360 3.113 20 10 DGCDMO COc1cccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)c1O ZINC000092975297 193191965 /nfs/dbraw/zinc/19/19/65/193191965.db2.gz BQJAJUDHADREQS-KRWDZBQOSA-N 1 1 317.360 3.113 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000273049016 130085077 /nfs/dbraw/zinc/08/50/77/130085077.db2.gz JZDIGYHKSYAKJN-SJORKVTESA-N 1 1 323.820 3.295 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1O ZINC000273049013 130085083 /nfs/dbraw/zinc/08/50/83/130085083.db2.gz JZDIGYHKSYAKJN-DLBZAZTESA-N 1 1 323.820 3.295 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCCOC(C)C)c1 ZINC000273395261 130116244 /nfs/dbraw/zinc/11/62/44/130116244.db2.gz FILWDUWNESKRKW-CYBMUJFWSA-N 1 1 309.406 3.035 20 10 DGCDMO C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc(Br)ccc1[O-] ZINC000273555434 130136498 /nfs/dbraw/zinc/13/64/98/130136498.db2.gz GURBNJHNYRYZBD-LLVKDONJSA-N 1 1 315.255 3.147 20 10 DGCDMO C[C@H]([NH2+]CCCC[NH+](C)C)c1cc(Br)ccc1[O-] ZINC000273555439 130137146 /nfs/dbraw/zinc/13/71/46/130137146.db2.gz GURBNJHNYRYZBD-NSHDSACASA-N 1 1 315.255 3.147 20 10 DGCDMO C[C@@H](NCc1nccn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273577873 130139938 /nfs/dbraw/zinc/13/99/38/130139938.db2.gz MBKCIQGEDYOVHM-MRVPVSSYSA-N 1 1 300.189 3.283 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+](C)C2CCC(OC)CC2)c1O ZINC000273805549 130170678 /nfs/dbraw/zinc/17/06/78/130170678.db2.gz XVRSSZKSRIHMQD-UHFFFAOYSA-N 1 1 313.825 3.444 20 10 DGCDMO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000275300869 130302949 /nfs/dbraw/zinc/30/29/49/130302949.db2.gz QLWUCNARZNWHGD-FPTDNZKUSA-N 1 1 317.454 3.258 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1O ZINC000284430449 131079666 /nfs/dbraw/zinc/07/96/66/131079666.db2.gz RWYCBWDTIJBEHR-OCCSQVGLSA-N 1 1 316.228 3.417 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1O ZINC000284927537 131123945 /nfs/dbraw/zinc/12/39/45/131123945.db2.gz GTQSVGNZBHWHMR-UONOGXRCSA-N 1 1 311.809 3.198 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(F)cc1O ZINC000286299441 131229175 /nfs/dbraw/zinc/22/91/75/131229175.db2.gz WPLBYIHJPAHRTI-YOEHRIQHSA-N 1 1 303.377 3.348 20 10 DGCDMO COCC(C)(C)CCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000287257470 131271282 /nfs/dbraw/zinc/27/12/82/131271282.db2.gz ZXQICRBHBMZOAE-CYBMUJFWSA-N 1 1 323.433 3.282 20 10 DGCDMO Cc1cc(C[N@H+]2CCSC3(CCOCC3)C2)ccc1N(C)C ZINC000294583012 131846118 /nfs/dbraw/zinc/84/61/18/131846118.db2.gz MSTVYBAZZZEAEU-UHFFFAOYSA-N 1 1 320.502 3.159 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000091957517 400141930 /nfs/dbraw/zinc/14/19/30/400141930.db2.gz CWHZSMZKBOQJGL-MSOLQXFVSA-N 1 1 314.429 3.434 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000091958847 400143065 /nfs/dbraw/zinc/14/30/65/400143065.db2.gz UMKXDXHEYUTGEC-RDJZCZTQSA-N 1 1 301.386 3.382 20 10 DGCDMO COCCCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000112641131 431292110 /nfs/dbraw/zinc/29/21/10/431292110.db2.gz NLIXLXYNYRCAOB-KRWDZBQOSA-N 1 1 307.434 3.190 20 10 DGCDMO CN(CCC[N@H+](C)Cc1ccccc1O)Cc1ccccc1O ZINC000077284302 431581869 /nfs/dbraw/zinc/58/18/69/431581869.db2.gz CPEVUSCRQYVXCK-UHFFFAOYSA-N 1 1 314.429 3.052 20 10 DGCDMO CN(CCC[N@@H+](C)Cc1ccccc1O)Cc1ccccc1O ZINC000077284302 431581877 /nfs/dbraw/zinc/58/18/77/431581877.db2.gz CPEVUSCRQYVXCK-UHFFFAOYSA-N 1 1 314.429 3.052 20 10 DGCDMO Oc1ccc2ccccc2c1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093611681 431916259 /nfs/dbraw/zinc/91/62/59/431916259.db2.gz XDJZKMZLQSNQFT-HNNXBMFYSA-N 1 1 311.303 3.045 20 10 DGCDMO CCOC[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000093838581 431917014 /nfs/dbraw/zinc/91/70/14/431917014.db2.gz RTMICBHYVJAWLB-NSHDSACASA-N 1 1 314.223 3.013 20 10 DGCDMO COc1cccc(C[N@H+]2CCCC[C@@H]2c2cccn2C)c1O ZINC000093845473 431918496 /nfs/dbraw/zinc/91/84/96/431918496.db2.gz ZHYGBIJADGSJIG-MRXNPFEDSA-N 1 1 300.402 3.467 20 10 DGCDMO CCN(CCCn1cc[nH+]c1C)c1ccc(OC)c(OC)c1 ZINC000270654815 432272063 /nfs/dbraw/zinc/27/20/63/432272063.db2.gz PMBHTBDUBGONMT-UHFFFAOYSA-N 1 1 303.406 3.125 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000183376161 432288384 /nfs/dbraw/zinc/28/83/84/432288384.db2.gz PHEOXDHODMJWLC-UHFFFAOYSA-N 1 1 300.402 3.099 20 10 DGCDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000271052369 432323099 /nfs/dbraw/zinc/32/30/99/432323099.db2.gz WXGVUAAPHNVGAQ-SFHVURJKSA-N 1 1 324.424 3.112 20 10 DGCDMO C[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)Cc1ccccc1O ZINC000271120242 432332445 /nfs/dbraw/zinc/33/24/45/432332445.db2.gz HGBHQNNTGGXGCZ-HNNXBMFYSA-N 1 1 304.415 3.332 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000152430631 432332764 /nfs/dbraw/zinc/33/27/64/432332764.db2.gz YDUAXUQRACYFKK-HNAYVOBHSA-N 1 1 301.478 3.278 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1n1ccnc1 ZINC000271265736 432365178 /nfs/dbraw/zinc/36/51/78/432365178.db2.gz LTOQGRRFMNFXFV-RDTXWAMCSA-N 1 1 316.424 3.171 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000185468370 432504359 /nfs/dbraw/zinc/50/43/59/432504359.db2.gz KZDQPTDBDSDKBH-RLFDGXBXSA-N 1 1 307.340 3.443 20 10 DGCDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000185582755 432513779 /nfs/dbraw/zinc/51/37/79/432513779.db2.gz UPKYNXXVGJZPMS-ZDUSSCGKSA-N 1 1 309.381 3.085 20 10 DGCDMO CC(C)[NH+]1CCC(NCc2ccc3c(c2)CCCN3C)CC1 ZINC000236603702 432749904 /nfs/dbraw/zinc/74/99/04/432749904.db2.gz KKSPJXJZTOXUMX-UHFFFAOYSA-N 1 1 301.478 3.031 20 10 DGCDMO CC(C)N1CCC([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC000236603702 432749909 /nfs/dbraw/zinc/74/99/09/432749909.db2.gz KKSPJXJZTOXUMX-UHFFFAOYSA-N 1 1 301.478 3.031 20 10 DGCDMO CCCCN1CCC([NH2+]Cc2cccc(OCC)c2O)CC1 ZINC000236760128 432763581 /nfs/dbraw/zinc/76/35/81/432763581.db2.gz MJOZTKFSYULSCF-UHFFFAOYSA-N 1 1 306.450 3.145 20 10 DGCDMO CCCC[NH+]1CCC(NCc2cccc(OCC)c2O)CC1 ZINC000236760128 432763586 /nfs/dbraw/zinc/76/35/86/432763586.db2.gz MJOZTKFSYULSCF-UHFFFAOYSA-N 1 1 306.450 3.145 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C[C@@H](O)CC(F)(F)F)C2CC2)cc1 ZINC000276342229 432799971 /nfs/dbraw/zinc/79/99/71/432799971.db2.gz ISSXDCNVADDIAG-HNNXBMFYSA-N 1 1 316.367 3.030 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCC[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000278240744 432889551 /nfs/dbraw/zinc/88/95/51/432889551.db2.gz NUADWDQMXDEXNV-DGCLKSJQSA-N 1 1 306.362 3.074 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCC[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000278240744 432889554 /nfs/dbraw/zinc/88/95/54/432889554.db2.gz NUADWDQMXDEXNV-DGCLKSJQSA-N 1 1 306.362 3.074 20 10 DGCDMO C[C@@H]([NH2+]CCc1cnn(C)c1)c1cc(Cl)c(Cl)cc1O ZINC000278220479 432889904 /nfs/dbraw/zinc/88/99/04/432889904.db2.gz IWWANVVHRCHFGT-SECBINFHSA-N 1 1 314.216 3.326 20 10 DGCDMO COc1c(O)c(C[N@H+]([C@@H](C)C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000278284122 432890487 /nfs/dbraw/zinc/89/04/87/432890487.db2.gz UAQZPNJTXPADLX-JTQLQIEISA-N 1 1 306.362 3.072 20 10 DGCDMO COc1c(O)c(C[N@@H+]([C@@H](C)C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000278284122 432890488 /nfs/dbraw/zinc/89/04/88/432890488.db2.gz UAQZPNJTXPADLX-JTQLQIEISA-N 1 1 306.362 3.072 20 10 DGCDMO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000278436449 432895074 /nfs/dbraw/zinc/89/50/74/432895074.db2.gz UZMCAWBXYGGHOU-HIFRSBDPSA-N 1 1 320.433 3.046 20 10 DGCDMO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000278436450 432895192 /nfs/dbraw/zinc/89/51/92/432895192.db2.gz UZMCAWBXYGGHOU-UKRRQHHQSA-N 1 1 320.433 3.046 20 10 DGCDMO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)[nH]1 ZINC000277458752 432851969 /nfs/dbraw/zinc/85/19/69/432851969.db2.gz QBZNKBCFLKRHBP-RYUDHWBXSA-N 1 1 300.406 3.104 20 10 DGCDMO CC[N@@H+](Cc1cnc([C@H](C)O)s1)Cc1ccc(N(C)C)cc1 ZINC000278989739 432924271 /nfs/dbraw/zinc/92/42/71/432924271.db2.gz QFFMXEUGDSECKF-ZDUSSCGKSA-N 1 1 319.474 3.285 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCSC(C)(C)CC2)cc1OC ZINC000278797180 432901395 /nfs/dbraw/zinc/90/13/95/432901395.db2.gz PLPCVEZVNHCAJP-UHFFFAOYSA-N 1 1 311.447 3.127 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1O ZINC000296402549 432904808 /nfs/dbraw/zinc/90/48/08/432904808.db2.gz UUSDDFDLEDMGQK-APHBMKBZSA-N 1 1 323.820 3.151 20 10 DGCDMO CCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)s1 ZINC000278900862 432914932 /nfs/dbraw/zinc/91/49/32/432914932.db2.gz QZTISZQMYQTSOR-UHFFFAOYSA-N 1 1 322.386 3.223 20 10 DGCDMO CCCC[N@H+](Cc1cn(C(C)C)nn1)Cc1ccccc1O ZINC000289840408 432977417 /nfs/dbraw/zinc/97/74/17/432977417.db2.gz UUFGRNGCOJXIFQ-UHFFFAOYSA-N 1 1 302.422 3.367 20 10 DGCDMO CCCC[N@@H+](Cc1cn(C(C)C)nn1)Cc1ccccc1O ZINC000289840408 432977423 /nfs/dbraw/zinc/97/74/23/432977423.db2.gz UUFGRNGCOJXIFQ-UHFFFAOYSA-N 1 1 302.422 3.367 20 10 DGCDMO CC[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(F)cc1O ZINC000297267833 432983584 /nfs/dbraw/zinc/98/35/84/432983584.db2.gz KLXZQGYEZWSZHA-WBVHZDCISA-N 1 1 321.367 3.315 20 10 DGCDMO CC[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1ccc(F)cc1O ZINC000290243984 433019983 /nfs/dbraw/zinc/01/99/83/433019983.db2.gz JIZUDAIZFAKBNX-RLFYNMQTSA-N 1 1 317.360 3.067 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)c1O ZINC000280487450 433059456 /nfs/dbraw/zinc/05/94/56/433059456.db2.gz ONCJRFICLFRQMY-RISCZKNCSA-N 1 1 313.825 3.180 20 10 DGCDMO COc1cccc(CNC[C@H]2CCC[N@@H+]2C2CCCCC2)c1O ZINC000280544928 433082228 /nfs/dbraw/zinc/08/22/28/433082228.db2.gz DGHGLILZMAXPCV-QGZVFWFLSA-N 1 1 318.461 3.288 20 10 DGCDMO COc1cccc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)c1O ZINC000280544928 433082240 /nfs/dbraw/zinc/08/22/40/433082240.db2.gz DGHGLILZMAXPCV-QGZVFWFLSA-N 1 1 318.461 3.288 20 10 DGCDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000290536019 433084888 /nfs/dbraw/zinc/08/48/88/433084888.db2.gz 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QEOZLTWSKRPIIB-KBXCAEBGSA-N 1 1 323.433 3.045 20 10 DGCDMO COc1ccc(C[N@@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c(O)c1OC ZINC000892203089 617983712 /nfs/dbraw/zinc/98/37/12/617983712.db2.gz QEOZLTWSKRPIIB-KDOFPFPSSA-N 1 1 323.433 3.045 20 10 DGCDMO CC(C)[N@H+](Cc1nnc(C2CC2)o1)Cc1ccc(N(C)C)cc1 ZINC000920206522 620789760 /nfs/dbraw/zinc/78/97/60/620789760.db2.gz LWMYPYBMPXQJGX-UHFFFAOYSA-N 1 1 314.433 3.424 20 10 DGCDMO CC(C)[N@@H+](Cc1nnc(C2CC2)o1)Cc1ccc(N(C)C)cc1 ZINC000920206522 620789765 /nfs/dbraw/zinc/78/97/65/620789765.db2.gz LWMYPYBMPXQJGX-UHFFFAOYSA-N 1 1 314.433 3.424 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1O ZINC000894748837 618443555 /nfs/dbraw/zinc/44/35/55/618443555.db2.gz XPNBCCMUQLZRHT-GDBMZVCRSA-N 1 1 307.434 3.225 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894939894 618502173 /nfs/dbraw/zinc/50/21/73/618502173.db2.gz ORJLYBYGXOGWGT-XIHRNRATSA-N 1 1 315.505 3.207 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000894939894 618502175 /nfs/dbraw/zinc/50/21/75/618502175.db2.gz ORJLYBYGXOGWGT-XIHRNRATSA-N 1 1 315.505 3.207 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000895280110 618586966 /nfs/dbraw/zinc/58/69/66/618586966.db2.gz OIITXRSWGKPHJV-INIZCTEOSA-N 1 1 311.372 3.452 20 10 DGCDMO Cc1noc2ncc(C[N@H+](C)Cc3ccc(N(C)C)cc3)cc12 ZINC000893864257 618667975 /nfs/dbraw/zinc/66/79/75/618667975.db2.gz VWMOCZINMLCJTF-UHFFFAOYSA-N 1 1 310.401 3.229 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2cc(C)cc(OC)c2O)ccc1O ZINC000893920615 618676019 /nfs/dbraw/zinc/67/60/19/618676019.db2.gz UUXKJVAAMGXMNJ-UHFFFAOYSA-N 1 1 317.385 3.055 20 10 DGCDMO Cc1ccnc(N)c1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000893948329 618681999 /nfs/dbraw/zinc/68/19/99/618681999.db2.gz TWONGJUAVZNECL-UHFFFAOYSA-N 1 1 312.461 3.449 20 10 DGCDMO CCN1CC[C@@H]([N@H+](C)Cc2cc(C)cc(OC)c2O)C[C@@H]1C ZINC000894044003 618698485 /nfs/dbraw/zinc/69/84/85/618698485.db2.gz HPYDSVDCAQGCFT-GOEBONIOSA-N 1 1 306.450 3.014 20 10 DGCDMO CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(OC)c2O)C[C@@H]1C ZINC000894044003 618698487 /nfs/dbraw/zinc/69/84/87/618698487.db2.gz HPYDSVDCAQGCFT-GOEBONIOSA-N 1 1 306.450 3.014 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(O)c1OC ZINC000894140236 618718979 /nfs/dbraw/zinc/71/89/79/618718979.db2.gz BAHIXMHHTCAAGH-KOLCDFICSA-N 1 1 319.323 3.182 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000895391987 618778169 /nfs/dbraw/zinc/77/81/69/618778169.db2.gz IVDIPFVNSHMUPB-GOSISDBHSA-N 1 1 319.351 3.154 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000895391987 618778171 /nfs/dbraw/zinc/77/81/71/618778171.db2.gz IVDIPFVNSHMUPB-GOSISDBHSA-N 1 1 319.351 3.154 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000895422800 618783517 /nfs/dbraw/zinc/78/35/17/618783517.db2.gz OITWFUTZIWQABA-WBVHZDCISA-N 1 1 319.351 3.368 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000895422800 618783518 /nfs/dbraw/zinc/78/35/18/618783518.db2.gz OITWFUTZIWQABA-WBVHZDCISA-N 1 1 319.351 3.368 20 10 DGCDMO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000895577755 618801325 /nfs/dbraw/zinc/80/13/25/618801325.db2.gz SNJLFLYMJVRDMZ-GFCCVEGCSA-N 1 1 309.715 3.199 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@H](C)CC2)c1 ZINC000896586665 618931191 /nfs/dbraw/zinc/93/11/91/618931191.db2.gz ZWKXTQSSABWBED-LLVKDONJSA-N 1 1 314.223 3.074 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@H](C)CC2)c1 ZINC000896586665 618931194 /nfs/dbraw/zinc/93/11/94/618931194.db2.gz ZWKXTQSSABWBED-LLVKDONJSA-N 1 1 314.223 3.074 20 10 DGCDMO Cc1cc(O)c(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1Cl ZINC000896596901 618932894 /nfs/dbraw/zinc/93/28/94/618932894.db2.gz LFRVAKTUHXNHFA-OAHLLOKOSA-N 1 1 303.793 3.385 20 10 DGCDMO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1c(O)cccc1F ZINC000896637521 618939820 /nfs/dbraw/zinc/93/98/20/618939820.db2.gz JWFKQHJDGUWZIG-BIBXISHDSA-N 1 1 303.314 3.344 20 10 DGCDMO COc1ccc(C[C@H](C)[NH2+]Cc2c(O)cccc2F)cc1OC ZINC000896638571 618939861 /nfs/dbraw/zinc/93/98/61/618939861.db2.gz VTWRPAMIGRBBTA-LBPRGKRZSA-N 1 1 319.376 3.269 20 10 DGCDMO Cn1nc(C2CC2)cc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000897223945 619032188 /nfs/dbraw/zinc/03/21/88/619032188.db2.gz BZODVURWODZMBK-UHFFFAOYSA-N 1 1 309.772 3.085 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000897270026 619040078 /nfs/dbraw/zinc/04/00/78/619040078.db2.gz VRDMXLDCIFGXAA-INIZCTEOSA-N 1 1 319.445 3.430 20 10 DGCDMO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000786574836 619164299 /nfs/dbraw/zinc/16/42/99/619164299.db2.gz GQQRLOJFGBESKX-YIZRAAEISA-N 1 1 320.202 3.368 20 10 DGCDMO COc1cc(C)cc(C[NH2+]Cc2nc(C(C)(C)C)co2)c1O ZINC000897941724 619197367 /nfs/dbraw/zinc/19/73/67/619197367.db2.gz DUWXCRSEGJELBY-UHFFFAOYSA-N 1 1 304.390 3.285 20 10 DGCDMO CCOc1cccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c1O ZINC000898070964 619212261 /nfs/dbraw/zinc/21/22/61/619212261.db2.gz CGNPDCDIEWJELL-CYBMUJFWSA-N 1 1 318.442 3.312 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2Cc3ncccc3N3CCC[C@H]3C2)c1 ZINC000898168212 619220232 /nfs/dbraw/zinc/22/02/32/619220232.db2.gz XCRPCFMYMARIGX-INIZCTEOSA-N 1 1 309.413 3.080 20 10 DGCDMO COc1cccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000898516211 619283074 /nfs/dbraw/zinc/28/30/74/619283074.db2.gz NZAZILZDBKMSMR-ZBFHGGJFSA-N 1 1 305.418 3.039 20 10 DGCDMO CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901053843 619469761 /nfs/dbraw/zinc/46/97/61/619469761.db2.gz SOZJXUBMOCUUMN-IAGOWNOFSA-N 1 1 316.445 3.148 20 10 DGCDMO C[N@@H+](Cc1cccc(=O)[nH]1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000902562427 619651961 /nfs/dbraw/zinc/65/19/61/619651961.db2.gz NECYEERDZBOLAF-UHFFFAOYSA-N 1 1 316.401 3.128 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C2OCCO2)cc1C(C)C ZINC000902623166 619659029 /nfs/dbraw/zinc/65/90/29/619659029.db2.gz VEOBVPXRHDTXOA-INIZCTEOSA-N 1 1 305.418 3.161 20 10 DGCDMO CCCn1cc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)nn1 ZINC000902742423 619668816 /nfs/dbraw/zinc/66/88/16/619668816.db2.gz PSMRSRCEOTUPFM-HNNXBMFYSA-N 1 1 313.449 3.139 20 10 DGCDMO C[C@@H]1C[C@H](NCc2cc(N(C)C)cc[nH+]2)c2c1c(F)ccc2O ZINC000903198069 619735079 /nfs/dbraw/zinc/73/50/79/619735079.db2.gz FDUZDJNGASSORG-ABAIWWIYSA-N 1 1 315.392 3.330 20 10 DGCDMO C[C@@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1c(O)cccc1F ZINC000903310562 619757280 /nfs/dbraw/zinc/75/72/80/619757280.db2.gz ZJHORLBYZAUXGK-DIFFPNOSSA-N 1 1 307.340 3.229 20 10 DGCDMO C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1c(O)cccc1F ZINC000903310564 619757528 /nfs/dbraw/zinc/75/75/28/619757528.db2.gz ZJHORLBYZAUXGK-PIGZYNQJSA-N 1 1 307.340 3.229 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ccc(CCO)cc1)c1ccc(F)cc1O ZINC000903404212 619770917 /nfs/dbraw/zinc/77/09/17/619770917.db2.gz YEUZLQMKIJPHNQ-QGZVFWFLSA-N 1 1 303.377 3.307 20 10 DGCDMO C[C@H]([NH2+]CCOC1CCSCC1)c1cc(F)cc(F)c1O ZINC000903444810 619777887 /nfs/dbraw/zinc/77/78/87/619777887.db2.gz CLCSNKCWYMWOQS-JTQLQIEISA-N 1 1 317.401 3.233 20 10 DGCDMO C[C@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1nccs1 ZINC000903447737 619778237 /nfs/dbraw/zinc/77/82/37/619778237.db2.gz BUDQXFCOXAWCEH-XJKSGUPXSA-N 1 1 318.490 3.163 20 10 DGCDMO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccns1 ZINC000903447674 619778346 /nfs/dbraw/zinc/77/83/46/619778346.db2.gz AUVHPNSFYRKLGF-BBRMVZONSA-N 1 1 318.490 3.163 20 10 DGCDMO Cc1ccc(C[NH+]2CCOCC2)cc1NCc1ccccc1O ZINC000151150877 620425197 /nfs/dbraw/zinc/42/51/97/620425197.db2.gz XSJCSXSJEVTYEN-UHFFFAOYSA-N 1 1 312.413 3.145 20 10 DGCDMO C[C@@H]([NH2+]Cc1nncn1C)c1ccc(N2CCCCCC2)cc1 ZINC000152332439 620501815 /nfs/dbraw/zinc/50/18/15/620501815.db2.gz IXHRFYQLSOHQJD-OAHLLOKOSA-N 1 1 313.449 3.046 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cn(C)nc2Cl)cc1F ZINC000856768749 621018331 /nfs/dbraw/zinc/01/83/31/621018331.db2.gz BDKKLMWPJRCHRX-UHFFFAOYSA-N 1 1 324.831 3.349 20 10 DGCDMO COc1cccc(O)c1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000922700662 621085247 /nfs/dbraw/zinc/08/52/47/621085247.db2.gz QCCBOGTTXRGRIO-UHFFFAOYSA-N 1 1 304.415 3.026 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000922895690 621125380 /nfs/dbraw/zinc/12/53/80/621125380.db2.gz GEHDRYDLITXXTB-BZNIZROVSA-N 1 1 313.800 3.480 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cc(F)cc(F)c1O ZINC000756477262 621126097 /nfs/dbraw/zinc/12/60/97/621126097.db2.gz XDSFEVWLQLDOCG-PSLIRLAXSA-N 1 1 311.303 3.194 20 10 DGCDMO CCc1cccc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)c1O ZINC000857878005 621127077 /nfs/dbraw/zinc/12/70/77/621127077.db2.gz RKYLNMVUUMSUEE-UHFFFAOYSA-N 1 1 311.429 3.426 20 10 DGCDMO COc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)c(C)c1OC ZINC000922966129 621138547 /nfs/dbraw/zinc/13/85/47/621138547.db2.gz GXCRWISMJPIXKT-UHFFFAOYSA-N 1 1 323.339 3.286 20 10 DGCDMO C[N@@H+]1CC[C@H](NCc2ccc(N3CCCC3)cc2)CC1(C)C ZINC000858094767 621151784 /nfs/dbraw/zinc/15/17/84/621151784.db2.gz RVDKFTJZHQNULA-KRWDZBQOSA-N 1 1 301.478 3.249 20 10 DGCDMO C[N@H+]1CC[C@H](NCc2ccc(N3CCCC3)cc2)CC1(C)C ZINC000858094767 621151786 /nfs/dbraw/zinc/15/17/86/621151786.db2.gz RVDKFTJZHQNULA-KRWDZBQOSA-N 1 1 301.478 3.249 20 10 DGCDMO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1(C)C ZINC000858094767 621151790 /nfs/dbraw/zinc/15/17/90/621151790.db2.gz RVDKFTJZHQNULA-KRWDZBQOSA-N 1 1 301.478 3.249 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1cncc(F)c1 ZINC000858176219 621161555 /nfs/dbraw/zinc/16/15/55/621161555.db2.gz PYBFYVLGULEZFK-JTQLQIEISA-N 1 1 309.335 3.416 20 10 DGCDMO CN(C)c1cc(F)c(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000858185929 621162606 /nfs/dbraw/zinc/16/26/06/621162606.db2.gz KGQFVGNTADDWDV-IRXDYDNUSA-N 1 1 323.431 3.137 20 10 DGCDMO CN(C)c1cc(F)c(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC000858185929 621162607 /nfs/dbraw/zinc/16/26/07/621162607.db2.gz KGQFVGNTADDWDV-IRXDYDNUSA-N 1 1 323.431 3.137 20 10 DGCDMO COc1ccc(F)c(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858196821 621163645 /nfs/dbraw/zinc/16/36/45/621163645.db2.gz ZHASXATWPMNTTR-UHFFFAOYSA-N 1 1 324.346 3.468 20 10 DGCDMO CCC[C@H](C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)OCC ZINC000858450693 621192856 /nfs/dbraw/zinc/19/28/56/621192856.db2.gz HOISJGDTOXDDGY-TZMCWYRMSA-N 1 1 309.406 3.035 20 10 DGCDMO COC(=O)CCCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000859081788 621246869 /nfs/dbraw/zinc/24/68/69/621246869.db2.gz KAQPJTVYEHZQMO-UHFFFAOYSA-N 1 1 304.434 3.060 20 10 DGCDMO CCO[C@H](C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000859191132 621258731 /nfs/dbraw/zinc/25/87/31/621258731.db2.gz WQKXZRNMAFJBKC-IEBWSBKVSA-N 1 1 319.445 3.188 20 10 DGCDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000839187952 621345892 /nfs/dbraw/zinc/34/58/92/621345892.db2.gz RXMIEUDEJBLFEZ-GFCCVEGCSA-N 1 1 317.360 3.323 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000839193836 621347524 /nfs/dbraw/zinc/34/75/24/621347524.db2.gz WJDMFVNOHUPZCU-ZDUSSCGKSA-N 1 1 323.433 3.201 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000839193835 621347642 /nfs/dbraw/zinc/34/76/42/621347642.db2.gz WJDMFVNOHUPZCU-CYBMUJFWSA-N 1 1 323.433 3.201 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000839192792 621347820 /nfs/dbraw/zinc/34/78/20/621347820.db2.gz PLWVBIAYOWRBHJ-DOTOQJQBSA-N 1 1 309.837 3.419 20 10 DGCDMO COc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c(C(C)(C)C)c1 ZINC000754736424 621529547 /nfs/dbraw/zinc/52/95/47/621529547.db2.gz KGTQIVBBAKTTKU-OKILXGFUSA-N 1 1 305.418 3.062 20 10 DGCDMO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c(C(C)(C)C)c1 ZINC000754736424 621529550 /nfs/dbraw/zinc/52/95/50/621529550.db2.gz KGTQIVBBAKTTKU-OKILXGFUSA-N 1 1 305.418 3.062 20 10 DGCDMO Cc1cnc(CC[N@H+](C)Cc2c(O)ccc3ccncc32)s1 ZINC000754794787 621533369 /nfs/dbraw/zinc/53/33/69/621533369.db2.gz QSMPEFNWLGWRDK-UHFFFAOYSA-N 1 1 313.426 3.380 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1F ZINC000862248053 621567323 /nfs/dbraw/zinc/56/73/23/621567323.db2.gz GRGRBAZQVOIUQA-GOSISDBHSA-N 1 1 324.415 3.423 20 10 DGCDMO C[C@@H]1CSCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862344478 621576555 /nfs/dbraw/zinc/57/65/55/621576555.db2.gz SYEDZCKOWORPNL-NSHDSACASA-N 1 1 300.418 3.216 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+](C)Cc2ccc(O)cc2)cc1F ZINC000862367278 621579561 /nfs/dbraw/zinc/57/95/61/621579561.db2.gz BRRKFBULWKTAMW-UHFFFAOYSA-N 1 1 306.356 3.368 20 10 DGCDMO CN(C)c1cc(F)c(C[N@@H+](C)Cc2ccc(O)cc2)cc1F ZINC000862367278 621579564 /nfs/dbraw/zinc/57/95/64/621579564.db2.gz BRRKFBULWKTAMW-UHFFFAOYSA-N 1 1 306.356 3.368 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H](O)CC(C)(C)C2)cc1F ZINC000862388013 621582936 /nfs/dbraw/zinc/58/29/36/621582936.db2.gz UFCMLBBNQCPDLB-ZDUSSCGKSA-N 1 1 312.404 3.014 20 10 DGCDMO Fc1cc(C[N@H+]2CCCC3(CC3)CC2)ccc1N1CCOCC1 ZINC000862539805 621598268 /nfs/dbraw/zinc/59/82/68/621598268.db2.gz VWNTWIMQWBFTLY-UHFFFAOYSA-N 1 1 318.436 3.428 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccc(F)cc1O ZINC000756340347 621629174 /nfs/dbraw/zinc/62/91/74/621629174.db2.gz DWWUSEKJJQTFQI-WMLDXEAASA-N 1 1 316.420 3.355 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(F)cc2)c1 ZINC000756339613 621629336 /nfs/dbraw/zinc/62/93/36/621629336.db2.gz DFGINXNJMKBTOT-LLVKDONJSA-N 1 1 303.333 3.169 20 10 DGCDMO C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756363663 621631442 /nfs/dbraw/zinc/63/14/42/621631442.db2.gz QCZQDTLRLTUVAM-KGLIPLIRSA-N 1 1 321.421 3.216 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc(F)cc(F)c1O ZINC000756455709 621639743 /nfs/dbraw/zinc/63/97/43/621639743.db2.gz ASAMIKGOIRVRID-BJOHPYRUSA-N 1 1 311.303 3.194 20 10 DGCDMO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1cc(F)cc(F)c1O ZINC000756462844 621640007 /nfs/dbraw/zinc/64/00/07/621640007.db2.gz YFZCRBXZPKGNTI-VIFPVBQESA-N 1 1 307.296 3.250 20 10 DGCDMO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756585326 621651094 /nfs/dbraw/zinc/65/10/94/621651094.db2.gz JNPLAAWIJWQUGM-BONVTDFDSA-N 1 1 301.365 3.358 20 10 DGCDMO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756586438 621651126 /nfs/dbraw/zinc/65/11/26/621651126.db2.gz RRWDAFSPYDYNGS-VFZGTOFNSA-N 1 1 319.355 3.497 20 10 DGCDMO CCO[C@@H](CC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)C(C)C ZINC000756629307 621654095 /nfs/dbraw/zinc/65/40/95/621654095.db2.gz PFVMLLKYOBTXKG-DYVFJYSZSA-N 1 1 323.433 3.281 20 10 DGCDMO CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)C1CCOCC1 ZINC000756628516 621654099 /nfs/dbraw/zinc/65/40/99/621654099.db2.gz NKSOGWOSFKRRDD-WBMJQRKESA-N 1 1 321.417 3.035 20 10 DGCDMO C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(F)cc(F)c1O ZINC000756703097 621659216 /nfs/dbraw/zinc/65/92/16/621659216.db2.gz FINVJJVOCOHRLK-JTQLQIEISA-N 1 1 321.323 3.292 20 10 DGCDMO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756735693 621661770 /nfs/dbraw/zinc/66/17/70/621661770.db2.gz GYTCIEMOMLXBQD-TVQRCGJNSA-N 1 1 313.369 3.425 20 10 DGCDMO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)C2 ZINC000756774580 621663731 /nfs/dbraw/zinc/66/37/31/621663731.db2.gz KBKWPFHDYNPMJO-RISCZKNCSA-N 1 1 317.360 3.194 20 10 DGCDMO C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cc(Br)c(F)cc1O ZINC000756820568 621666790 /nfs/dbraw/zinc/66/67/90/621666790.db2.gz YHHUJONALKALBM-HTQZYQBOSA-N 1 1 320.202 3.104 20 10 DGCDMO C[C@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1ccc(N(C)C)cc1 ZINC000839562890 621697211 /nfs/dbraw/zinc/69/72/11/621697211.db2.gz DXQCTMVMTMKKIS-ZDUSSCGKSA-N 1 1 322.412 3.252 20 10 DGCDMO C[NH+](C)CCc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000864029100 621729231 /nfs/dbraw/zinc/72/92/31/621729231.db2.gz YMRSMHJCLYEQAO-UHFFFAOYSA-N 1 1 306.356 3.387 20 10 DGCDMO COc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)ccn1 ZINC000757649530 621731093 /nfs/dbraw/zinc/73/10/93/621731093.db2.gz JDADRUFDJCRCMU-UHFFFAOYSA-N 1 1 311.429 3.321 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)Cc2cccnc2)c1 ZINC000757871021 621744421 /nfs/dbraw/zinc/74/44/21/621744421.db2.gz CMLPXMAJQZKFTJ-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)Cc2cccnc2)c1 ZINC000757871021 621744422 /nfs/dbraw/zinc/74/44/22/621744422.db2.gz CMLPXMAJQZKFTJ-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000757881356 621744699 /nfs/dbraw/zinc/74/46/99/621744699.db2.gz FYSHCGXJGOUGJF-QGZVFWFLSA-N 1 1 324.472 3.026 20 10 DGCDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000757881356 621744702 /nfs/dbraw/zinc/74/47/02/621744702.db2.gz FYSHCGXJGOUGJF-QGZVFWFLSA-N 1 1 324.472 3.026 20 10 DGCDMO C[NH+]1CCC2(CCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000789559848 625526257 /nfs/dbraw/zinc/52/62/57/625526257.db2.gz YMAHEPWESQVZEE-UHFFFAOYSA-N 1 1 312.816 3.245 20 10 DGCDMO Oc1cc2c(cc1C[NH2+][C@@H](CF)c1ccc(F)cc1)OCO2 ZINC000865822567 622001332 /nfs/dbraw/zinc/00/13/32/622001332.db2.gz KOQUNNLZPLQEBE-ZDUSSCGKSA-N 1 1 307.296 3.060 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)c2ccnn2C)c1 ZINC000865839432 622005683 /nfs/dbraw/zinc/00/56/83/622005683.db2.gz VZSXZPLKUJUKOT-SNVBAGLBSA-N 1 1 324.222 3.047 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(F)cc1O ZINC000866530998 622132720 /nfs/dbraw/zinc/13/27/20/622132720.db2.gz DAGZRMPQADCXHA-HOCLYGCPSA-N 1 1 323.408 3.158 20 10 DGCDMO Oc1ccccc1C[N@H+](C[C@@H](O)C(F)(F)F)C1CCCC1 ZINC000763834287 622164433 /nfs/dbraw/zinc/16/44/33/622164433.db2.gz LBNRBBXAJDHYLS-CQSZACIVSA-N 1 1 303.324 3.060 20 10 DGCDMO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000121606379 622166622 /nfs/dbraw/zinc/16/66/22/622166622.db2.gz YIJUOFWMPQTJRY-ZDUSSCGKSA-N 1 1 301.386 3.317 20 10 DGCDMO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000121606379 622166625 /nfs/dbraw/zinc/16/66/25/622166625.db2.gz YIJUOFWMPQTJRY-ZDUSSCGKSA-N 1 1 301.386 3.317 20 10 DGCDMO Oc1c(Br)cccc1CNc1cc[nH+]cc1Cl ZINC000764935438 622234038 /nfs/dbraw/zinc/23/40/38/622234038.db2.gz UEQYWCRGILEIBC-UHFFFAOYSA-N 1 1 313.582 3.237 20 10 DGCDMO C[C@H](NCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764949797 622235049 /nfs/dbraw/zinc/23/50/49/622235049.db2.gz NCRPNDZVCFRONX-BBWFWOEESA-N 1 1 303.494 3.381 20 10 DGCDMO C[C@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764949797 622235050 /nfs/dbraw/zinc/23/50/50/622235050.db2.gz NCRPNDZVCFRONX-BBWFWOEESA-N 1 1 303.494 3.381 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000789771020 625563134 /nfs/dbraw/zinc/56/31/34/625563134.db2.gz ZRCQZGANWQRQFI-CYBMUJFWSA-N 1 1 304.777 3.094 20 10 DGCDMO CCN(CC)c1ccc(CN(C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000767359217 622393135 /nfs/dbraw/zinc/39/31/35/622393135.db2.gz GEFXFXQZFIXNRD-GOSISDBHSA-N 1 1 303.494 3.449 20 10 DGCDMO CCN(CC)c1ccc(CN(C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000767359217 622393139 /nfs/dbraw/zinc/39/31/39/622393139.db2.gz GEFXFXQZFIXNRD-GOSISDBHSA-N 1 1 303.494 3.449 20 10 DGCDMO OCC[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC000768139157 622441509 /nfs/dbraw/zinc/44/15/09/622441509.db2.gz WSQLLLSGYPRFPM-UHFFFAOYSA-N 1 1 302.462 3.414 20 10 DGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2cccc(OC)c2)c1 ZINC000768162372 622442586 /nfs/dbraw/zinc/44/25/86/622442586.db2.gz CWMBKJZEOOMUJJ-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2c(O)cccc2OC)cc1OC ZINC000768170334 622443108 /nfs/dbraw/zinc/44/31/08/622443108.db2.gz OOYPIEADCLKLPF-UHFFFAOYSA-N 1 1 317.385 3.050 20 10 DGCDMO COc1cc(C[N@@H+](C)CCOc2ccc(F)cc2)c(O)cc1C ZINC000768441546 622456076 /nfs/dbraw/zinc/45/60/76/622456076.db2.gz JNTCNKYJJKTBFJ-UHFFFAOYSA-N 1 1 319.376 3.359 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccsc1)[C@H](O)CO2 ZINC000768439703 622456233 /nfs/dbraw/zinc/45/62/33/622456233.db2.gz MRXKUCYNPBEAKL-GOEBONIOSA-N 1 1 317.410 3.217 20 10 DGCDMO COc1cc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c(O)cc1C ZINC000768442377 622456356 /nfs/dbraw/zinc/45/63/56/622456356.db2.gz TZBNWBACFBFOGI-IBGZPJMESA-N 1 1 313.397 3.283 20 10 DGCDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444546 622456373 /nfs/dbraw/zinc/45/63/73/622456373.db2.gz CNFFTPZZKHGOHG-NUTKFTJISA-N 1 1 305.418 3.219 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1OC ZINC000768441543 622456447 /nfs/dbraw/zinc/45/64/47/622456447.db2.gz JKWHIROKAUQZAI-OAHLLOKOSA-N 1 1 314.385 3.142 20 10 DGCDMO CCCCC[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462145 622458170 /nfs/dbraw/zinc/45/81/70/622458170.db2.gz JXWSSEGVQGHWAD-YOEHRIQHSA-N 1 1 305.418 3.363 20 10 DGCDMO COc1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c(O)cc1C ZINC000768466155 622458648 /nfs/dbraw/zinc/45/86/48/622458648.db2.gz NAQZUZJQSIYFNX-MRXNPFEDSA-N 1 1 318.461 3.017 20 10 DGCDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000768530577 622462386 /nfs/dbraw/zinc/46/23/86/622462386.db2.gz LYHRKHUSGATHEM-INIZCTEOSA-N 1 1 311.381 3.458 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2cc(C)ccc2O)cc(OC)c1 ZINC000768536243 622462955 /nfs/dbraw/zinc/46/29/55/622462955.db2.gz GFNBQSIEOCZYNR-UHFFFAOYSA-N 1 1 301.386 3.350 20 10 DGCDMO COc1cccc(-c2n[nH]cc2C[N@@H+](C)Cc2ccccc2O)c1 ZINC000768872299 622482008 /nfs/dbraw/zinc/48/20/08/622482008.db2.gz GSLXLKBSHMWMMH-UHFFFAOYSA-N 1 1 323.396 3.423 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c1 ZINC000768891173 622483448 /nfs/dbraw/zinc/48/34/48/622483448.db2.gz BNKRHGUGCVICRL-OAHLLOKOSA-N 1 1 315.413 3.174 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(OC)c(O)c2)c(O)c1 ZINC000769018667 622492655 /nfs/dbraw/zinc/49/26/55/622492655.db2.gz XAZMPIANILIZAE-UHFFFAOYSA-N 1 1 317.385 3.137 20 10 DGCDMO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000769146246 622502177 /nfs/dbraw/zinc/50/21/77/622502177.db2.gz GMUHLERJVOXHQR-OAHLLOKOSA-N 1 1 305.399 3.036 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000769146246 622502180 /nfs/dbraw/zinc/50/21/80/622502180.db2.gz GMUHLERJVOXHQR-OAHLLOKOSA-N 1 1 305.399 3.036 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCN(C)c3ccccc3C2)c(O)c1 ZINC000769319937 622517197 /nfs/dbraw/zinc/51/71/97/622517197.db2.gz FUXFQTODFHPYSR-UHFFFAOYSA-N 1 1 312.413 3.243 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)C2(C(=O)OC)CCCCC2)c(O)c1 ZINC000769401283 622524495 /nfs/dbraw/zinc/52/44/95/622524495.db2.gz FRNDUPMCKYRXJC-UHFFFAOYSA-N 1 1 321.417 3.099 20 10 DGCDMO C[N@@H+](CCn1cccn1)Cc1cc(-c2ccccc2)ccc1O ZINC000769404897 622525131 /nfs/dbraw/zinc/52/51/31/622525131.db2.gz USMPEQOCTCWCQX-UHFFFAOYSA-N 1 1 307.397 3.388 20 10 DGCDMO COC(=O)C1([N@@H+](C)Cc2cc(C)c(C)cc2O)CCCCC1 ZINC000769402154 622525176 /nfs/dbraw/zinc/52/51/76/622525176.db2.gz VXAJXRTYXFYSTL-UHFFFAOYSA-N 1 1 305.418 3.317 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c(O)c1 ZINC000769424932 622527128 /nfs/dbraw/zinc/52/71/28/622527128.db2.gz AJNIUSMARUSOKG-SFHVURJKSA-N 1 1 315.413 3.346 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@@H+]2CCO[C@H](COC)C2)cc1 ZINC000769461208 622529719 /nfs/dbraw/zinc/52/97/19/622529719.db2.gz RDFRGTZWLCHMCH-IBGZPJMESA-N 1 1 320.477 3.160 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2CCO[C@H](COC)C2)cc1 ZINC000769461208 622529720 /nfs/dbraw/zinc/52/97/20/622529720.db2.gz RDFRGTZWLCHMCH-IBGZPJMESA-N 1 1 320.477 3.160 20 10 DGCDMO CCOc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c(O)c1 ZINC000769485244 622532782 /nfs/dbraw/zinc/53/27/82/622532782.db2.gz MBBLZHNSWOOMRU-UHFFFAOYSA-N 1 1 301.308 3.485 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@](C)(C(=O)OC)C2)cc1F ZINC000769525310 622537968 /nfs/dbraw/zinc/53/79/68/622537968.db2.gz HIRCIJPQWHVHPH-GOSISDBHSA-N 1 1 322.424 3.057 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1F ZINC000770292662 622618495 /nfs/dbraw/zinc/61/84/95/622618495.db2.gz NWZRPDGJWHXJIU-QAPCUYQASA-N 1 1 308.441 3.265 20 10 DGCDMO CCc1ccc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)o1 ZINC000770301964 622619260 /nfs/dbraw/zinc/61/92/60/622619260.db2.gz OLSXJRRBSKTLKW-UHFFFAOYSA-N 1 1 318.392 3.312 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000770375002 622627036 /nfs/dbraw/zinc/62/70/36/622627036.db2.gz PPTGMSRIDAEECC-GDBMZVCRSA-N 1 1 305.418 3.039 20 10 DGCDMO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1ccccc1O ZINC000770511094 622641410 /nfs/dbraw/zinc/64/14/10/622641410.db2.gz ZVLOXKYWKMCZKF-UHFFFAOYSA-N 1 1 319.376 3.059 20 10 DGCDMO C[C@@H]([N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)C ZINC000771787955 622796368 /nfs/dbraw/zinc/79/63/68/622796368.db2.gz WAOGBTXMRBJRSB-OAHLLOKOSA-N 1 1 319.493 3.077 20 10 DGCDMO CC1CCC(C)([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000771842257 622802010 /nfs/dbraw/zinc/80/20/10/622802010.db2.gz GAHCZOGCGFHDGI-UHFFFAOYSA-N 1 1 315.505 3.497 20 10 DGCDMO c1ccc([C@H]2CC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000771939304 622820969 /nfs/dbraw/zinc/82/09/69/622820969.db2.gz PUHFCWNJXOGHEB-HXUWFJFHSA-N 1 1 308.425 3.470 20 10 DGCDMO CCCCCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773014884 622967331 /nfs/dbraw/zinc/96/73/31/622967331.db2.gz MNPOLYWJPCGECR-MRXNPFEDSA-N 1 1 319.493 3.442 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)cc1C ZINC000872813602 622984243 /nfs/dbraw/zinc/98/42/43/622984243.db2.gz LSJDXCBGOQWILE-AWEZNQCLSA-N 1 1 303.324 3.162 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](CCO)CCc2ccccc2)cc1 ZINC000773753788 623067625 /nfs/dbraw/zinc/06/76/25/623067625.db2.gz AGIBDULSYONOHO-UHFFFAOYSA-N 1 1 312.457 3.180 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1cc(Cl)c(Cl)cc1O ZINC000774137139 623111491 /nfs/dbraw/zinc/11/14/91/623111491.db2.gz VUIONIRYMVFXOT-UWVGGRQHSA-N 1 1 303.233 3.444 20 10 DGCDMO CCC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000774904083 623206492 /nfs/dbraw/zinc/20/64/92/623206492.db2.gz NUMVVQKWSAZSCW-GFCCVEGCSA-N 1 1 308.378 3.321 20 10 DGCDMO CCC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000774904083 623206495 /nfs/dbraw/zinc/20/64/95/623206495.db2.gz NUMVVQKWSAZSCW-GFCCVEGCSA-N 1 1 308.378 3.321 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000775016099 623216871 /nfs/dbraw/zinc/21/68/71/623216871.db2.gz NZTATAILVIYSHS-NQBHXWOUSA-N 1 1 308.378 3.223 20 10 DGCDMO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000775023793 623217866 /nfs/dbraw/zinc/21/78/66/623217866.db2.gz MDIXZIKHQBMSCJ-DGCLKSJQSA-N 1 1 308.378 3.367 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000775056787 623222904 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C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775649404 623303568 /nfs/dbraw/zinc/30/35/68/623303568.db2.gz QXLBPWLPOXOHJF-YLJYHZDGSA-N 1 1 315.505 3.449 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C3CCC3)cc2)CC1 ZINC000775669574 623310058 /nfs/dbraw/zinc/31/00/58/623310058.db2.gz LVFUASFCLXQFNG-FQEVSTJZSA-N 1 1 313.489 3.203 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H]3C3CCC3)cc2)CC1 ZINC000775669574 623310062 /nfs/dbraw/zinc/31/00/62/623310062.db2.gz LVFUASFCLXQFNG-FQEVSTJZSA-N 1 1 313.489 3.203 20 10 DGCDMO Oc1ccccc1CN(Cc1ccco1)c1[nH+]cnc2[nH]ccc21 ZINC000775683587 623313275 /nfs/dbraw/zinc/31/32/75/623313275.db2.gz WNLJTIMQFJLREM-UHFFFAOYSA-N 1 1 320.352 3.463 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+](CCO)CCc2ccccc2)c1O ZINC000775696936 623316250 /nfs/dbraw/zinc/31/62/50/623316250.db2.gz RHYJEDUVVNYOMB-UHFFFAOYSA-N 1 1 319.832 3.391 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c1O ZINC000775724652 623320001 /nfs/dbraw/zinc/32/00/01/623320001.db2.gz 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ZINC000776012676 623363805 /nfs/dbraw/zinc/36/38/05/623363805.db2.gz IPWVUHSOKOGNNH-GXSJLCMTSA-N 1 1 317.307 3.284 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](Cc3ccccc3)C1)CCC2 ZINC000776294738 623408073 /nfs/dbraw/zinc/40/80/73/623408073.db2.gz VCWQCIOHNNCGRP-FQEVSTJZSA-N 1 1 323.436 3.324 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000776294752 623408106 /nfs/dbraw/zinc/40/81/06/623408106.db2.gz VHAZSSFJBGOICP-IBGZPJMESA-N 1 1 311.425 3.453 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1C ZINC000776765975 623460503 /nfs/dbraw/zinc/46/05/03/623460503.db2.gz MXURVRPTKTXAMD-IBGZPJMESA-N 1 1 315.388 3.242 20 10 DGCDMO Cc1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)sn1 ZINC000876531354 623635698 /nfs/dbraw/zinc/63/56/98/623635698.db2.gz DABCFQKPSSZOLD-OAHLLOKOSA-N 1 1 318.442 3.338 20 10 DGCDMO CCOC(=O)N1CCC(C)(C[N@@H+](C)Cc2ccccc2O)CC1 ZINC000876616131 623661413 /nfs/dbraw/zinc/66/14/13/623661413.db2.gz SWNOHTJODPCLAT-UHFFFAOYSA-N 1 1 320.433 3.083 20 10 DGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000876657800 623672393 /nfs/dbraw/zinc/67/23/93/623672393.db2.gz RRKYMOUGSWJMOR-CVEARBPZSA-N 1 1 302.462 3.268 20 10 DGCDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876677828 623679365 /nfs/dbraw/zinc/67/93/65/623679365.db2.gz VVBXHPLOJSHOFO-UHFFFAOYSA-N 1 1 314.429 3.263 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCC4(CCCC4)C3)cc2)CC1 ZINC000876725821 623689773 /nfs/dbraw/zinc/68/97/73/623689773.db2.gz YMVIBLYNVKPEFD-UHFFFAOYSA-N 1 1 314.473 3.414 20 10 DGCDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876748068 623695650 /nfs/dbraw/zinc/69/56/50/623695650.db2.gz ULGVRTPLDXSCOZ-RDJZCZTQSA-N 1 1 302.462 3.268 20 10 DGCDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876806662 623711419 /nfs/dbraw/zinc/71/14/19/623711419.db2.gz RJRWXCISHBHYAP-QGZVFWFLSA-N 1 1 302.462 3.126 20 10 DGCDMO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c(O)c1 ZINC000876811575 623713746 /nfs/dbraw/zinc/71/37/46/623713746.db2.gz LIILZWLXWIVCGA-MAUKXSAKSA-N 1 1 300.446 3.149 20 10 DGCDMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c(O)c1 ZINC000876811575 623713749 /nfs/dbraw/zinc/71/37/49/623713749.db2.gz LIILZWLXWIVCGA-MAUKXSAKSA-N 1 1 300.446 3.149 20 10 DGCDMO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1cc(F)ccc1O ZINC000778993398 623717196 /nfs/dbraw/zinc/71/71/96/623717196.db2.gz ROUMNLQJKARQHI-UHFFFAOYSA-N 1 1 322.767 3.255 20 10 DGCDMO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cc(F)ccc1O ZINC000778993398 623717202 /nfs/dbraw/zinc/71/72/02/623717202.db2.gz ROUMNLQJKARQHI-UHFFFAOYSA-N 1 1 322.767 3.255 20 10 DGCDMO CC[N@H+](Cc1cc(F)ccc1O)C[C@H]1COc2ccccc2O1 ZINC000778994924 623717895 /nfs/dbraw/zinc/71/78/95/623717895.db2.gz LIVORIBPCLJMIE-HNNXBMFYSA-N 1 1 317.360 3.193 20 10 DGCDMO Oc1ccccc1C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000779144427 623735296 /nfs/dbraw/zinc/73/52/96/623735296.db2.gz YJCVVQZUELOEOY-UHFFFAOYSA-N 1 1 305.381 3.136 20 10 DGCDMO Oc1ccccc1C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000779144427 623735300 /nfs/dbraw/zinc/73/53/00/623735300.db2.gz YJCVVQZUELOEOY-UHFFFAOYSA-N 1 1 305.381 3.136 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H](C(N)=O)C1 ZINC000779204461 623741730 /nfs/dbraw/zinc/74/17/30/623741730.db2.gz SNUXNQGTOZJVAE-RDTXWAMCSA-N 1 1 324.424 3.145 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1F ZINC000779432112 623769359 /nfs/dbraw/zinc/76/93/59/623769359.db2.gz KOWPMHVDHRIWMS-WMLDXEAASA-N 1 1 308.441 3.121 20 10 DGCDMO CCc1ccc[nH+]c1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877162375 623812499 /nfs/dbraw/zinc/81/24/99/623812499.db2.gz ZFNVLEUCNMQFJD-UHFFFAOYSA-N 1 1 311.429 3.217 20 10 DGCDMO COCC1([NH2+]Cc2cc(C)cc(Br)c2O)CCC1 ZINC000790652939 625683529 /nfs/dbraw/zinc/68/35/29/625683529.db2.gz VFUDAYUJLXHNDO-UHFFFAOYSA-N 1 1 314.223 3.122 20 10 DGCDMO COCC[N@@H+](Cc1scnc1C)Cc1c(C)cccc1O ZINC000877482472 623904537 /nfs/dbraw/zinc/90/45/37/623904537.db2.gz FXIKSWYVUZBMDA-UHFFFAOYSA-N 1 1 306.431 3.114 20 10 DGCDMO Cc1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000877486948 623907620 /nfs/dbraw/zinc/90/76/20/623907620.db2.gz ONGMDDVJJDMDHH-GOSISDBHSA-N 1 1 310.441 3.312 20 10 DGCDMO CCCC[N@H+](Cc1cn(CCC)nn1)Cc1ccccc1O ZINC000877503469 623915303 /nfs/dbraw/zinc/91/53/03/623915303.db2.gz MWNPHCKDTSUPKF-UHFFFAOYSA-N 1 1 302.422 3.196 20 10 DGCDMO CCCC[N@@H+](Cc1cn(CCC)nn1)Cc1ccccc1O ZINC000877503469 623915305 /nfs/dbraw/zinc/91/53/05/623915305.db2.gz MWNPHCKDTSUPKF-UHFFFAOYSA-N 1 1 302.422 3.196 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000877560850 623941707 /nfs/dbraw/zinc/94/17/07/623941707.db2.gz BWDWXOWUWZOEDU-MJGOQNOKSA-N 1 1 315.388 3.001 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000780568172 623953059 /nfs/dbraw/zinc/95/30/59/623953059.db2.gz XPYCOHLRWSTTIZ-LBPRGKRZSA-N 1 1 312.207 3.245 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000780568171 623953296 /nfs/dbraw/zinc/95/32/96/623953296.db2.gz XPYCOHLRWSTTIZ-GFCCVEGCSA-N 1 1 312.207 3.245 20 10 DGCDMO Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c(O)c1 ZINC000877600314 623958029 /nfs/dbraw/zinc/95/80/29/623958029.db2.gz MGKITUMNZSNUKT-GOSISDBHSA-N 1 1 301.430 3.482 20 10 DGCDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000780791975 623985742 /nfs/dbraw/zinc/98/57/42/623985742.db2.gz DMDWHDPCIYZJJD-MWLCHTKSSA-N 1 1 317.307 3.284 20 10 DGCDMO CCN(CC)c1ncc(C[N@@H+]2Cc3cccc(O)c3C2)s1 ZINC000877703749 623998873 /nfs/dbraw/zinc/99/88/73/623998873.db2.gz SFTDTFGEPQAGDK-UHFFFAOYSA-N 1 1 303.431 3.211 20 10 DGCDMO CCN(CC)c1ncc(C[N@H+]2Cc3cccc(O)c3C2)s1 ZINC000877703749 623998875 /nfs/dbraw/zinc/99/88/75/623998875.db2.gz SFTDTFGEPQAGDK-UHFFFAOYSA-N 1 1 303.431 3.211 20 10 DGCDMO CCOCc1cc(C[N@@H+]2Cc3cccc(O)c3C2)ccc1OC ZINC000877703478 623998990 /nfs/dbraw/zinc/99/89/90/623998990.db2.gz LHMKCIRZSZWAHZ-UHFFFAOYSA-N 1 1 313.397 3.453 20 10 DGCDMO CCOCc1cc(C[N@H+]2Cc3cccc(O)c3C2)ccc1OC ZINC000877703478 623998994 /nfs/dbraw/zinc/99/89/94/623998994.db2.gz LHMKCIRZSZWAHZ-UHFFFAOYSA-N 1 1 313.397 3.453 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000877711055 624001041 /nfs/dbraw/zinc/00/10/41/624001041.db2.gz VOSVWSACWJNJCJ-ZBEGNZNMSA-N 1 1 313.800 3.480 20 10 DGCDMO COc1ccccc1[C@H]1C[N@@H+](Cc2cccc(C)c2O)CCO1 ZINC000877754684 624021105 /nfs/dbraw/zinc/02/11/05/624021105.db2.gz PJYUFUFVMDXCFG-GOSISDBHSA-N 1 1 313.397 3.283 20 10 DGCDMO CC(C)(O)[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000877796606 624037760 /nfs/dbraw/zinc/03/77/60/624037760.db2.gz KHCADOQXTAAERC-JTQLQIEISA-N 1 1 301.789 3.168 20 10 DGCDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000877796606 624037762 /nfs/dbraw/zinc/03/77/62/624037762.db2.gz KHCADOQXTAAERC-JTQLQIEISA-N 1 1 301.789 3.168 20 10 DGCDMO CC(C)(O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000877795850 624037820 /nfs/dbraw/zinc/03/78/20/624037820.db2.gz XVJYBFLGVGQZOQ-LLVKDONJSA-N 1 1 301.789 3.168 20 10 DGCDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000877795850 624037823 /nfs/dbraw/zinc/03/78/23/624037823.db2.gz XVJYBFLGVGQZOQ-LLVKDONJSA-N 1 1 301.789 3.168 20 10 DGCDMO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC000877817107 624049087 /nfs/dbraw/zinc/04/90/87/624049087.db2.gz QHWVFOUSZCULPS-UHFFFAOYSA-N 1 1 314.360 3.048 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc[nH]c(=O)c1 ZINC000877922869 624093818 /nfs/dbraw/zinc/09/38/18/624093818.db2.gz WERNFWIYDVGXDL-UHFFFAOYSA-N 1 1 311.429 3.410 20 10 DGCDMO CC[N@H+](Cc1cn(C)nn1)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000781580181 624097387 /nfs/dbraw/zinc/09/73/87/624097387.db2.gz UQKZQXUZWFCYLV-UHFFFAOYSA-N 1 1 316.449 3.149 20 10 DGCDMO CC[N@@H+](Cc1cn(C)nn1)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000781580181 624097393 /nfs/dbraw/zinc/09/73/93/624097393.db2.gz UQKZQXUZWFCYLV-UHFFFAOYSA-N 1 1 316.449 3.149 20 10 DGCDMO CC[C@](C)(CCO)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000781635449 624110152 /nfs/dbraw/zinc/11/01/52/624110152.db2.gz NMHHXOBFCKTVAD-CQSZACIVSA-N 1 1 316.239 3.104 20 10 DGCDMO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000782034552 624191879 /nfs/dbraw/zinc/19/18/79/624191879.db2.gz WCUSSEHGRVOFDX-SFHVURJKSA-N 1 1 316.445 3.060 20 10 DGCDMO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000782034552 624191880 /nfs/dbraw/zinc/19/18/80/624191880.db2.gz WCUSSEHGRVOFDX-SFHVURJKSA-N 1 1 316.445 3.060 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ncc(Br)cn1 ZINC000805749219 624378396 /nfs/dbraw/zinc/37/83/96/624378396.db2.gz WQGUVPNQGAOWHK-VHSXEESVSA-N 1 1 322.206 3.357 20 10 DGCDMO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788564611 625217003 /nfs/dbraw/zinc/21/70/03/625217003.db2.gz WTXAQMPRUJIHBT-WDEREUQCSA-N 1 1 305.340 3.469 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cccc(C(F)(F)F)c1O ZINC000788646184 625234936 /nfs/dbraw/zinc/23/49/36/625234936.db2.gz BKDRZJFGDLXNQG-WDEREUQCSA-N 1 1 313.323 3.347 20 10 DGCDMO C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788692751 625244832 /nfs/dbraw/zinc/24/48/32/625244832.db2.gz PURYQPKLMQOKQM-LLVKDONJSA-N 1 1 314.351 3.324 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1O ZINC000788774372 625262426 /nfs/dbraw/zinc/26/24/26/625262426.db2.gz CREUKYHKKZBQJP-HBNTYKKESA-N 1 1 303.324 3.223 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000790947584 625721157 /nfs/dbraw/zinc/72/11/57/625721157.db2.gz SYWBWOJZDKUKRL-SNVBAGLBSA-N 1 1 323.751 3.114 20 10 DGCDMO C[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)N1CCC(C)CC1 ZINC000790962791 625723924 /nfs/dbraw/zinc/72/39/24/625723924.db2.gz SCCKINTYZWCJFG-LBPRGKRZSA-N 1 1 314.832 3.395 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cccc2c1OCCO2 ZINC000790965741 625724408 /nfs/dbraw/zinc/72/44/08/625724408.db2.gz YTBMUVWWGKBZHK-UHFFFAOYSA-N 1 1 323.751 3.246 20 10 DGCDMO CCC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCOCC1 ZINC000790971187 625725389 /nfs/dbraw/zinc/72/53/89/625725389.db2.gz QRHMXAGQAOXGOF-UHFFFAOYSA-N 1 1 301.789 3.481 20 10 DGCDMO CC1(C)[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@@H]2CCCO[C@@H]21 ZINC000790973468 625726741 /nfs/dbraw/zinc/72/67/41/625726741.db2.gz PEYKDIDUACQPFB-AMFBXLIHSA-N 1 1 313.800 3.478 20 10 DGCDMO O=[N+]([O-])c1cccc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000790980127 625728520 /nfs/dbraw/zinc/72/85/20/625728520.db2.gz IIYMETYUTXGEAN-UHFFFAOYSA-N 1 1 324.739 3.425 20 10 DGCDMO CC(C)[C@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000790982732 625729385 /nfs/dbraw/zinc/72/93/85/625729385.db2.gz XNACOSFLAXEYFG-QMTHXVAHSA-N 1 1 301.789 3.478 20 10 DGCDMO OCc1ccc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000790991530 625732125 /nfs/dbraw/zinc/73/21/25/625732125.db2.gz XMDSHSKJUVEFMU-UHFFFAOYSA-N 1 1 309.768 3.009 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000882991304 625887899 /nfs/dbraw/zinc/88/78/99/625887899.db2.gz UTDCANIVEIVJEQ-CQSZACIVSA-N 1 1 309.287 3.423 20 10 DGCDMO Oc1ccc2c(c1)CC[N@@H+](Cc1c(O)ccc(Cl)c1F)CC2 ZINC000792166336 625918672 /nfs/dbraw/zinc/91/86/72/625918672.db2.gz XUBOKCSJJZZPBV-UHFFFAOYSA-N 1 1 321.779 3.491 20 10 DGCDMO Oc1ccc2c(c1)CC[N@H+](Cc1c(O)ccc(Cl)c1F)CC2 ZINC000792166336 625918676 /nfs/dbraw/zinc/91/86/76/625918676.db2.gz XUBOKCSJJZZPBV-UHFFFAOYSA-N 1 1 321.779 3.491 20 10 DGCDMO COC(=O)C1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCCC1 ZINC000792174242 625919337 /nfs/dbraw/zinc/91/93/37/625919337.db2.gz OSYGJLNGOPHAPV-UHFFFAOYSA-N 1 1 315.772 3.008 20 10 DGCDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792180744 625921225 /nfs/dbraw/zinc/92/12/25/625921225.db2.gz STIBFZZSQQDHII-NRUUGDAUSA-N 1 1 301.789 3.166 20 10 DGCDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792180744 625921227 /nfs/dbraw/zinc/92/12/27/625921227.db2.gz STIBFZZSQQDHII-NRUUGDAUSA-N 1 1 301.789 3.166 20 10 DGCDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792180738 625921595 /nfs/dbraw/zinc/92/15/95/625921595.db2.gz STIBFZZSQQDHII-GBIKHYSHSA-N 1 1 301.789 3.166 20 10 DGCDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792180738 625921600 /nfs/dbraw/zinc/92/16/00/625921600.db2.gz STIBFZZSQQDHII-GBIKHYSHSA-N 1 1 301.789 3.166 20 10 DGCDMO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000883112165 625931114 /nfs/dbraw/zinc/93/11/14/625931114.db2.gz BOADKUXNGPYVEA-INIZCTEOSA-N 1 1 307.340 3.110 20 10 DGCDMO C[C@@H](NCc1ncc(C[NH+](C)C)s1)c1ccc(N(C)C)cc1 ZINC000796351074 626041500 /nfs/dbraw/zinc/04/15/00/626041500.db2.gz DUXCMCRKKYHGIO-CYBMUJFWSA-N 1 1 318.490 3.122 20 10 DGCDMO CC[C@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1ccc(F)cc1O ZINC000796696805 626074062 /nfs/dbraw/zinc/07/40/62/626074062.db2.gz TVBUTBAFJYDGJZ-INIZCTEOSA-N 1 1 316.376 3.132 20 10 DGCDMO CN1CCCc2cc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)ccc21 ZINC000796726888 626076688 /nfs/dbraw/zinc/07/66/88/626076688.db2.gz GIUFSKXTQIACGC-QWFCFKBJSA-N 1 1 313.489 3.031 20 10 DGCDMO CC[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1O ZINC000796837322 626088098 /nfs/dbraw/zinc/08/80/98/626088098.db2.gz WOFGEKQBNWATDA-GOEBONIOSA-N 1 1 323.408 3.300 20 10 DGCDMO CC[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(F)cc1O ZINC000796841345 626088878 /nfs/dbraw/zinc/08/88/78/626088878.db2.gz SDYRSYRVOVXJRB-MJGOQNOKSA-N 1 1 315.388 3.406 20 10 DGCDMO CC[C@@H]([NH2+]CCc1ccc(CO)cc1)c1ccc(F)cc1O ZINC000796855894 626090545 /nfs/dbraw/zinc/09/05/45/626090545.db2.gz RPJFTIRPXMUOJA-QGZVFWFLSA-N 1 1 303.377 3.307 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc(F)cc1O ZINC000797131396 626116891 /nfs/dbraw/zinc/11/68/91/626116891.db2.gz GBRRZZIMBCFZDQ-AMXDTQDGSA-N 1 1 321.417 3.261 20 10 DGCDMO COc1cccc(O)c1CNC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000797889768 626177530 /nfs/dbraw/zinc/17/75/30/626177530.db2.gz DUNNITALRWIILL-MRXNPFEDSA-N 1 1 318.461 3.288 20 10 DGCDMO COc1cccc(O)c1C[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000797889768 626177532 /nfs/dbraw/zinc/17/75/32/626177532.db2.gz DUNNITALRWIILL-MRXNPFEDSA-N 1 1 318.461 3.288 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c1O ZINC000799148611 626275423 /nfs/dbraw/zinc/27/54/23/626275423.db2.gz DFUAEMFNIQIZJN-MRXNPFEDSA-N 1 1 315.417 3.170 20 10 DGCDMO CC(C)c1ncc(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000799736935 626326212 /nfs/dbraw/zinc/32/62/12/626326212.db2.gz MNNDTHUULVXGMB-UHFFFAOYSA-N 1 1 316.424 3.437 20 10 DGCDMO CC(C)c1ncc(C[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000799736935 626326214 /nfs/dbraw/zinc/32/62/14/626326214.db2.gz MNNDTHUULVXGMB-UHFFFAOYSA-N 1 1 316.424 3.437 20 10 DGCDMO COc1ccc(N2CCC[N@@H+](CCSC(C)C)CC2)cc1 ZINC000801511585 626406490 /nfs/dbraw/zinc/40/64/90/626406490.db2.gz DNDKOCNLBMCYLA-UHFFFAOYSA-N 1 1 308.491 3.349 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)N(CC)CC ZINC000801599309 626411912 /nfs/dbraw/zinc/41/19/12/626411912.db2.gz JWCCXNSTWKPEIW-HNNXBMFYSA-N 1 1 306.450 3.251 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000802656407 626565342 /nfs/dbraw/zinc/56/53/42/626565342.db2.gz KVNPHABMAYUCGG-GOSISDBHSA-N 1 1 301.361 3.472 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000802656653 626565391 /nfs/dbraw/zinc/56/53/91/626565391.db2.gz NPYBILXQZVGYPS-GOSISDBHSA-N 1 1 301.361 3.472 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c1O ZINC000802656922 626565504 /nfs/dbraw/zinc/56/55/04/626565504.db2.gz SCEWVUCFQQIFNH-SFHVURJKSA-N 1 1 301.361 3.472 20 10 DGCDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(O)cc1C ZINC000840113462 626767496 /nfs/dbraw/zinc/76/74/96/626767496.db2.gz BKCWSNAANRMTDV-BBWFWOEESA-N 1 1 319.445 3.225 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](OC)[C@H](C)C3)c2c1 ZINC000840127668 626790147 /nfs/dbraw/zinc/79/01/47/626790147.db2.gz TXNRUTFDYMFGIM-BFUOFWGJSA-N 1 1 315.413 3.411 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000884482804 626887410 /nfs/dbraw/zinc/88/74/10/626887410.db2.gz ICQCLRLLALRBJH-CXAGYDPISA-N 1 1 319.445 3.396 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](CF)C1)oc1ccccc12 ZINC000840171051 626902431 /nfs/dbraw/zinc/90/24/31/626902431.db2.gz DWPNAAWVXSVLHO-ZDUSSCGKSA-N 1 1 315.344 3.462 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](CF)C1)oc1ccccc12 ZINC000840171051 626902434 /nfs/dbraw/zinc/90/24/34/626902434.db2.gz DWPNAAWVXSVLHO-ZDUSSCGKSA-N 1 1 315.344 3.462 20 10 DGCDMO C[C@]1(O)CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809593643 626924060 /nfs/dbraw/zinc/92/40/60/626924060.db2.gz PSEZHDCLXIBFKV-NRFANRHFSA-N 1 1 322.452 3.206 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@H]2CCCOC2)c1 ZINC000809692795 626937230 /nfs/dbraw/zinc/93/72/30/626937230.db2.gz GXZFNSMFWSTAOP-LBPRGKRZSA-N 1 1 314.223 3.074 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)[C@H]2CCCOC2)c1 ZINC000809692795 626937231 /nfs/dbraw/zinc/93/72/31/626937231.db2.gz GXZFNSMFWSTAOP-LBPRGKRZSA-N 1 1 314.223 3.074 20 10 DGCDMO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(Cl)cc(F)c1O ZINC000809703955 626939131 /nfs/dbraw/zinc/93/91/31/626939131.db2.gz SEIPMMOIBRPFRA-SMDDNHRTSA-N 1 1 312.816 3.243 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)C)cc1C ZINC000809708481 626939858 /nfs/dbraw/zinc/93/98/58/626939858.db2.gz CWFHBSPBKDDEAF-MRXNPFEDSA-N 1 1 320.433 3.062 20 10 DGCDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000809717380 626940670 /nfs/dbraw/zinc/94/06/70/626940670.db2.gz GYZXLMUPQHAQIT-OAHLLOKOSA-N 1 1 315.413 3.438 20 10 DGCDMO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC000809721508 626941372 /nfs/dbraw/zinc/94/13/72/626941372.db2.gz ZQEAMQWDXQVNCL-AWEZNQCLSA-N 1 1 324.396 3.020 20 10 DGCDMO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC000809721508 626941375 /nfs/dbraw/zinc/94/13/75/626941375.db2.gz ZQEAMQWDXQVNCL-AWEZNQCLSA-N 1 1 324.396 3.020 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000809789743 626953884 /nfs/dbraw/zinc/95/38/84/626953884.db2.gz CBCNTPHLBJQBIQ-UHFFFAOYSA-N 1 1 317.772 3.419 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000809789743 626953886 /nfs/dbraw/zinc/95/38/86/626953886.db2.gz CBCNTPHLBJQBIQ-UHFFFAOYSA-N 1 1 317.772 3.419 20 10 DGCDMO COc1ccc(N(CCC(C)C)C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000809999144 626967205 /nfs/dbraw/zinc/96/72/05/626967205.db2.gz CKFPLXYOCQHDMY-GOSISDBHSA-N 1 1 320.477 3.003 20 10 DGCDMO CC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(Cl)ccc1O ZINC000810254764 626993114 /nfs/dbraw/zinc/99/31/14/626993114.db2.gz RATAAMQJJXUWJW-AAEUAGOBSA-N 1 1 305.809 3.367 20 10 DGCDMO Oc1cccc(Br)c1C[NH2+]Cc1cc(C2CC2)no1 ZINC000886269021 627128377 /nfs/dbraw/zinc/12/83/77/627128377.db2.gz IRBLOJIKMIKXIJ-UHFFFAOYSA-N 1 1 323.190 3.310 20 10 DGCDMO COc1cccc(CC[NH2+][C@H](C)c2c(O)cccc2F)c1OC ZINC000886507778 627154458 /nfs/dbraw/zinc/15/44/58/627154458.db2.gz YDWASZYMHYJEGN-GFCCVEGCSA-N 1 1 319.376 3.442 20 10 DGCDMO COCCOc1cccc(C[NH2+][C@@H](C)c2c(O)cccc2F)c1 ZINC000886506559 627154679 /nfs/dbraw/zinc/15/46/79/627154679.db2.gz YXXQUPJZIQULDI-ZDUSSCGKSA-N 1 1 319.376 3.407 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1c(O)cccc1F ZINC000886511325 627155100 /nfs/dbraw/zinc/15/51/00/627155100.db2.gz QKPLTMOLYRFULZ-HIFRSBDPSA-N 1 1 303.377 3.033 20 10 DGCDMO COc1ccc(C[NH2+][C@@H](C)c2c(O)cccc2F)cc1[N+](=O)[O-] ZINC000886516477 627155699 /nfs/dbraw/zinc/15/56/99/627155699.db2.gz JKAWWBZVLMHRPB-JTQLQIEISA-N 1 1 320.320 3.299 20 10 DGCDMO Cc1cccn2cc(CC[NH2+][C@@H](C)c3c(O)cccc3F)nc12 ZINC000886534501 627158258 /nfs/dbraw/zinc/15/82/58/627158258.db2.gz JQTIZMZYFJSNOO-ZDUSSCGKSA-N 1 1 313.376 3.381 20 10 DGCDMO C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1c(O)cccc1F ZINC000886540690 627159470 /nfs/dbraw/zinc/15/94/70/627159470.db2.gz JGIIKNKFWPPRNA-SECBINFHSA-N 1 1 317.286 3.141 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1c(O)cccc1F ZINC000886550155 627161554 /nfs/dbraw/zinc/16/15/54/627161554.db2.gz TUBJWYYJKLYKPK-PSVSLLHZSA-N 1 1 307.340 3.443 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1c(O)cccc1F ZINC000886556724 627162357 /nfs/dbraw/zinc/16/23/57/627162357.db2.gz JAMMURQHAOBKMI-BLLLJJGKSA-N 1 1 300.377 3.369 20 10 DGCDMO C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1F ZINC000886558621 627162929 /nfs/dbraw/zinc/16/29/29/627162929.db2.gz OSOWFXOSGXAFOA-NSHDSACASA-N 1 1 324.396 3.049 20 10 DGCDMO COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886587935 627168137 /nfs/dbraw/zinc/16/81/37/627168137.db2.gz IMETYTWDLLCPTI-OLZOCXBDSA-N 1 1 307.365 3.423 20 10 DGCDMO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886594559 627169204 /nfs/dbraw/zinc/16/92/04/627169204.db2.gz OYOTYWVEBNAOGQ-VXGBXAGGSA-N 1 1 324.396 3.049 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1c(O)cccc1F ZINC000886609234 627172480 /nfs/dbraw/zinc/17/24/80/627172480.db2.gz OYCGJHMCVTWPOW-YTEVENLXSA-N 1 1 321.417 3.261 20 10 DGCDMO C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1c(O)cccc1F ZINC000886626491 627176233 /nfs/dbraw/zinc/17/62/33/627176233.db2.gz CXFKMKUVARQCMG-WCQYABFASA-N 1 1 307.340 3.097 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)[C@](C)(O)c1ccccc1 ZINC000886631709 627177011 /nfs/dbraw/zinc/17/70/11/627177011.db2.gz UTYMPLHYOQSJHI-JCGVRSQUSA-N 1 1 303.377 3.478 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1)c1ccc(F)cc1O ZINC000886767049 627202654 /nfs/dbraw/zinc/20/26/54/627202654.db2.gz YMIKYUOEKFHRAK-GKEYINFOSA-N 1 1 323.408 3.299 20 10 DGCDMO Cc1cccc(C[NH+]2CC(O)(c3ccc(Cl)cc3)C2)c1O ZINC000811509201 627284278 /nfs/dbraw/zinc/28/42/78/627284278.db2.gz MISQQYOCEGJZCG-UHFFFAOYSA-N 1 1 303.789 3.057 20 10 DGCDMO OC1(c2ccccc2)C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000811509268 627284364 /nfs/dbraw/zinc/28/43/64/627284364.db2.gz STNHEMXWGVQESN-UHFFFAOYSA-N 1 1 322.452 3.380 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1F ZINC000811510697 627284756 /nfs/dbraw/zinc/28/47/56/627284756.db2.gz NDUZHVXQCAPQFU-DLBZAZTESA-N 1 1 306.425 3.281 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(O)c1 ZINC000811518814 627287197 /nfs/dbraw/zinc/28/71/97/627287197.db2.gz PEXSFYIWAVMKQO-ZWKOTPCHSA-N 1 1 317.429 3.324 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000811520062 627287367 /nfs/dbraw/zinc/28/73/67/627287367.db2.gz JBQUVJMGJYASRL-LJQANCHMSA-N 1 1 312.461 3.485 20 10 DGCDMO CC1(C)C[N@@H+](Cc2c(O)ccc3ccncc32)[C@@H]1[C@@H]1CCCO1 ZINC000811776217 627320017 /nfs/dbraw/zinc/32/00/17/627320017.db2.gz LHYWBKQGNGBFRA-ZWKOTPCHSA-N 1 1 312.413 3.330 20 10 DGCDMO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ncc(Br)cn2)c1 ZINC000814301681 627557977 /nfs/dbraw/zinc/55/79/77/627557977.db2.gz BHGPXEMTEMWXNZ-JTQLQIEISA-N 1 1 322.206 3.104 20 10 DGCDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000815057646 627620589 /nfs/dbraw/zinc/62/05/89/627620589.db2.gz WHZDQAACGPYWBQ-AEFFLSMTSA-N 1 1 303.494 3.366 20 10 DGCDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000815057646 627620592 /nfs/dbraw/zinc/62/05/92/627620592.db2.gz WHZDQAACGPYWBQ-AEFFLSMTSA-N 1 1 303.494 3.366 20 10 DGCDMO Cc1cc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)ccc1N(C)C ZINC000815074244 627623169 /nfs/dbraw/zinc/62/31/69/627623169.db2.gz NEQMWYOBLKLCNY-GOSISDBHSA-N 1 1 312.461 3.304 20 10 DGCDMO Cc1cc(C[N@H+]2CCOCC3(CCCC3)C2)ccc1N(C)C ZINC000815093376 627625791 /nfs/dbraw/zinc/62/57/91/627625791.db2.gz IVBBWTDMXFUBPQ-UHFFFAOYSA-N 1 1 302.462 3.454 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)cc1 ZINC000815122433 627631851 /nfs/dbraw/zinc/63/18/51/627631851.db2.gz VPIZMQDPXWGDCV-HXUWFJFHSA-N 1 1 312.457 3.178 20 10 DGCDMO COCCOCCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815554904 627683969 /nfs/dbraw/zinc/68/39/69/627683969.db2.gz LLUZIRFTBMJHDF-LLVKDONJSA-N 1 1 321.339 3.115 20 10 DGCDMO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cccc(C(F)(F)F)c1O ZINC000815562153 627684669 /nfs/dbraw/zinc/68/46/69/627684669.db2.gz YNUXXUAMJBPNJY-IINYFYTJSA-N 1 1 316.367 3.402 20 10 DGCDMO CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815560715 627684892 /nfs/dbraw/zinc/68/48/92/627684892.db2.gz NYFNUEYFTAZFIK-NEPJUHHUSA-N 1 1 316.367 3.403 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cccc(C(F)(F)F)c1O ZINC000815563995 627685382 /nfs/dbraw/zinc/68/53/82/627685382.db2.gz UPOZNXXKNZXANP-GHMZBOCLSA-N 1 1 302.340 3.156 20 10 DGCDMO Cc1cc(C)c([C@@H](C)[NH2+]Cc2n[nH]cc2Br)c(O)c1 ZINC000815581758 627687665 /nfs/dbraw/zinc/68/76/65/627687665.db2.gz OPLONDWBPVSJJG-SNVBAGLBSA-N 1 1 324.222 3.345 20 10 DGCDMO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815584149 627688029 /nfs/dbraw/zinc/68/80/29/627688029.db2.gz WUEMOLCHDAJOLT-GWCFXTLKSA-N 1 1 305.340 3.469 20 10 DGCDMO CCn1cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)cn1 ZINC000815593518 627689131 /nfs/dbraw/zinc/68/91/31/627689131.db2.gz OVBQKZPFVMWJQZ-JTQLQIEISA-N 1 1 313.323 3.478 20 10 DGCDMO CCn1cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)cn1 ZINC000815593519 627689219 /nfs/dbraw/zinc/68/92/19/627689219.db2.gz OVBQKZPFVMWJQZ-SNVBAGLBSA-N 1 1 313.323 3.478 20 10 DGCDMO C[C@@H]([NH2+]CC1=CCCOC1)c1cccc(C(F)(F)F)c1O ZINC000815626561 627692237 /nfs/dbraw/zinc/69/22/37/627692237.db2.gz HCENNPTTZUDULJ-SNVBAGLBSA-N 1 1 301.308 3.408 20 10 DGCDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816506395 627798418 /nfs/dbraw/zinc/79/84/18/627798418.db2.gz ATXFZGNXKLJGCB-QGZVFWFLSA-N 1 1 324.424 3.132 20 10 DGCDMO Cc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816537552 627803988 /nfs/dbraw/zinc/80/39/88/627803988.db2.gz ITUMSDBHHWZWQM-MRXNPFEDSA-N 1 1 309.768 3.316 20 10 DGCDMO COc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1O ZINC000816544220 627805172 /nfs/dbraw/zinc/80/51/72/627805172.db2.gz BGZDXOABZGYGMR-UHFFFAOYSA-N 1 1 311.740 3.189 20 10 DGCDMO OC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1CCCCC1 ZINC000816554274 627806738 /nfs/dbraw/zinc/80/67/38/627806738.db2.gz UAAQGMINRCWFOW-AWEZNQCLSA-N 1 1 301.789 3.216 20 10 DGCDMO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(Cl)c(F)cc1O ZINC000816608638 627814418 /nfs/dbraw/zinc/81/44/18/627814418.db2.gz FPDHZYCWPNUNEN-AAEUAGOBSA-N 1 1 312.816 3.243 20 10 DGCDMO Cc1cccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)c1O ZINC000816627696 627816102 /nfs/dbraw/zinc/81/61/02/627816102.db2.gz URKHTBGKWLAOCO-JTQLQIEISA-N 1 1 322.206 3.104 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c1O ZINC000816625066 627816588 /nfs/dbraw/zinc/81/65/88/627816588.db2.gz PYJGHCXJBSVNRC-KRWDZBQOSA-N 1 1 319.832 3.389 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000816630968 627817329 /nfs/dbraw/zinc/81/73/29/627817329.db2.gz ZDROPKNGNSMHDI-SFHVURJKSA-N 1 1 302.462 3.412 20 10 DGCDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000816647872 627820048 /nfs/dbraw/zinc/82/00/48/627820048.db2.gz ZHCALMXNIDPVJY-UONOGXRCSA-N 1 1 303.406 3.425 20 10 DGCDMO C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817412706 627896503 /nfs/dbraw/zinc/89/65/03/627896503.db2.gz OIORRRGJWHCWBS-WMZOPIPTSA-N 1 1 302.462 3.127 20 10 DGCDMO CON1CCC([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000817588131 627927293 /nfs/dbraw/zinc/92/72/93/627927293.db2.gz LZPGKUHNOZXGQO-JTQLQIEISA-N 1 1 318.339 3.087 20 10 DGCDMO CN(C)c1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1F ZINC000817901177 627956030 /nfs/dbraw/zinc/95/60/30/627956030.db2.gz SVONSIRNCZUOKW-RYQLBKOJSA-N 1 1 319.468 3.292 20 10 DGCDMO Cc1cccc2c1CC[C@H]2NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938384 627966322 /nfs/dbraw/zinc/96/63/22/627966322.db2.gz JQZDRKURRBBHRH-WOJBJXKFSA-N 1 1 309.457 3.338 20 10 DGCDMO C[C@@H](NC1CC[NH2+]CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817935065 627966901 /nfs/dbraw/zinc/96/69/01/627966901.db2.gz FKNLIOPRXUOHHR-MRXNPFEDSA-N 1 1 301.478 3.470 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1F ZINC000817938908 627967252 /nfs/dbraw/zinc/96/72/52/627967252.db2.gz VJRQUPQGMVRSTA-FZKQIMNGSA-N 1 1 301.409 3.242 20 10 DGCDMO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000817938856 627967335 /nfs/dbraw/zinc/96/73/35/627967335.db2.gz UOKSLRNVTCGJMM-RTBURBONSA-N 1 1 313.420 3.169 20 10 DGCDMO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccnc(Cl)c1 ZINC000817939891 627967624 /nfs/dbraw/zinc/96/76/24/627967624.db2.gz CZZLFMAMADQPMA-LRDDRELGSA-N 1 1 318.852 3.152 20 10 DGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@H](c2cccnc2)C2CCC2)cc1 ZINC000817943260 627969334 /nfs/dbraw/zinc/96/93/34/627969334.db2.gz SXJZCELRPOIATI-PMACEKPBSA-N 1 1 324.472 3.278 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)cn1 ZINC000817942625 627969476 /nfs/dbraw/zinc/96/94/76/627969476.db2.gz QBMQQAVLEGNQBM-MLGOLLRUSA-N 1 1 318.852 3.152 20 10 DGCDMO CC[NH2+]CCC[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000817943112 627969787 /nfs/dbraw/zinc/96/97/87/627969787.db2.gz IRKHNAYPWYXZME-CYBMUJFWSA-N 1 1 315.255 3.195 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000817942775 627969906 /nfs/dbraw/zinc/96/99/06/627969906.db2.gz QVVXXSMQQGPEQI-SJORKVTESA-N 1 1 316.424 3.027 20 10 DGCDMO COc1ccsc1[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817943866 627969991 /nfs/dbraw/zinc/96/99/91/627969991.db2.gz WEHKLBRCWVTNDS-WFASDCNBSA-N 1 1 319.474 3.173 20 10 DGCDMO C[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000817968058 627978828 /nfs/dbraw/zinc/97/88/28/627978828.db2.gz NXOALRWHXLIBRV-GJYPPUQNSA-N 1 1 301.478 3.326 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1[O-] ZINC000817970428 627978860 /nfs/dbraw/zinc/97/88/60/627978860.db2.gz VDZGTFXEUCMYKY-MVWJERBFSA-N 1 1 313.239 3.075 20 10 DGCDMO C[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817970766 627979874 /nfs/dbraw/zinc/97/98/74/627979874.db2.gz DQZWUQGHIMECKJ-MPGHIAIKSA-N 1 1 319.468 3.465 20 10 DGCDMO C[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817970769 627980023 /nfs/dbraw/zinc/98/00/23/627980023.db2.gz DQZWUQGHIMECKJ-VKJFTORMSA-N 1 1 319.468 3.465 20 10 DGCDMO CCN(C)c1ccc([C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000817987410 627984414 /nfs/dbraw/zinc/98/44/14/627984414.db2.gz YTVRVDFYVKRYJK-NVXWUHKLSA-N 1 1 301.478 3.468 20 10 DGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1[O-] ZINC000817985691 627984450 /nfs/dbraw/zinc/98/44/50/627984450.db2.gz GYHNMPYSLSBXPV-PWNZVWSESA-N 1 1 308.853 3.393 20 10 DGCDMO CC[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(F)cc1O ZINC000927102538 628014726 /nfs/dbraw/zinc/01/47/26/628014726.db2.gz SLBDXTDEUWBDDF-OAHLLOKOSA-N 1 1 303.381 3.383 20 10 DGCDMO CC(C)n1cncc1C[NH2+]Cc1cccc(Br)c1O ZINC000822476774 628455977 /nfs/dbraw/zinc/45/59/77/628455977.db2.gz WGUVTGBTROCWQF-UHFFFAOYSA-N 1 1 324.222 3.222 20 10 DGCDMO CC[C@](C)(C(=O)OC)[N@H+](Cc1cc(C)ccc1O)CC1CC1 ZINC000822503540 628458097 /nfs/dbraw/zinc/45/80/97/628458097.db2.gz IHWYNCNYAVTNSX-GOSISDBHSA-N 1 1 305.418 3.254 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000822530372 628461785 /nfs/dbraw/zinc/46/17/85/628461785.db2.gz ZAPVLGYGRUJVHP-GOSISDBHSA-N 1 1 301.430 3.482 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000822530082 628462161 /nfs/dbraw/zinc/46/21/61/628462161.db2.gz PMYXOLDIISQTQK-SFHVURJKSA-N 1 1 317.429 3.182 20 10 DGCDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(N)=O ZINC000824608592 628676603 /nfs/dbraw/zinc/67/66/03/628676603.db2.gz JZBCOCXHSREGGW-GFCCVEGCSA-N 1 1 324.852 3.159 20 10 DGCDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824636294 628679236 /nfs/dbraw/zinc/67/92/36/628679236.db2.gz OODMAUSOOCOSBT-PKOBYXMFSA-N 1 1 302.462 3.270 20 10 DGCDMO CCC1([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCCC1 ZINC000824650112 628680067 /nfs/dbraw/zinc/68/00/67/628680067.db2.gz IULFYDSVBDNOTL-UHFFFAOYSA-N 1 1 301.478 3.251 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1F ZINC000824696990 628684895 /nfs/dbraw/zinc/68/48/95/628684895.db2.gz WYIXCPIJYLYCLA-WDYCEAGBSA-N 1 1 320.452 3.407 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1O ZINC000824715522 628686523 /nfs/dbraw/zinc/68/65/23/628686523.db2.gz LDGNIECBXXPLRB-XHSDSOJGSA-N 1 1 309.837 3.479 20 10 DGCDMO COc1cc(C[N@@H+](C[C@@H](C)O)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000824725907 628687757 /nfs/dbraw/zinc/68/77/57/628687757.db2.gz OGJDZPWEIHBPNZ-CYBMUJFWSA-N 1 1 309.450 3.290 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000824815768 628697630 /nfs/dbraw/zinc/69/76/30/628697630.db2.gz YZCJLJUBKVVMMN-HZMBPMFUSA-N 1 1 314.223 3.012 20 10 DGCDMO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C)cc(Br)c1O ZINC000824903683 628704471 /nfs/dbraw/zinc/70/44/71/628704471.db2.gz JJEVNPJOFLTNNY-CHWSQXEVSA-N 1 1 314.223 3.120 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CCCC1 ZINC000825283943 628746335 /nfs/dbraw/zinc/74/63/35/628746335.db2.gz AGHUKHHGUDUEJV-INIZCTEOSA-N 1 1 301.478 3.107 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](CCCO)C2)cc1F ZINC000825337697 628751528 /nfs/dbraw/zinc/75/15/28/628751528.db2.gz IJFWDWOLJKCRPZ-HNNXBMFYSA-N 1 1 308.441 3.266 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826123350 628830136 /nfs/dbraw/zinc/83/01/36/628830136.db2.gz LHEQONBVCLSFCI-KBPBESRZSA-N 1 1 321.461 3.291 20 10 DGCDMO CC[C@H](COCC1CC1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000826867452 628897511 /nfs/dbraw/zinc/89/75/11/628897511.db2.gz 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311.385 3.436 20 10 DGCDMO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccccc1F ZINC000846182960 631213922 /nfs/dbraw/zinc/21/39/22/631213922.db2.gz MLNQALDGMLFLKU-WVQJBOLRSA-N 1 1 307.340 3.443 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@](C)(O)c1ccccc1 ZINC000846186132 631214100 /nfs/dbraw/zinc/21/41/00/631214100.db2.gz DSIJUMRTTBUIIL-JCGVRSQUSA-N 1 1 303.377 3.478 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)c1nccc(N)n1 ZINC000846894081 631344336 /nfs/dbraw/zinc/34/43/36/631344336.db2.gz PQRRSJRCLJMILB-CYBMUJFWSA-N 1 1 300.406 3.128 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccc(F)cc1O ZINC000848558128 631691722 /nfs/dbraw/zinc/69/17/22/631691722.db2.gz JUODOSFDTFWGBD-ZBEGNZNMSA-N 1 1 314.360 3.135 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000848559409 631692621 /nfs/dbraw/zinc/69/26/21/631692621.db2.gz WIOKSPKHWCNLHF-SZOQZIPDSA-N 1 1 324.440 3.070 20 10 DGCDMO CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)[C@@H]1CCCCO1 ZINC000848567579 631695732 /nfs/dbraw/zinc/69/57/32/631695732.db2.gz ITLYIKXNYJBQMD-PVUWLOKVSA-N 1 1 321.417 3.177 20 10 DGCDMO CCc1cccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000848881049 631768109 /nfs/dbraw/zinc/76/81/09/631768109.db2.gz LOXXPPQPLWPGDL-OAHLLOKOSA-N 1 1 320.433 3.054 20 10 DGCDMO CCc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000848885305 631770827 /nfs/dbraw/zinc/77/08/27/631770827.db2.gz SOJNEBKXEKSFQO-CYBMUJFWSA-N 1 1 322.449 3.300 20 10 DGCDMO CCc1cccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1O ZINC000848887551 631772168 /nfs/dbraw/zinc/77/21/68/631772168.db2.gz YWQOQLPREDBNJW-GOSISDBHSA-N 1 1 313.397 3.234 20 10 DGCDMO CCc1cccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O ZINC000848907405 631781586 /nfs/dbraw/zinc/78/15/86/631781586.db2.gz CSWWCGBLTNZREC-DOXZYTNZSA-N 1 1 319.445 3.113 20 10 DGCDMO CCc1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000848907408 631781946 /nfs/dbraw/zinc/78/19/46/631781946.db2.gz CSWWCGBLTNZREC-ZRGWGRIASA-N 1 1 319.445 3.113 20 10 DGCDMO CCc1cccc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)c1O ZINC000848906836 631782140 /nfs/dbraw/zinc/78/21/40/631782140.db2.gz XQLVIATXZSRTKF-LLVKDONJSA-N 1 1 303.406 3.486 20 10 DGCDMO CCOCc1cc(CN[C@@H]2CC[N@H+](C(C)(C)C)C2)ccc1OC ZINC000850350991 632121743 /nfs/dbraw/zinc/12/17/43/632121743.db2.gz JOOSHVGNPCJIBP-QGZVFWFLSA-N 1 1 320.477 3.194 20 10 DGCDMO CCOCc1cc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)ccc1OC ZINC000850350991 632121744 /nfs/dbraw/zinc/12/17/44/632121744.db2.gz JOOSHVGNPCJIBP-QGZVFWFLSA-N 1 1 320.477 3.194 20 10 DGCDMO CCOc1ccc(O)c(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000850382718 632134144 /nfs/dbraw/zinc/13/41/44/632134144.db2.gz VJSJLAKIVPDECG-MRXNPFEDSA-N 1 1 318.461 3.288 20 10 DGCDMO CCOc1ccc(O)c(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000850382718 632134149 /nfs/dbraw/zinc/13/41/49/632134149.db2.gz VJSJLAKIVPDECG-MRXNPFEDSA-N 1 1 318.461 3.288 20 10 DGCDMO Cn1ncc(C2CCC2)c1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850391120 632136838 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Oc1ccccc1C[N@H+](Cc1cccc(F)n1)C[C@@H]1CCCO1 ZINC000851840133 632506628 /nfs/dbraw/zinc/50/66/28/632506628.db2.gz ACEXYSFHCVSHDP-INIZCTEOSA-N 1 1 316.376 3.108 20 10 DGCDMO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(F)cc1O ZINC000184896767 660194317 /nfs/dbraw/zinc/19/43/17/660194317.db2.gz RESPIHOXCAFCHL-NSHDSACASA-N 1 1 303.333 3.153 20 10 DGCDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000701730233 660681599 /nfs/dbraw/zinc/68/15/99/660681599.db2.gz VDKVQYOYXMMPTD-CYBMUJFWSA-N 1 1 314.223 3.154 20 10 DGCDMO COCCCC[N@@H+](C)Cc1c(O)cccc1Br ZINC000707138872 660888632 /nfs/dbraw/zinc/88/86/32/660888632.db2.gz IJJILHZXQIZBRA-UHFFFAOYSA-N 1 1 302.212 3.013 20 10 DGCDMO CO[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC000707151496 660893901 /nfs/dbraw/zinc/89/39/01/660893901.db2.gz DUCNGNLIIMODRT-LLVKDONJSA-N 1 1 314.223 3.156 20 10 DGCDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000708270679 660919376 /nfs/dbraw/zinc/91/93/76/660919376.db2.gz LOFWTUYCJABOGW-LLVKDONJSA-N 1 1 314.223 3.013 20 10 DGCDMO [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709993520 660931425 /nfs/dbraw/zinc/93/14/25/660931425.db2.gz ZPMZWPLUFSSHPE-HNNXBMFYSA-N 1 1 315.244 3.275 20 10 DGCDMO [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709993520 660931427 /nfs/dbraw/zinc/93/14/27/660931427.db2.gz ZPMZWPLUFSSHPE-HNNXBMFYSA-N 1 1 315.244 3.275 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCCO1 ZINC000792805523 660986014 /nfs/dbraw/zinc/98/60/14/660986014.db2.gz IAMSZBZKXOCHQC-LBPRGKRZSA-N 1 1 316.367 3.382 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1OC ZINC000793232574 661015568 /nfs/dbraw/zinc/01/55/68/661015568.db2.gz YUPALNDFGJAHJW-MWLCHTKSSA-N 1 1 319.323 3.182 20 10 DGCDMO CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1CCC1 ZINC000793350274 661025823 /nfs/dbraw/zinc/02/58/23/661025823.db2.gz DCRWVVRGRYXXCK-UHFFFAOYSA-N 1 1 306.425 3.284 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@H+](CC1CC1)C1CCC1 ZINC000793395053 661030083 /nfs/dbraw/zinc/03/00/83/661030083.db2.gz PGYXQLKMBVVNFP-UHFFFAOYSA-N 1 1 300.446 3.288 20 10 DGCDMO CSCCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000306059184 655573616 /nfs/dbraw/zinc/57/36/16/655573616.db2.gz YLKGCECCQUHTRN-UHFFFAOYSA-N 1 1 301.839 3.433 20 10 DGCDMO CSCCC[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000306059184 655573617 /nfs/dbraw/zinc/57/36/17/655573617.db2.gz YLKGCECCQUHTRN-UHFFFAOYSA-N 1 1 301.839 3.433 20 10 DGCDMO Oc1ccc2ccccc2c1C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000795729793 661170274 /nfs/dbraw/zinc/17/02/74/661170274.db2.gz KNRASJPAKLJSSA-ZDUSSCGKSA-N 1 1 307.340 3.401 20 10 DGCDMO CCC(C)(C)OCC[NH2+]Cc1cccc(Br)c1O ZINC000308722080 655711590 /nfs/dbraw/zinc/71/15/90/655711590.db2.gz DRRXBZGMYJPFAX-UHFFFAOYSA-N 1 1 316.239 3.450 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000795999123 661184398 /nfs/dbraw/zinc/18/43/98/661184398.db2.gz HAFJZVBPOQZKRJ-UPJWGTAASA-N 1 1 322.405 3.471 20 10 DGCDMO C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(F)cc1O ZINC000320568449 655798956 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CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc2nccn21 ZINC000183443944 656112992 /nfs/dbraw/zinc/11/29/92/656112992.db2.gz FCDFPZXYKLFVFZ-UHFFFAOYSA-N 1 1 308.429 3.422 20 10 DGCDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000187992887 656142818 /nfs/dbraw/zinc/14/28/18/656142818.db2.gz CXXIPGMPMBGGCH-KRWDZBQOSA-N 1 1 303.377 3.221 20 10 DGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000313451552 656281766 /nfs/dbraw/zinc/28/17/66/656281766.db2.gz RXNLHDUUQLXBLM-HNNXBMFYSA-N 1 1 309.381 3.125 20 10 DGCDMO COc1ccc(O)c(CNC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000237204728 657378617 /nfs/dbraw/zinc/37/86/17/657378617.db2.gz SIHNIWUFIYAEQH-KDOFPFPSSA-N 1 1 306.450 3.001 20 10 DGCDMO CC(C)(C)C[C@H](O)C[NH2+]Cc1cccc(Br)c1O ZINC000227372434 659154068 /nfs/dbraw/zinc/15/40/68/659154068.db2.gz BYJXEYRZLRAUBP-NSHDSACASA-N 1 1 316.239 3.041 20 10 DGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000230299891 659323977 /nfs/dbraw/zinc/32/39/77/659323977.db2.gz FPJGXFZKYZGSCC-AWEZNQCLSA-N 1 1 314.223 3.156 20 10 DGCDMO CO[C@@]1(C)CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000230299903 659324328 /nfs/dbraw/zinc/32/43/28/659324328.db2.gz LKRCQHGLFUZLHH-AWEZNQCLSA-N 1 1 314.223 3.156 20 10 DGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000230299903 659324334 /nfs/dbraw/zinc/32/43/34/659324334.db2.gz LKRCQHGLFUZLHH-AWEZNQCLSA-N 1 1 314.223 3.156 20 10 DGCDMO CO[C@]1(C)CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000230299906 659324557 /nfs/dbraw/zinc/32/45/57/659324557.db2.gz LKRCQHGLFUZLHH-CQSZACIVSA-N 1 1 314.223 3.156 20 10 DGCDMO CO[C@]1(C)CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000230299906 659324560 /nfs/dbraw/zinc/32/45/60/659324560.db2.gz LKRCQHGLFUZLHH-CQSZACIVSA-N 1 1 314.223 3.156 20 10 DGCDMO COCCOC[C@H]1CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000173397734 659384237 /nfs/dbraw/zinc/38/42/37/659384237.db2.gz GPGQMOJRFOSVEA-INIZCTEOSA-N 1 1 321.461 3.309 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CCc3c(cccc3OC)C2)c1 ZINC000180782801 659970748 /nfs/dbraw/zinc/97/07/48/659970748.db2.gz 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OC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000093455412 662355408 /nfs/dbraw/zinc/35/54/08/662355408.db2.gz HSKCCAFIBSZVMA-INIZCTEOSA-N 1 1 303.789 3.137 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000093637865 662357581 /nfs/dbraw/zinc/35/75/81/662357581.db2.gz FNVMYWQYDMOFKN-NRFANRHFSA-N 1 1 322.452 3.427 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000093712976 662358853 /nfs/dbraw/zinc/35/88/53/662358853.db2.gz DCEJCGDTHFPRFB-OAQYLSRUSA-N 1 1 303.427 3.070 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000093757741 662359492 /nfs/dbraw/zinc/35/94/92/662359492.db2.gz SPEZCWCBXLIJFU-HNNXBMFYSA-N 1 1 320.433 3.190 20 10 DGCDMO CCC[C@@H](C[NH2+]Cc1cccc(Br)c1O)OC ZINC000378689563 685144681 /nfs/dbraw/zinc/14/46/81/685144681.db2.gz HLNVKGUGQQOCHB-NSHDSACASA-N 1 1 302.212 3.059 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000378951311 685146138 /nfs/dbraw/zinc/14/61/38/685146138.db2.gz HTXCXOPWJQOVRI-MJGOQNOKSA-N 1 1 301.478 3.249 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000378951311 685146142 /nfs/dbraw/zinc/14/61/42/685146142.db2.gz HTXCXOPWJQOVRI-MJGOQNOKSA-N 1 1 301.478 3.249 20 10 DGCDMO CC(C)OCCC[N@H+](C)Cc1cccc(Br)c1O ZINC000382794538 685164560 /nfs/dbraw/zinc/16/45/60/685164560.db2.gz IHIUAHXXRRBFJX-UHFFFAOYSA-N 1 1 316.239 3.402 20 10 DGCDMO CC(C)OCCC[N@@H+](C)Cc1cccc(Br)c1O ZINC000382794538 685164562 /nfs/dbraw/zinc/16/45/62/685164562.db2.gz IHIUAHXXRRBFJX-UHFFFAOYSA-N 1 1 316.239 3.402 20 10 DGCDMO Cc1cc(C)c(C[NH2+]Cc2cccc(Br)c2O)cn1 ZINC000396963469 685228915 /nfs/dbraw/zinc/22/89/15/685228915.db2.gz DPVSBQPBYSBMNE-UHFFFAOYSA-N 1 1 321.218 3.456 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](CN)C2CCCC2)cc1F ZINC001577699753 1191913038 /nfs/dbraw/zinc/91/30/38/1191913038.db2.gz XAAWBVWGGOZCQD-KRWDZBQOSA-N 1 1 307.457 3.279 20 10 DGCDMO Cc1cc(CN(C)C2CC[NH2+]CC2)ccc1N1CCCCC1 ZINC001579593126 1191981042 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COc1cccc(F)c1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001333874311 1178687737 /nfs/dbraw/zinc/68/77/37/1178687737.db2.gz AAHYIFVLEXROPM-UHFFFAOYSA-N 1 1 301.361 3.449 20 10 DGCDMO Cc1nnc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)s1 ZINC001335442034 1178910936 /nfs/dbraw/zinc/91/09/36/1178910936.db2.gz VKFXWYYNNBDKME-UHFFFAOYSA-N 1 1 316.474 3.373 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+](C)CC3CCCC3)cc2F)CC1 ZINC001341554131 1179028156 /nfs/dbraw/zinc/02/81/56/1179028156.db2.gz SUZVTWLOPGTODV-UHFFFAOYSA-N 1 1 319.468 3.200 20 10 DGCDMO C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352644 1179260619 /nfs/dbraw/zinc/26/06/19/1179260619.db2.gz BZTIGDVKMLVCCY-APWZRJJASA-N 1 1 301.478 3.059 20 10 DGCDMO C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352647 1179260948 /nfs/dbraw/zinc/26/09/48/1179260948.db2.gz BZTIGDVKMLVCCY-VQIMIIECSA-N 1 1 301.478 3.059 20 10 DGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(Cl)ccnc2F)c1 ZINC001621316338 1193008651 /nfs/dbraw/zinc/00/86/51/1193008651.db2.gz DTOFJRZWJJEPKU-SECBINFHSA-N 1 1 310.756 3.439 20 10 DGCDMO Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001461231064 1182783764 /nfs/dbraw/zinc/78/37/64/1182783764.db2.gz LPMNSTHNOMLFON-UHFFFAOYSA-N 1 1 311.788 3.260 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCC3(C)C)cc2)CC1 ZINC001461269680 1182790138 /nfs/dbraw/zinc/79/01/38/1182790138.db2.gz SDUKHJPNLKPBQE-GOSISDBHSA-N 1 1 301.478 3.107 20 10 DGCDMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)c(O)c1 ZINC001461977916 1182889135 /nfs/dbraw/zinc/88/91/35/1182889135.db2.gz UXTHAJVOMKYFHS-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]CCc1ccc(F)c(F)c1F ZINC001461989135 1182889315 /nfs/dbraw/zinc/88/93/15/1182889315.db2.gz DPFMNDUAUYFJBY-UHFFFAOYSA-N 1 1 317.257 3.420 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CCO1 ZINC001462005988 1182893816 /nfs/dbraw/zinc/89/38/16/1182893816.db2.gz AQDWCTWEIKGZCD-QGZVFWFLSA-N 1 1 322.452 3.470 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CCO1 ZINC001462005988 1182893823 /nfs/dbraw/zinc/89/38/23/1182893823.db2.gz AQDWCTWEIKGZCD-QGZVFWFLSA-N 1 1 322.452 3.470 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC001462031580 1182898399 /nfs/dbraw/zinc/89/83/99/1182898399.db2.gz FQAMJMNXHZREKT-UHFFFAOYSA-N 1 1 312.413 3.422 20 10 DGCDMO CC(C)[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CCCO1 ZINC001462286983 1182934085 /nfs/dbraw/zinc/93/40/85/1182934085.db2.gz VSUWPACEGMCDES-KRWDZBQOSA-N 1 1 312.404 3.278 20 10 DGCDMO CCOC(=O)CC[N@@H+](Cc1ccc(N(C)C)cc1C)C(C)C ZINC001462387051 1182945232 /nfs/dbraw/zinc/94/52/32/1182945232.db2.gz LUYZIBWQPSITPB-UHFFFAOYSA-N 1 1 306.450 3.225 20 10 DGCDMO COc1ccc(N(C)CC[N@@H+](C)CC2CCSCC2)cc1 ZINC001462406351 1182948913 /nfs/dbraw/zinc/94/89/13/1182948913.db2.gz UJVXUZDIRGRXRW-UHFFFAOYSA-N 1 1 308.491 3.206 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001462521128 1182963949 /nfs/dbraw/zinc/96/39/49/1182963949.db2.gz HWZALVIRWUQRAZ-NXEZZACHSA-N 1 1 301.814 3.370 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001462521128 1182963953 /nfs/dbraw/zinc/96/39/53/1182963953.db2.gz HWZALVIRWUQRAZ-NXEZZACHSA-N 1 1 301.814 3.370 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)cc1 ZINC001473800512 1183803889 /nfs/dbraw/zinc/80/38/89/1183803889.db2.gz MEEGUPVNXBACDK-ZDUSSCGKSA-N 1 1 304.381 3.232 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCS[C@H](C(F)(F)F)C2)cc1 ZINC001473800512 1183803891 /nfs/dbraw/zinc/80/38/91/1183803891.db2.gz MEEGUPVNXBACDK-ZDUSSCGKSA-N 1 1 304.381 3.232 20 10 DGCDMO CCN(CC)[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)c1ccco1 ZINC001473966168 1183840251 /nfs/dbraw/zinc/84/02/51/1183840251.db2.gz CJSJPDGWDPTKQB-OAHLLOKOSA-N 1 1 324.371 3.436 20 10 DGCDMO CC(C)[N@@H+]1CCC[C@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC001473988417 1183844234 /nfs/dbraw/zinc/84/42/34/1183844234.db2.gz DEKWFYXMIRZUDQ-LJQANCHMSA-N 1 1 315.505 3.497 20 10 DGCDMO CC(C)[N@H+]1CCC[C@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC001473988417 1183844242 /nfs/dbraw/zinc/84/42/42/1183844242.db2.gz 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1195989812 /nfs/dbraw/zinc/98/98/12/1195989812.db2.gz BEZOYSZVGUZBBO-CYBMUJFWSA-N 1 1 301.438 3.064 20 10 DGCDMO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C(C)C ZINC001656291408 1196027044 /nfs/dbraw/zinc/02/70/44/1196027044.db2.gz DLXDRLDMQZDIRH-UKRRQHHQSA-N 1 1 301.377 3.049 20 10 DGCDMO CC(C)c1nn(C)c(Cl)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001657031348 1196094819 /nfs/dbraw/zinc/09/48/19/1196094819.db2.gz YBOTYEVAXGGPRJ-UHFFFAOYSA-N 1 1 319.836 3.422 20 10 DGCDMO COC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1O)C(C)C ZINC001657247955 1196123854 /nfs/dbraw/zinc/12/38/54/1196123854.db2.gz UAZNPJCUAOUPQN-CYBMUJFWSA-N 1 1 316.239 3.224 20 10 DGCDMO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001657481160 1196147568 /nfs/dbraw/zinc/14/75/68/1196147568.db2.gz WOVAWPOKYQRPHL-PXNSSMCTSA-N 1 1 315.505 3.497 20 10 DGCDMO COc1cc(C)c(C[N@@H+]2CCOc3cccc(F)c3C2)c(O)c1 ZINC001657898213 1196191499 /nfs/dbraw/zinc/19/14/99/1196191499.db2.gz ZOAPUGFQIZXMIW-UHFFFAOYSA-N 1 1 317.360 3.243 20 10 DGCDMO 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VDAQJOSZEVGOCX-GFCCVEGCSA-N 1 1 314.832 3.395 20 10 DGCDMO COCC[N@@H+](Cc1ccccc1)Cc1c(C)cc(OC)cc1O ZINC001658697975 1196289356 /nfs/dbraw/zinc/28/93/56/1196289356.db2.gz JZOMWMIOSZDRNN-UHFFFAOYSA-N 1 1 315.413 3.358 20 10 DGCDMO CN(C)c1ccc(/C=C\CNCC[N@@H+]2CCC(C)(C)C2)cc1 ZINC001658741137 1196295161 /nfs/dbraw/zinc/29/51/61/1196295161.db2.gz DMQBOCCPOQXERK-WAYWQWQTSA-N 1 1 301.478 3.087 20 10 DGCDMO CN(C)c1ccc(/C=C\CNCC[N@H+]2CCC(C)(C)C2)cc1 ZINC001658741137 1196295165 /nfs/dbraw/zinc/29/51/65/1196295165.db2.gz DMQBOCCPOQXERK-WAYWQWQTSA-N 1 1 301.478 3.087 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]C[C@H]1CSc2ccccc2O1 ZINC001659535355 1196393059 /nfs/dbraw/zinc/39/30/59/1196393059.db2.gz UKSIKBUYXNMBBJ-NSHDSACASA-N 1 1 323.364 3.313 20 10 DGCDMO Oc1c(F)cccc1C[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC001659697430 1196406552 /nfs/dbraw/zinc/40/65/52/1196406552.db2.gz NOGRCEVZNZSOOH-INIZCTEOSA-N 1 1 323.371 3.494 20 10 DGCDMO Cc1cccc2c1C[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)CO2 ZINC001659710073 1196408027 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C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC[C@H]1C[NH3+] ZINC001205638612 1091292340 /nfs/dbraw/zinc/29/23/40/1091292340.db2.gz PYMHIKXTIDKSDM-NEPJUHHUSA-N 1 1 316.367 3.218 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CC1(C)C ZINC001202870062 1091357931 /nfs/dbraw/zinc/35/79/31/1091357931.db2.gz QVLMECRGUKZHQW-RBUKOAKNSA-N 1 1 315.505 3.353 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3C[C@@H](C)CC[C@H]3CN)c2c1 ZINC001205842027 1091375380 /nfs/dbraw/zinc/37/53/80/1091375380.db2.gz MCDSCPSZOVBWGZ-ZFWWWQNUSA-N 1 1 314.429 3.113 20 10 DGCDMO C[C@H]1CC[C@@H](CN)[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001205853342 1091379629 /nfs/dbraw/zinc/37/96/29/1091379629.db2.gz IAJDBOPJTLHIHW-ZFWWWQNUSA-N 1 1 316.445 3.136 20 10 DGCDMO C[C@H]1CC[C@@H](CN)[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001205853342 1091379641 /nfs/dbraw/zinc/37/96/41/1091379641.db2.gz IAJDBOPJTLHIHW-ZFWWWQNUSA-N 1 1 316.445 3.136 20 10 DGCDMO C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001205902237 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1 1 315.505 3.306 20 10 DGCDMO CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@@](F)(CN)C2)c1O ZINC001206360739 1091597189 /nfs/dbraw/zinc/59/71/89/1091597189.db2.gz AGRHZKLICGMJTH-GOSISDBHSA-N 1 1 308.441 3.343 20 10 DGCDMO CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@](F)(CN)C2)c1O ZINC001206360739 1091597199 /nfs/dbraw/zinc/59/71/99/1091597199.db2.gz AGRHZKLICGMJTH-GOSISDBHSA-N 1 1 308.441 3.343 20 10 DGCDMO NC[C@@]1(F)CCCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001206362729 1091600314 /nfs/dbraw/zinc/60/03/14/1091600314.db2.gz QDWPORNOAQJADO-SFHVURJKSA-N 1 1 302.393 3.198 20 10 DGCDMO NC[C@@]1(F)CCCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001206362729 1091600321 /nfs/dbraw/zinc/60/03/21/1091600321.db2.gz QDWPORNOAQJADO-SFHVURJKSA-N 1 1 302.393 3.198 20 10 DGCDMO COc1ncc(Cl)cc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001139751214 1091664278 /nfs/dbraw/zinc/66/42/78/1091664278.db2.gz YPFWHOWPTHSQBV-UHFFFAOYSA-N 1 1 319.836 3.442 20 10 DGCDMO COc1ncc(Cl)cc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001139751214 1091664281 /nfs/dbraw/zinc/66/42/81/1091664281.db2.gz YPFWHOWPTHSQBV-UHFFFAOYSA-N 1 1 319.836 3.442 20 10 DGCDMO Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)c1 ZINC001140060161 1091754632 /nfs/dbraw/zinc/75/46/32/1091754632.db2.gz NJNPCYPVBDSIGV-MRXNPFEDSA-N 1 1 316.376 3.278 20 10 DGCDMO Cc1ccc(C)c(CN2CCC([NH+]3CCCCC3)CC2)c1O ZINC001140181033 1091793889 /nfs/dbraw/zinc/79/38/89/1091793889.db2.gz UGFTXAOMISBHLU-UHFFFAOYSA-N 1 1 302.462 3.459 20 10 DGCDMO CC[C@@H]1[N@@H+](Cc2c(C)ccc(C)c2O)CCC[C@]12CCC(=O)N2 ZINC001140181387 1091794053 /nfs/dbraw/zinc/79/40/53/1091794053.db2.gz UBSOWTLBYMITRL-LPHOPBHVSA-N 1 1 316.445 3.032 20 10 DGCDMO Cc1ccc(C)c(C[N@H+]2CCN3CCc4ccccc4[C@@H]3C2)c1O ZINC001140184471 1091794745 /nfs/dbraw/zinc/79/47/45/1091794745.db2.gz VQHIVOFXQXAKMB-FQEVSTJZSA-N 1 1 322.452 3.424 20 10 DGCDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(C)ccc(C)c3O)C2)nc1 ZINC001140185227 1091795342 /nfs/dbraw/zinc/79/53/42/1091795342.db2.gz SUJAIDWAWXKUTM-MRXNPFEDSA-N 1 1 312.413 3.366 20 10 DGCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)c1O ZINC001140185033 1091795572 /nfs/dbraw/zinc/79/55/72/1091795572.db2.gz OPHGXQKUZBNVEJ-INIZCTEOSA-N 1 1 312.413 3.366 20 10 DGCDMO Cc1cccc2c1C[N@@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001140282885 1091814979 /nfs/dbraw/zinc/81/49/79/1091814979.db2.gz JCBKWGGVMOLXOK-UHFFFAOYSA-N 1 1 322.452 3.472 20 10 DGCDMO CC[NH+]1CCN(c2ccc(CN3CC[C@@H](C)[C@H](F)C3)cc2)CC1 ZINC001140302038 1091818868 /nfs/dbraw/zinc/81/88/68/1091818868.db2.gz IGZVEHCPQSSOQX-VQIMIIECSA-N 1 1 319.468 3.008 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001140344245 1091834781 /nfs/dbraw/zinc/83/47/81/1091834781.db2.gz GRNBQMONMBNGDG-AWEZNQCLSA-N 1 1 318.804 3.484 20 10 DGCDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3O)C2)no1 ZINC001140462588 1091877014 /nfs/dbraw/zinc/87/70/14/1091877014.db2.gz IXTDSZJTPQEREU-LBPRGKRZSA-N 1 1 307.781 3.117 20 10 DGCDMO CCc1noc([C@@H]2CCC[N@@H+](Cc3cc(C)ccc3O)C2)n1 ZINC001140623369 1091935217 /nfs/dbraw/zinc/93/52/17/1091935217.db2.gz 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ZINC001140747604 1091985863 /nfs/dbraw/zinc/98/58/63/1091985863.db2.gz GHMLEOMMCHYNQG-UHFFFAOYSA-N 1 1 304.777 3.013 20 10 DGCDMO COc1cccc([C@H]2CC[N@@H+](Cc3ccc(O)c(C)c3O)C2)c1 ZINC001140750021 1091986144 /nfs/dbraw/zinc/98/61/44/1091986144.db2.gz SOKVFLXKVPILTA-HNNXBMFYSA-N 1 1 313.397 3.404 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@](C)(CO)CC2)c(O)c1 ZINC001140850241 1092029981 /nfs/dbraw/zinc/02/99/81/1092029981.db2.gz HSZCAGSDEFKRBF-IBGZPJMESA-N 1 1 320.477 3.223 20 10 DGCDMO CCCO[C@H]1CC[N@@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140854889 1092030656 /nfs/dbraw/zinc/03/06/56/1092030656.db2.gz GEILQRKPVHKYFQ-KRWDZBQOSA-N 1 1 306.450 3.239 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c(O)c1 ZINC001140855557 1092031613 /nfs/dbraw/zinc/03/16/13/1092031613.db2.gz FDJBMUFQOGYFGD-LJQANCHMSA-N 1 1 318.461 3.241 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC(C)(C)C[C@@]2(C)CO)c(Cl)c1 ZINC001140922449 1092063034 /nfs/dbraw/zinc/06/30/34/1092063034.db2.gz RBUATCAPHMUZOD-KRWDZBQOSA-N 1 1 310.869 3.389 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140949504 1092075463 /nfs/dbraw/zinc/07/54/63/1092075463.db2.gz CEWUFFUONCXTBK-OAHLLOKOSA-N 1 1 305.418 3.254 20 10 DGCDMO Cc1ccc(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c(O)c1 ZINC001140953572 1092076653 /nfs/dbraw/zinc/07/66/53/1092076653.db2.gz CEZVYOHVZQEUFL-ICSRJNTNSA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1ccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(O)c1 ZINC001140953572 1092076658 /nfs/dbraw/zinc/07/66/58/1092076658.db2.gz CEZVYOHVZQEUFL-ICSRJNTNSA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(O)c1 ZINC001140953572 1092076664 /nfs/dbraw/zinc/07/66/64/1092076664.db2.gz CEZVYOHVZQEUFL-ICSRJNTNSA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1ccc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(O)c1 ZINC001140953587 1092076885 /nfs/dbraw/zinc/07/68/85/1092076885.db2.gz CLLXAMKYTJIRFB-HDICACEKSA-N 1 1 308.425 3.269 20 10 DGCDMO Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001140950821 1092078510 /nfs/dbraw/zinc/07/85/10/1092078510.db2.gz JXAOUHYDLICEJD-HNNXBMFYSA-N 1 1 305.418 3.397 20 10 DGCDMO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccc(C)cc3O)C2)c1 ZINC001140954237 1092080604 /nfs/dbraw/zinc/08/06/04/1092080604.db2.gz NSNCOOCOVJXASX-KRWDZBQOSA-N 1 1 312.413 3.447 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2c[nH]nc2C(F)(F)F)cc1 ZINC001141018031 1092107891 /nfs/dbraw/zinc/10/78/91/1092107891.db2.gz GHIZUSMUELLMOP-UHFFFAOYSA-N 1 1 312.339 3.127 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCc3sccc3C2)c(OC)c1 ZINC001141026354 1092111482 /nfs/dbraw/zinc/11/14/82/1092111482.db2.gz NGJKBIHVHFTHEH-UHFFFAOYSA-N 1 1 305.399 3.029 20 10 DGCDMO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)c(OC)c1 ZINC001141032182 1092112878 /nfs/dbraw/zinc/11/28/78/1092112878.db2.gz VBTAVXVCWLYGTB-OAHLLOKOSA-N 1 1 318.373 3.043 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2cc(C)on2)c(OC)c1 ZINC001141032182 1092112880 /nfs/dbraw/zinc/11/28/80/1092112880.db2.gz VBTAVXVCWLYGTB-OAHLLOKOSA-N 1 1 318.373 3.043 20 10 DGCDMO CCCCc1nc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c[nH]1 ZINC001141071376 1092127800 /nfs/dbraw/zinc/12/78/00/1092127800.db2.gz MDFHIVJLYYXSSQ-UHFFFAOYSA-N 1 1 300.450 3.450 20 10 DGCDMO CCCCc1nc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c[nH]1 ZINC001141071376 1092127809 /nfs/dbraw/zinc/12/78/09/1092127809.db2.gz MDFHIVJLYYXSSQ-UHFFFAOYSA-N 1 1 300.450 3.450 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC1=O ZINC001141074633 1092129832 /nfs/dbraw/zinc/12/98/32/1092129832.db2.gz OXRQOAGLJHIEHN-HNNXBMFYSA-N 1 1 312.457 3.186 20 10 DGCDMO CC[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)C1CCOCC1 ZINC001141075850 1092130256 /nfs/dbraw/zinc/13/02/56/1092130256.db2.gz COSSXGZTLFSYAU-UHFFFAOYSA-N 1 1 314.473 3.386 20 10 DGCDMO Cc1ccc(CCC[N@H+]2CCCc3cc(O)c(O)cc3C2)o1 ZINC001207951039 1092154776 /nfs/dbraw/zinc/15/47/76/1092154776.db2.gz SAQORHDGXALSPY-UHFFFAOYSA-N 1 1 301.386 3.380 20 10 DGCDMO Cc1ccc([C@]2(C)C[N@@H+](Cc3cc(O)ccc3O)CCO2)cc1 ZINC001141160787 1092155383 /nfs/dbraw/zinc/15/53/83/1092155383.db2.gz 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C[C@@H]1CN[C@@H](C)C[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001235449484 1099040725 /nfs/dbraw/zinc/04/07/25/1099040725.db2.gz ADMMLLMOLXPXFW-UONOGXRCSA-N 1 1 314.404 3.381 20 10 DGCDMO C[C@@H]1CN[C@@H](C)C[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001235449484 1099040735 /nfs/dbraw/zinc/04/07/35/1099040735.db2.gz ADMMLLMOLXPXFW-UONOGXRCSA-N 1 1 314.404 3.381 20 10 DGCDMO COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235681577 1099124271 /nfs/dbraw/zinc/12/42/71/1099124271.db2.gz ASELAOOWEHHXGK-HIFRSBDPSA-N 1 1 319.445 3.463 20 10 DGCDMO CC[N@H+]1C[C@H]2CN(Cc3ccc(C(C)(C)C)cc3O)C[C@H]2C1 ZINC001235680126 1099124996 /nfs/dbraw/zinc/12/49/96/1099124996.db2.gz ILZRRLTUAJLAFS-IYBDPMFKSA-N 1 1 302.462 3.073 20 10 DGCDMO CC[N@@H+]1C[C@H]2CN(Cc3ccc(C(C)(C)C)cc3O)C[C@H]2C1 ZINC001235680126 1099124998 /nfs/dbraw/zinc/12/49/98/1099124998.db2.gz ILZRRLTUAJLAFS-IYBDPMFKSA-N 1 1 302.462 3.073 20 10 DGCDMO CN(CC[C@H]1CCCC[NH2+]1)Cc1ccc(N2CCCC2)cc1 ZINC001235694726 1099132203 /nfs/dbraw/zinc/13/22/03/1099132203.db2.gz RTFZTVNNYVVCIO-GOSISDBHSA-N 1 1 301.478 3.251 20 10 DGCDMO Oc1c(CN2CCCC3(C[NH2+]C3)C2)cccc1-c1ccccc1 ZINC001235713739 1099141342 /nfs/dbraw/zinc/14/13/42/1099141342.db2.gz OPIAKUIVTFRMRV-UHFFFAOYSA-N 1 1 308.425 3.245 20 10 DGCDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC001180038984 1099288029 /nfs/dbraw/zinc/28/80/29/1099288029.db2.gz HIZJRBNTKCMPCG-GFCCVEGCSA-N 1 1 311.809 3.129 20 10 DGCDMO COc1cc(C)c(C[N@@H+]2CCOC[C@H]2c2ccccc2)c(O)c1 ZINC001180059304 1099296560 /nfs/dbraw/zinc/29/65/60/1099296560.db2.gz WWCBIHFLLZSMOR-SFHVURJKSA-N 1 1 313.397 3.283 20 10 DGCDMO COc1cc(C)c(C[N@H+]2CCOC[C@H]2c2ccccc2)c(O)c1 ZINC001180059304 1099296567 /nfs/dbraw/zinc/29/65/67/1099296567.db2.gz WWCBIHFLLZSMOR-SFHVURJKSA-N 1 1 313.397 3.283 20 10 DGCDMO Cc1cc(C)c(C[N@@H+]2CCNC[C@H]2c2cccs2)c(O)c1 ZINC001236114822 1099403635 /nfs/dbraw/zinc/40/36/35/1099403635.db2.gz CACXIRGCFBRNKP-HNNXBMFYSA-N 1 1 302.443 3.217 20 10 DGCDMO Cc1cc(C)c(C[N@H+]2CCNC[C@H]2c2cccs2)c(O)c1 ZINC001236114822 1099403638 /nfs/dbraw/zinc/40/36/38/1099403638.db2.gz CACXIRGCFBRNKP-HNNXBMFYSA-N 1 1 302.443 3.217 20 10 DGCDMO CCCC[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2O)CCN1 ZINC001236136085 1099422921 /nfs/dbraw/zinc/42/29/21/1099422921.db2.gz DNOKMTFFSZLTBV-QGZVFWFLSA-N 1 1 319.493 3.202 20 10 DGCDMO CCCC[C@@H]1C[N@@H+](Cc2ccc(N(CC)CC)cc2O)CCN1 ZINC001236136085 1099422928 /nfs/dbraw/zinc/42/29/28/1099422928.db2.gz DNOKMTFFSZLTBV-QGZVFWFLSA-N 1 1 319.493 3.202 20 10 DGCDMO [O-]c1ccc(F)cc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374160 1099559024 /nfs/dbraw/zinc/55/90/24/1099559024.db2.gz PHZXREKKXCVAOK-CQSZACIVSA-N 1 1 306.425 3.276 20 10 DGCDMO [O-]c1ccc(F)cc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374160 1099559038 /nfs/dbraw/zinc/55/90/38/1099559038.db2.gz PHZXREKKXCVAOK-CQSZACIVSA-N 1 1 306.425 3.276 20 10 DGCDMO Cc1cc(Cl)cc(CN(C[C@@H]2CCC[NH2+]C2)C2CC2)c1O ZINC001236602548 1099697632 /nfs/dbraw/zinc/69/76/32/1099697632.db2.gz XDSREZDMOFSLRB-CYBMUJFWSA-N 1 1 308.853 3.318 20 10 DGCDMO CCC[N@H+](CCOC)Cc1cc(C)cc(Br)c1O ZINC001236673810 1099737116 /nfs/dbraw/zinc/73/71/16/1099737116.db2.gz OUNWUIRJSGVKHO-UHFFFAOYSA-N 1 1 316.239 3.322 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001236666719 1099732515 /nfs/dbraw/zinc/73/25/15/1099732515.db2.gz UPGDYJJROGVPST-XHVZSJERSA-N 1 1 314.198 3.395 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001236666719 1099732517 /nfs/dbraw/zinc/73/25/17/1099732517.db2.gz UPGDYJJROGVPST-XHVZSJERSA-N 1 1 314.198 3.395 20 10 DGCDMO CCC[N@@H+](CCOC)Cc1cc(C)cc(Br)c1O ZINC001236673810 1099737128 /nfs/dbraw/zinc/73/71/28/1099737128.db2.gz OUNWUIRJSGVKHO-UHFFFAOYSA-N 1 1 316.239 3.322 20 10 DGCDMO COc1cc(C[NH+]2CCC(F)CC2)c(O)cc1Br ZINC001236745427 1099770355 /nfs/dbraw/zinc/77/03/55/1099770355.db2.gz OQVIECATODSSEZ-UHFFFAOYSA-N 1 1 318.186 3.097 20 10 DGCDMO Oc1cc(C[N@@H+](CC2CC2)C2CC2)c(O)cc1Br ZINC001236762982 1099774753 /nfs/dbraw/zinc/77/47/53/1099774753.db2.gz SXSIUSZRYLLUSJ-UHFFFAOYSA-N 1 1 312.207 3.235 20 10 DGCDMO C[N@@H+](Cc1cc(O)c(Br)cc1O)CC(C)(C)C ZINC001236774988 1099778736 /nfs/dbraw/zinc/77/87/36/1099778736.db2.gz JNRHROPEJDCKGN-UHFFFAOYSA-N 1 1 302.212 3.338 20 10 DGCDMO C[C@]1(O)CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236794984 1099792026 /nfs/dbraw/zinc/79/20/26/1099792026.db2.gz YWGNMUILFHPGCP-AWEZNQCLSA-N 1 1 304.217 3.436 20 10 DGCDMO C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236794984 1099792034 /nfs/dbraw/zinc/79/20/34/1099792034.db2.gz YWGNMUILFHPGCP-AWEZNQCLSA-N 1 1 304.217 3.436 20 10 DGCDMO C[N@@H+](Cc1cc(OCc2ccccc2)ccc1O)[C@H]1CCOC1 ZINC001236781332 1099780349 /nfs/dbraw/zinc/78/03/49/1099780349.db2.gz BIWMRXNQUIMWNR-KRWDZBQOSA-N 1 1 313.397 3.192 20 10 DGCDMO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001236793585 1099787306 /nfs/dbraw/zinc/78/73/06/1099787306.db2.gz LPLCBZHOGRDYGA-KOLCDFICSA-N 1 1 302.201 3.167 20 10 DGCDMO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001236793585 1099787312 /nfs/dbraw/zinc/78/73/12/1099787312.db2.gz LPLCBZHOGRDYGA-KOLCDFICSA-N 1 1 302.201 3.167 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC001236797598 1099791633 /nfs/dbraw/zinc/79/16/33/1099791633.db2.gz HXOAOOPMRTVKQX-BZNIZROVSA-N 1 1 311.809 3.055 20 10 DGCDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(CC)cc2O)[C@@H]1C ZINC001236795511 1099791731 /nfs/dbraw/zinc/79/17/31/1099791731.db2.gz VTRBOGKGLNIXKV-CJNGLKHVSA-N 1 1 305.418 3.118 20 10 DGCDMO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cnccn2)c(Cl)c1 ZINC001236800867 1099793481 /nfs/dbraw/zinc/79/34/81/1099793481.db2.gz BWJGHEYWBFUBPJ-HNNXBMFYSA-N 1 1 319.792 3.181 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2cnccn2)c(Cl)c1 ZINC001236800867 1099793487 /nfs/dbraw/zinc/79/34/87/1099793487.db2.gz BWJGHEYWBFUBPJ-HNNXBMFYSA-N 1 1 319.792 3.181 20 10 DGCDMO Oc1cc(Cl)c(Cl)cc1C[NH+]1CCC2(CCO2)CC1 ZINC001236799583 1099794274 /nfs/dbraw/zinc/79/42/74/1099794274.db2.gz PDHNPMWTDVZLIY-UHFFFAOYSA-N 1 1 302.201 3.454 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)CCc2ccccc2OC)c(O)c1 ZINC001236810935 1099798508 /nfs/dbraw/zinc/79/85/08/1099798508.db2.gz LFZCPDVCBGUVFR-UHFFFAOYSA-N 1 1 315.413 3.392 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(Cl)nc2)c(O)c1 ZINC001236811661 1099803863 /nfs/dbraw/zinc/80/38/63/1099803863.db2.gz VIFJGPMXZBJXRB-UHFFFAOYSA-N 1 1 306.793 3.390 20 10 DGCDMO COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236830789 1099817715 /nfs/dbraw/zinc/81/77/15/1099817715.db2.gz CONONIWTOBALCI-SUMWQHHRSA-N 1 1 313.397 3.176 20 10 DGCDMO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236830779 1099818291 /nfs/dbraw/zinc/81/82/91/1099818291.db2.gz CONONIWTOBALCI-CXAGYDPISA-N 1 1 313.397 3.176 20 10 DGCDMO CCC[N@H+](CC(=O)OCC)Cc1cc2ccccc2cc1O ZINC001236837769 1099824554 /nfs/dbraw/zinc/82/45/54/1099824554.db2.gz UJQBZLJJRSGWTH-UHFFFAOYSA-N 1 1 301.386 3.321 20 10 DGCDMO CCC[N@@H+](CC(=O)OCC)Cc1cc2ccccc2cc1O ZINC001236837769 1099824561 /nfs/dbraw/zinc/82/45/61/1099824561.db2.gz UJQBZLJJRSGWTH-UHFFFAOYSA-N 1 1 301.386 3.321 20 10 DGCDMO C[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2F)[C@H](C)C1 ZINC001236939668 1099881786 /nfs/dbraw/zinc/88/17/86/1099881786.db2.gz UCWBWXHQKIBNIK-HZPDHXFCSA-N 1 1 319.468 3.198 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2F)[C@H](C)C1 ZINC001236939668 1099881794 /nfs/dbraw/zinc/88/17/94/1099881794.db2.gz UCWBWXHQKIBNIK-HZPDHXFCSA-N 1 1 319.468 3.198 20 10 DGCDMO CN1CCN(c2ccc(C[N@H+](C)C[C@@H]3CC3(C)C)c(F)c2)CC1 ZINC001236943016 1099884888 /nfs/dbraw/zinc/88/48/88/1099884888.db2.gz PANKBJXUUYUJNU-INIZCTEOSA-N 1 1 319.468 3.055 20 10 DGCDMO CN1CCN(c2ccc(C[N@@H+](C)C[C@@H]3CC3(C)C)c(F)c2)CC1 ZINC001236943016 1099884899 /nfs/dbraw/zinc/88/48/99/1099884899.db2.gz PANKBJXUUYUJNU-INIZCTEOSA-N 1 1 319.468 3.055 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)CCc2cccc(OC)c2)c(O)c1 ZINC001237042023 1099938565 /nfs/dbraw/zinc/93/85/65/1099938565.db2.gz CTBHFRQHMSGUKE-UHFFFAOYSA-N 1 1 315.413 3.474 20 10 DGCDMO CC(C)c1ccc(C[N@H+]2CCCC[C@]23CC(=O)N(C)C3)c(O)c1 ZINC001237052263 1099945022 /nfs/dbraw/zinc/94/50/22/1099945022.db2.gz SQSTXUIOTBPDBZ-LJQANCHMSA-N 1 1 316.445 3.102 20 10 DGCDMO Cc1noc([C@H]2CC[N@H+](Cc3ccc(C(C)C)cc3O)C2)n1 ZINC001237054704 1099946394 /nfs/dbraw/zinc/94/63/94/1099946394.db2.gz DTOCVAFSPTYYAM-HNNXBMFYSA-N 1 1 301.390 3.197 20 10 DGCDMO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C(C)C)cc1O)C2 ZINC001237054748 1099946992 /nfs/dbraw/zinc/94/69/92/1099946992.db2.gz GBYFRZLLDHVMOH-XKQJLSEDSA-N 1 1 317.429 3.289 20 10 DGCDMO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237053221 1099948481 /nfs/dbraw/zinc/94/84/81/1099948481.db2.gz IESGPXIGFUFFOC-MWLCHTKSSA-N 1 1 307.287 3.266 20 10 DGCDMO Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001237057325 1099949869 /nfs/dbraw/zinc/94/98/69/1099949869.db2.gz BGCWQUGCTVWYFR-CMPLNLGQSA-N 1 1 301.308 3.318 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c(Br)c1 ZINC001237070449 1099952648 /nfs/dbraw/zinc/95/26/48/1099952648.db2.gz MLASSJKMGDCLDA-RNCFNFMXSA-N 1 1 312.207 3.148 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CC[C@@H]1O ZINC001237138148 1099988058 /nfs/dbraw/zinc/98/80/58/1099988058.db2.gz UGJHXSUKRYAUTN-GWCFXTLKSA-N 1 1 303.324 3.004 20 10 DGCDMO CC(C)[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2O)CCO1 ZINC001237138981 1099988590 /nfs/dbraw/zinc/98/85/90/1099988590.db2.gz ARXWDOQXDLSAKH-CQSZACIVSA-N 1 1 303.324 3.268 20 10 DGCDMO CC(C)[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CCO1 ZINC001237138981 1099988599 /nfs/dbraw/zinc/98/85/99/1099988599.db2.gz ARXWDOQXDLSAKH-CQSZACIVSA-N 1 1 303.324 3.268 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CC[C@H]1O ZINC001237138149 1099989093 /nfs/dbraw/zinc/98/90/93/1099989093.db2.gz UGJHXSUKRYAUTN-GXFFZTMASA-N 1 1 303.324 3.004 20 10 DGCDMO CCc1noc([C@H]2CCC[N@@H+](Cc3c(C)cccc3O)C2)n1 ZINC001237487755 1100141525 /nfs/dbraw/zinc/14/15/25/1100141525.db2.gz MUKNHMYYGZUQEJ-ZDUSSCGKSA-N 1 1 301.390 3.026 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001237492250 1100143853 /nfs/dbraw/zinc/14/38/53/1100143853.db2.gz TZWYFXQEZULJFQ-IRXDYDNUSA-N 1 1 306.425 3.099 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001237492250 1100143857 /nfs/dbraw/zinc/14/38/57/1100143857.db2.gz TZWYFXQEZULJFQ-IRXDYDNUSA-N 1 1 306.425 3.099 20 10 DGCDMO COC[C@@H]1CC[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237649962 1100203528 /nfs/dbraw/zinc/20/35/28/1100203528.db2.gz ORTVUWBMAZBKGS-KRWDZBQOSA-N 1 1 301.361 3.419 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@H](C)C(F)(F)CC2)c(O)c(OC)c1 ZINC001237675614 1100210070 /nfs/dbraw/zinc/21/00/70/1100210070.db2.gz YYMDMSBEYQSZLJ-NSHDSACASA-N 1 1 315.360 3.277 20 10 DGCDMO COc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C)c(O)c(OC)c1 ZINC001237681631 1100211725 /nfs/dbraw/zinc/21/17/25/1100211725.db2.gz RCKJMHODRYWQAW-CYBMUJFWSA-N 1 1 313.397 3.356 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC001237681714 1100211863 /nfs/dbraw/zinc/21/18/63/1100211863.db2.gz PWJIRCHSMQTQRX-ZDUSSCGKSA-N 1 1 323.742 3.101 20 10 DGCDMO Cc1cc(Cl)cc(CN2CCN(c3cc[nH+]cc3)CC2)c1O ZINC001237681429 1100212899 /nfs/dbraw/zinc/21/28/99/1100212899.db2.gz PUKUWMZRBYSWPB-UHFFFAOYSA-N 1 1 317.820 3.071 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2cnccn2)c1O ZINC001237686463 1100213878 /nfs/dbraw/zinc/21/38/78/1100213878.db2.gz IYABFFKTVFKZMC-OAHLLOKOSA-N 1 1 303.793 3.481 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c1O ZINC001237687194 1100214814 /nfs/dbraw/zinc/21/48/14/1100214814.db2.gz VBCDWQFWKYZPED-TXEJJXNPSA-N 1 1 317.763 3.068 20 10 DGCDMO C[N@@H+]1CCN(Cc2cc(F)cc(Cl)c2O)C2(CCCC2)C1 ZINC001237800896 1100251666 /nfs/dbraw/zinc/25/16/66/1100251666.db2.gz DFXADUXYZMBWAQ-UHFFFAOYSA-N 1 1 312.816 3.245 20 10 DGCDMO C[N@H+]1CCN(Cc2cc(F)cc(Cl)c2O)C2(CCCC2)C1 ZINC001237800896 1100251671 /nfs/dbraw/zinc/25/16/71/1100251671.db2.gz DFXADUXYZMBWAQ-UHFFFAOYSA-N 1 1 312.816 3.245 20 10 DGCDMO CCc1ncc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)s1 ZINC001237829158 1100261793 /nfs/dbraw/zinc/26/17/93/1100261793.db2.gz RLJGGTQDUXHTQL-UHFFFAOYSA-N 1 1 304.415 3.065 20 10 DGCDMO CCc1ncc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)s1 ZINC001237829158 1100261800 /nfs/dbraw/zinc/26/18/00/1100261800.db2.gz RLJGGTQDUXHTQL-UHFFFAOYSA-N 1 1 304.415 3.065 20 10 DGCDMO CCC[N@@H+](Cc1cc(F)cc(C)c1O)C1CCN(C(C)=O)CC1 ZINC001238066069 1100347678 /nfs/dbraw/zinc/34/76/78/1100347678.db2.gz DWBFXHJSQVALRZ-UHFFFAOYSA-N 1 1 322.424 3.063 20 10 DGCDMO Cc1cc(F)cc(C[N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)c1O ZINC001238066699 1100347766 /nfs/dbraw/zinc/34/77/66/1100347766.db2.gz JBNIKOZHWLZMGK-CYBMUJFWSA-N 1 1 323.408 3.393 20 10 DGCDMO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc(C)c3O)C2)n1 ZINC001238066221 1100348275 /nfs/dbraw/zinc/34/82/75/1100348275.db2.gz JTFSKXOHHZFANE-MRXNPFEDSA-N 1 1 316.376 3.196 20 10 DGCDMO Cc1cc(F)cc(CN(C)CC[N@@H+](C)Cc2ccccc2)c1O ZINC001238066003 1100349408 /nfs/dbraw/zinc/34/94/08/1100349408.db2.gz GYSZRXRQOLLKSS-UHFFFAOYSA-N 1 1 316.420 3.404 20 10 DGCDMO Cc1cc(F)cc(C[N@@H+](C)CCN(C)Cc2ccccc2)c1O ZINC001238066003 1100349416 /nfs/dbraw/zinc/34/94/16/1100349416.db2.gz GYSZRXRQOLLKSS-UHFFFAOYSA-N 1 1 316.420 3.404 20 10 DGCDMO Cc1cc(F)cc(C[N@H+](C)CCN(C)Cc2ccccc2)c1O ZINC001238066003 1100349423 /nfs/dbraw/zinc/34/94/23/1100349423.db2.gz GYSZRXRQOLLKSS-UHFFFAOYSA-N 1 1 316.420 3.404 20 10 DGCDMO C[N@@H+](CCC[NH2+]Cc1cc(F)cc(F)c1[O-])C1CCCCC1 ZINC001198918105 1102026064 /nfs/dbraw/zinc/02/60/64/1102026064.db2.gz HJWVGZDTEXZIIB-UHFFFAOYSA-N 1 1 312.404 3.415 20 10 DGCDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000691732325 1102085342 /nfs/dbraw/zinc/08/53/42/1102085342.db2.gz FRDBODPZBLYCAO-AWEZNQCLSA-N 1 1 314.223 3.013 20 10 DGCDMO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001199678539 1102181656 /nfs/dbraw/zinc/18/16/56/1102181656.db2.gz OEQPOBURIVBTOB-ZACQAIPSSA-N 1 1 316.489 3.468 20 10 DGCDMO C[C@H](NCc1ccc2c(c1)CCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001201947405 1102767393 /nfs/dbraw/zinc/76/73/93/1102767393.db2.gz XUVGCJNACXVNIA-MAUKXSAKSA-N 1 1 314.473 3.364 20 10 DGCDMO C[C@H](NCc1ccc2c(c1)CCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001201947405 1102767404 /nfs/dbraw/zinc/76/74/04/1102767404.db2.gz XUVGCJNACXVNIA-MAUKXSAKSA-N 1 1 314.473 3.364 20 10 DGCDMO C[N@@H+](CCCC(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC001202415333 1102974467 /nfs/dbraw/zinc/97/44/67/1102974467.db2.gz JDLXRXLMQDNADA-UHFFFAOYSA-N 1 1 316.367 3.298 20 10 DGCDMO CC(C)[C@@]1(CO)CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001326636959 1103393208 /nfs/dbraw/zinc/39/32/08/1103393208.db2.gz LCCUILCKNQPZJW-UEKDZROGSA-N 1 1 302.462 3.106 20 10 DGCDMO Cc1cc(C)c(CN2CC3(CC[N@H+]3C3CCCC3)C2)c(O)c1 ZINC001276364826 1103558350 /nfs/dbraw/zinc/55/83/50/1103558350.db2.gz GDSUTPFUXJQERH-UHFFFAOYSA-N 1 1 300.446 3.212 20 10 DGCDMO Cc1cc(C)c(C[NH+]2CC3(CCN3C3CCCC3)C2)c(O)c1 ZINC001276364826 1103558357 /nfs/dbraw/zinc/55/83/57/1103558357.db2.gz GDSUTPFUXJQERH-UHFFFAOYSA-N 1 1 300.446 3.212 20 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432343920 /nfs/dbraw/zinc/34/39/20/432343920.db2.gz IRRZOYMYPLZWHQ-HNNXBMFYSA-N 1 1 324.424 3.112 20 10 DGCDMO C[N@@H+](CCSc1ncc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000192553477 432386585 /nfs/dbraw/zinc/38/65/85/432386585.db2.gz QLRGVEONYPJRTF-UHFFFAOYSA-N 1 1 309.416 3.275 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@H](CCO)c2ccco2)cc1F ZINC000184503276 432397586 /nfs/dbraw/zinc/39/75/86/432397586.db2.gz IYERYSMBGSUVNG-MRXNPFEDSA-N 1 1 320.408 3.478 20 10 DGCDMO C[C@H]([NH2+]Cc1cnn(C)c1)c1cc(Cl)c(Cl)cc1O ZINC000192720982 432404857 /nfs/dbraw/zinc/40/48/57/432404857.db2.gz RJCXILQNYFWRML-QMMMGPOBSA-N 1 1 300.189 3.283 20 10 DGCDMO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)[nH]1 ZINC000271586607 432421330 /nfs/dbraw/zinc/42/13/30/432421330.db2.gz XOUQQNOJPFVACF-OLZOCXBDSA-N 1 1 301.438 3.406 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2ccccc2O)c1O ZINC000184681854 432421333 /nfs/dbraw/zinc/42/13/33/432421333.db2.gz COAYXCLBISJBKI-UHFFFAOYSA-N 1 1 307.777 3.392 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3c(c2)ncn3C)cc1 ZINC000271799154 432424156 /nfs/dbraw/zinc/42/41/56/432424156.db2.gz KZBVURYVRCOIPE-UHFFFAOYSA-N 1 1 308.429 3.271 20 10 DGCDMO CCC[N@@H+](Cc1cc(OC)ccc1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000271881335 432425760 /nfs/dbraw/zinc/42/57/60/432425760.db2.gz VCMIBZOWTZOLPB-CGTJXYLNSA-N 1 1 319.445 3.426 20 10 DGCDMO Cc1ccc(O)c([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000185206446 432477258 /nfs/dbraw/zinc/47/72/58/432477258.db2.gz NBPPNTJKIWOKNP-BBWFWOEESA-N 1 1 320.477 3.241 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000185468351 432502864 /nfs/dbraw/zinc/50/28/64/432502864.db2.gz KZDQPTDBDSDKBH-DINDLPBHSA-N 1 1 307.340 3.443 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1 ZINC000185580032 432511058 /nfs/dbraw/zinc/51/10/58/432511058.db2.gz QAIGFFZDLVCADZ-OAHLLOKOSA-N 1 1 305.418 3.254 20 10 DGCDMO COc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)c1OC ZINC000185076839 432463004 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C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000178254481 432712135 /nfs/dbraw/zinc/71/21/35/432712135.db2.gz BAGBICGNSUNGJJ-OAHLLOKOSA-N 1 1 301.478 3.278 20 10 DGCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1O ZINC000276013978 432766734 /nfs/dbraw/zinc/76/67/34/432766734.db2.gz QFNUTGVLLAYGKT-SFHVURJKSA-N 1 1 302.462 3.270 20 10 DGCDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)[nH]1 ZINC000277223590 432831228 /nfs/dbraw/zinc/83/12/28/432831228.db2.gz LMUYZDXPLXFUND-TUAOUCFPSA-N 1 1 318.421 3.444 20 10 DGCDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)[nH]1 ZINC000277223587 432831748 /nfs/dbraw/zinc/83/17/48/432831748.db2.gz LMUYZDXPLXFUND-SRVKXCTJSA-N 1 1 318.421 3.444 20 10 DGCDMO Oc1ccccc1C[N@@H+](C[C@H]1CCSC1)C[C@@H]1CCCO1 ZINC000278392291 432893286 /nfs/dbraw/zinc/89/32/86/432893286.db2.gz AIXXADAQSIIVRB-ZBFHGGJFSA-N 1 1 307.459 3.126 20 10 DGCDMO Cc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296353160 432899907 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ZINC000131302720 524004877 /nfs/dbraw/zinc/00/48/77/524004877.db2.gz DVXVRHAVUZLETI-UHFFFAOYSA-N 1 1 307.777 3.392 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2c(O)cccc2Cl)cc1O ZINC000131302720 524004882 /nfs/dbraw/zinc/00/48/82/524004882.db2.gz DVXVRHAVUZLETI-UHFFFAOYSA-N 1 1 307.777 3.392 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000179854560 524749295 /nfs/dbraw/zinc/74/92/95/524749295.db2.gz JJBCUCGEYURNRL-IFXJQAMLSA-N 1 1 313.397 3.363 20 10 DGCDMO Nc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000238001326 527493017 /nfs/dbraw/zinc/49/30/17/527493017.db2.gz DCDWYEXACMUDMK-QGZVFWFLSA-N 1 1 313.376 3.011 20 10 DGCDMO Nc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000238001326 527493021 /nfs/dbraw/zinc/49/30/21/527493021.db2.gz DCDWYEXACMUDMK-QGZVFWFLSA-N 1 1 313.376 3.011 20 10 DGCDMO CC[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(F)cc1O ZINC000286299429 535908710 /nfs/dbraw/zinc/90/87/10/535908710.db2.gz WPLBYIHJPAHRTI-PBHICJAKSA-N 1 1 303.377 3.348 20 10 DGCDMO 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CO[C@H](C)C[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C ZINC000750048980 575699737 /nfs/dbraw/zinc/69/97/37/575699737.db2.gz QIBBKYXSNNDUTF-LLVKDONJSA-N 1 1 313.825 3.494 20 10 DGCDMO CCCCC[N@@H+](CCO)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000750047397 575700116 /nfs/dbraw/zinc/70/01/16/575700116.db2.gz PSGWXBIOYHYGBK-UHFFFAOYSA-N 1 1 313.825 3.233 20 10 DGCDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000751605003 575792925 /nfs/dbraw/zinc/79/29/25/575792925.db2.gz NTJJEGMGRFCIRP-CJNGLKHVSA-N 1 1 311.381 3.499 20 10 DGCDMO COC[C@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000739868798 576038290 /nfs/dbraw/zinc/03/82/90/576038290.db2.gz FMHUFPFTOSLMKM-ZDUSSCGKSA-N 1 1 301.386 3.022 20 10 DGCDMO CCN(CC)c1ccc(CNCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000727644167 576135364 /nfs/dbraw/zinc/13/53/64/576135364.db2.gz ZAFTXXCDFUSRHD-KRWDZBQOSA-N 1 1 303.494 3.354 20 10 DGCDMO CCN(CC)c1ccc(CNCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000727644167 576135366 /nfs/dbraw/zinc/13/53/66/576135366.db2.gz 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ZINC000891466830 617809609 /nfs/dbraw/zinc/80/96/09/617809609.db2.gz YJUMOXVLXDQNDV-UHFFFAOYSA-N 1 1 317.385 3.050 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](CCOCC(F)(F)F)C2CC2)cc1 ZINC000919770502 620765352 /nfs/dbraw/zinc/76/53/52/620765352.db2.gz GVFIGBFFVZPUKK-UHFFFAOYSA-N 1 1 316.367 3.296 20 10 DGCDMO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000840889247 618141074 /nfs/dbraw/zinc/14/10/74/618141074.db2.gz FRMJOAALPSYFBA-RKDXNWHRSA-N 1 1 319.232 3.263 20 10 DGCDMO Cc1ccc([C@@H](C)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c(O)c1 ZINC000854222964 620785638 /nfs/dbraw/zinc/78/56/38/620785638.db2.gz PQQNJNXDSQAFCT-ATZDWAIDSA-N 1 1 310.441 3.497 20 10 DGCDMO CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000854230452 620786685 /nfs/dbraw/zinc/78/66/85/620786685.db2.gz QJNPUFVTOIJRHB-GXFFZTMASA-N 1 1 315.255 3.179 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](n3ccnc3)C2)c(Cl)c1 ZINC000840914221 618527655 /nfs/dbraw/zinc/52/76/55/618527655.db2.gz RKXJSVVDMJONLN-ZDUSSCGKSA-N 1 1 305.809 3.388 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@H](C)C3(CCC3)C2)c(O)c1OC ZINC000893438334 618557282 /nfs/dbraw/zinc/55/72/82/618557282.db2.gz ZLFXYBUVCJSZGI-ZDUSSCGKSA-N 1 1 305.418 3.422 20 10 DGCDMO COc1cc(C)cc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1O ZINC000895273195 618585699 /nfs/dbraw/zinc/58/56/99/618585699.db2.gz JBCFKWPTWYPBPM-MRXNPFEDSA-N 1 1 318.461 3.206 20 10 DGCDMO COc1cc(C)cc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)c1O ZINC000895273195 618585701 /nfs/dbraw/zinc/58/57/01/618585701.db2.gz JBCFKWPTWYPBPM-MRXNPFEDSA-N 1 1 318.461 3.206 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc2c(cc1O)CCCC2 ZINC000925780797 618618252 /nfs/dbraw/zinc/61/82/52/618618252.db2.gz GZLCINGRXBCCJU-DOMZBBRYSA-N 1 1 324.415 3.166 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000840948723 618620823 /nfs/dbraw/zinc/62/08/23/618620823.db2.gz ICMZKANKRQSWJM-LJQANCHMSA-N 1 1 304.478 3.292 20 10 DGCDMO Oc1c(F)cc(F)cc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000893986240 618690112 /nfs/dbraw/zinc/69/01/12/618690112.db2.gz ITYNAGWAZWKROO-UHFFFAOYSA-N 1 1 310.388 3.121 20 10 DGCDMO Oc1c(F)cc(F)cc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000893986240 618690113 /nfs/dbraw/zinc/69/01/13/618690113.db2.gz ITYNAGWAZWKROO-UHFFFAOYSA-N 1 1 310.388 3.121 20 10 DGCDMO COc1cc(C)cc(C[N@@H+](CCCO)Cc2ccccc2)c1O ZINC000894004133 618692791 /nfs/dbraw/zinc/69/27/91/618692791.db2.gz YLZXJOHNEXGEEL-UHFFFAOYSA-N 1 1 315.413 3.094 20 10 DGCDMO COc1ccc(C[NH2+]CC(F)(F)C(C)(C)C)c(O)c1OC ZINC000895461580 618787321 /nfs/dbraw/zinc/78/73/21/618787321.db2.gz SBCLFLFBYOMOAG-UHFFFAOYSA-N 1 1 303.349 3.180 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000895583587 618802448 /nfs/dbraw/zinc/80/24/48/618802448.db2.gz LXNVFEVPFXPWCS-GFCCVEGCSA-N 1 1 304.415 3.237 20 10 DGCDMO CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1CCCOC1 ZINC000895662195 618813881 /nfs/dbraw/zinc/81/38/81/618813881.db2.gz BSDVUESFIIUWKO-IINYFYTJSA-N 1 1 301.789 3.480 20 10 DGCDMO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2Cc3cccc(O)c3C2)C1 ZINC000895786142 618830457 /nfs/dbraw/zinc/83/04/57/618830457.db2.gz YZNAXUIRZVCYDZ-XBXGTLAGSA-N 1 1 318.417 3.011 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1F ZINC000895846423 618841368 /nfs/dbraw/zinc/84/13/68/618841368.db2.gz UBKFKXDIUAGFLR-YVEFUNNKSA-N 1 1 310.388 3.032 20 10 DGCDMO Cn1ccc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000896494145 618920240 /nfs/dbraw/zinc/92/02/40/618920240.db2.gz ZSHGNHGWFNPQQV-NSHDSACASA-N 1 1 323.799 3.298 20 10 DGCDMO Oc1cccc(F)c1C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000896637890 618939785 /nfs/dbraw/zinc/93/97/85/618939785.db2.gz QLKYMSNAORDGGV-UHFFFAOYSA-N 1 1 320.330 3.038 20 10 DGCDMO CCOc1cc(C[NH2+]Cc2c(O)cccc2F)ccc1OC ZINC000896641329 618940385 /nfs/dbraw/zinc/94/03/85/618940385.db2.gz QIROOABNCVHKOC-UHFFFAOYSA-N 1 1 305.349 3.228 20 10 DGCDMO CCO[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000897069206 619011175 /nfs/dbraw/zinc/01/11/75/619011175.db2.gz RZQRFYZFSJOPSB-LBPRGKRZSA-N 1 1 314.223 3.074 20 10 DGCDMO CCO[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000897069206 619011176 /nfs/dbraw/zinc/01/11/76/619011176.db2.gz RZQRFYZFSJOPSB-LBPRGKRZSA-N 1 1 314.223 3.074 20 10 DGCDMO CCO[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000897069206 619011177 /nfs/dbraw/zinc/01/11/77/619011177.db2.gz RZQRFYZFSJOPSB-LBPRGKRZSA-N 1 1 314.223 3.074 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000897298720 619048121 /nfs/dbraw/zinc/04/81/21/619048121.db2.gz HLIODYGVKMNQJP-CYBMUJFWSA-N 1 1 318.442 3.230 20 10 DGCDMO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(Cl)cc1O ZINC000841754145 619157751 /nfs/dbraw/zinc/15/77/51/619157751.db2.gz ZWQZDNSZCBLQAH-SNVBAGLBSA-N 1 1 308.813 3.243 20 10 DGCDMO COc1ccccc1N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000897923892 619195785 /nfs/dbraw/zinc/19/57/85/619195785.db2.gz YANIEPMQTYIZMW-UHFFFAOYSA-N 1 1 312.413 3.113 20 10 DGCDMO Cn1nc(C[NH2+]Cc2cc(Cl)ccc2O)cc1C(F)(F)F ZINC000898023480 619206862 /nfs/dbraw/zinc/20/68/62/619206862.db2.gz YFLGBLJALCOPRY-UHFFFAOYSA-N 1 1 319.714 3.088 20 10 DGCDMO Cc1ccc(C[N@@H+]2Cc3ncccc3N3CCC[C@H]3C2)c(O)c1 ZINC000898165730 619219218 /nfs/dbraw/zinc/21/92/18/619219218.db2.gz JWNDHDYFMDVJGC-INIZCTEOSA-N 1 1 309.413 3.080 20 10 DGCDMO Cc1cccc(C[N@@H+]2Cc3ncccc3N3CCC[C@H]3C2)c1O ZINC000898168249 619220222 /nfs/dbraw/zinc/22/02/22/619220222.db2.gz YRSZIOIVCIGNLZ-INIZCTEOSA-N 1 1 309.413 3.080 20 10 DGCDMO COc1ccc(C[N@@H+](CCCO)Cc2cccc(C)c2O)cc1 ZINC000898172815 619220500 /nfs/dbraw/zinc/22/05/00/619220500.db2.gz AVLBWSVJAJUOPR-UHFFFAOYSA-N 1 1 315.413 3.094 20 10 DGCDMO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC000924647984 619252971 /nfs/dbraw/zinc/25/29/71/619252971.db2.gz KCHCOHMQEGVFSP-CQSZACIVSA-N 1 1 313.449 3.057 20 10 DGCDMO Cc1coc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000898448192 619275747 /nfs/dbraw/zinc/27/57/47/619275747.db2.gz QOMUGQLWORIHIF-SFHVURJKSA-N 1 1 301.434 3.047 20 10 DGCDMO CN(C)c1ccc([C@@H](CN[C@H]2CCc3cccnc32)[NH+](C)C)cc1 ZINC000898447961 619276751 /nfs/dbraw/zinc/27/67/51/619276751.db2.gz NSTYPHIBJPUJMP-RBUKOAKNSA-N 1 1 324.472 3.027 20 10 DGCDMO CN(C)c1ccc([C@@H](CN[C@@H]2CCc3cccnc32)[NH+](C)C)cc1 ZINC000898447963 619276868 /nfs/dbraw/zinc/27/68/68/619276868.db2.gz NSTYPHIBJPUJMP-RTBURBONSA-N 1 1 324.472 3.027 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000898512326 619281742 /nfs/dbraw/zinc/28/17/42/619281742.db2.gz ISXZHINRIPZZMZ-CVEARBPZSA-N 1 1 319.445 3.348 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000898512332 619282347 /nfs/dbraw/zinc/28/23/47/619282347.db2.gz ISXZHINRIPZZMZ-JKSUJKDBSA-N 1 1 319.445 3.348 20 10 DGCDMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000899181593 619316354 /nfs/dbraw/zinc/31/63/54/619316354.db2.gz GQBAWBGSQKPUPY-LSBZLQRGSA-N 1 1 324.424 3.262 20 10 DGCDMO CCN(C(=O)C[NH2+][C@@H](C)c1ccc(F)cc1O)c1ccccc1 ZINC000903197485 619734644 /nfs/dbraw/zinc/73/46/44/619734644.db2.gz PIQMDZHPYQQDCB-ZDUSSCGKSA-N 1 1 316.376 3.235 20 10 DGCDMO CCN(C)c1ccc([C@@H](C)NCc2cc(N(C)C)cc[nH+]2)cc1 ZINC000903201897 619735818 /nfs/dbraw/zinc/73/58/18/619735818.db2.gz QOFYAMOBDHDTDZ-OAHLLOKOSA-N 1 1 312.461 3.455 20 10 DGCDMO C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1c(O)cccc1F ZINC000903240621 619742882 /nfs/dbraw/zinc/74/28/82/619742882.db2.gz VUSXYZULLFTVIW-GFCCVEGCSA-N 1 1 303.381 3.379 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1cccc(C(F)(F)F)c1O ZINC000903301268 619753817 /nfs/dbraw/zinc/75/38/17/619753817.db2.gz PETLODFUGRKBOU-OPQQBVKSSA-N 1 1 302.340 3.154 20 10 DGCDMO C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc(C(F)(F)F)c1O ZINC000903287385 619754390 /nfs/dbraw/zinc/75/43/90/619754390.db2.gz ROFJFXIWJJZOKV-NPZCKLCXSA-N 1 1 313.319 3.237 20 10 DGCDMO C[C@@H]([NH2+]CCOC1CCSCC1)c1cc(F)cc(F)c1O ZINC000903444811 619777641 /nfs/dbraw/zinc/77/76/41/619777641.db2.gz CLCSNKCWYMWOQS-SNVBAGLBSA-N 1 1 317.401 3.233 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000151285681 620436817 /nfs/dbraw/zinc/43/68/17/620436817.db2.gz AKUCWBVYLFEDFB-GOSISDBHSA-N 1 1 305.418 3.008 20 10 DGCDMO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000152080939 620490709 /nfs/dbraw/zinc/49/07/09/620490709.db2.gz DTVWEKWOXPOSFW-IAGOWNOFSA-N 1 1 319.468 3.388 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000153301469 620599754 /nfs/dbraw/zinc/59/97/54/620599754.db2.gz ZJEWSIXKBZEAAJ-UONOGXRCSA-N 1 1 317.458 3.392 20 10 DGCDMO Cc1cccc2nc(C[NH2+]Cc3c(O)cccc3Cl)cn21 ZINC000113340692 620905022 /nfs/dbraw/zinc/90/50/22/620905022.db2.gz KCPZWWMONCBXQN-UHFFFAOYSA-N 1 1 301.777 3.292 20 10 DGCDMO CC(C)[N@@H+]1CCC[C@@H](CNCc2ccc3c(c2)CCCO3)C1 ZINC000921688739 620934337 /nfs/dbraw/zinc/93/43/37/620934337.db2.gz DICHBQVDQZKRBJ-KRWDZBQOSA-N 1 1 302.462 3.222 20 10 DGCDMO CC(C)[N@H+]1CCC[C@@H](CNCc2ccc3c(c2)CCCO3)C1 ZINC000921688739 620934340 /nfs/dbraw/zinc/93/43/40/620934340.db2.gz DICHBQVDQZKRBJ-KRWDZBQOSA-N 1 1 302.462 3.222 20 10 DGCDMO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc3c(c2)CCCO3)nn1 ZINC000922195642 621004635 /nfs/dbraw/zinc/00/46/35/621004635.db2.gz UATZWDAAJGHEPA-UHFFFAOYSA-N 1 1 314.433 3.209 20 10 DGCDMO CCOc1ccc(O)c(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000922527441 621051082 /nfs/dbraw/zinc/05/10/82/621051082.db2.gz ZNCVLKMAFGYGQI-YJBOKZPZSA-N 1 1 317.360 3.352 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1CO ZINC000857061026 621052984 /nfs/dbraw/zinc/05/29/84/621052984.db2.gz IDFUGAVWSRJIDI-FUHWJXTLSA-N 1 1 302.462 3.127 20 10 DGCDMO CCC[C@@H](O)CC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000922820944 621105075 /nfs/dbraw/zinc/10/50/75/621105075.db2.gz MTEQDXSMOFIBEL-GFCCVEGCSA-N 1 1 316.239 3.104 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000858232519 621166845 /nfs/dbraw/zinc/16/68/45/621166845.db2.gz ZVNUOIKFILEHQG-SECBINFHSA-N 1 1 322.758 3.004 20 10 DGCDMO Cc1ccc(O)c(C[NH2+]Cc2ncc(C(F)(F)F)s2)c1 ZINC000858240052 621167100 /nfs/dbraw/zinc/16/71/00/621167100.db2.gz ZWCXBKXSLOQWEN-UHFFFAOYSA-N 1 1 302.321 3.466 20 10 DGCDMO Cc1cc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)nn1C ZINC000858294396 621172520 /nfs/dbraw/zinc/17/25/20/621172520.db2.gz IGUOOCBCHRKSOF-UHFFFAOYSA-N 1 1 308.429 3.426 20 10 DGCDMO Cc1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1N(C)C ZINC000923327625 621176359 /nfs/dbraw/zinc/17/63/59/621176359.db2.gz DWEFTRFJKUNNKB-ZWKOTPCHSA-N 1 1 301.478 3.025 20 10 DGCDMO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](CC)c2ccc(F)cc2O)C1 ZINC000858505871 621199848 /nfs/dbraw/zinc/19/98/48/621199848.db2.gz BPMVFRQYMVBVLR-UKRRQHHQSA-N 1 1 307.365 3.224 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1cccc(C(F)(F)F)c1O ZINC000858562601 621204924 /nfs/dbraw/zinc/20/49/24/621204924.db2.gz FMUASCMVMRNBML-SECBINFHSA-N 1 1 312.291 3.362 20 10 DGCDMO CCO[C@@H](C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000859191133 621258962 /nfs/dbraw/zinc/25/89/62/621258962.db2.gz WQKXZRNMAFJBKC-MJGOQNOKSA-N 1 1 319.445 3.188 20 10 DGCDMO 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CC[C@]1(C)CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769519061 622537108 /nfs/dbraw/zinc/53/71/08/622537108.db2.gz IGFYAESYLFGDJX-GOSISDBHSA-N 1 1 306.425 3.284 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c(O)c1 ZINC000769537640 622538995 /nfs/dbraw/zinc/53/89/95/622538995.db2.gz NQBAWICBCQPFKQ-INIZCTEOSA-N 1 1 315.417 3.034 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](CCO[C@H]2CCCCO2)C2CC2)cc1 ZINC000769708140 622551711 /nfs/dbraw/zinc/55/17/11/622551711.db2.gz KYONIWGXXSGWQI-IBGZPJMESA-N 1 1 318.461 3.260 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c(O)c1 ZINC000770319683 622620853 /nfs/dbraw/zinc/62/08/53/622620853.db2.gz AMDIVHWPQDWJTC-WMLDXEAASA-N 1 1 315.417 3.071 20 10 DGCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000770510156 622640193 /nfs/dbraw/zinc/64/01/93/622640193.db2.gz ZPFZQIWZHNSDJD-IBGZPJMESA-N 1 1 310.441 3.489 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CC4CCC3CC4)cc2)CC1 ZINC000771848947 622803656 /nfs/dbraw/zinc/80/36/56/622803656.db2.gz VQDAEEIICVFHTC-NLPFYKDJSA-N 1 1 313.489 3.107 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CC4CCC3CC4)cc2)CC1 ZINC000771848950 622803858 /nfs/dbraw/zinc/80/38/58/622803858.db2.gz VQDAEEIICVFHTC-OUNSHVDWSA-N 1 1 313.489 3.107 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CCCC(F)(F)C3)cc2)CC1 ZINC000771848930 622803886 /nfs/dbraw/zinc/80/38/86/622803886.db2.gz VLTKWUXTDOTDPC-INIZCTEOSA-N 1 1 323.431 3.106 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)CC1 ZINC000771864050 622806197 /nfs/dbraw/zinc/80/61/97/622806197.db2.gz IREHFAOMNPJCJB-UHFFFAOYSA-N 1 1 323.431 3.106 20 10 DGCDMO Oc1c(C[N@H+]2CCO[C@H](C(F)F)CC2)ccc2ccccc21 ZINC000872257048 622869059 /nfs/dbraw/zinc/86/90/59/622869059.db2.gz JONQIJPFLDKYJI-HNNXBMFYSA-N 1 1 307.340 3.401 20 10 DGCDMO Oc1c(C[N@H+]2CCO[C@@H](C(F)F)CC2)ccc2ccccc21 ZINC000872257049 622869686 /nfs/dbraw/zinc/86/96/86/622869686.db2.gz JONQIJPFLDKYJI-OAHLLOKOSA-N 1 1 307.340 3.401 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)c1O ZINC000872257490 622870239 /nfs/dbraw/zinc/87/02/39/622870239.db2.gz RWFGFTOCBAZYPF-GFCCVEGCSA-N 1 1 305.752 3.210 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)ccc1N1CCCCC1 ZINC000872320483 622890695 /nfs/dbraw/zinc/89/06/95/622890695.db2.gz YRNAKAVTYCBLNX-HDICACEKSA-N 1 1 300.446 3.064 20 10 DGCDMO CCn1nc(C)c(C[N@@H+](C)Cc2cc(OC)c(C)cc2O)c1C ZINC000872630669 622945561 /nfs/dbraw/zinc/94/55/61/622945561.db2.gz ACPSBJSGVDYJBS-UHFFFAOYSA-N 1 1 317.433 3.174 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](C(F)(F)F)CC1)CCC2 ZINC000872814674 622983802 /nfs/dbraw/zinc/98/38/02/622983802.db2.gz SYPXLAARROOHTM-HNNXBMFYSA-N 1 1 315.335 3.034 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1C ZINC000872813603 622984051 /nfs/dbraw/zinc/98/40/51/622984051.db2.gz LSJDXCBGOQWILE-CQSZACIVSA-N 1 1 303.324 3.162 20 10 DGCDMO CCOC(=O)[C@H](C)[N@H+](Cc1ccc(N(C)CC)cc1)C1CC1 ZINC000773887126 623084969 /nfs/dbraw/zinc/08/49/69/623084969.db2.gz BIQPZBFZILEYKV-AWEZNQCLSA-N 1 1 304.434 3.059 20 10 DGCDMO CCOC(=O)[C@H](C)[N@@H+](Cc1ccc(N(C)CC)cc1)C1CC1 ZINC000773887126 623084975 /nfs/dbraw/zinc/08/49/75/623084975.db2.gz BIQPZBFZILEYKV-AWEZNQCLSA-N 1 1 304.434 3.059 20 10 DGCDMO CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000873249320 623091327 /nfs/dbraw/zinc/09/13/27/623091327.db2.gz KWGSCKACCPAQTI-SUZMYJTESA-N 1 1 302.340 3.189 20 10 DGCDMO CO[C@]1(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)CCOC1 ZINC000774359429 623136431 /nfs/dbraw/zinc/13/64/31/623136431.db2.gz PLQGXMBIXLBHHL-XPTSAGLGSA-N 1 1 320.216 3.155 20 10 DGCDMO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774964001 623211957 /nfs/dbraw/zinc/21/19/57/623211957.db2.gz MOWITFDTXHGWTB-WCQYABFASA-N 1 1 308.378 3.367 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774972867 623212791 /nfs/dbraw/zinc/21/27/91/623212791.db2.gz DKJZKVSJNQYGLJ-NWDGAFQWSA-N 1 1 308.378 3.225 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000775014827 623216528 /nfs/dbraw/zinc/21/65/28/623216528.db2.gz QHWLAWUHTXYGAH-OUCADQQQSA-N 1 1 320.389 3.367 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000775049121 623220628 /nfs/dbraw/zinc/22/06/28/623220628.db2.gz SNWNIHATRXKQIL-ZIAGYGMSSA-N 1 1 320.389 3.367 20 10 DGCDMO COc1c(O)c(C[NH2+][C@H]2C[C@H]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000775049107 623220672 /nfs/dbraw/zinc/22/06/72/623220672.db2.gz SNWNIHATRXKQIL-KBPBESRZSA-N 1 1 320.389 3.367 20 10 DGCDMO COc1c(O)c(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000775059032 623223800 /nfs/dbraw/zinc/22/38/00/623223800.db2.gz HIUFGHFKWORFNK-NQBHXWOUSA-N 1 1 308.378 3.223 20 10 DGCDMO COc1c(O)c(C[N@@H+]2CCC[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000775096501 623230797 /nfs/dbraw/zinc/23/07/97/623230797.db2.gz CQQQFXUDYJTSIM-LBPRGKRZSA-N 1 1 308.378 3.177 20 10 DGCDMO COc1c(O)c(C[N@H+]2CCC[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000775096501 623230799 /nfs/dbraw/zinc/23/07/99/623230799.db2.gz CQQQFXUDYJTSIM-LBPRGKRZSA-N 1 1 308.378 3.177 20 10 DGCDMO COc1c(O)c(C[NH2+][C@H]2CCC[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000775106818 623232435 /nfs/dbraw/zinc/23/24/35/623232435.db2.gz KHWKKYZRDXMAEG-YPMHNXCESA-N 1 1 308.378 3.367 20 10 DGCDMO Cc1cccc(C[NH2+]Cc2cccc(Br)c2O)c1O ZINC000775154301 623235691 /nfs/dbraw/zinc/23/56/91/623235691.db2.gz ZFWRJKNKCKMONS-UHFFFAOYSA-N 1 1 322.202 3.459 20 10 DGCDMO CCC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)CC1CC1 ZINC000775632874 623299888 /nfs/dbraw/zinc/29/98/88/623299888.db2.gz CKNPMVKUKREUGG-UHFFFAOYSA-N 1 1 301.478 3.060 20 10 DGCDMO CCC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)CC1CC1 ZINC000775632874 623299893 /nfs/dbraw/zinc/29/98/93/623299893.db2.gz CKNPMVKUKREUGG-UHFFFAOYSA-N 1 1 301.478 3.060 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC000775658218 623306342 /nfs/dbraw/zinc/30/63/42/623306342.db2.gz HNQWNJJTBRDONC-GOSISDBHSA-N 1 1 313.397 3.444 20 10 DGCDMO COCC[N@@H+](CCc1ccccc1)Cc1cc(OC)ccc1O ZINC000775657175 623306547 /nfs/dbraw/zinc/30/65/47/623306547.db2.gz WZJUHHVOGSNKCL-UHFFFAOYSA-N 1 1 315.413 3.092 20 10 DGCDMO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]1C ZINC000775669173 623309576 /nfs/dbraw/zinc/30/95/76/623309576.db2.gz TVXKLQOKJXQTTE-IAGOWNOFSA-N 1 1 301.478 3.059 20 10 DGCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]1C ZINC000775669173 623309582 /nfs/dbraw/zinc/30/95/82/623309582.db2.gz TVXKLQOKJXQTTE-IAGOWNOFSA-N 1 1 301.478 3.059 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H]2Cc2ccccc2)cc1OC ZINC000775724844 623319932 /nfs/dbraw/zinc/31/99/32/623319932.db2.gz LDNHOPQWPFQFKC-MRXNPFEDSA-N 1 1 313.397 3.226 20 10 DGCDMO Cc1cc(Br)cc(C[N@@H+](C)Cc2ccc[nH]2)c1O ZINC000775733847 623320426 /nfs/dbraw/zinc/32/04/26/623320426.db2.gz JJFCAIVPHCLWMU-UHFFFAOYSA-N 1 1 309.207 3.423 20 10 DGCDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000776012678 623364812 /nfs/dbraw/zinc/36/48/12/623364812.db2.gz IPWVUHSOKOGNNH-MWLCHTKSSA-N 1 1 317.307 3.284 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@@H](C4CC4)C3)c2c1 ZINC000776773658 623461670 /nfs/dbraw/zinc/46/16/70/623461670.db2.gz USESXCCVQSYXDP-LJQANCHMSA-N 1 1 313.397 3.165 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1O ZINC000776778948 623462628 /nfs/dbraw/zinc/46/26/28/623462628.db2.gz YWPQORAVVHDMJN-MRXNPFEDSA-N 1 1 305.418 3.100 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000777223431 623507101 /nfs/dbraw/zinc/50/71/01/623507101.db2.gz YPFPFNFGFVBPGV-LJQANCHMSA-N 1 1 300.446 3.288 20 10 DGCDMO COCC[N@@H+](Cc1cc(OC)c(C)cc1O)[C@H]1CC[C@H](C)C1 ZINC000790477700 625657632 /nfs/dbraw/zinc/65/76/32/625657632.db2.gz HOOLZWRWPUVPHM-BBRMVZONSA-N 1 1 307.434 3.346 20 10 DGCDMO C[N@@H+](Cc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876510075 623630255 /nfs/dbraw/zinc/63/02/55/623630255.db2.gz NXWWGGVJVUQISU-UHFFFAOYSA-N 1 1 310.441 3.280 20 10 DGCDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000876658287 623672026 /nfs/dbraw/zinc/67/20/26/623672026.db2.gz RRQAOKASFWLAEY-HZPDHXFCSA-N 1 1 318.461 3.217 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCC4(CCC4)C3)cc2)CC1 ZINC000876742398 623694556 /nfs/dbraw/zinc/69/45/56/623694556.db2.gz OQNFZVWPBKTLBF-UHFFFAOYSA-N 1 1 300.446 3.024 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000876807470 623710904 /nfs/dbraw/zinc/71/09/04/623710904.db2.gz FASODUOLSUIYHP-WMLDXEAASA-N 1 1 301.386 3.382 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c(O)c1 ZINC000876809184 623712025 /nfs/dbraw/zinc/71/20/25/623712025.db2.gz XEOYFNXIRGUXIR-NVXWUHKLSA-N 1 1 301.386 3.382 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2C(C)(C)O)cc1F ZINC000779165244 623737243 /nfs/dbraw/zinc/73/72/43/623737243.db2.gz FOBZKQQIVCBDJM-KRWDZBQOSA-N 1 1 308.441 3.407 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H](C(N)=O)C1 ZINC000779204455 623741859 /nfs/dbraw/zinc/74/18/59/623741859.db2.gz SNUXNQGTOZJVAE-KBXCAEBGSA-N 1 1 324.424 3.145 20 10 DGCDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000779605718 623781364 /nfs/dbraw/zinc/78/13/64/623781364.db2.gz XSHUEDMCSBQUAR-OAHLLOKOSA-N 1 1 305.418 3.112 20 10 DGCDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877460688 623893526 /nfs/dbraw/zinc/89/35/26/623893526.db2.gz SDRAIKNIWQGZRY-CQSZACIVSA-N 1 1 303.324 3.244 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](OC)C1CCOCC1 ZINC000877503162 623915360 /nfs/dbraw/zinc/91/53/60/623915360.db2.gz DBGBBLBVSPJUBF-LJQANCHMSA-N 1 1 321.461 3.436 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000877572207 623947612 /nfs/dbraw/zinc/94/76/12/623947612.db2.gz NOSCTOJMFJPZHT-LBPRGKRZSA-N 1 1 316.367 3.017 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCC34CCCC4)cc2)CC1 ZINC000877609911 623961367 /nfs/dbraw/zinc/96/13/67/623961367.db2.gz OBPRKWVUAJZVAW-UHFFFAOYSA-N 1 1 300.446 3.166 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645484 623976682 /nfs/dbraw/zinc/97/66/82/623976682.db2.gz MQCGAFFEJDGMBY-CQSZACIVSA-N 1 1 318.804 3.232 20 10 DGCDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000780791964 623985855 /nfs/dbraw/zinc/98/58/55/623985855.db2.gz DMDWHDPCIYZJJD-GXSJLCMTSA-N 1 1 317.307 3.284 20 10 DGCDMO COCCOCc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877702909 623998427 /nfs/dbraw/zinc/99/84/27/623998427.db2.gz JLNQPTOYBUVXST-UHFFFAOYSA-N 1 1 313.397 3.071 20 10 DGCDMO CC(C)(C)OC(=O)NCC(C)(C)C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703253 623998848 /nfs/dbraw/zinc/99/88/48/623998848.db2.gz YHGUTWVUQHZDEJ-UHFFFAOYSA-N 1 1 320.433 3.259 20 10 DGCDMO CC(C)(O)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000877753423 624019705 /nfs/dbraw/zinc/01/97/05/624019705.db2.gz DDTZLPLFHAGMFU-UHFFFAOYSA-N 1 1 301.789 3.168 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)cc1C ZINC000877762943 624026906 /nfs/dbraw/zinc/02/69/06/624026906.db2.gz UIEZRFKUEWKADN-SFHVURJKSA-N 1 1 323.440 3.389 20 10 DGCDMO COc1cccc([O-])c1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767666 624028450 /nfs/dbraw/zinc/02/84/50/624028450.db2.gz SCLMAFZOCBFGJL-UHFFFAOYSA-N 1 1 320.477 3.201 20 10 DGCDMO COc1cccc([O-])c1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767666 624028453 /nfs/dbraw/zinc/02/84/53/624028453.db2.gz SCLMAFZOCBFGJL-UHFFFAOYSA-N 1 1 320.477 3.201 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](c3nc(C)cs3)C2)c1 ZINC000877814150 624045784 /nfs/dbraw/zinc/04/57/84/624045784.db2.gz UNHFQFIPEGOPNY-LBPRGKRZSA-N 1 1 304.415 3.155 20 10 DGCDMO CCC[C@](C)(CO)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000781631408 624108875 /nfs/dbraw/zinc/10/88/75/624108875.db2.gz JQSLDCUDKKYAGU-CQSZACIVSA-N 1 1 316.239 3.104 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]CCOC(C)(C)C)c1 ZINC000781627531 624109991 /nfs/dbraw/zinc/10/99/91/624109991.db2.gz AFAHRRMNPPANHW-UHFFFAOYSA-N 1 1 316.239 3.368 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@]2(C)CCCO2)c1 ZINC000781631891 624110143 /nfs/dbraw/zinc/11/01/43/624110143.db2.gz CWWFIGJIBRQYGP-AWEZNQCLSA-N 1 1 314.223 3.122 20 10 DGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCO[C@H](C)C2)c1 ZINC000781636938 624111746 /nfs/dbraw/zinc/11/17/46/624111746.db2.gz UWNBZISDQLFEJY-PWSUYJOCSA-N 1 1 314.223 3.120 20 10 DGCDMO COc1cc(C[N@H+]2Cc3ccccc3OC[C@@H]2C)c(O)cc1C ZINC000782291370 624233577 /nfs/dbraw/zinc/23/35/77/624233577.db2.gz VDOOMKANCOSYJI-AWEZNQCLSA-N 1 1 313.397 3.492 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c(O)cc1C ZINC000782292126 624234470 /nfs/dbraw/zinc/23/44/70/624234470.db2.gz VTRPCUTUCHOINM-INIZCTEOSA-N 1 1 312.413 3.169 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c(O)cc1C ZINC000782292127 624234555 /nfs/dbraw/zinc/23/45/55/624234555.db2.gz VTRPCUTUCHOINM-MRXNPFEDSA-N 1 1 312.413 3.169 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H](C)[C@@H](C)O1 ZINC000783539838 624363455 /nfs/dbraw/zinc/36/34/55/624363455.db2.gz DCEOFHVRXLQKBS-FRRDWIJNSA-N 1 1 307.434 3.393 20 10 DGCDMO Cc1cc(C[N@H+]2CCC=C(c3cnn(C)c3)C2)ccc1N(C)C ZINC000878908527 624386186 /nfs/dbraw/zinc/38/61/86/624386186.db2.gz OEXMRJISXLPKOU-UHFFFAOYSA-N 1 1 310.445 3.084 20 10 DGCDMO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000790934284 625718016 /nfs/dbraw/zinc/71/80/16/625718016.db2.gz JTQPVNNUOFFOIO-GHMZBOCLSA-N 1 1 301.789 3.310 20 10 DGCDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000790934284 625718023 /nfs/dbraw/zinc/71/80/23/625718023.db2.gz JTQPVNNUOFFOIO-GHMZBOCLSA-N 1 1 301.789 3.310 20 10 DGCDMO Cn1cccc1C[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000128308674 624868109 /nfs/dbraw/zinc/86/81/09/624868109.db2.gz UXZQGJLECCUAGJ-UHFFFAOYSA-N 1 1 302.418 3.366 20 10 DGCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)[C@H]1C ZINC000787244140 624991404 /nfs/dbraw/zinc/99/14/04/624991404.db2.gz MNSXTHHSNBPRRV-DZGCQCFKSA-N 1 1 319.445 3.382 20 10 DGCDMO CC(C)OCC[C@@H](O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000788272861 625111123 /nfs/dbraw/zinc/11/11/23/625111123.db2.gz YZVLJIFDRGJIBR-GOSISDBHSA-N 1 1 321.461 3.313 20 10 DGCDMO CSC1(C[NH2+]Cc2cc(C)cc(Br)c2O)CC1 ZINC000788524493 625207674 /nfs/dbraw/zinc/20/76/74/625207674.db2.gz QTRJXDYDVABBGU-UHFFFAOYSA-N 1 1 316.264 3.448 20 10 DGCDMO C[C@@H]([NH2+]CC1(CO)CCC1)c1cccc(C(F)(F)F)c1O ZINC000788743642 625256682 /nfs/dbraw/zinc/25/66/82/625256682.db2.gz ZSLZDTVCKHMFDE-SNVBAGLBSA-N 1 1 303.324 3.224 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)[C@H]1CCOC1 ZINC000788816550 625275296 /nfs/dbraw/zinc/27/52/96/625275296.db2.gz SNTMPQGMKYFDFN-VWYCJHECSA-N 1 1 303.324 3.487 20 10 DGCDMO CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790961960 625723285 /nfs/dbraw/zinc/72/32/85/625723285.db2.gz FTCQARUBTIVHIR-NSHDSACASA-N 1 1 300.805 3.006 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc2c(c1)OCO2 ZINC000882885188 625845735 /nfs/dbraw/zinc/84/57/35/625845735.db2.gz NFNOQJSDJXHPIM-SECBINFHSA-N 1 1 307.296 3.250 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000882990007 625887685 /nfs/dbraw/zinc/88/76/85/625887685.db2.gz RRFBZDAAQONVPJ-LLVKDONJSA-N 1 1 305.324 3.326 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000882995220 625890862 /nfs/dbraw/zinc/89/08/62/625890862.db2.gz MXNMWUUQLSLDEA-INIZCTEOSA-N 1 1 305.324 3.074 20 10 DGCDMO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883079488 625919145 /nfs/dbraw/zinc/91/91/45/625919145.db2.gz VTHGHLNFPXBRJP-BDJLRTHQSA-N 1 1 307.340 3.272 20 10 DGCDMO COCC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc(C)o1 ZINC000883083925 625920466 /nfs/dbraw/zinc/92/04/66/625920466.db2.gz CCCFYFDBGFDHBG-AWEZNQCLSA-N 1 1 311.328 3.439 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000883136081 625939826 /nfs/dbraw/zinc/93/98/26/625939826.db2.gz ULTGOXJRTQYQMS-GDBMZVCRSA-N 1 1 320.339 3.075 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1cccc2c1CCOC2 ZINC000883196529 625966629 /nfs/dbraw/zinc/96/66/29/625966629.db2.gz QZPCPNPJKBYZHE-UHFFFAOYSA-N 1 1 305.324 3.033 20 10 DGCDMO CC[C@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(F)cc1O ZINC000796691813 626073522 /nfs/dbraw/zinc/07/35/22/626073522.db2.gz DWEALQMLINPYFS-HNNXBMFYSA-N 1 1 303.381 3.233 20 10 DGCDMO CC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(F)cc1O ZINC000796737125 626078036 /nfs/dbraw/zinc/07/80/36/626078036.db2.gz KIMMMFRSRSBPPT-CQSZACIVSA-N 1 1 316.367 3.302 20 10 DGCDMO CC[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(F)cc1O ZINC000796777054 626081507 /nfs/dbraw/zinc/08/15/07/626081507.db2.gz AIDMQXIXYQQVJE-CYBMUJFWSA-N 1 1 309.410 3.295 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000797604749 626159218 /nfs/dbraw/zinc/15/92/18/626159218.db2.gz BWYOAEHFWPIDCF-UHFFFAOYSA-N 1 1 319.408 3.427 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1cccc(C(F)(F)F)c1O ZINC000798179480 626200038 /nfs/dbraw/zinc/20/00/38/626200038.db2.gz BTFYNIANOTZDLD-SKDRFNHKSA-N 1 1 315.291 3.388 20 10 DGCDMO Cc1c(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)cnn1C ZINC000798182030 626200363 /nfs/dbraw/zinc/20/03/63/626200363.db2.gz PVHIYKJTRSGVCQ-VIFPVBQESA-N 1 1 313.323 3.304 20 10 DGCDMO CCCC[N@@H+](CCC(=O)N1CCCCC1)Cc1ccccc1O ZINC000801596506 626411403 /nfs/dbraw/zinc/41/14/03/626411403.db2.gz CFFVCBVSGZHJFD-UHFFFAOYSA-N 1 1 318.461 3.397 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC1CCCC1 ZINC000801596564 626411418 /nfs/dbraw/zinc/41/14/18/626411418.db2.gz FTBKXTMPFAFTGK-HNNXBMFYSA-N 1 1 318.461 3.442 20 10 DGCDMO CCCC[N@@H+](CC(=O)N[C@@H](C)C(C)C)Cc1ccccc1O ZINC000801597494 626411670 /nfs/dbraw/zinc/41/16/70/626411670.db2.gz IIIIPLGXJMDNLA-HNNXBMFYSA-N 1 1 306.450 3.155 20 10 DGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(C)(C)C ZINC000801599237 626411865 /nfs/dbraw/zinc/41/18/65/626411865.db2.gz GPQQOWIUVPNLKG-AWEZNQCLSA-N 1 1 306.450 3.298 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c1O ZINC000802656921 626565385 /nfs/dbraw/zinc/56/53/85/626565385.db2.gz SCEWVUCFQQIFNH-GOSISDBHSA-N 1 1 301.361 3.472 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccc(F)cc1O ZINC000883263285 626628830 /nfs/dbraw/zinc/62/88/30/626628830.db2.gz OJXFSUYBTHNECO-UKRRQHHQSA-N 1 1 323.408 3.158 20 10 DGCDMO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000883319455 626645827 /nfs/dbraw/zinc/64/58/27/626645827.db2.gz CLKGLJVUHHVDKW-MXWKQRLJSA-N 1 1 303.324 3.487 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1O ZINC000840113628 626767267 /nfs/dbraw/zinc/76/72/67/626767267.db2.gz FRTHIOFOSXFAQI-BRWVUGGUSA-N 1 1 319.445 3.225 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000840120449 626772597 /nfs/dbraw/zinc/77/25/97/626772597.db2.gz LLUDUPCSLAMMKR-QGTPRVQTSA-N 1 1 312.413 3.066 20 10 DGCDMO CN1CC[C@@H]2C[N@@H+](Cc3cc4oc5ccccc5c4cc3O)C[C@@H]21 ZINC000840131902 626808995 /nfs/dbraw/zinc/80/89/95/626808995.db2.gz FCDUKEZAQJXQMK-DYVFJYSZSA-N 1 1 322.408 3.428 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCc3cccc(OC)c3C2)c1O ZINC000840135099 626816978 /nfs/dbraw/zinc/81/69/78/626816978.db2.gz YINWNKPIHOFAFA-UHFFFAOYSA-N 1 1 313.397 3.276 20 10 DGCDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2c(O)ccc3ccncc32)C12CCC2 ZINC000840138059 626826205 /nfs/dbraw/zinc/82/62/05/626826205.db2.gz CKOSAQLZHKUSFY-MSOLQXFVSA-N 1 1 312.413 3.330 20 10 DGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c1O ZINC000808675593 626847772 /nfs/dbraw/zinc/84/77/72/626847772.db2.gz MNJPYPMPXMDGQZ-OLZOCXBDSA-N 1 1 308.853 3.489 20 10 DGCDMO C[C@H]([NH2+][C@@H]1COc2ccc(F)cc2C1)c1ccc(F)cc1O ZINC000808729136 626854826 /nfs/dbraw/zinc/85/48/26/626854826.db2.gz HPZXXGLOIMUARK-HZMBPMFUSA-N 1 1 305.324 3.325 20 10 DGCDMO COc1cc(C)cc(C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c1O ZINC000840143723 626857669 /nfs/dbraw/zinc/85/76/69/626857669.db2.gz XGMYWQQADWRJCG-JKSUJKDBSA-N 1 1 305.418 3.099 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c(O)cc1C ZINC000840146704 626865083 /nfs/dbraw/zinc/86/50/83/626865083.db2.gz ZRKZVPDOVXPTJY-QGZVFWFLSA-N 1 1 307.459 3.428 20 10 DGCDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1c(O)ccc2ccncc21 ZINC000840157232 626879720 /nfs/dbraw/zinc/87/97/20/626879720.db2.gz UFCOKQYZROTXIC-UHFFFAOYSA-N 1 1 324.428 3.332 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809578744 626922489 /nfs/dbraw/zinc/92/24/89/626922489.db2.gz PPYZZVOOGCJYMF-HXUWFJFHSA-N 1 1 322.452 3.470 20 10 DGCDMO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c(O)ccc(Cl)c1F ZINC000809703678 626939336 /nfs/dbraw/zinc/93/93/36/626939336.db2.gz OIFZJOHYJQCPCE-RYUDHWBXSA-N 1 1 312.816 3.243 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCCN(CC(F)F)CC2)c1O ZINC000809757520 626947336 /nfs/dbraw/zinc/94/73/36/626947336.db2.gz PJICILHQEBQMLV-UHFFFAOYSA-N 1 1 318.795 3.127 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c(O)c1 ZINC000809768625 626949844 /nfs/dbraw/zinc/94/98/44/626949844.db2.gz QTPVDXRMUXWRNT-MRXNPFEDSA-N 1 1 315.417 3.468 20 10 DGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1C[C@]12CCOC2 ZINC000885960109 627069896 /nfs/dbraw/zinc/06/98/96/627069896.db2.gz GXZWXGQZCYOAIF-MJGOQNOKSA-N 1 1 302.462 3.390 20 10 DGCDMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000136825130 627103743 /nfs/dbraw/zinc/10/37/43/627103743.db2.gz KXVHPJKKOAEFOO-FUHWJXTLSA-N 1 1 302.462 3.270 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1c(O)cccc1F ZINC000886530520 627158018 /nfs/dbraw/zinc/15/80/18/627158018.db2.gz LWLCOXQIUXBYTG-UKRRQHHQSA-N 1 1 303.377 3.348 20 10 DGCDMO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2c(O)cccc2F)C1 ZINC000886536705 627158876 /nfs/dbraw/zinc/15/88/76/627158876.db2.gz NNEQOQHOPMIXCE-KDRJOKAESA-N 1 1 313.438 3.262 20 10 DGCDMO C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1c(O)cccc1F ZINC000886540691 627159417 /nfs/dbraw/zinc/15/94/17/627159417.db2.gz JGIIKNKFWPPRNA-VIFPVBQESA-N 1 1 317.286 3.141 20 10 DGCDMO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886543492 627160609 /nfs/dbraw/zinc/16/06/09/627160609.db2.gz PSIXCZJEJUFXLB-BLLLJJGKSA-N 1 1 319.376 3.314 20 10 DGCDMO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1c(O)cccc1F ZINC000886551596 627161690 /nfs/dbraw/zinc/16/16/90/627161690.db2.gz KOQNRYRESHWTLC-IUODEOHRSA-N 1 1 320.408 3.116 20 10 DGCDMO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2c(O)cccc2F)cc1 ZINC000886596251 627170046 /nfs/dbraw/zinc/17/00/46/627170046.db2.gz ABBIVEPGLHWQPX-UKRRQHHQSA-N 1 1 303.377 3.094 20 10 DGCDMO C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1c(O)cccc1F ZINC000886642055 627178562 /nfs/dbraw/zinc/17/85/62/627178562.db2.gz ZCGCVMSXEWYIKK-JOYOIKCWSA-N 1 1 317.286 3.182 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1c(O)cccc1F ZINC000886648201 627180138 /nfs/dbraw/zinc/18/01/38/627180138.db2.gz NPLDNLOBUDAZLN-MLGOLLRUSA-N 1 1 300.377 3.369 20 10 DGCDMO CC[C@H]([NH2+][C@H](COC)[C@H]1CCCOC1)c1ccc(F)cc1O ZINC000886789250 627204600 /nfs/dbraw/zinc/20/46/00/627204600.db2.gz QUKONBFQMWHEES-VBNZEHGJSA-N 1 1 311.397 3.014 20 10 DGCDMO Cc1cc(O)c(C[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)cc1C ZINC000811515072 627286097 /nfs/dbraw/zinc/28/60/97/627286097.db2.gz MCNUQQLLQDKVET-UHFFFAOYSA-N 1 1 320.433 3.060 20 10 DGCDMO CO[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)[C@H](C)C1 ZINC000302276896 627317342 /nfs/dbraw/zinc/31/73/42/627317342.db2.gz BJDPUBUFIHERKU-ZYHUDNBSSA-N 1 1 314.223 3.154 20 10 DGCDMO CO[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)[C@H](C)C1 ZINC000302276896 627317346 /nfs/dbraw/zinc/31/73/46/627317346.db2.gz BJDPUBUFIHERKU-ZYHUDNBSSA-N 1 1 314.223 3.154 20 10 DGCDMO COc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(O)cc1C ZINC000811777274 627320847 /nfs/dbraw/zinc/32/08/47/627320847.db2.gz IGVCSWNYWUGYPI-WBVHZDCISA-N 1 1 305.418 3.099 20 10 DGCDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)CCCC4)C2)c1 ZINC000811799557 627322581 /nfs/dbraw/zinc/32/25/81/627322581.db2.gz WUCPVIQXKGEYPC-GOSISDBHSA-N 1 1 311.429 3.223 20 10 DGCDMO CCN1CCN(c2ccc(C[NH2+][C@@H]3C[C@H](C)[C@H]3C)cc2F)CC1 ZINC000813858585 627516707 /nfs/dbraw/zinc/51/67/07/627516707.db2.gz ASTNSTOIYXMANF-HDMKZQKVSA-N 1 1 319.468 3.102 20 10 DGCDMO Cc1cc(C[N@@H+]2CC[C@H](N3CCCCC3)C2)ccc1N(C)C ZINC000815041852 627618072 /nfs/dbraw/zinc/61/80/72/627618072.db2.gz FHAADFILOYJAFG-SFHVURJKSA-N 1 1 301.478 3.121 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](N3CCCCC3)C2)ccc1N(C)C ZINC000815041852 627618075 /nfs/dbraw/zinc/61/80/75/627618075.db2.gz FHAADFILOYJAFG-SFHVURJKSA-N 1 1 301.478 3.121 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]C3CC(C(C)(C)C)C3)cc2)CC1 ZINC000815146441 627637462 /nfs/dbraw/zinc/63/74/62/627637462.db2.gz HPEKGTUITXFPRX-UHFFFAOYSA-N 1 1 315.505 3.353 20 10 DGCDMO CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000815560717 627684649 /nfs/dbraw/zinc/68/46/49/627684649.db2.gz NYFNUEYFTAZFIK-RYUDHWBXSA-N 1 1 316.367 3.403 20 10 DGCDMO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cccc(C(F)(F)F)c1O ZINC000815558677 627684679 /nfs/dbraw/zinc/68/46/79/627684679.db2.gz KTIVULZTFOEDJG-WDEREUQCSA-N 1 1 313.323 3.347 20 10 DGCDMO CC(C)C[C@H](O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815572256 627686271 /nfs/dbraw/zinc/68/62/71/627686271.db2.gz YLFYJAMSPZONJC-MNOVXSKESA-N 1 1 305.340 3.469 20 10 DGCDMO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc(C(F)(F)F)c1O ZINC000815579182 627687151 /nfs/dbraw/zinc/68/71/51/627687151.db2.gz HCSCNZDWIYHQAK-IINYFYTJSA-N 1 1 303.324 3.488 20 10 DGCDMO C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccc(C(F)(F)F)c1O ZINC000815585989 627688416 /nfs/dbraw/zinc/68/84/16/627688416.db2.gz WTXZRCBLMLRZMD-VXGBXAGGSA-N 1 1 316.367 3.403 20 10 DGCDMO C[C@@H]([NH2+][C@H](CCO)C1CC1)c1cccc(C(F)(F)F)c1O ZINC000815594760 627689144 /nfs/dbraw/zinc/68/91/44/627689144.db2.gz XMWNUPAIEKBQCQ-NOZJJQNGSA-N 1 1 303.324 3.223 20 10 DGCDMO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cccc(C(F)(F)F)c1O ZINC000815621572 627691746 /nfs/dbraw/zinc/69/17/46/627691746.db2.gz XPAPSGYRVDIIBG-NRUUGDAUSA-N 1 1 303.324 3.487 20 10 DGCDMO CCOC(=O)CC[N@H+](Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000816497033 627796996 /nfs/dbraw/zinc/79/69/96/627796996.db2.gz JYYUMRMNHQLSKE-UHFFFAOYSA-N 1 1 315.772 3.102 20 10 DGCDMO CCOC(=O)CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000816497033 627796997 /nfs/dbraw/zinc/79/69/97/627796997.db2.gz JYYUMRMNHQLSKE-UHFFFAOYSA-N 1 1 315.772 3.102 20 10 DGCDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816498752 627797501 /nfs/dbraw/zinc/79/75/01/627797501.db2.gz KMGXJXXNFSBBIJ-CQSZACIVSA-N 1 1 312.413 3.023 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000816530926 627802972 /nfs/dbraw/zinc/80/29/72/627802972.db2.gz AIFXARGTBKNNND-NSHDSACASA-N 1 1 323.751 3.114 20 10 DGCDMO CC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816535512 627803425 /nfs/dbraw/zinc/80/34/25/627803425.db2.gz QTKYLLZYDAKMEZ-UHFFFAOYSA-N 1 1 322.767 3.433 20 10 DGCDMO OC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)Cc1ccccc1 ZINC000816538188 627804080 /nfs/dbraw/zinc/80/40/80/627804080.db2.gz IZQPKMSWQUFAAF-CYBMUJFWSA-N 1 1 323.795 3.126 20 10 DGCDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816535908 627804183 /nfs/dbraw/zinc/80/41/83/627804183.db2.gz FNXRKTRHOHBCEU-UHFFFAOYSA-N 1 1 310.712 3.383 20 10 DGCDMO COc1nc(C)cc(C)c1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816546350 627804632 /nfs/dbraw/zinc/80/46/32/627804632.db2.gz HOBHQMVXSVWONZ-UHFFFAOYSA-N 1 1 324.783 3.495 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)c1ccsc1 ZINC000816552175 627806202 /nfs/dbraw/zinc/80/62/02/627806202.db2.gz CRMUKARMCDEPDN-ZDUSSCGKSA-N 1 1 301.770 3.069 20 10 DGCDMO CC(C)(C)OC(=O)CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816553045 627806864 /nfs/dbraw/zinc/80/68/64/627806864.db2.gz GFMWTFNOUCVPIH-UHFFFAOYSA-N 1 1 303.761 3.006 20 10 DGCDMO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816559223 627807275 /nfs/dbraw/zinc/80/72/75/627807275.db2.gz BVZBXCNOHOXTTC-LKFCYVNXSA-N 1 1 313.756 3.380 20 10 DGCDMO CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816559666 627807817 /nfs/dbraw/zinc/80/78/17/627807817.db2.gz QVWGIFFRWWJAQL-AWEZNQCLSA-N 1 1 303.805 3.317 20 10 DGCDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1O ZINC000816560690 627808158 /nfs/dbraw/zinc/80/81/58/627808158.db2.gz XMVVMXNXNDFUIL-ABAIWWIYSA-N 1 1 315.816 3.414 20 10 DGCDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1O ZINC000816560690 627808162 /nfs/dbraw/zinc/80/81/62/627808162.db2.gz XMVVMXNXNDFUIL-ABAIWWIYSA-N 1 1 315.816 3.414 20 10 DGCDMO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1O ZINC000816560692 627808178 /nfs/dbraw/zinc/80/81/78/627808178.db2.gz XMVVMXNXNDFUIL-NHYWBVRUSA-N 1 1 315.816 3.414 20 10 DGCDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1O ZINC000816560692 627808181 /nfs/dbraw/zinc/80/81/81/627808181.db2.gz XMVVMXNXNDFUIL-NHYWBVRUSA-N 1 1 315.816 3.414 20 10 DGCDMO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816588259 627811921 /nfs/dbraw/zinc/81/19/21/627811921.db2.gz JOPNYNMUZNVYRO-AWEZNQCLSA-N 1 1 323.795 3.186 20 10 DGCDMO OC[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)CC1CCCC1 ZINC000816598778 627813192 /nfs/dbraw/zinc/81/31/92/627813192.db2.gz PPQIYILWLNOYLW-LBPRGKRZSA-N 1 1 315.816 3.463 20 10 DGCDMO C[C@@H](CO)[N@@H+](Cc1cc(Cl)c(F)cc1O)CC1CCC1 ZINC000816603011 627813441 /nfs/dbraw/zinc/81/34/41/627813441.db2.gz VOGNEDBREFLHKS-JTQLQIEISA-N 1 1 301.789 3.168 20 10 DGCDMO C[C@@H](CO)[N@H+](Cc1cc(Cl)c(F)cc1O)CC1CCC1 ZINC000816603011 627813445 /nfs/dbraw/zinc/81/34/45/627813445.db2.gz VOGNEDBREFLHKS-JTQLQIEISA-N 1 1 301.789 3.168 20 10 DGCDMO Oc1c(C[N@H+]2CCCN(CC(F)F)CC2)ccc2ccccc21 ZINC000816611362 627814256 /nfs/dbraw/zinc/81/42/56/627814256.db2.gz NZMOHSHEIVLHFK-UHFFFAOYSA-N 1 1 320.383 3.318 20 10 DGCDMO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(Cl)c(F)cc1O ZINC000816609525 627814960 /nfs/dbraw/zinc/81/49/60/627814960.db2.gz FDWHDAQCYHNREI-ABAIWWIYSA-N 1 1 312.816 3.243 20 10 DGCDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000816662544 627821424 /nfs/dbraw/zinc/82/14/24/627821424.db2.gz RJDQBQIOMSRVKJ-SFHVURJKSA-N 1 1 308.441 3.122 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000816666001 627822516 /nfs/dbraw/zinc/82/25/16/627822516.db2.gz BPDCOODJUAGWLO-IRXDYDNUSA-N 1 1 307.821 3.497 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000816666001 627822519 /nfs/dbraw/zinc/82/25/19/627822519.db2.gz BPDCOODJUAGWLO-IRXDYDNUSA-N 1 1 307.821 3.497 20 10 DGCDMO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2O)C1 ZINC000817415178 627897349 /nfs/dbraw/zinc/89/73/49/627897349.db2.gz TZLHNAHMRMEBQV-UKRRQHHQSA-N 1 1 305.418 3.192 20 10 DGCDMO Cc1cc(C[NH2+][C@@H](C)c2cnn(C)n2)c(C)n1-c1cccc(C)c1 ZINC000926765648 627949437 /nfs/dbraw/zinc/94/94/37/627949437.db2.gz XZZMTQPKIJTVQO-HNNXBMFYSA-N 1 1 323.444 3.382 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1[O-] ZINC000817880394 627952787 /nfs/dbraw/zinc/95/27/87/627952787.db2.gz RNAHNRIXWXZKJN-WDMOLILDSA-N 1 1 324.852 3.053 20 10 DGCDMO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817898591 627955902 /nfs/dbraw/zinc/95/59/02/627955902.db2.gz JNDGDXOZNSQFKH-LAUBAEHRSA-N 1 1 323.484 3.335 20 10 DGCDMO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000817898591 627955907 /nfs/dbraw/zinc/95/59/07/627955907.db2.gz JNDGDXOZNSQFKH-LAUBAEHRSA-N 1 1 323.484 3.335 20 10 DGCDMO c1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc2c1OCC2 ZINC000817902543 627956882 /nfs/dbraw/zinc/95/68/82/627956882.db2.gz TWERPXGPEIBYOY-KZNAEPCWSA-N 1 1 300.446 3.022 20 10 DGCDMO COc1ccc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938361 627966869 /nfs/dbraw/zinc/96/68/69/627966869.db2.gz JKJVGUQYRRGWMK-KUHUBIRLSA-N 1 1 313.445 3.112 20 10 DGCDMO C[C@H](NCC(F)(F)C[NH3+])c1ccc(N2CCCCCC2)cc1 ZINC000817965826 627978077 /nfs/dbraw/zinc/97/80/77/627978077.db2.gz CPLWEXUMTJCNSG-AWEZNQCLSA-N 1 1 311.420 3.312 20 10 DGCDMO CCOCCOCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000927086117 628010943 /nfs/dbraw/zinc/01/09/43/628010943.db2.gz DACMPHZCTXXVEE-LLVKDONJSA-N 1 1 321.339 3.115 20 10 DGCDMO CC[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(F)cc1O ZINC000927102537 628014961 /nfs/dbraw/zinc/01/49/61/628014961.db2.gz SLBDXTDEUWBDDF-HNNXBMFYSA-N 1 1 303.381 3.383 20 10 DGCDMO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1ccc(F)cc1O ZINC000927138598 628024231 /nfs/dbraw/zinc/02/42/31/628024231.db2.gz FIMDYSBXEDJFST-LSKLOWJMSA-N 1 1 301.361 3.230 20 10 DGCDMO C[N@@H+](C[C@H](O)CNc1ccc(Nc2ccccc2)cc1)C1CC1 ZINC000819396195 628147449 /nfs/dbraw/zinc/14/74/49/628147449.db2.gz ZLASPRKAKDYGJY-LJQANCHMSA-N 1 1 311.429 3.297 20 10 DGCDMO COc1cccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1O ZINC000822529347 628462131 /nfs/dbraw/zinc/46/21/31/628462131.db2.gz DADFVFREKVMVPL-GOSISDBHSA-N 1 1 317.429 3.182 20 10 DGCDMO C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[N@@H+](C2CC2)C1 ZINC000824445614 628661260 /nfs/dbraw/zinc/66/12/60/628661260.db2.gz HNYDUCDEDMTPQX-NSHDSACASA-N 1 1 312.816 3.101 20 10 DGCDMO C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[N@H+](C2CC2)C1 ZINC000824445614 628661263 /nfs/dbraw/zinc/66/12/63/628661263.db2.gz HNYDUCDEDMTPQX-NSHDSACASA-N 1 1 312.816 3.101 20 10 DGCDMO Cc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000824636836 628679125 /nfs/dbraw/zinc/67/91/25/628679125.db2.gz UHQMZMYDOUEEAK-HKUYNNGSSA-N 1 1 315.388 3.001 20 10 DGCDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)o1 ZINC000824663098 628681670 /nfs/dbraw/zinc/68/16/70/628681670.db2.gz GAXORNGHXGPTTR-LBPRGKRZSA-N 1 1 321.808 3.425 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1F ZINC000824696987 628684699 /nfs/dbraw/zinc/68/46/99/628684699.db2.gz WYIXCPIJYLYCLA-KVSKMBFKSA-N 1 1 320.452 3.407 20 10 DGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000824715521 628686476 /nfs/dbraw/zinc/68/64/76/628686476.db2.gz LDGNIECBXXPLRB-OAGGEKHMSA-N 1 1 309.837 3.479 20 10 DGCDMO OC[C@H]([C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1)C1CC1 ZINC000824845088 628699633 /nfs/dbraw/zinc/69/96/33/628699633.db2.gz HNXBHQFEEQAMJC-LRDDRELGSA-N 1 1 313.800 3.071 20 10 DGCDMO Cc1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1O ZINC000824892999 628703467 /nfs/dbraw/zinc/70/34/67/628703467.db2.gz IEAVGSIJWZBHDY-SJORKVTESA-N 1 1 301.430 3.482 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)cc1Cl ZINC000824913258 628705657 /nfs/dbraw/zinc/70/56/57/628705657.db2.gz NBELEVOYHVTXDH-UKRRQHHQSA-N 1 1 313.850 3.060 20 10 DGCDMO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000825041022 628720192 /nfs/dbraw/zinc/72/01/92/628720192.db2.gz YXERQYJIYZFMFX-SKDRFNHKSA-N 1 1 315.772 3.006 20 10 DGCDMO OCCC[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000825338869 628751434 /nfs/dbraw/zinc/75/14/34/628751434.db2.gz WKMUTYZXXSBYRM-KRWDZBQOSA-N 1 1 302.462 3.271 20 10 DGCDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2c([O-])ccc(Cl)c2F)C1 ZINC000825337238 628751546 /nfs/dbraw/zinc/75/15/46/628751546.db2.gz FESDDSAJZKQMAB-LLVKDONJSA-N 1 1 300.805 3.099 20 10 DGCDMO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2c(O)ccc(Cl)c2F)C1 ZINC000825337238 628751547 /nfs/dbraw/zinc/75/15/47/628751547.db2.gz FESDDSAJZKQMAB-LLVKDONJSA-N 1 1 300.805 3.099 20 10 DGCDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2c(O)ccc(Cl)c2F)C1 ZINC000825337238 628751549 /nfs/dbraw/zinc/75/15/49/628751549.db2.gz FESDDSAJZKQMAB-LLVKDONJSA-N 1 1 300.805 3.099 20 10 DGCDMO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000825365113 628753824 /nfs/dbraw/zinc/75/38/24/628753824.db2.gz FSHLPLKNDPKQMH-GFCCVEGCSA-N 1 1 322.206 3.045 20 10 DGCDMO CC[C@@]1(O)CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000825567582 628774218 /nfs/dbraw/zinc/77/42/18/628774218.db2.gz KEEYSSFALDRJMC-GOSISDBHSA-N 1 1 307.434 3.045 20 10 DGCDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825939757 628812465 /nfs/dbraw/zinc/81/24/65/628812465.db2.gz GUWCXOVNZPNEBY-CQSZACIVSA-N 1 1 324.852 3.092 20 10 DGCDMO Cc1cnn([C@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)c1 ZINC000825955726 628814803 /nfs/dbraw/zinc/81/48/03/628814803.db2.gz PVIBZEQVOUHBIO-AWEZNQCLSA-N 1 1 305.809 3.306 20 10 DGCDMO Oc1cc(Br)ccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000826142649 628830815 /nfs/dbraw/zinc/83/08/15/628830815.db2.gz HFSNNTYEOBZOIR-GFCCVEGCSA-N 1 1 318.161 3.386 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000827172351 628931857 /nfs/dbraw/zinc/93/18/57/628931857.db2.gz RIAMONHTGZNRPA-ZBFHGGJFSA-N 1 1 307.752 3.453 20 10 DGCDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000827283669 628945906 /nfs/dbraw/zinc/94/59/06/628945906.db2.gz RCCOIDZHAKYQNJ-PKOBYXMFSA-N 1 1 300.446 3.145 20 10 DGCDMO 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Oc1cc(F)c(Cl)cc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840959650 630386486 /nfs/dbraw/zinc/38/64/86/630386486.db2.gz ZFBSDZUIIRGGOB-CJNGLKHVSA-N 1 1 321.779 3.493 20 10 DGCDMO CC[N@@H+](Cc1occc1C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000840969699 630388678 /nfs/dbraw/zinc/38/86/78/630388678.db2.gz JOLWCAAOLZOYCV-UHFFFAOYSA-N 1 1 320.345 3.233 20 10 DGCDMO CC(C)c1ccc([C@@H](N)C[NH2+]Cc2cccc(F)c2O)cc1 ZINC000841036780 630400065 /nfs/dbraw/zinc/40/00/65/630400065.db2.gz MKMOKJDKDATFDP-KRWDZBQOSA-N 1 1 302.393 3.444 20 10 DGCDMO CSc1ccc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841041199 630400702 /nfs/dbraw/zinc/40/07/02/630400702.db2.gz BTVGJMUXMMZAST-SFHVURJKSA-N 1 1 315.486 3.264 20 10 DGCDMO CCOCc1cc(C[NH2+][C@H](CN)C2CCCCC2)ccc1OC ZINC000841039479 630400728 /nfs/dbraw/zinc/40/07/28/630400728.db2.gz QWJJLNDGTJTUCS-GOSISDBHSA-N 1 1 320.477 3.229 20 10 DGCDMO CC(C)c1ncc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)s1 ZINC000841042115 630400765 /nfs/dbraw/zinc/40/07/65/630400765.db2.gz HWNORQVSCXFPGS-MRXNPFEDSA-N 1 1 318.490 3.122 20 10 DGCDMO CNC(=O)C1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841747682 630461776 /nfs/dbraw/zinc/46/17/76/630461776.db2.gz RYWCTDPFQHQFCL-ZBOXLXRLSA-N 1 1 310.825 3.001 20 10 DGCDMO C[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(Cl)cc1O ZINC000841756416 630462951 /nfs/dbraw/zinc/46/29/51/630462951.db2.gz XSYCRAPKZVDKLH-STQMWFEESA-N 1 1 313.825 3.139 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(Cl)cc1O ZINC000841756859 630462989 /nfs/dbraw/zinc/46/29/89/630462989.db2.gz CTOBWSCSYYYTDE-NEPJUHHUSA-N 1 1 309.793 3.140 20 10 DGCDMO CO[C@@H](CC(C)C)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000842151528 630498594 /nfs/dbraw/zinc/49/85/94/630498594.db2.gz CAIRSNLPGXEIHU-MSOLQXFVSA-N 1 1 321.461 3.434 20 10 DGCDMO Cc1cc(O)c(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)cc1C ZINC000842621967 630555046 /nfs/dbraw/zinc/55/50/46/630555046.db2.gz FNTQLKGWOMARRR-FQEVSTJZSA-N 1 1 311.425 3.275 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c1O ZINC000842644917 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Cc1cc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)ccc1N1CCCCC1 ZINC001647806502 1195254795 /nfs/dbraw/zinc/25/47/95/1195254795.db2.gz IFPJHZUGZKIGJK-PXNSSMCTSA-N 1 1 316.489 3.436 20 10 DGCDMO Cc1cc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)ccc1N(C)C ZINC001647866080 1195261857 /nfs/dbraw/zinc/26/18/57/1195261857.db2.gz GYQSDPFQVCVDHG-UHFFFAOYSA-N 1 1 314.473 3.452 20 10 DGCDMO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[N@H+]1C1CCCC1 ZINC001648327720 1195292276 /nfs/dbraw/zinc/29/22/76/1195292276.db2.gz LPPCAZVKQOASGI-MRXNPFEDSA-N 1 1 301.478 3.201 20 10 DGCDMO CC(C)[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001648591425 1195311036 /nfs/dbraw/zinc/31/10/36/1195311036.db2.gz LDGVNOFIRZHVHX-UXHICEINSA-N 1 1 315.505 3.447 20 10 DGCDMO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(N(C)C)cc1 ZINC001648591425 1195311040 /nfs/dbraw/zinc/31/10/40/1195311040.db2.gz LDGVNOFIRZHVHX-UXHICEINSA-N 1 1 315.505 3.447 20 10 DGCDMO CC(C)[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N1CCCC1 ZINC001655251089 1195896398 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C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001656963150 1196087684 /nfs/dbraw/zinc/08/76/84/1196087684.db2.gz VAIMLKBMGIKTTO-HKUYNNGSSA-N 1 1 315.505 3.354 20 10 DGCDMO Cc1ccc(NCc2ccc(N(C)C)c(F)c2)c(N(C)C)[nH+]1 ZINC001657707212 1196171453 /nfs/dbraw/zinc/17/14/53/1196171453.db2.gz CACBTIJJPYKWJD-UHFFFAOYSA-N 1 1 302.397 3.273 20 10 DGCDMO COc1cc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001657844199 1196184269 /nfs/dbraw/zinc/18/42/69/1196184269.db2.gz SSTBHPOEJRUJTD-UONOGXRCSA-N 1 1 320.477 3.223 20 10 DGCDMO COc1cc(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001657844199 1196184272 /nfs/dbraw/zinc/18/42/72/1196184272.db2.gz SSTBHPOEJRUJTD-UONOGXRCSA-N 1 1 320.477 3.223 20 10 DGCDMO COc1cc(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001657844199 1196184275 /nfs/dbraw/zinc/18/42/75/1196184275.db2.gz SSTBHPOEJRUJTD-UONOGXRCSA-N 1 1 320.477 3.223 20 10 DGCDMO CCc1cnc(C[N@H+](C)Cc2c(C)cc(OC)cc2O)s1 ZINC001658999403 1196331500 /nfs/dbraw/zinc/33/15/00/1196331500.db2.gz LVXOPGIAVHLJGU-UHFFFAOYSA-N 1 1 306.431 3.360 20 10 DGCDMO CCc1cnc(C[N@@H+](C)Cc2c(C)cc(OC)cc2O)s1 ZINC001658999403 1196331504 /nfs/dbraw/zinc/33/15/04/1196331504.db2.gz LVXOPGIAVHLJGU-UHFFFAOYSA-N 1 1 306.431 3.360 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCN(C)c3ccccc3C2)c1O ZINC001659112932 1196346262 /nfs/dbraw/zinc/34/62/62/1196346262.db2.gz XLBVZCCEBJQBIH-UHFFFAOYSA-N 1 1 312.413 3.161 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC001659239274 1196362054 /nfs/dbraw/zinc/36/20/54/1196362054.db2.gz DDXCYCKMCOBLJA-GUYCJALGSA-N 1 1 320.339 3.075 20 10 DGCDMO Oc1cc(F)c(F)cc1C[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC001659250319 1196363529 /nfs/dbraw/zinc/36/35/29/1196363529.db2.gz PMFOBCKLWKVEIS-UHFFFAOYSA-N 1 1 318.245 3.374 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC001659255041 1196364185 /nfs/dbraw/zinc/36/41/85/1196364185.db2.gz RJCLWHRYSONKKP-UHFFFAOYSA-N 1 1 322.758 3.116 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC001659255041 1196364187 /nfs/dbraw/zinc/36/41/87/1196364187.db2.gz RJCLWHRYSONKKP-UHFFFAOYSA-N 1 1 322.758 3.116 20 10 DGCDMO CC[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C ZINC001659527656 1196391510 /nfs/dbraw/zinc/39/15/10/1196391510.db2.gz JEQLKSARMBRHDJ-NVXWUHKLSA-N 1 1 302.462 3.268 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c(O)c1 ZINC001659606120 1196399263 /nfs/dbraw/zinc/39/92/63/1196399263.db2.gz WFPSZTUTZVGLDL-UHFFFAOYSA-N 1 1 317.433 3.362 20 10 DGCDMO COCC[N@@H+](Cc1c(C)cc(OC)cc1O)[C@H]1CC[C@@H](C)C1 ZINC001659643911 1196401767 /nfs/dbraw/zinc/40/17/67/1196401767.db2.gz MHZOANUDCPFCNC-HIFRSBDPSA-N 1 1 307.434 3.346 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC001659855674 1196422040 /nfs/dbraw/zinc/42/20/40/1196422040.db2.gz MJJCSCWMGIVHQL-NMBNSIPYSA-N 1 1 302.487 3.451 20 10 DGCDMO CN(C)c1cc(F)c(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1F ZINC001659867802 1196423751 /nfs/dbraw/zinc/42/37/51/1196423751.db2.gz HENNMFWPGGWVMW-HNNXBMFYSA-N 1 1 324.415 3.279 20 10 DGCDMO CC(C)([NH2+]Cc1cc(F)c(F)cc1O)[C@@H](O)c1ccccc1 ZINC001659902018 1196426928 /nfs/dbraw/zinc/42/69/28/1196426928.db2.gz KKDKAUYQTFBPFE-INIZCTEOSA-N 1 1 307.340 3.272 20 10 DGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c(C)cc(OC)cc2O)C12CCC2 ZINC001663821123 1196947908 /nfs/dbraw/zinc/94/79/08/1196947908.db2.gz CVSBZEUZMLHIKM-QZTJIDSGSA-N 1 1 319.445 3.489 20 10 DGCDMO C[N@H+](CCOc1ccccc1F)Cc1cc(F)cc(F)c1O ZINC001664095392 1196970846 /nfs/dbraw/zinc/97/08/46/1196970846.db2.gz IBYNFARSMAEVHE-UHFFFAOYSA-N 1 1 311.303 3.320 20 10 DGCDMO C[N@@H+](CCOc1ccccc1F)Cc1cc(F)cc(F)c1O ZINC001664095392 1196970848 /nfs/dbraw/zinc/97/08/48/1196970848.db2.gz IBYNFARSMAEVHE-UHFFFAOYSA-N 1 1 311.303 3.320 20 10 DGCDMO CCC[C@@]1(CO)CCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001664518434 1197009064 /nfs/dbraw/zinc/00/90/64/1197009064.db2.gz FHMOPXZQTPWZGL-WPGJWXSHSA-N 1 1 302.462 3.393 20 10 DGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)C[C@H](O)Cc2ccccc2)cc1 ZINC001664873492 1197073284 /nfs/dbraw/zinc/07/32/84/1197073284.db2.gz SFOVIAOKPIRQGC-PWYGHMFVSA-N 1 1 324.468 3.301 20 10 DGCDMO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)c1ccccc1[N+](=O)[O-] ZINC001665587279 1197154820 /nfs/dbraw/zinc/15/48/20/1197154820.db2.gz HFMMZHLGAVDGOW-SECBINFHSA-N 1 1 308.284 3.429 20 10 DGCDMO Cc1ccc(NCC[NH2+]Cc2cc(Cl)c(F)cc2O)nc1 ZINC001665723574 1197181621 /nfs/dbraw/zinc/18/16/21/1197181621.db2.gz ICTURLHFYLJVGP-UHFFFAOYSA-N 1 1 309.772 3.090 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(N)cc1 ZINC000382663016 1197705183 /nfs/dbraw/zinc/70/51/83/1197705183.db2.gz JGJZGOUOXQMWJW-KRWDZBQOSA-N 1 1 309.457 3.365 20 10 DGCDMO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(N)cc1 ZINC000382663016 1197705185 /nfs/dbraw/zinc/70/51/85/1197705185.db2.gz JGJZGOUOXQMWJW-KRWDZBQOSA-N 1 1 309.457 3.365 20 10 DGCDMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1Cc1ccc(N)cc1 ZINC000382663016 1197705189 /nfs/dbraw/zinc/70/51/89/1197705189.db2.gz JGJZGOUOXQMWJW-KRWDZBQOSA-N 1 1 309.457 3.365 20 10 DGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(OC)cc2OC)c(O)c1 ZINC000160839906 1202646713 /nfs/dbraw/zinc/64/67/13/1202646713.db2.gz XHJHQQJSRNNOES-UHFFFAOYSA-N 1 1 317.385 3.050 20 10 DGCDMO Cc1c(O)ccc(C[N@@H+](C)CCC(=O)c2cccs2)c1O ZINC001140747544 1082959326 /nfs/dbraw/zinc/95/93/26/1082959326.db2.gz FGWQNZIEDKYKKG-UHFFFAOYSA-N 1 1 305.399 3.173 20 10 DGCDMO COc1cc(C)c(C[NH+]2CC(OC)(c3ccccc3)C2)c(O)c1 ZINC001181544242 1083488150 /nfs/dbraw/zinc/48/81/50/1083488150.db2.gz NRHKUSKMBDENIG-UHFFFAOYSA-N 1 1 313.397 3.067 20 10 DGCDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001181590618 1083497228 /nfs/dbraw/zinc/49/72/28/1083497228.db2.gz OSOBWCAAKBJRBL-KRWDZBQOSA-N 1 1 318.461 3.396 20 10 DGCDMO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001182173846 1083627763 /nfs/dbraw/zinc/62/77/63/1083627763.db2.gz MCCCTHFDWZLDHY-MRXNPFEDSA-N 1 1 320.433 3.226 20 10 DGCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001204326272 1083648350 /nfs/dbraw/zinc/64/83/50/1083648350.db2.gz WRSCQRRYCWRBDL-IBGZPJMESA-N 1 1 300.446 3.432 20 10 DGCDMO Oc1ccc(Br)cc1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001203635917 1084630856 /nfs/dbraw/zinc/63/08/56/1084630856.db2.gz LEDMSPYGZHSIGD-GFCCVEGCSA-N 1 1 302.187 3.479 20 10 DGCDMO Oc1ccc(Br)cc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001203635917 1084630858 /nfs/dbraw/zinc/63/08/58/1084630858.db2.gz LEDMSPYGZHSIGD-GFCCVEGCSA-N 1 1 302.187 3.479 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@](C)(CO)C2)cc1F ZINC000093340750 1087087475 /nfs/dbraw/zinc/08/74/75/1087087475.db2.gz UOHSCFNUHNTPIU-GOSISDBHSA-N 1 1 308.441 3.266 20 10 DGCDMO Cc1cccc(O[C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001142530414 1087278635 /nfs/dbraw/zinc/27/86/35/1087278635.db2.gz HDIWNJRMNZMXER-CYBMUJFWSA-N 1 1 320.339 3.027 20 10 DGCDMO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001142530414 1087278640 /nfs/dbraw/zinc/27/86/40/1087278640.db2.gz HDIWNJRMNZMXER-CYBMUJFWSA-N 1 1 320.339 3.027 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)CC[C@]1(C)O ZINC001237121374 1090286253 /nfs/dbraw/zinc/28/62/53/1090286253.db2.gz LPLWUWCADXRFFB-BMIGLBTASA-N 1 1 301.789 3.168 20 10 DGCDMO COc1ccccc1[C@@H](O)C[N@@H+](Cc1ccccc1O)C(C)C ZINC001203558457 1090613405 /nfs/dbraw/zinc/61/34/05/1090613405.db2.gz HTANVMVZHVDPRJ-SFHVURJKSA-N 1 1 315.413 3.345 20 10 DGCDMO CC1(C)[N@@H+](Cc2ccccc2O)CC[C@]12c1ccccc1OC2=O ZINC001203560906 1090756377 /nfs/dbraw/zinc/75/63/77/1090756377.db2.gz KGECHANOYHBXGN-HXUWFJFHSA-N 1 1 323.392 3.234 20 10 DGCDMO Oc1ccccc1C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001203561652 1090756618 /nfs/dbraw/zinc/75/66/18/1090756618.db2.gz XRLRTYHJLLEOQB-HKUYNNGSSA-N 1 1 308.425 3.099 20 10 DGCDMO O=C1c2ccccc2CN1[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC001203560873 1090756807 /nfs/dbraw/zinc/75/68/07/1090756807.db2.gz IRRULKABHMLEKB-QGZVFWFLSA-N 1 1 322.408 3.013 20 10 DGCDMO COc1cccc(C[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c1O ZINC001203601573 1090765614 /nfs/dbraw/zinc/76/56/14/1090765614.db2.gz AVBLXRDFVPJIQI-MRXNPFEDSA-N 1 1 311.381 3.106 20 10 DGCDMO COc1ccc(C[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c(O)c1 ZINC001203634366 1090769999 /nfs/dbraw/zinc/76/99/99/1090769999.db2.gz BJIAQJBHPGBBNQ-MRXNPFEDSA-N 1 1 311.381 3.106 20 10 DGCDMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203648773 1090772468 /nfs/dbraw/zinc/77/24/68/1090772468.db2.gz UBJAZMVMZQUASA-CYBMUJFWSA-N 1 1 324.852 3.126 20 10 DGCDMO CC(C)c1nc(CC[N@@H+](C)Cc2cc(Cl)ccc2O)no1 ZINC001203651224 1090773382 /nfs/dbraw/zinc/77/33/82/1090773382.db2.gz LASYOLXVWCLEKS-UHFFFAOYSA-N 1 1 309.797 3.227 20 10 DGCDMO C[N@@H+](Cc1cncs1)Cc1cc(Br)ccc1O ZINC001203650519 1090773667 /nfs/dbraw/zinc/77/36/67/1090773667.db2.gz VXNRACVGKVDJIS-UHFFFAOYSA-N 1 1 313.220 3.243 20 10 DGCDMO Oc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1O ZINC001203879063 1090826522 /nfs/dbraw/zinc/82/65/22/1090826522.db2.gz ZQGYUMQWLNMXQM-UHFFFAOYSA-N 1 1 318.804 3.073 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)cc1 ZINC001203930232 1090841508 /nfs/dbraw/zinc/84/15/08/1090841508.db2.gz OTNGGNSWUXZYKM-MRXNPFEDSA-N 1 1 320.433 3.279 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2[C@@H](C(=O)OC)[C@@H]3CC[C@H]2C3)cc1 ZINC001203943409 1090847477 /nfs/dbraw/zinc/84/74/77/1090847477.db2.gz ADBTVVSADQNXAL-BPQIPLTHSA-N 1 1 316.445 3.059 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2[C@@H](C(=O)OC)[C@@H]3CC[C@H]2C3)cc1 ZINC001203943409 1090847484 /nfs/dbraw/zinc/84/74/84/1090847484.db2.gz ADBTVVSADQNXAL-BPQIPLTHSA-N 1 1 316.445 3.059 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CC[C@@]1(C)O ZINC001204233587 1090930227 /nfs/dbraw/zinc/93/02/27/1090930227.db2.gz RWJAFLJZHGTVHL-FOIQADDNSA-N 1 1 312.457 3.499 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCc3c(cnn3C)C2)c2ccccc21 ZINC001204240271 1090931563 /nfs/dbraw/zinc/93/15/63/1090931563.db2.gz MYTIVNMREDPBTQ-UHFFFAOYSA-N 1 1 320.440 3.198 20 10 DGCDMO CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N(C)C)c4ccccc34)C[C@@H]2C1 ZINC001204241015 1090932150 /nfs/dbraw/zinc/93/21/50/1090932150.db2.gz RIBSYOHEFXLEPW-HDICACEKSA-N 1 1 323.484 3.289 20 10 DGCDMO CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N(C)C)c4ccccc34)C[C@@H]2C1 ZINC001204241015 1090932153 /nfs/dbraw/zinc/93/21/53/1090932153.db2.gz RIBSYOHEFXLEPW-HDICACEKSA-N 1 1 323.484 3.289 20 10 DGCDMO CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N(C)C)c4ccccc34)C[C@@H]2C1 ZINC001204241015 1090932157 /nfs/dbraw/zinc/93/21/57/1090932157.db2.gz RIBSYOHEFXLEPW-HDICACEKSA-N 1 1 323.484 3.289 20 10 DGCDMO CCN1C[C@@H]2C[N@@H+](Cc3ccc(N(C)C)c4ccccc34)C[C@@H]2C1 ZINC001204241015 1090932162 /nfs/dbraw/zinc/93/21/62/1090932162.db2.gz RIBSYOHEFXLEPW-HDICACEKSA-N 1 1 323.484 3.289 20 10 DGCDMO CCN1C[C@@H]2C[N@H+](Cc3ccc(N(C)C)c4ccccc34)C[C@@H]2C1 ZINC001204241015 1090932167 /nfs/dbraw/zinc/93/21/67/1090932167.db2.gz RIBSYOHEFXLEPW-HDICACEKSA-N 1 1 323.484 3.289 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCn3cncc3C2)c2ccccc21 ZINC001204240539 1090933183 /nfs/dbraw/zinc/93/31/83/1090933183.db2.gz XJUNQNVKHRIWEG-UHFFFAOYSA-N 1 1 306.413 3.118 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCn3cncc3C2)c2ccccc21 ZINC001204240539 1090933189 /nfs/dbraw/zinc/93/31/89/1090933189.db2.gz XJUNQNVKHRIWEG-UHFFFAOYSA-N 1 1 306.413 3.118 20 10 DGCDMO CC(C)(C)c1cccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1O ZINC001143103488 1090934735 /nfs/dbraw/zinc/93/47/35/1090934735.db2.gz DQVLTDSCHGDPLL-ZDUSSCGKSA-N 1 1 313.388 3.139 20 10 DGCDMO COc1cccc(CCC[N@@H+](C)Cc2ccc(O)cc2O)c1 ZINC001204279983 1090939192 /nfs/dbraw/zinc/93/91/92/1090939192.db2.gz HJVIDNSLBDTICC-UHFFFAOYSA-N 1 1 301.386 3.171 20 10 DGCDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204323005 1090949293 /nfs/dbraw/zinc/94/92/93/1090949293.db2.gz YUWAJDYKVFIPNC-IBGZPJMESA-N 1 1 316.445 3.062 20 10 DGCDMO c1cncc(O[C@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)c1 ZINC001204327027 1090949585 /nfs/dbraw/zinc/94/95/85/1090949585.db2.gz LSCLKVMLYFZPFD-FQEVSTJZSA-N 1 1 323.440 3.335 20 10 DGCDMO CCC[N@H+]1C[C@H]2CN(Cc3ccc(N4CCCC4)cc3)C[C@H]2C1 ZINC001204328531 1090950636 /nfs/dbraw/zinc/95/06/36/1090950636.db2.gz INJNHPMGRSGJQF-KDURUIRLSA-N 1 1 313.489 3.060 20 10 DGCDMO CCC[N@@H+]1C[C@H]2CN(Cc3ccc(N4CCCC4)cc3)C[C@H]2C1 ZINC001204328531 1090950641 /nfs/dbraw/zinc/95/06/41/1090950641.db2.gz INJNHPMGRSGJQF-KDURUIRLSA-N 1 1 313.489 3.060 20 10 DGCDMO COc1cc(C[N@H+]2CCCC3(CC(F)C3)CC2)cc(O)c1O ZINC001204344816 1090952597 /nfs/dbraw/zinc/95/25/97/1090952597.db2.gz DTIXQJKHVPJLKU-UHFFFAOYSA-N 1 1 309.381 3.211 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)cc(O)c1O ZINC001204345154 1090952736 /nfs/dbraw/zinc/95/27/36/1090952736.db2.gz IHDHTVLSJYBBSI-CQSZACIVSA-N 1 1 317.360 3.235 20 10 DGCDMO CC[N@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)C1CCCCC1 ZINC001204597988 1091004490 /nfs/dbraw/zinc/00/44/90/1091004490.db2.gz DZFHVFBEIRICBB-UHFFFAOYSA-N 1 1 304.434 3.029 20 10 DGCDMO CC[N@@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)C1CCCCC1 ZINC001204597988 1091004497 /nfs/dbraw/zinc/00/44/97/1091004497.db2.gz DZFHVFBEIRICBB-UHFFFAOYSA-N 1 1 304.434 3.029 20 10 DGCDMO COc1ccc(C[C@@H]2CC[N@@H+]2Cc2cc(F)c(F)cc2O)cc1 ZINC001204640596 1091010713 /nfs/dbraw/zinc/01/07/13/1091010713.db2.gz OWMFJRYPRFAVDZ-AWEZNQCLSA-N 1 1 319.351 3.496 20 10 DGCDMO COc1ccc(C[C@@H]2CC[N@H+]2Cc2cc(F)c(F)cc2O)cc1 ZINC001204640596 1091010720 /nfs/dbraw/zinc/01/07/20/1091010720.db2.gz OWMFJRYPRFAVDZ-AWEZNQCLSA-N 1 1 319.351 3.496 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2c(O)cccc2F)CCC[C@]1(O)C(F)(F)F ZINC001137831691 1091092300 /nfs/dbraw/zinc/09/23/00/1091092300.db2.gz KBRBYBNKVASDJA-QMTHXVAHSA-N 1 1 321.314 3.057 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2F)CCC[C@]1(O)C(F)(F)F ZINC001137831691 1091092306 /nfs/dbraw/zinc/09/23/06/1091092306.db2.gz KBRBYBNKVASDJA-QMTHXVAHSA-N 1 1 321.314 3.057 20 10 DGCDMO Cc1ccccc1OCC[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC001205113934 1091105281 /nfs/dbraw/zinc/10/52/81/1091105281.db2.gz BBWXQACDJPOAIX-UHFFFAOYSA-N 1 1 307.340 3.490 20 10 DGCDMO Cc1ccccc1OCC[N@H+](C)Cc1cc(F)cc(F)c1O ZINC001205113934 1091105284 /nfs/dbraw/zinc/10/52/84/1091105284.db2.gz BBWXQACDJPOAIX-UHFFFAOYSA-N 1 1 307.340 3.490 20 10 DGCDMO C[NH+]1CCN(C2(c3ccc(Nc4ccc(N)cc4)cc3)CC2)CC1 ZINC001205113383 1091105422 /nfs/dbraw/zinc/10/54/22/1091105422.db2.gz JTAUKHNKVLLKFN-UHFFFAOYSA-N 1 1 322.456 3.249 20 10 DGCDMO CC[N@@H+](CCCC(=O)OC)Cc1ccc(N2CCCCC2)cc1 ZINC001138215723 1091118764 /nfs/dbraw/zinc/11/87/64/1091118764.db2.gz RDOXXULZCVHYAE-UHFFFAOYSA-N 1 1 318.461 3.452 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[NH+]1CCC(N2CCC2)CC1 ZINC001138222405 1091119748 /nfs/dbraw/zinc/11/97/48/1091119748.db2.gz WLIZPAWJVOVYHT-UHFFFAOYSA-N 1 1 313.489 3.347 20 10 DGCDMO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1c(C)n(C)c2ccccc21 ZINC001138253688 1091126759 /nfs/dbraw/zinc/12/67/59/1091126759.db2.gz CFVYADAUSQTZLI-KUHUBIRLSA-N 1 1 312.413 3.014 20 10 DGCDMO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1c(C)n(C)c2ccccc21 ZINC001138253688 1091126763 /nfs/dbraw/zinc/12/67/63/1091126763.db2.gz CFVYADAUSQTZLI-KUHUBIRLSA-N 1 1 312.413 3.014 20 10 DGCDMO COC(=O)C[C@H]1CCC[N@@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138258288 1091127707 /nfs/dbraw/zinc/12/77/07/1091127707.db2.gz OMNRRYDBUFVRCD-OAHLLOKOSA-N 1 1 314.429 3.262 20 10 DGCDMO Oc1c(C[N@H+]2CCC[C@@H](CF)C2)cc2c3c1CCCN3CCC2 ZINC001138336840 1091145579 /nfs/dbraw/zinc/14/55/79/1091145579.db2.gz FZSIKIVPWARKHU-AWEZNQCLSA-N 1 1 318.436 3.273 20 10 DGCDMO C[N@@H+](CCC1CC1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138340299 1091147348 /nfs/dbraw/zinc/14/73/48/1091147348.db2.gz SRYMLSUEVBSJLN-UHFFFAOYSA-N 1 1 300.446 3.323 20 10 DGCDMO C[C@H]1C[C@H]2C[N@@H+](Cc3ccc4c(c3)CCCN4C)CC[C@H]2O1 ZINC001138354958 1091150310 /nfs/dbraw/zinc/15/03/10/1091150310.db2.gz DWQDUZQXCTXCPA-UCLAIMLFSA-N 1 1 300.446 3.068 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)ccc21 ZINC001138356121 1091150700 /nfs/dbraw/zinc/15/07/00/1091150700.db2.gz IEDBXVXOYDLBLT-LJQANCHMSA-N 1 1 323.440 3.117 20 10 DGCDMO CCC[N@@H+](Cc1ccc2c(c1)CCCN2C)C1CCOCC1 ZINC001138359598 1091152561 /nfs/dbraw/zinc/15/25/61/1091152561.db2.gz VJSRCZLCLSBQJR-UHFFFAOYSA-N 1 1 302.462 3.460 20 10 DGCDMO CN1CCCc2cc(C[N@H+]3CCC[C@H]3c3cnccn3)ccc21 ZINC001138357770 1091152831 /nfs/dbraw/zinc/15/28/31/1091152831.db2.gz JUAIXODQLTZYJQ-IBGZPJMESA-N 1 1 308.429 3.196 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](CO)CC[C@H]2C)c(OC)c1 ZINC001138386475 1091161215 /nfs/dbraw/zinc/16/12/15/1091161215.db2.gz NYUDDHGUMDGXFC-CVEARBPZSA-N 1 1 320.477 3.134 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCCO[C@@H](C)C2)c(OC)c1 ZINC001138386191 1091161307 /nfs/dbraw/zinc/16/13/07/1091161307.db2.gz IXTHRXVJYXQKBU-HNNXBMFYSA-N 1 1 306.450 3.152 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c(OC)c1 ZINC001138389211 1091163075 /nfs/dbraw/zinc/16/30/75/1091163075.db2.gz FOMBMNUIMGFNCL-IRXDYDNUSA-N 1 1 318.461 3.010 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCOC(C)(C)C2)c(OC)c1 ZINC001138387709 1091164047 /nfs/dbraw/zinc/16/40/47/1091164047.db2.gz ISZMULJAYGWVTN-UHFFFAOYSA-N 1 1 306.450 3.152 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC(C)(C)C2)c(OC)c1 ZINC001138387709 1091164049 /nfs/dbraw/zinc/16/40/49/1091164049.db2.gz ISZMULJAYGWVTN-UHFFFAOYSA-N 1 1 306.450 3.152 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)c(OC)c1 ZINC001138392293 1091164667 /nfs/dbraw/zinc/16/46/67/1091164667.db2.gz UTSKKDCGNNDCNF-LJQANCHMSA-N 1 1 320.477 3.398 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)c(OC)c1 ZINC001138392293 1091164671 /nfs/dbraw/zinc/16/46/71/1091164671.db2.gz UTSKKDCGNNDCNF-LJQANCHMSA-N 1 1 320.477 3.398 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c(OC)c1 ZINC001138390435 1091166137 /nfs/dbraw/zinc/16/61/37/1091166137.db2.gz WZQQUAWHVCQKMF-AEFFLSMTSA-N 1 1 318.461 3.152 20 10 DGCDMO C[C@]1([NH3+])CCCN(Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001205289610 1091167592 /nfs/dbraw/zinc/16/75/92/1091167592.db2.gz ZPHMLIFBIXUMSG-AWEZNQCLSA-N 1 1 302.340 3.114 20 10 DGCDMO C[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@@H]1C[NH3+] ZINC001205319350 1091184277 /nfs/dbraw/zinc/18/42/77/1091184277.db2.gz ZGMARCAKMSEVSN-YJBOKZPZSA-N 1 1 310.441 3.476 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2[O-])C[C@@H]1C[NH3+] ZINC001205319350 1091184281 /nfs/dbraw/zinc/18/42/81/1091184281.db2.gz ZGMARCAKMSEVSN-YJBOKZPZSA-N 1 1 310.441 3.476 20 10 DGCDMO [NH3+]C[C@]1(F)CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001205570981 1091259073 /nfs/dbraw/zinc/25/90/73/1091259073.db2.gz RCQBVUIHCQXXIX-SFHVURJKSA-N 1 1 302.393 3.198 20 10 DGCDMO [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001205570981 1091259078 /nfs/dbraw/zinc/25/90/78/1091259078.db2.gz RCQBVUIHCQXXIX-SFHVURJKSA-N 1 1 302.393 3.198 20 10 DGCDMO Cc1cc([O-])c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Cl ZINC001205571783 1091260247 /nfs/dbraw/zinc/26/02/47/1091260247.db2.gz XQWXKKGIXQRXCZ-OAHLLOKOSA-N 1 1 300.805 3.007 20 10 DGCDMO Cc1cc([O-])c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Cl ZINC001205571783 1091260254 /nfs/dbraw/zinc/26/02/54/1091260254.db2.gz XQWXKKGIXQRXCZ-OAHLLOKOSA-N 1 1 300.805 3.007 20 10 DGCDMO C[N@H+](Cc1ccc(O)cc1)Cc1c(O)cccc1Br ZINC001205696899 1091316061 /nfs/dbraw/zinc/31/60/61/1091316061.db2.gz QINDCBXEDRVDSH-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO C[N@@H+](Cc1ccc(O)cc1)Cc1c(O)cccc1Br ZINC001205696899 1091316069 /nfs/dbraw/zinc/31/60/69/1091316069.db2.gz QINDCBXEDRVDSH-UHFFFAOYSA-N 1 1 322.202 3.492 20 10 DGCDMO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001139124535 1091456543 /nfs/dbraw/zinc/45/65/43/1091456543.db2.gz BTWFWOOMRVRSOP-UONOGXRCSA-N 1 1 313.397 3.429 20 10 DGCDMO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCC[C@@H]1C[NH3+] ZINC001206025414 1091457532 /nfs/dbraw/zinc/45/75/32/1091457532.db2.gz NWIHWQLIGWCXSJ-VXGBXAGGSA-N 1 1 316.367 3.218 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCC[C@@H]1C[NH3+] ZINC001206025414 1091457536 /nfs/dbraw/zinc/45/75/36/1091457536.db2.gz NWIHWQLIGWCXSJ-VXGBXAGGSA-N 1 1 316.367 3.218 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)nc1)Cc1ccccc1O ZINC001139345589 1091527037 /nfs/dbraw/zinc/52/70/37/1091527037.db2.gz RZORXOCHURSSBG-UHFFFAOYSA-N 1 1 311.429 3.410 20 10 DGCDMO C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001206326868 1091580640 /nfs/dbraw/zinc/58/06/40/1091580640.db2.gz PYFAYILUERRHGB-HNNXBMFYSA-N 1 1 316.367 3.362 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)ccc1N(C)C ZINC001139671654 1091637404 /nfs/dbraw/zinc/63/74/04/1091637404.db2.gz NDWSARNELWEYRK-LEWJYISDSA-N 1 1 324.468 3.239 20 10 DGCDMO Cc1cc(C[N@@H+]2CCO[C@H](c3ccccn3)C2)ccc1N(C)C ZINC001139673009 1091638059 /nfs/dbraw/zinc/63/80/59/1091638059.db2.gz NWOVTPDEYNEVDT-IBGZPJMESA-N 1 1 311.429 3.030 20 10 DGCDMO Cc1cc(C[N@H+]2CCO[C@H](c3ccccn3)C2)ccc1N(C)C ZINC001139673009 1091638071 /nfs/dbraw/zinc/63/80/71/1091638071.db2.gz NWOVTPDEYNEVDT-IBGZPJMESA-N 1 1 311.429 3.030 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001206728914 1091715401 /nfs/dbraw/zinc/71/54/01/1091715401.db2.gz XYMYVKDQSRVVLD-OAHLLOKOSA-N 1 1 305.324 3.324 20 10 DGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001206728914 1091715407 /nfs/dbraw/zinc/71/54/07/1091715407.db2.gz XYMYVKDQSRVVLD-OAHLLOKOSA-N 1 1 305.324 3.324 20 10 DGCDMO CCN(CC)c1ccc(CN2C[C@@H](C[NH3+])CC[C@H]2C)c(OC)c1 ZINC001206769776 1091732926 /nfs/dbraw/zinc/73/29/26/1091732926.db2.gz QGFPXQXBFULJOR-HZPDHXFCSA-N 1 1 319.493 3.101 20 10 DGCDMO Oc1ccc(F)cc1C[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001140055454 1091751632 /nfs/dbraw/zinc/75/16/32/1091751632.db2.gz ZRDMWTPUKGNXND-UHFFFAOYSA-N 1 1 316.376 3.108 20 10 DGCDMO C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140058507 1091752681 /nfs/dbraw/zinc/75/26/81/1091752681.db2.gz DJQMZJFNOAMCIB-IRXDYDNUSA-N 1 1 306.425 3.370 20 10 DGCDMO C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC001140058507 1091752686 /nfs/dbraw/zinc/75/26/86/1091752686.db2.gz DJQMZJFNOAMCIB-IRXDYDNUSA-N 1 1 306.425 3.370 20 10 DGCDMO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cc(F)ccc1O ZINC001140058507 1091752697 /nfs/dbraw/zinc/75/26/97/1091752697.db2.gz DJQMZJFNOAMCIB-IRXDYDNUSA-N 1 1 306.425 3.370 20 10 DGCDMO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cc(F)ccc1O ZINC001140058507 1091752704 /nfs/dbraw/zinc/75/27/04/1091752704.db2.gz DJQMZJFNOAMCIB-IRXDYDNUSA-N 1 1 306.425 3.370 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001140055688 1091752804 /nfs/dbraw/zinc/75/28/04/1091752804.db2.gz PLGFIPCBEBKKSV-AWEZNQCLSA-N 1 1 323.314 3.463 20 10 DGCDMO Oc1cccc(Br)c1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001140098934 1091766878 /nfs/dbraw/zinc/76/68/78/1091766878.db2.gz ULAQBXNOSRMSKR-SNVBAGLBSA-N 1 1 302.187 3.479 20 10 DGCDMO Oc1cccc(Br)c1C[N@H+]1CCCC[C@@H](F)C1 ZINC001140098934 1091766886 /nfs/dbraw/zinc/76/68/86/1091766886.db2.gz ULAQBXNOSRMSKR-SNVBAGLBSA-N 1 1 302.187 3.479 20 10 DGCDMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140179554 1091791406 /nfs/dbraw/zinc/79/14/06/1091791406.db2.gz FKGAEABTVXRJNE-MRXNPFEDSA-N 1 1 318.461 3.089 20 10 DGCDMO Cc1cccc(O[C@H]2CC[N@@H+](Cc3c(C)ccc(C)c3O)C2)n1 ZINC001140184998 1091795198 /nfs/dbraw/zinc/79/51/98/1091795198.db2.gz NTXISECWOABXJZ-INIZCTEOSA-N 1 1 312.413 3.366 20 10 DGCDMO CCOC(=O)C[C@@H]1CC[N@@H+](Cc2c(C)ccc(C)c2O)C[C@@H]1C ZINC001140184853 1091795627 /nfs/dbraw/zinc/79/56/27/1091795627.db2.gz IKTOUJSHEWQWBA-HOTGVXAUSA-N 1 1 319.445 3.420 20 10 DGCDMO C[N@@H+](CCc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140281889 1091815174 /nfs/dbraw/zinc/81/51/74/1091815174.db2.gz SASWHEDCCDFCKW-UHFFFAOYSA-N 1 1 324.468 3.322 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CC4CCC3CC4)cc2)CC1 ZINC001140284969 1091817378 /nfs/dbraw/zinc/81/73/78/1091817378.db2.gz AQLFBFSDLQYEML-UHFFFAOYSA-N 1 1 300.446 3.022 20 10 DGCDMO COc1ccc([C@@H]([NH2+]Cc2cc(F)c(F)cc2O)C2CC2)cn1 ZINC001207025315 1091822222 /nfs/dbraw/zinc/82/22/22/1091822222.db2.gz DBDGGJDNCBQABL-KRWDZBQOSA-N 1 1 320.339 3.315 20 10 DGCDMO C[N@H+](Cc1c(O)cccc1Cl)C[C@@H]1Cc2ccccc2O1 ZINC001140342576 1091836151 /nfs/dbraw/zinc/83/61/51/1091836151.db2.gz PQNCMZMPZVBYTC-ZDUSSCGKSA-N 1 1 303.789 3.481 20 10 DGCDMO CCOc1ccc(N2CC[NH+](Cc3c(C)noc3C)CC2)cc1 ZINC001207139794 1091858655 /nfs/dbraw/zinc/85/86/55/1091858655.db2.gz ILCLYJRFMOEQHK-UHFFFAOYSA-N 1 1 315.417 3.012 20 10 DGCDMO Cn1cc(C[N@H+]2Cc3cccc(O)c3C2)c(-c2ccc(F)cc2)n1 ZINC001207242938 1091898605 /nfs/dbraw/zinc/89/86/05/1091898605.db2.gz GWMLKKSSRHVRJN-UHFFFAOYSA-N 1 1 323.371 3.448 20 10 DGCDMO COc1ccc(CC[N@@H+](C)Cc2cc(C)ccc2O)cc1OC ZINC001140617661 1091933384 /nfs/dbraw/zinc/93/33/84/1091933384.db2.gz VFZUTMSFGDXRMY-UHFFFAOYSA-N 1 1 315.413 3.392 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCN3CCc4ccccc4[C@H]3C2)c1 ZINC001140623136 1091935320 /nfs/dbraw/zinc/93/53/20/1091935320.db2.gz GZKZCNYDVCVQMQ-LJQANCHMSA-N 1 1 308.425 3.116 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2ccc(O)c(C)c2O)cc(OC)c1 ZINC001140745371 1091983282 /nfs/dbraw/zinc/98/32/82/1091983282.db2.gz HKEATXLCXVHAHW-UHFFFAOYSA-N 1 1 317.385 3.055 20 10 DGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H](OCc3ccccc3)C2)c1O ZINC001140745577 1091983676 /nfs/dbraw/zinc/98/36/76/1091983676.db2.gz KZDHMLLPAFJIAR-KRWDZBQOSA-N 1 1 313.397 3.197 20 10 DGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)c1O ZINC001140743963 1091983869 /nfs/dbraw/zinc/98/38/69/1091983869.db2.gz GOLQTTQWHXVDRM-CYBMUJFWSA-N 1 1 307.287 3.130 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)c(O)c1 ZINC001140850028 1092028827 /nfs/dbraw/zinc/02/88/27/1092028827.db2.gz AVXORAOBXSFHDA-HIFRSBDPSA-N 1 1 310.388 3.325 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c(O)c1 ZINC001140851044 1092029257 /nfs/dbraw/zinc/02/92/57/1092029257.db2.gz ZBKATQMDNGBIPI-KXBFYZLASA-N 1 1 318.461 3.239 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCc3ncccc3C2)c(O)c1 ZINC001140855214 1092030916 /nfs/dbraw/zinc/03/09/16/1092030916.db2.gz RSLJSXBKPNAXKE-UHFFFAOYSA-N 1 1 311.429 3.192 20 10 DGCDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2Cl)[C@@H]1C ZINC001140925284 1092065101 /nfs/dbraw/zinc/06/51/01/1092065101.db2.gz QWVMSWBAZWRENS-IUODEOHRSA-N 1 1 324.852 3.180 20 10 DGCDMO Cc1ccc(C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140949503 1092074185 /nfs/dbraw/zinc/07/41/85/1092074185.db2.gz CEWUFFUONCXTBK-HNNXBMFYSA-N 1 1 305.418 3.254 20 10 DGCDMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c(O)c1 ZINC001140951058 1092076527 /nfs/dbraw/zinc/07/65/27/1092076527.db2.gz WVBHHRAYOZKFRG-OALUTQOASA-N 1 1 308.425 3.159 20 10 DGCDMO Cc1ccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c(O)c1 ZINC001140951058 1092076536 /nfs/dbraw/zinc/07/65/36/1092076536.db2.gz WVBHHRAYOZKFRG-OALUTQOASA-N 1 1 308.425 3.159 20 10 DGCDMO Cc1ccc(CN2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)c(O)c1 ZINC001140951058 1092076543 /nfs/dbraw/zinc/07/65/43/1092076543.db2.gz WVBHHRAYOZKFRG-OALUTQOASA-N 1 1 308.425 3.159 20 10 DGCDMO Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)c(O)c1 ZINC001140951105 1092077780 /nfs/dbraw/zinc/07/77/80/1092077780.db2.gz ZDCHZOUFTOXGBI-ICSRJNTNSA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1ccc(CN2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)c(O)c1 ZINC001140951105 1092077790 /nfs/dbraw/zinc/07/77/90/1092077790.db2.gz ZDCHZOUFTOXGBI-ICSRJNTNSA-N 1 1 322.452 3.407 20 10 DGCDMO Cc1ccc(CN2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)c(O)c1 ZINC001140951105 1092077801 /nfs/dbraw/zinc/07/78/01/1092077801.db2.gz ZDCHZOUFTOXGBI-ICSRJNTNSA-N 1 1 322.452 3.407 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c1O ZINC001207835745 1092111154 /nfs/dbraw/zinc/11/11/54/1092111154.db2.gz DREXFGHNZQHDSP-UHFFFAOYSA-N 1 1 306.450 3.062 20 10 DGCDMO COc1cc(C)cc(CN2CCC(C)(C)[NH2+]C(C)(C)C2)c1O ZINC001207835745 1092111158 /nfs/dbraw/zinc/11/11/58/1092111158.db2.gz DREXFGHNZQHDSP-UHFFFAOYSA-N 1 1 306.450 3.062 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c(OC)c1 ZINC001141026900 1092111493 /nfs/dbraw/zinc/11/14/93/1092111493.db2.gz HHWRBEKVHDIHGL-JTQLQIEISA-N 1 1 319.323 3.184 20 10 DGCDMO COc1cc(O)c(C[N@@H+](C)CCc2ccc(F)cc2)c(OC)c1 ZINC001141028597 1092111527 /nfs/dbraw/zinc/11/15/27/1092111527.db2.gz WOWDAZNUWQEDAO-UHFFFAOYSA-N 1 1 319.376 3.223 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)[C@@H](C)C1 ZINC001141079269 1092131056 /nfs/dbraw/zinc/13/10/56/1092131056.db2.gz ZPGLRYNLJGQNQL-KXBFYZLASA-N 1 1 314.473 3.385 20 10 DGCDMO O=C1CCC[C@@H]2C[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)C[C@@H]12 ZINC001141079132 1092131326 /nfs/dbraw/zinc/13/13/26/1092131326.db2.gz UMACMGGXNQQFNI-RTBURBONSA-N 1 1 324.468 3.186 20 10 DGCDMO CC(=O)[C@H]1CCCC[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078205 1092131524 /nfs/dbraw/zinc/13/15/24/1092131524.db2.gz OZHLLQHUFBQXHL-LJQANCHMSA-N 1 1 312.457 3.329 20 10 DGCDMO COc1cccc(CCC[N@@H+](C)Cc2cc(O)ccc2O)c1 ZINC001141161427 1092157451 /nfs/dbraw/zinc/15/74/51/1092157451.db2.gz RNRPRXMNEFOKIR-UHFFFAOYSA-N 1 1 301.386 3.171 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001142508928 1092492205 /nfs/dbraw/zinc/49/22/05/1092492205.db2.gz QEXBHUGVHVBCIC-GFCCVEGCSA-N 1 1 313.241 3.394 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001142508928 1092492211 /nfs/dbraw/zinc/49/22/11/1092492211.db2.gz QEXBHUGVHVBCIC-GFCCVEGCSA-N 1 1 313.241 3.394 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001142520030 1092495055 /nfs/dbraw/zinc/49/50/55/1092495055.db2.gz AEMSDLPKFYZRBF-AWEZNQCLSA-N 1 1 305.324 3.324 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001142520030 1092495061 /nfs/dbraw/zinc/49/50/61/1092495061.db2.gz AEMSDLPKFYZRBF-AWEZNQCLSA-N 1 1 305.324 3.324 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001142530961 1092497464 /nfs/dbraw/zinc/49/74/64/1092497464.db2.gz MTBITJQVCPPXQQ-CQSZACIVSA-N 1 1 320.339 3.109 20 10 DGCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001142530961 1092497471 /nfs/dbraw/zinc/49/74/71/1092497471.db2.gz MTBITJQVCPPXQQ-CQSZACIVSA-N 1 1 320.339 3.109 20 10 DGCDMO CC(C)(C)c1cccc(C[N@H+]2CCCC[C@](O)(CF)C2)c1O ZINC001143104080 1092614924 /nfs/dbraw/zinc/61/49/24/1092614924.db2.gz PBVLXDUHVYERBT-SFHVURJKSA-N 1 1 309.425 3.376 20 10 DGCDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143103439 1092615078 /nfs/dbraw/zinc/61/50/78/1092615078.db2.gz DIUZGDAYZVDURU-CQSZACIVSA-N 1 1 305.418 3.075 20 10 DGCDMO C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001143111881 1092616603 /nfs/dbraw/zinc/61/66/03/1092616603.db2.gz HJIWCTRVPLPZIC-LJQANCHMSA-N 1 1 302.462 3.217 20 10 DGCDMO CN1CC[C@@]2(CC[N@H+](Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001143111881 1092616613 /nfs/dbraw/zinc/61/66/13/1092616613.db2.gz HJIWCTRVPLPZIC-LJQANCHMSA-N 1 1 302.462 3.217 20 10 DGCDMO CN1CC[C@@]2(CC[N@@H+](Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001143111881 1092616617 /nfs/dbraw/zinc/61/66/17/1092616617.db2.gz HJIWCTRVPLPZIC-LJQANCHMSA-N 1 1 302.462 3.217 20 10 DGCDMO CC(C)(C)c1cccc(C[N@H+]2CCCC3(C2)OCCO3)c1O ZINC001143112866 1092617933 /nfs/dbraw/zinc/61/79/33/1092617933.db2.gz ZWSCBOXIUIGQHW-UHFFFAOYSA-N 1 1 305.418 3.029 20 10 DGCDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143116442 1092618875 /nfs/dbraw/zinc/61/88/75/1092618875.db2.gz BLKAKXUKKFTJEE-CQSZACIVSA-N 1 1 319.445 3.465 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC001209517189 1092805956 /nfs/dbraw/zinc/80/59/56/1092805956.db2.gz AEZNIUZYHCRQAS-KDURUIRLSA-N 1 1 309.457 3.088 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC001209517189 1092805959 /nfs/dbraw/zinc/80/59/59/1092805959.db2.gz AEZNIUZYHCRQAS-KDURUIRLSA-N 1 1 309.457 3.088 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC001209517189 1092805961 /nfs/dbraw/zinc/80/59/61/1092805961.db2.gz AEZNIUZYHCRQAS-KDURUIRLSA-N 1 1 309.457 3.088 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC001209517189 1092805964 /nfs/dbraw/zinc/80/59/64/1092805964.db2.gz AEZNIUZYHCRQAS-KDURUIRLSA-N 1 1 309.457 3.088 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+](C)CCC(=O)N(C)C)cc1 ZINC001209519678 1092807095 /nfs/dbraw/zinc/80/70/95/1092807095.db2.gz DQYTUSQADHODRT-UHFFFAOYSA-N 1 1 313.445 3.004 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC3(CN(C)C3)C2)cc1 ZINC001209520493 1092808124 /nfs/dbraw/zinc/80/81/24/1092808124.db2.gz ZHFRFAFKLXVVRO-UHFFFAOYSA-N 1 1 309.457 3.232 20 10 DGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+](C)CCC2OCCO2)cc1 ZINC001209520419 1092808474 /nfs/dbraw/zinc/80/84/74/1092808474.db2.gz VMJPJTJJUBFVMS-UHFFFAOYSA-N 1 1 314.429 3.289 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(N)cc2)cc1OC ZINC001120262744 1094397506 /nfs/dbraw/zinc/39/75/06/1094397506.db2.gz CDBUBFHZCSCUOF-UHFFFAOYSA-N 1 1 300.402 3.308 20 10 DGCDMO CCCC[N@H+](CC(=O)OCC)Cc1ccc(N(C)C)c(C)c1 ZINC001139673154 1095018144 /nfs/dbraw/zinc/01/81/44/1095018144.db2.gz AKHPYSULHRGABR-UHFFFAOYSA-N 1 1 306.450 3.226 20 10 DGCDMO CCCC[N@@H+](CC(=O)OCC)Cc1ccc(N(C)C)c(C)c1 ZINC001139673154 1095018160 /nfs/dbraw/zinc/01/81/60/1095018160.db2.gz AKHPYSULHRGABR-UHFFFAOYSA-N 1 1 306.450 3.226 20 10 DGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000314767418 1095065518 /nfs/dbraw/zinc/06/55/18/1095065518.db2.gz WHKOEUFBJFFAMA-FMKPAKJESA-N 1 1 300.446 3.323 20 10 DGCDMO 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DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC1(Br)CC1 ZINC001308965465 1111501649 /nfs/dbraw/zinc/50/16/49/1111501649.db2.gz PEZKORHJEWYGFI-UHFFFAOYSA-N 1 1 308.578 3.202 20 10 DGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000090533396 185301400 /nfs/dbraw/zinc/30/14/00/185301400.db2.gz NRVPRXVQTSWTIU-ZFWWWQNUSA-N 1 1 300.450 3.456 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000179483332 432060556 /nfs/dbraw/zinc/06/05/56/432060556.db2.gz OHQWYMAESXTZKN-UHFFFAOYSA-N 1 1 324.424 3.049 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179741375 432069540 /nfs/dbraw/zinc/06/95/40/432069540.db2.gz ZXEORONOVQKAMQ-AWEZNQCLSA-N 1 1 320.433 3.047 20 10 DGCDMO CCC(CC)[N@@H+](CCOC)Cc1cc(OC)c(OC)cc1O ZINC000179740961 432069649 /nfs/dbraw/zinc/06/96/49/432069649.db2.gz AJLRJMNMMNFLFP-UHFFFAOYSA-N 1 1 311.422 3.046 20 10 DGCDMO Cc1cccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c1O ZINC000179838422 432072326 /nfs/dbraw/zinc/07/23/26/432072326.db2.gz 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ZINC000273621333 130144786 /nfs/dbraw/zinc/14/47/86/130144786.db2.gz ZBZZFGVZSKJVCA-JTQLQIEISA-N 1 1 320.320 3.299 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cn(C)nc2C(F)F)cc1 ZINC000274468042 130237652 /nfs/dbraw/zinc/23/76/52/130237652.db2.gz IZOXZPMOPHXXDA-UHFFFAOYSA-N 1 1 308.376 3.056 20 10 DGCDMO CCCC[N@@H+](Cc1cc(=O)c(OC)co1)Cc1ccccc1O ZINC000282375266 130917803 /nfs/dbraw/zinc/91/78/03/130917803.db2.gz FOUQVMLTVOSAHP-UHFFFAOYSA-N 1 1 317.385 3.156 20 10 DGCDMO Oc1ccccc1C[N@@H+](CCc1cscn1)C[C@H]1CCCO1 ZINC000283892747 131031752 /nfs/dbraw/zinc/03/17/52/131031752.db2.gz JCIONJVPEHVSQR-MRXNPFEDSA-N 1 1 318.442 3.072 20 10 DGCDMO CCOc1cccc(C[NH2+][C@H](C)c2c(F)cncc2F)c1O ZINC000285477152 131172159 /nfs/dbraw/zinc/17/21/59/131172159.db2.gz LEDXQZWCJAXOEW-SNVBAGLBSA-N 1 1 308.328 3.315 20 10 DGCDMO CC[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(F)cc1O ZINC000286195719 131223763 /nfs/dbraw/zinc/22/37/63/131223763.db2.gz RAUHJRUXKGZQTN-WBVHZDCISA-N 1 1 303.377 3.176 20 10 DGCDMO CC[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000286356678 131231989 /nfs/dbraw/zinc/23/19/89/131231989.db2.gz ZMJLRWZNJAUHID-CVEARBPZSA-N 1 1 307.340 3.445 20 10 DGCDMO CC[N@@H+](Cc1ccncc1)Cc1cc(Cl)cc(OC)c1O ZINC000289143809 131361783 /nfs/dbraw/zinc/36/17/83/131361783.db2.gz ANHMANPAQWKQQN-UHFFFAOYSA-N 1 1 306.793 3.471 20 10 DGCDMO C[C@H](c1ccccc1)[N@H+](Cc1cnnn1C)Cc1ccccc1O ZINC000289372474 131379614 /nfs/dbraw/zinc/37/96/14/131379614.db2.gz OMJYGDRGFOYMBI-OAHLLOKOSA-N 1 1 322.412 3.284 20 10 DGCDMO C[C@H](c1ccccc1)[N@@H+](Cc1cnnn1C)Cc1ccccc1O ZINC000289372474 131379615 /nfs/dbraw/zinc/37/96/15/131379615.db2.gz OMJYGDRGFOYMBI-OAHLLOKOSA-N 1 1 322.412 3.284 20 10 DGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000091958845 400141888 /nfs/dbraw/zinc/14/18/88/400141888.db2.gz UMKXDXHEYUTGEC-WBVHZDCISA-N 1 1 301.386 3.382 20 10 DGCDMO CCC[N@@H+](CC(=O)NC)Cc1cc(-c2ccccc2)ccc1O ZINC000092381620 400169466 /nfs/dbraw/zinc/16/94/66/400169466.db2.gz AOOKKGAMQAWRHI-UHFFFAOYSA-N 1 1 312.413 3.017 20 10 DGCDMO Cc1cccc(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)c1O ZINC000143365635 400634561 /nfs/dbraw/zinc/63/45/61/400634561.db2.gz LPGKTAGQXCBWGM-UHFFFAOYSA-N 1 1 311.429 3.346 20 10 DGCDMO COc1c(O)c(C[N@@H+](Cc2ccco2)C(C)C)ccc1[N+](=O)[O-] ZINC000278307180 286187095 /nfs/dbraw/zinc/18/70/95/286187095.db2.gz WJOQPLWCQKREIJ-UHFFFAOYSA-N 1 1 320.345 3.313 20 10 DGCDMO COc1ccc([N@H+](C[C@@H]2CCNC(=O)CC2)[C@H](C)C2CC2)cc1 ZINC000295019498 286323529 /nfs/dbraw/zinc/32/35/29/286323529.db2.gz UPZDQRRTIMTWAU-CABCVRRESA-N 1 1 316.445 3.216 20 10 DGCDMO COc1ccc([N@@H+](C[C@@H]2CCNC(=O)CC2)[C@H](C)C2CC2)cc1 ZINC000295019498 286323530 /nfs/dbraw/zinc/32/35/30/286323530.db2.gz UPZDQRRTIMTWAU-CABCVRRESA-N 1 1 316.445 3.216 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000270050777 432228294 /nfs/dbraw/zinc/22/82/94/432228294.db2.gz MEGZOLPRRHYGGH-QGZVFWFLSA-N 1 1 302.462 3.173 20 10 DGCDMO Cc1cccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1O ZINC000179623495 228352862 /nfs/dbraw/zinc/35/28/62/228352862.db2.gz RJOSOQZTFWJVTL-INIZCTEOSA-N 1 1 322.412 3.123 20 10 DGCDMO COC1CCN(c2ccc(C[N@@H+](C)[C@@H]3CCSC3)cc2)CC1 ZINC000294879402 277194656 /nfs/dbraw/zinc/19/46/56/277194656.db2.gz FBTGUXSQZFYNEK-QGZVFWFLSA-N 1 1 320.502 3.239 20 10 DGCDMO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185670691 279761602 /nfs/dbraw/zinc/76/16/02/279761602.db2.gz ICXQCLCCOJIFPD-JSGCOSHPSA-N 1 1 314.857 3.053 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000092482592 431909844 /nfs/dbraw/zinc/90/98/44/431909844.db2.gz USMZBOHYWNLTLV-UHFFFAOYSA-N 1 1 323.849 3.214 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC2(CCCC2)C1 ZINC000093336606 431914110 /nfs/dbraw/zinc/91/41/10/431914110.db2.gz NDCRTEVBWYPUBQ-UHFFFAOYSA-N 1 1 300.446 3.289 20 10 DGCDMO COc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1O ZINC000093769001 431916832 /nfs/dbraw/zinc/91/68/32/431916832.db2.gz OPUDFSHLPALCOE-MLGOLLRUSA-N 1 1 319.426 3.424 20 10 DGCDMO COc1cccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c1O ZINC000093769002 431916851 /nfs/dbraw/zinc/91/68/51/431916851.db2.gz OPUDFSHLPALCOE-BLLLJJGKSA-N 1 1 319.426 3.424 20 10 DGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000093820008 431916863 /nfs/dbraw/zinc/91/68/63/431916863.db2.gz SYSOWDZEWNFOIG-IBGZPJMESA-N 1 1 300.446 3.289 20 10 DGCDMO CCOc1cccc(C[N@@H+](C)Cc2cccc(OC)c2)c1O ZINC000271032083 432318122 /nfs/dbraw/zinc/31/81/22/432318122.db2.gz ZKNBQRWUHBMRHX-UHFFFAOYSA-N 1 1 301.386 3.432 20 10 DGCDMO COCCOCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192734054 432407735 /nfs/dbraw/zinc/40/77/35/432407735.db2.gz PXEZDCIIVDGPCF-VIFPVBQESA-N 1 1 308.205 3.013 20 10 DGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1n1ccnc1 ZINC000271265729 432364905 /nfs/dbraw/zinc/36/49/05/432364905.db2.gz LTOQGRRFMNFXFV-KDOFPFPSSA-N 1 1 316.424 3.171 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1n1ccnc1 ZINC000271265726 432365153 /nfs/dbraw/zinc/36/51/53/432365153.db2.gz LTOQGRRFMNFXFV-KBXCAEBGSA-N 1 1 316.424 3.171 20 10 DGCDMO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000185012226 432455519 /nfs/dbraw/zinc/45/55/19/432455519.db2.gz MIDPYEBLZDDPCM-ZDUSSCGKSA-N 1 1 319.376 3.407 20 10 DGCDMO CCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000185027475 432457848 /nfs/dbraw/zinc/45/78/48/432457848.db2.gz OQCCFVITZAVAPO-GFCCVEGCSA-N 1 1 316.376 3.132 20 10 DGCDMO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000193280367 432462914 /nfs/dbraw/zinc/46/29/14/432462914.db2.gz ALSFMWDXLWIRHL-PUERIAAYSA-N 1 1 310.246 3.117 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCCN(C(C)C)C1=O ZINC000177027145 432575320 /nfs/dbraw/zinc/57/53/20/432575320.db2.gz SWEYVQHCXWGGOT-MRXNPFEDSA-N 1 1 304.434 3.004 20 10 DGCDMO CN(C)c1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1 ZINC000186427289 432594286 /nfs/dbraw/zinc/59/42/86/432594286.db2.gz XUORCLVDDZBKNH-UHFFFAOYSA-N 1 1 317.433 3.346 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCCN(c3nccs3)CC2)cc1C ZINC000195089103 432601998 /nfs/dbraw/zinc/60/19/98/432601998.db2.gz FOCRMWHZDZPJEB-UHFFFAOYSA-N 1 1 317.458 3.178 20 10 DGCDMO C[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1ccc(F)cc1O ZINC000273463327 432602651 /nfs/dbraw/zinc/60/26/51/432602651.db2.gz INHXTKDGCVANLE-DINDLPBHSA-N 1 1 307.340 3.443 20 10 DGCDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)[nH]1 ZINC000277223582 432831519 /nfs/dbraw/zinc/83/15/19/432831519.db2.gz LMUYZDXPLXFUND-QJPTWQEYSA-N 1 1 318.421 3.444 20 10 DGCDMO CCOc1cccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)c1O ZINC000268148342 432849893 /nfs/dbraw/zinc/84/98/93/432849893.db2.gz ALPFRABNLJFKNX-UHFFFAOYSA-N 1 1 321.446 3.230 20 10 DGCDMO Oc1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000289243210 432937314 /nfs/dbraw/zinc/93/73/14/432937314.db2.gz DTZSPRUOOBQYOT-QYZOEREBSA-N 1 1 309.409 3.397 20 10 DGCDMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000290004738 432982492 /nfs/dbraw/zinc/98/24/92/432982492.db2.gz DFDCPAAIKVFXLZ-WMZOPIPTSA-N 1 1 302.462 3.270 20 10 DGCDMO COc1cc(Cl)cc(C[NH2+]Cc2noc3c2CCCC3)c1O ZINC000290124102 432996782 /nfs/dbraw/zinc/99/67/82/432996782.db2.gz JCBUDTVWVMFIRG-UHFFFAOYSA-N 1 1 322.792 3.211 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)c1O ZINC000280487440 433060543 /nfs/dbraw/zinc/06/05/43/433060543.db2.gz ONCJRFICLFRQMY-BXUZGUMPSA-N 1 1 313.825 3.180 20 10 DGCDMO CSC1(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000290569236 433101920 /nfs/dbraw/zinc/10/19/20/433101920.db2.gz YGGGEPALPWTHTM-UHFFFAOYSA-N 1 1 320.502 3.241 20 10 DGCDMO C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587018 433105790 /nfs/dbraw/zinc/10/57/90/433105790.db2.gz VAXYGNJOAAFNHZ-QMTHXVAHSA-N 1 1 317.260 3.471 20 10 DGCDMO C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587018 433105800 /nfs/dbraw/zinc/10/58/00/433105800.db2.gz VAXYGNJOAAFNHZ-QMTHXVAHSA-N 1 1 317.260 3.471 20 10 DGCDMO C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587018 433105806 /nfs/dbraw/zinc/10/58/06/433105806.db2.gz VAXYGNJOAAFNHZ-QMTHXVAHSA-N 1 1 317.260 3.471 20 10 DGCDMO C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290587018 433105811 /nfs/dbraw/zinc/10/58/11/433105811.db2.gz VAXYGNJOAAFNHZ-QMTHXVAHSA-N 1 1 317.260 3.471 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1C ZINC000291185426 433228695 /nfs/dbraw/zinc/22/86/95/433228695.db2.gz FZTFUMBZENSKMN-FQEVSTJZSA-N 1 1 311.425 3.145 20 10 DGCDMO c1cnn([C@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)c1 ZINC000291365112 433234445 /nfs/dbraw/zinc/23/44/45/433234445.db2.gz YTRBKZALIAPNHB-IBGZPJMESA-N 1 1 310.445 3.320 20 10 DGCDMO Cc1cccc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1O ZINC000281133943 433264423 /nfs/dbraw/zinc/26/44/23/433264423.db2.gz NSALAJOHZOBCNA-QGZVFWFLSA-N 1 1 324.424 3.186 20 10 DGCDMO COc1cc(O)c(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)cc1OC ZINC000291561466 433270934 /nfs/dbraw/zinc/27/09/34/433270934.db2.gz NDMCKEGKBOXPKE-QGZVFWFLSA-N 1 1 303.402 3.174 20 10 DGCDMO CCOCc1cc(C[NH2+]Cc2oc(CC)nc2C)ccc1OC ZINC000291754271 433337892 /nfs/dbraw/zinc/33/78/92/433337892.db2.gz LZAKSZPEEBQAFT-UHFFFAOYSA-N 1 1 318.417 3.380 20 10 DGCDMO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Cl)c(Cl)cc1O ZINC000282464059 433610601 /nfs/dbraw/zinc/61/06/01/433610601.db2.gz VTNMDWSXHBWEAS-RLBGWGEZSA-N 1 1 322.257 3.261 20 10 DGCDMO CCCC[N@@H+](CC(=O)Nc1nccs1)Cc1ccccc1O ZINC000282560603 433618036 /nfs/dbraw/zinc/61/80/36/433618036.db2.gz YHLQYZYBKHWWJI-UHFFFAOYSA-N 1 1 319.430 3.090 20 10 DGCDMO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000293678567 433824592 /nfs/dbraw/zinc/82/45/92/433824592.db2.gz KDNMVFHGVVAMKB-WFASDCNBSA-N 1 1 310.413 3.124 20 10 DGCDMO CCOc1cccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1O ZINC000377834123 434013620 /nfs/dbraw/zinc/01/36/20/434013620.db2.gz JEKZWTZMFQFTOX-HZPDHXFCSA-N 1 1 319.445 3.430 20 10 DGCDMO Cc1cnccc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000294502053 434117234 /nfs/dbraw/zinc/11/72/34/434117234.db2.gz BJYPJLQFGAHROJ-SFHVURJKSA-N 1 1 312.413 3.277 20 10 DGCDMO C[NH+](C)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294754312 434132860 /nfs/dbraw/zinc/13/28/60/434132860.db2.gz RPSANJLLEVVYJZ-LBPRGKRZSA-N 1 1 300.805 3.101 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)cc1C ZINC000294895344 434148974 /nfs/dbraw/zinc/14/89/74/434148974.db2.gz WUIQMTUPRCUXSF-UHFFFAOYSA-N 1 1 324.424 3.273 20 10 DGCDMO CO[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1(C)C ZINC000294934991 434154511 /nfs/dbraw/zinc/15/45/11/434154511.db2.gz GOJVUGFZHQEOIW-AWEZNQCLSA-N 1 1 301.789 3.432 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1(C)C ZINC000294934991 434154515 /nfs/dbraw/zinc/15/45/15/434154515.db2.gz GOJVUGFZHQEOIW-AWEZNQCLSA-N 1 1 301.789 3.432 20 10 DGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H](CO)c1ccccc1 ZINC000295039714 434163582 /nfs/dbraw/zinc/16/35/82/434163582.db2.gz MMJJHQAVQWOFRR-OAHLLOKOSA-N 1 1 309.768 3.350 20 10 DGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H](CO)c1ccccc1 ZINC000295039714 434163591 /nfs/dbraw/zinc/16/35/91/434163591.db2.gz MMJJHQAVQWOFRR-OAHLLOKOSA-N 1 1 309.768 3.350 20 10 DGCDMO [O-]c1c(F)cccc1CN1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000378493736 434201018 /nfs/dbraw/zinc/20/10/18/434201018.db2.gz KCDCFJGGFIEWAD-MRXNPFEDSA-N 1 1 323.314 3.383 20 10 DGCDMO CCC1(CO)CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000295328418 434314936 /nfs/dbraw/zinc/31/49/36/434314936.db2.gz LTBGJDXYPVQCSB-UHFFFAOYSA-N 1 1 301.789 3.169 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1ccc(F)cc1O ZINC000367599894 434553599 /nfs/dbraw/zinc/55/35/99/434553599.db2.gz ILCJFBRUNRWKKN-ZBFHGGJFSA-N 1 1 315.392 3.228 20 10 DGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000368127885 434566936 /nfs/dbraw/zinc/56/69/36/434566936.db2.gz XYZSYQQNFBPZOF-ZDUSSCGKSA-N 1 1 312.200 3.343 20 10 DGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000370675775 434618861 /nfs/dbraw/zinc/61/88/61/434618861.db2.gz FBZQVDYKSJHZAK-WDYCEAGBSA-N 1 1 301.478 3.420 20 10 DGCDMO CCN(C)c1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000370675775 434618869 /nfs/dbraw/zinc/61/88/69/434618869.db2.gz FBZQVDYKSJHZAK-WDYCEAGBSA-N 1 1 301.478 3.420 20 10 DGCDMO CCN(C)c1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000370675775 434618874 /nfs/dbraw/zinc/61/88/74/434618874.db2.gz FBZQVDYKSJHZAK-WDYCEAGBSA-N 1 1 301.478 3.420 20 10 DGCDMO O[C@]1(C2CC2)CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000369682064 434598986 /nfs/dbraw/zinc/59/89/86/434598986.db2.gz BVGNQGLGCOIALQ-LJQANCHMSA-N 1 1 300.446 3.024 20 10 DGCDMO C[C@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1O)c1cccs1 ZINC000293547774 335108855 /nfs/dbraw/zinc/10/88/55/335108855.db2.gz GSPBSOWXAZFXEK-AWEZNQCLSA-N 1 1 315.797 3.244 20 10 DGCDMO C[C@H]([NH2+]Cc1ccccc1O)c1nc(-c2cccc(F)c2)no1 ZINC000174668184 533934971 /nfs/dbraw/zinc/93/49/71/533934971.db2.gz RGQIFYAQXUTOIE-NSHDSACASA-N 1 1 313.332 3.432 20 10 DGCDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000179938296 521050901 /nfs/dbraw/zinc/05/09/01/521050901.db2.gz MZJLKAXHTZRSFD-DOTOQJQBSA-N 1 1 318.461 3.217 20 10 DGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC1CCCC1 ZINC000266536840 521690600 /nfs/dbraw/zinc/69/06/00/521690600.db2.gz HKUZWHPGDAGXKI-AWEZNQCLSA-N 1 1 304.434 3.052 20 10 DGCDMO C[N@H+](Cc1ccccc1O)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160540445 523384931 /nfs/dbraw/zinc/38/49/31/523384931.db2.gz BBRUIHGTADVWPQ-UHFFFAOYSA-N 1 1 318.461 3.109 20 10 DGCDMO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000174479269 524032235 /nfs/dbraw/zinc/03/22/35/524032235.db2.gz SUJXVYSHKLPBIK-QGZVFWFLSA-N 1 1 302.418 3.385 20 10 DGCDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cccc(OC)c1O ZINC000156041155 524508393 /nfs/dbraw/zinc/50/83/93/524508393.db2.gz LWHWVBQDHMIGEF-AWEZNQCLSA-N 1 1 315.413 3.472 20 10 DGCDMO COc1ccc(O)c(C[N@@H+]2C[C@H](C)OC[C@H]2c2ccccc2)c1 ZINC000180443473 524750462 /nfs/dbraw/zinc/75/04/62/524750462.db2.gz PVBMZKRVASENFX-KSSFIOAISA-N 1 1 313.397 3.363 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)OC[C@H]2c2ccccc2)c1 ZINC000180443473 524750466 /nfs/dbraw/zinc/75/04/66/524750466.db2.gz PVBMZKRVASENFX-KSSFIOAISA-N 1 1 313.397 3.363 20 10 DGCDMO CC[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(F)cc1O ZINC000285890109 535907761 /nfs/dbraw/zinc/90/77/61/535907761.db2.gz CFGZYUGQXSJKTC-DOTOQJQBSA-N 1 1 307.340 3.445 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000280130540 546379507 /nfs/dbraw/zinc/37/95/07/546379507.db2.gz DJCLYZXQZCRORX-GFCCVEGCSA-N 1 1 316.367 3.240 20 10 DGCDMO COC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1ccc(C)o1 ZINC000294729583 546424024 /nfs/dbraw/zinc/42/40/24/546424024.db2.gz WDZUVFZWHBOPKH-INIZCTEOSA-N 1 1 302.418 3.440 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000730807120 574536482 /nfs/dbraw/zinc/53/64/82/574536482.db2.gz NJLQLOSPNIQXIK-MRXNPFEDSA-N 1 1 311.429 3.001 20 10 DGCDMO Oc1ccc2ccncc2c1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730807120 574536484 /nfs/dbraw/zinc/53/64/84/574536484.db2.gz NJLQLOSPNIQXIK-MRXNPFEDSA-N 1 1 311.429 3.001 20 10 DGCDMO CCCCN(CCCC)C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000731843134 574560049 /nfs/dbraw/zinc/56/00/49/574560049.db2.gz ZGYVFCUKKWWHFH-UHFFFAOYSA-N 1 1 306.450 3.253 20 10 DGCDMO C[N@@H+](CC(=O)NCCCC1CCCCC1)Cc1ccccc1O ZINC000732203039 574567835 /nfs/dbraw/zinc/56/78/35/574567835.db2.gz METVILTUERYBHG-UHFFFAOYSA-N 1 1 318.461 3.301 20 10 DGCDMO COC(=O)CCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000734844155 574678690 /nfs/dbraw/zinc/67/86/90/574678690.db2.gz WPHLDUASNGDTET-UHFFFAOYSA-N 1 1 304.434 3.062 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000738103938 574859240 /nfs/dbraw/zinc/85/92/40/574859240.db2.gz HVOCOXQWBCMIJY-MRXNPFEDSA-N 1 1 311.429 3.001 20 10 DGCDMO Oc1ccc2ccncc2c1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000738103938 574859242 /nfs/dbraw/zinc/85/92/42/574859242.db2.gz HVOCOXQWBCMIJY-MRXNPFEDSA-N 1 1 311.429 3.001 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCOC[C@@H]2CCCO2)cc1 ZINC000741244835 574954223 /nfs/dbraw/zinc/95/42/23/574954223.db2.gz KKWQTFBZFZPRJR-IBGZPJMESA-N 1 1 320.477 3.160 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)cc1 ZINC000741754243 574968738 /nfs/dbraw/zinc/96/87/38/574968738.db2.gz MBTDFJJQZYYJCJ-MRXNPFEDSA-N 1 1 314.433 3.214 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1)OCO2 ZINC000743388442 575048508 /nfs/dbraw/zinc/04/85/08/575048508.db2.gz DNQCMDVEZWKENY-CQSZACIVSA-N 1 1 301.317 3.207 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H]1c1cccc(F)c1)OCO2 ZINC000743388442 575048510 /nfs/dbraw/zinc/04/85/10/575048510.db2.gz DNQCMDVEZWKENY-CQSZACIVSA-N 1 1 301.317 3.207 20 10 DGCDMO COC(=O)/C(C)=C/C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000748818729 575609514 /nfs/dbraw/zinc/60/95/14/575609514.db2.gz XNZGUUOPXBSLIK-NTEUORMPSA-N 1 1 315.369 3.107 20 10 DGCDMO COC(=O)/C(C)=C/C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000748818729 575609515 /nfs/dbraw/zinc/60/95/15/575609515.db2.gz XNZGUUOPXBSLIK-NTEUORMPSA-N 1 1 315.369 3.107 20 10 DGCDMO 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COc1ccc(C[N@H+]2CCSC[C@@H]2C2CCC2)c(O)c1OC ZINC000894961527 618502741 /nfs/dbraw/zinc/50/27/41/618502741.db2.gz OEDHXCPEGCJBMQ-CQSZACIVSA-N 1 1 323.458 3.127 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1O ZINC000894993313 618507264 /nfs/dbraw/zinc/50/72/64/618507264.db2.gz JCBQXVKQFMAFCO-IAGOWNOFSA-N 1 1 313.397 3.017 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCc3nc[nH]c3C23CCC3)cc1 ZINC000895069131 618526377 /nfs/dbraw/zinc/52/63/77/618526377.db2.gz RDRCMWDNCKFCQW-HWKANZROSA-N 1 1 322.456 3.426 20 10 DGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCc3nc[nH]c3C23CCC3)cc1 ZINC000895069131 618526382 /nfs/dbraw/zinc/52/63/82/618526382.db2.gz RDRCMWDNCKFCQW-HWKANZROSA-N 1 1 322.456 3.426 20 10 DGCDMO COc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)c(O)c1OC ZINC000893427705 618555168 /nfs/dbraw/zinc/55/51/68/618555168.db2.gz MPJUZYDJOLIMLB-UHFFFAOYSA-N 1 1 317.360 3.107 20 10 DGCDMO COCC[N@@H+](Cc1cccs1)Cc1cc(C)cc(OC)c1O ZINC000893910661 618674822 /nfs/dbraw/zinc/67/48/22/618674822.db2.gz HRVKAJJBNGPUOX-UHFFFAOYSA-N 1 1 321.442 3.419 20 10 DGCDMO Cc1ccnc(N)c1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000893928721 618677752 /nfs/dbraw/zinc/67/77/52/618677752.db2.gz FNJLJJHJMAMGQN-UHFFFAOYSA-N 1 1 310.445 3.203 20 10 DGCDMO OCC[N@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCc2ccccc21 ZINC000894026142 618696411 /nfs/dbraw/zinc/69/64/11/618696411.db2.gz KZQUAPGERNEGKH-QGZVFWFLSA-N 1 1 319.351 3.152 20 10 DGCDMO OCC[N@@H+](Cc1cc(F)cc(F)c1O)[C@@H]1CCc2ccccc21 ZINC000894026142 618696413 /nfs/dbraw/zinc/69/64/13/618696413.db2.gz KZQUAPGERNEGKH-QGZVFWFLSA-N 1 1 319.351 3.152 20 10 DGCDMO CC(C)([NH2+]Cc1cc(F)cc(F)c1O)[C@H](O)c1ccccc1 ZINC000895662992 618814374 /nfs/dbraw/zinc/81/43/74/618814374.db2.gz UVFFOEJVONYRJG-MRXNPFEDSA-N 1 1 307.340 3.272 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1O ZINC000895843816 618838456 /nfs/dbraw/zinc/83/84/56/618838456.db2.gz CRULTQHQPLETIY-SMDDNHRTSA-N 1 1 311.809 3.055 20 10 DGCDMO COc1cc(C)cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c1O ZINC000896424025 618911641 /nfs/dbraw/zinc/91/16/41/618911641.db2.gz MQNWQWHLBVMFBD-PBHICJAKSA-N 1 1 317.360 3.271 20 10 DGCDMO Cn1ccc([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000896492781 618919131 /nfs/dbraw/zinc/91/91/31/618919131.db2.gz VOGSFVHEZKJCAA-LBPRGKRZSA-N 1 1 305.809 3.159 20 10 DGCDMO COc1ccc(C[C@@H](C)[NH2+]Cc2c(O)cccc2F)cc1OC ZINC000896638569 618939711 /nfs/dbraw/zinc/93/97/11/618939711.db2.gz VTWRPAMIGRBBTA-GFCCVEGCSA-N 1 1 319.376 3.269 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cccc2c1OCC2 ZINC000897206976 619028884 /nfs/dbraw/zinc/02/88/84/619028884.db2.gz UGGZSUYFAWRDDI-UHFFFAOYSA-N 1 1 307.752 3.409 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c(O)c1 ZINC000897268149 619039377 /nfs/dbraw/zinc/03/93/77/619039377.db2.gz UUDUQVLDBUBWGO-INIZCTEOSA-N 1 1 319.445 3.430 20 10 DGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC=CCC1 ZINC000121296265 619039456 /nfs/dbraw/zinc/03/94/56/619039456.db2.gz RYAIEXLTJCLOQH-QGZVFWFLSA-N 1 1 300.446 3.311 20 10 DGCDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000897299163 619048696 /nfs/dbraw/zinc/04/86/96/619048696.db2.gz WCALSOAOHDQTDQ-LBPRGKRZSA-N 1 1 306.406 3.361 20 10 DGCDMO Cc1csc(C[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3O)C2)n1 ZINC000897301853 619049224 /nfs/dbraw/zinc/04/92/24/619049224.db2.gz WBCNDCPDPQEVEE-LLVKDONJSA-N 1 1 324.396 3.500 20 10 DGCDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C2)n1 ZINC000897301853 619049226 /nfs/dbraw/zinc/04/92/26/619049226.db2.gz WBCNDCPDPQEVEE-LLVKDONJSA-N 1 1 324.396 3.500 20 10 DGCDMO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(Cl)cc1O ZINC000841754144 619157704 /nfs/dbraw/zinc/15/77/04/619157704.db2.gz ZWQZDNSZCBLQAH-JTQLQIEISA-N 1 1 308.813 3.243 20 10 DGCDMO C[C@H]([NH2+]Cc1cccc(Br)c1O)c1cncs1 ZINC000897933992 619194625 /nfs/dbraw/zinc/19/46/25/619194625.db2.gz CKDKZWLSWISQAB-QMMMGPOBSA-N 1 1 313.220 3.462 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1c(O)cccc1F ZINC000927002618 619256084 /nfs/dbraw/zinc/25/60/84/619256084.db2.gz WJWRTZXLQJEWAB-VXGBXAGGSA-N 1 1 324.396 3.191 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C2OCCO2)cc1C(C)C ZINC000902623169 619659192 /nfs/dbraw/zinc/65/91/92/619659192.db2.gz VEOBVPXRHDTXOA-MRXNPFEDSA-N 1 1 305.418 3.161 20 10 DGCDMO CCCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)nn1 ZINC000902742424 619668875 /nfs/dbraw/zinc/66/88/75/619668875.db2.gz PSMRSRCEOTUPFM-OAHLLOKOSA-N 1 1 313.449 3.139 20 10 DGCDMO CCCn1cc([C@@H](C)[NH2+]Cc2ccc(N(CC)CC)cc2)nn1 ZINC000902755838 619671215 /nfs/dbraw/zinc/67/12/15/619671215.db2.gz UJENPJYJLUZTAY-OAHLLOKOSA-N 1 1 315.465 3.385 20 10 DGCDMO C[C@@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1ccc(F)cc1O ZINC000903269612 619749614 /nfs/dbraw/zinc/74/96/14/619749614.db2.gz BXJLVHYBDITDCV-VVFCZOMOSA-N 1 1 315.388 3.275 20 10 DGCDMO C[C@H]([NH2+]Cc1cn(C)cn1)c1cc(Cl)c(Cl)cc1O ZINC000903352958 619763656 /nfs/dbraw/zinc/76/36/56/619763656.db2.gz XLIJARRVXWFIHY-QMMMGPOBSA-N 1 1 300.189 3.283 20 10 DGCDMO C[C@@H]([NH2+]Cc1cn(C)cn1)c1cc(Cl)c(Cl)cc1O ZINC000903352957 619763701 /nfs/dbraw/zinc/76/37/01/619763701.db2.gz XLIJARRVXWFIHY-MRVPVSSYSA-N 1 1 300.189 3.283 20 10 DGCDMO CCN(CC)c1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000841100818 620450818 /nfs/dbraw/zinc/45/08/18/620450818.db2.gz KXAPIIJVYUAAKJ-HOCLYGCPSA-N 1 1 307.457 3.089 20 10 DGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)cc1C ZINC000915824968 620600023 /nfs/dbraw/zinc/60/00/23/620600023.db2.gz MNMPLHGFIMFAQD-MRXNPFEDSA-N 1 1 313.397 3.281 20 10 DGCDMO c1cc2c(cc1CNC[C@H]1CCC[N@H+](CC3CC3)C1)CCCO2 ZINC000922268368 621015372 /nfs/dbraw/zinc/01/53/72/621015372.db2.gz FCNKFSIOFDZRMF-GOSISDBHSA-N 1 1 314.473 3.223 20 10 DGCDMO c1cc2c(cc1CNC[C@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000922268368 621015376 /nfs/dbraw/zinc/01/53/76/621015376.db2.gz FCNKFSIOFDZRMF-GOSISDBHSA-N 1 1 314.473 3.223 20 10 DGCDMO COc1nc(C)cc(C)c1C[N@H+](C)Cc1cc(F)ccc1O ZINC000857068582 621054170 /nfs/dbraw/zinc/05/41/70/621054170.db2.gz BFVQAJBFKHVSAN-UHFFFAOYSA-N 1 1 304.365 3.184 20 10 DGCDMO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1cc(F)ccc1O ZINC000857068582 621054175 /nfs/dbraw/zinc/05/41/75/621054175.db2.gz BFVQAJBFKHVSAN-UHFFFAOYSA-N 1 1 304.365 3.184 20 10 DGCDMO Oc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013758 621145257 /nfs/dbraw/zinc/14/52/57/621145257.db2.gz FJSZZFWYDUDSDW-QGZVFWFLSA-N 1 1 310.397 3.318 20 10 DGCDMO CN1CCCc2cc(CN[C@@H]3CC[N@H+](C)C(C)(C)C3)ccc21 ZINC000858116010 621154315 /nfs/dbraw/zinc/15/43/15/621154315.db2.gz HYLPOEDJLYBVCO-QGZVFWFLSA-N 1 1 301.478 3.031 20 10 DGCDMO CN1CCCc2cc(CN[C@@H]3CC[N@@H+](C)C(C)(C)C3)ccc21 ZINC000858116010 621154318 /nfs/dbraw/zinc/15/43/18/621154318.db2.gz HYLPOEDJLYBVCO-QGZVFWFLSA-N 1 1 301.478 3.031 20 10 DGCDMO CN1CCCc2cc(C[NH2+][C@@H]3CCN(C)C(C)(C)C3)ccc21 ZINC000858116010 621154321 /nfs/dbraw/zinc/15/43/21/621154321.db2.gz HYLPOEDJLYBVCO-QGZVFWFLSA-N 1 1 301.478 3.031 20 10 DGCDMO COc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1O ZINC000858120820 621154993 /nfs/dbraw/zinc/15/49/93/621154993.db2.gz NETPVPJUOMJXOK-UHFFFAOYSA-N 1 1 322.355 3.035 20 10 DGCDMO COc1cnccc1[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858159156 621160315 /nfs/dbraw/zinc/16/03/15/621160315.db2.gz XJDXNFRAPDVEAS-LLVKDONJSA-N 1 1 321.371 3.285 20 10 DGCDMO CN(C)c1cc(F)c(C[NH2+][C@@H]2COCc3ccccc32)cc1F ZINC000858179585 621162071 /nfs/dbraw/zinc/16/20/71/621162071.db2.gz OYPXPPMYXLHTJF-QGZVFWFLSA-N 1 1 318.367 3.392 20 10 DGCDMO CN(C)c1cc(F)c(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cc1F ZINC000858190006 621163448 /nfs/dbraw/zinc/16/34/48/621163448.db2.gz XWWXVPBSJRNJDQ-SJLPKXTDSA-N 1 1 318.367 3.299 20 10 DGCDMO CC(C)CC[C@H](CO)[NH2+]Cc1cccc(Br)c1O ZINC000858241285 621167263 /nfs/dbraw/zinc/16/72/63/621167263.db2.gz NZNJAHVLIQQNAU-GFCCVEGCSA-N 1 1 316.239 3.041 20 10 DGCDMO CCOCc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc1OC ZINC000858245689 621167620 /nfs/dbraw/zinc/16/76/20/621167620.db2.gz WADLSFKJHSNTQD-KRWDZBQOSA-N 1 1 320.477 3.053 20 10 DGCDMO CCOCc1cc(CNC[C@@H]2CCCC[N@H+](C)C2)ccc1OC ZINC000858245689 621167623 /nfs/dbraw/zinc/16/76/23/621167623.db2.gz WADLSFKJHSNTQD-KRWDZBQOSA-N 1 1 320.477 3.053 20 10 DGCDMO CCOCc1cc(CNC[C@@H]2CCCC[N@@H+](C)C2)ccc1OC ZINC000858245689 621167626 /nfs/dbraw/zinc/16/76/26/621167626.db2.gz WADLSFKJHSNTQD-KRWDZBQOSA-N 1 1 320.477 3.053 20 10 DGCDMO C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000858245102 621167866 /nfs/dbraw/zinc/16/78/66/621167866.db2.gz NDDVRXQVJQQRBP-IBGZPJMESA-N 1 1 315.505 3.498 20 10 DGCDMO C[N@@H+]1CCCC[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000858245102 621167868 /nfs/dbraw/zinc/16/78/68/621167868.db2.gz NDDVRXQVJQQRBP-IBGZPJMESA-N 1 1 315.505 3.498 20 10 DGCDMO C[N@H+]1CCCC[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1 ZINC000858245102 621167871 /nfs/dbraw/zinc/16/78/71/621167871.db2.gz NDDVRXQVJQQRBP-IBGZPJMESA-N 1 1 315.505 3.498 20 10 DGCDMO Cc1cc(C[NH2+]Cc2cnccn2)c(C)n1-c1cccc(C)c1 ZINC000858292839 621172372 /nfs/dbraw/zinc/17/23/72/621172372.db2.gz GHNSDUYIQGUVDC-UHFFFAOYSA-N 1 1 306.413 3.482 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(F)cc1O ZINC000858449461 621192410 /nfs/dbraw/zinc/19/24/10/621192410.db2.gz MAJBGEIVWIKEMN-RNCFNFMXSA-N 1 1 317.286 3.182 20 10 DGCDMO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2O)C1 ZINC000858505873 621199766 /nfs/dbraw/zinc/19/97/66/621199766.db2.gz BPMVFRQYMVBVLR-ZFWWWQNUSA-N 1 1 307.365 3.224 20 10 DGCDMO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000858508360 621200308 /nfs/dbraw/zinc/20/03/08/621200308.db2.gz MYYYXYHXWLLBBS-MFKMUULPSA-N 1 1 309.793 3.348 20 10 DGCDMO COC(=O)CCCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000859189622 621258952 /nfs/dbraw/zinc/25/89/52/621258952.db2.gz AGJBYRRATSYKQN-UHFFFAOYSA-N 1 1 317.385 3.331 20 10 DGCDMO C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000839183274 621344764 /nfs/dbraw/zinc/34/47/64/621344764.db2.gz VSHJUWCNJOMSPY-LLVKDONJSA-N 1 1 300.805 3.006 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000839190795 621347016 /nfs/dbraw/zinc/34/70/16/621347016.db2.gz BZJXYVXYHDFAPH-RBUKOAKNSA-N 1 1 302.462 3.126 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c(C(F)(F)F)c1 ZINC000839191647 621347100 /nfs/dbraw/zinc/34/71/00/621347100.db2.gz IWHUEBQWQQBNOM-STQMWFEESA-N 1 1 316.392 3.461 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c(C(F)(F)F)c1 ZINC000839191647 621347104 /nfs/dbraw/zinc/34/71/04/621347104.db2.gz IWHUEBQWQQBNOM-STQMWFEESA-N 1 1 316.392 3.461 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000753545586 621447577 /nfs/dbraw/zinc/44/75/77/621447577.db2.gz FXFQGZVVHGMING-SFHVURJKSA-N 1 1 313.397 3.192 20 10 DGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC(C)(C)C1 ZINC000753576840 621450413 /nfs/dbraw/zinc/45/04/13/621450413.db2.gz UZDHHDYIFWZXAY-MRXNPFEDSA-N 1 1 302.462 3.391 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2CN2CCCCC2)c1O ZINC000754731432 621528928 /nfs/dbraw/zinc/52/89/28/621528928.db2.gz BTVRALNRFQSFFI-KRWDZBQOSA-N 1 1 318.461 3.160 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2CN2CCCCC2)c1O ZINC000754731432 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CN(C)c1cc(F)c(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1F ZINC000862403358 621585751 /nfs/dbraw/zinc/58/57/51/621585751.db2.gz YVRDUMFNJSPECX-AWEZNQCLSA-N 1 1 302.315 3.262 20 10 DGCDMO C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000862483862 621594321 /nfs/dbraw/zinc/59/43/21/621594321.db2.gz ZQRIMQVMVWJUNF-NSHDSACASA-N 1 1 300.805 3.006 20 10 DGCDMO OC[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000862529722 621597272 /nfs/dbraw/zinc/59/72/72/621597272.db2.gz YDSIGHLZIDHBFY-AZUAARDMSA-N 1 1 314.473 3.271 20 10 DGCDMO CCC(O)(CC)C[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862538682 621598298 /nfs/dbraw/zinc/59/82/98/621598298.db2.gz CNCWCDIRAGBPGQ-UHFFFAOYSA-N 1 1 300.393 3.014 20 10 DGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000862540159 621598562 /nfs/dbraw/zinc/59/85/62/621598562.db2.gz AJGLTOOMMQVNDM-OAHLLOKOSA-N 1 1 313.397 3.486 20 10 DGCDMO C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cc(F)cc(F)c1O ZINC000756351120 621630041 /nfs/dbraw/zinc/63/00/41/621630041.db2.gz IXGQVMKBMJNTDE-IINYFYTJSA-N 1 1 310.344 3.217 20 10 DGCDMO COc1ccc(OCC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756357110 621630730 /nfs/dbraw/zinc/63/07/30/621630730.db2.gz BRMZLEMCFXPZGX-NSHDSACASA-N 1 1 323.339 3.409 20 10 DGCDMO COc1ccc(O)c([C@@H](C)NCC[N@H+](C)C2CCCCC2)c1 ZINC000756459251 621639620 /nfs/dbraw/zinc/63/96/20/621639620.db2.gz ZAKMUPYQNZFXSL-CQSZACIVSA-N 1 1 306.450 3.316 20 10 DGCDMO COc1ccc(O)c([C@@H](C)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000756459251 621639623 /nfs/dbraw/zinc/63/96/23/621639623.db2.gz ZAKMUPYQNZFXSL-CQSZACIVSA-N 1 1 306.450 3.316 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(F)cc1O ZINC000756459573 621640141 /nfs/dbraw/zinc/64/01/41/621640141.db2.gz PKWZZVYINZHPNY-UKRRQHHQSA-N 1 1 303.377 3.033 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCOC2CCCCC2)c1 ZINC000756491594 621641517 /nfs/dbraw/zinc/64/15/17/621641517.db2.gz WIKJQEIASAMBLT-CYBMUJFWSA-N 1 1 321.417 3.179 20 10 DGCDMO Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756534207 621645988 /nfs/dbraw/zinc/64/59/88/621645988.db2.gz LFNQTEYWQHQTOV-GHMZBOCLSA-N 1 1 309.360 3.162 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(C2CC2)C2CC2)c1 ZINC000756614799 621652896 /nfs/dbraw/zinc/65/28/96/621652896.db2.gz ATNZIRIFPLGUNR-NSHDSACASA-N 1 1 303.402 3.266 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1cc(F)cc(F)c1O ZINC000756640159 621655188 /nfs/dbraw/zinc/65/51/88/621655188.db2.gz KEDTYSXKICRMOF-WCBMZHEXSA-N 1 1 305.415 3.170 20 10 DGCDMO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc(F)cc(F)c1O ZINC000756711861 621659627 /nfs/dbraw/zinc/65/96/27/621659627.db2.gz MUBOJBPTUODVBV-PSLIRLAXSA-N 1 1 311.303 3.194 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000863306704 621662029 /nfs/dbraw/zinc/66/20/29/621662029.db2.gz OOKSZENHUFBQQY-GOEBONIOSA-N 1 1 305.418 3.149 20 10 DGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000863306704 621662031 /nfs/dbraw/zinc/66/20/31/621662031.db2.gz OOKSZENHUFBQQY-GOEBONIOSA-N 1 1 305.418 3.149 20 10 DGCDMO C[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccc(F)cc1O ZINC000756763267 621662738 /nfs/dbraw/zinc/66/27/38/621662738.db2.gz WIPUAERFZWJMEE-TZMCWYRMSA-N 1 1 317.360 3.412 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Cl)o2)c1 ZINC000756791928 621664882 /nfs/dbraw/zinc/66/48/82/621664882.db2.gz YVMVGXLBRWPHQZ-VIFPVBQESA-N 1 1 309.749 3.276 20 10 DGCDMO COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000757658159 621731736 /nfs/dbraw/zinc/73/17/36/621731736.db2.gz WQDBAWLFGGJICN-GXTWGEPZSA-N 1 1 307.365 3.423 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)Cc2ccncc2)c1 ZINC000757887731 621745143 /nfs/dbraw/zinc/74/51/43/621745143.db2.gz JIZQKVWVDCUUKJ-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)Cc2ccncc2)c1 ZINC000757887731 621745147 /nfs/dbraw/zinc/74/51/47/621745147.db2.gz JIZQKVWVDCUUKJ-UHFFFAOYSA-N 1 1 321.218 3.490 20 10 DGCDMO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000757892323 621745297 /nfs/dbraw/zinc/74/52/97/621745297.db2.gz RPGJZQQFAGZEAJ-QGZVFWFLSA-N 1 1 324.472 3.026 20 10 DGCDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000757892323 621745300 /nfs/dbraw/zinc/74/53/00/621745300.db2.gz RPGJZQQFAGZEAJ-QGZVFWFLSA-N 1 1 324.472 3.026 20 10 DGCDMO C[N@@H+](Cc1ccsc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000120471475 621884569 /nfs/dbraw/zinc/88/45/69/621884569.db2.gz OLDDDTUSLDNOKA-UHFFFAOYSA-N 1 1 320.433 3.356 20 10 DGCDMO Brc1ncccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000865441618 621922052 /nfs/dbraw/zinc/92/20/52/621922052.db2.gz WMFILKSCCRNBME-UHFFFAOYSA-N 1 1 319.202 3.069 20 10 DGCDMO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cc(F)ccc1O ZINC000789588322 625531377 /nfs/dbraw/zinc/53/13/77/625531377.db2.gz BHMSGBAPLDPBKD-CYBMUJFWSA-N 1 1 318.367 3.381 20 10 DGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[C@H]2CCCCO2)c1 ZINC000760905147 621973467 /nfs/dbraw/zinc/97/34/67/621973467.db2.gz JLDBPUYBUZAUDC-DZGCQCFKSA-N 1 1 321.417 3.179 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000865761849 621990748 /nfs/dbraw/zinc/99/07/48/621990748.db2.gz IMXQTYILNRNIRN-MEDUHNTESA-N 1 1 313.800 3.480 20 10 DGCDMO C[C@@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1ccc(F)cc1O ZINC000866563007 622138946 /nfs/dbraw/zinc/13/89/46/622138946.db2.gz IMNVLWLHCNVZJX-SJKOYZFVSA-N 1 1 300.377 3.369 20 10 DGCDMO Cc1cc(Cl)cc(C[N@@H+](C)CCCNC(=O)C2CCC2)c1O ZINC000763628283 622155861 /nfs/dbraw/zinc/15/58/61/622155861.db2.gz VMVUZGPYQRHKHU-UHFFFAOYSA-N 1 1 324.852 3.092 20 10 DGCDMO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000763646144 622156721 /nfs/dbraw/zinc/15/67/21/622156721.db2.gz JDQUYBFLKUTLNT-KRWDZBQOSA-N 1 1 313.489 3.203 20 10 DGCDMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000763646144 622156723 /nfs/dbraw/zinc/15/67/23/622156723.db2.gz JDQUYBFLKUTLNT-KRWDZBQOSA-N 1 1 313.489 3.203 20 10 DGCDMO C[C@@H](NCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764949799 622234971 /nfs/dbraw/zinc/23/49/71/622234971.db2.gz NCRPNDZVCFRONX-IXDOHACOSA-N 1 1 303.494 3.381 20 10 DGCDMO C[C@@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764949799 622234973 /nfs/dbraw/zinc/23/49/73/622234973.db2.gz NCRPNDZVCFRONX-IXDOHACOSA-N 1 1 303.494 3.381 20 10 DGCDMO CCN(C)c1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000764966001 622236797 /nfs/dbraw/zinc/23/67/97/622236797.db2.gz WXRFIIRMTLKWMR-IPELMVKDSA-N 1 1 301.478 3.420 20 10 DGCDMO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000764966001 622236800 /nfs/dbraw/zinc/23/68/00/622236800.db2.gz WXRFIIRMTLKWMR-IPELMVKDSA-N 1 1 301.478 3.420 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1O ZINC000766116891 622307343 /nfs/dbraw/zinc/30/73/43/622307343.db2.gz JAXFMSZDIXBPDO-LLVKDONJSA-N 1 1 303.324 3.484 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000768245376 622447416 /nfs/dbraw/zinc/44/74/16/622447416.db2.gz QRDFBGSPOAKBBM-LJQANCHMSA-N 1 1 310.441 3.407 20 10 DGCDMO 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CC(C)[N@@H+](Cc1ccccc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000770508688 622640477 /nfs/dbraw/zinc/64/04/77/622640477.db2.gz DZSJTPHWQJQOPF-UHFFFAOYSA-N 1 1 323.396 3.452 20 10 DGCDMO CC(C)[N@H+](Cc1ccccc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000770508688 622640480 /nfs/dbraw/zinc/64/04/80/622640480.db2.gz DZSJTPHWQJQOPF-UHFFFAOYSA-N 1 1 323.396 3.452 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@H](C(F)F)CC2)cc1Cl ZINC000872253995 622868150 /nfs/dbraw/zinc/86/81/50/622868150.db2.gz OHNCXTYSMGKDCA-ZDUSSCGKSA-N 1 1 305.752 3.210 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](C(F)F)CC1)CCCC2 ZINC000872681833 622952751 /nfs/dbraw/zinc/95/27/51/622952751.db2.gz UVEXNSKQWXYIRF-MRXNPFEDSA-N 1 1 311.372 3.127 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1C(C)C ZINC000872725334 622960345 /nfs/dbraw/zinc/96/03/45/622960345.db2.gz RSLOWICQZYQYLT-CRAIPNDOSA-N 1 1 302.462 3.350 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1C(C)C ZINC000872725334 622960352 /nfs/dbraw/zinc/96/03/52/622960352.db2.gz RSLOWICQZYQYLT-CRAIPNDOSA-N 1 1 302.462 3.350 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1C(C)C ZINC000872725337 622960723 /nfs/dbraw/zinc/96/07/23/622960723.db2.gz RSLOWICQZYQYLT-YJBOKZPZSA-N 1 1 302.462 3.350 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1C(C)C ZINC000872725337 622960726 /nfs/dbraw/zinc/96/07/26/622960726.db2.gz RSLOWICQZYQYLT-YJBOKZPZSA-N 1 1 302.462 3.350 20 10 DGCDMO CCCOc1ccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000873012211 623017120 /nfs/dbraw/zinc/01/71/20/623017120.db2.gz DHZPPOSNTHMXTK-KRWDZBQOSA-N 1 1 302.462 3.358 20 10 DGCDMO CCCOc1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000873012211 623017126 /nfs/dbraw/zinc/01/71/26/623017126.db2.gz DHZPPOSNTHMXTK-KRWDZBQOSA-N 1 1 302.462 3.358 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000773745324 623066834 /nfs/dbraw/zinc/06/68/34/623066834.db2.gz AOCUEZRNGDBPNN-QGZVFWFLSA-N 1 1 310.445 3.312 20 10 DGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](c3nccn3C)C2)cc1 ZINC000773895009 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COc1c(O)c(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774972871 623212920 /nfs/dbraw/zinc/21/29/20/623212920.db2.gz DKJZKVSJNQYGLJ-VXGBXAGGSA-N 1 1 308.378 3.225 20 10 DGCDMO COc1c(O)c(C[NH2+]Cc2c(C)cccc2F)ccc1[N+](=O)[O-] ZINC000775031209 623218575 /nfs/dbraw/zinc/21/85/75/623218575.db2.gz ZMOHIPIHWXXPON-UHFFFAOYSA-N 1 1 320.320 3.046 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000775056111 623221998 /nfs/dbraw/zinc/22/19/98/623221998.db2.gz VTWMANYEGBFTAV-IACUBPJLSA-N 1 1 320.389 3.320 20 10 DGCDMO COc1c(O)c(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000775056111 623221999 /nfs/dbraw/zinc/22/19/99/623221999.db2.gz VTWMANYEGBFTAV-IACUBPJLSA-N 1 1 320.389 3.320 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)[C@H]3CCSC3)c2c1 ZINC000124967812 623264566 /nfs/dbraw/zinc/26/45/66/623264566.db2.gz HVLWKJYMAZIIDM-ZDUSSCGKSA-N 1 1 303.427 3.491 20 10 DGCDMO CN1CCN(c2ccc(C[NH+]3CCCCCCC3)cc2)CC1 ZINC000775638822 623301072 /nfs/dbraw/zinc/30/10/72/623301072.db2.gz IGWCTLSRLQYHOD-UHFFFAOYSA-N 1 1 301.478 3.205 20 10 DGCDMO CCc1nn(C)cc1C[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000775647006 623303475 /nfs/dbraw/zinc/30/34/75/623303475.db2.gz QLOBXSZCNVPGGO-UHFFFAOYSA-N 1 1 314.477 3.461 20 10 DGCDMO CC[NH+](CC)[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000775648095 623303666 /nfs/dbraw/zinc/30/36/66/623303666.db2.gz QPXCCTFCVRRMQJ-CYBMUJFWSA-N 1 1 300.805 3.101 20 10 DGCDMO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775652576 623304614 /nfs/dbraw/zinc/30/46/14/623304614.db2.gz NFRIEHWVLJZWLI-IBGZPJMESA-N 1 1 301.478 3.059 20 10 DGCDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775652576 623304619 /nfs/dbraw/zinc/30/46/19/623304619.db2.gz NFRIEHWVLJZWLI-IBGZPJMESA-N 1 1 301.478 3.059 20 10 DGCDMO C[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@H]1C ZINC000775669175 623310005 /nfs/dbraw/zinc/31/00/05/623310005.db2.gz TVXKLQOKJXQTTE-IRXDYDNUSA-N 1 1 301.478 3.059 20 10 DGCDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@H]1C ZINC000775669175 623310009 /nfs/dbraw/zinc/31/00/09/623310009.db2.gz TVXKLQOKJXQTTE-IRXDYDNUSA-N 1 1 301.478 3.059 20 10 DGCDMO CC[NH+](CC)C[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000775723346 623319389 /nfs/dbraw/zinc/31/93/89/623319389.db2.gz FQXGJQXNTHDTDU-GFCCVEGCSA-N 1 1 314.832 3.348 20 10 DGCDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775726414 623319432 /nfs/dbraw/zinc/31/94/32/623319432.db2.gz RKOZDABLQOWLNX-LJQANCHMSA-N 1 1 301.478 3.060 20 10 DGCDMO CC[C@]1(C)CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775726414 623319435 /nfs/dbraw/zinc/31/94/35/623319435.db2.gz RKOZDABLQOWLNX-LJQANCHMSA-N 1 1 301.478 3.060 20 10 DGCDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775726414 623319442 /nfs/dbraw/zinc/31/94/42/623319442.db2.gz RKOZDABLQOWLNX-LJQANCHMSA-N 1 1 301.478 3.060 20 10 DGCDMO COc1ccc(O)c(C[N@@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c1 ZINC000775740556 623322564 /nfs/dbraw/zinc/32/25/64/623322564.db2.gz OBKGHFFBPHAGCQ-DJJJIMSYSA-N 1 1 313.397 3.225 20 10 DGCDMO C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc(F)c3[O-])CC[C@H]21 ZINC000775742539 623323370 /nfs/dbraw/zinc/32/33/70/623323370.db2.gz UUFGYCYROOJSLP-XHDPSFHLSA-N 1 1 312.816 3.101 20 10 DGCDMO C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])CC[C@H]21 ZINC000775742539 623323376 /nfs/dbraw/zinc/32/33/76/623323376.db2.gz UUFGYCYROOJSLP-XHDPSFHLSA-N 1 1 312.816 3.101 20 10 DGCDMO C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])CC[C@H]21 ZINC000775742539 623323384 /nfs/dbraw/zinc/32/33/84/623323384.db2.gz UUFGYCYROOJSLP-XHDPSFHLSA-N 1 1 312.816 3.101 20 10 DGCDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775997428 623362727 /nfs/dbraw/zinc/36/27/27/623362727.db2.gz ASMWQYAPVBYOEU-YOEHRIQHSA-N 1 1 306.425 3.283 20 10 DGCDMO CC(C)(C)[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000790410270 625649730 /nfs/dbraw/zinc/64/97/30/625649730.db2.gz BNQARCUXTUNGQY-KRWDZBQOSA-N 1 1 300.402 3.187 20 10 DGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777438914 623524866 /nfs/dbraw/zinc/52/48/66/623524866.db2.gz SLQFWAAJXYNHMC-KRWDZBQOSA-N 1 1 321.779 3.278 20 10 DGCDMO COc1cc(C[N@@H+](C)Cc2cc(Cl)ccc2O)ccc1O ZINC000125967760 623624952 /nfs/dbraw/zinc/62/49/52/623624952.db2.gz WBZQPONBWZHUHY-UHFFFAOYSA-N 1 1 307.777 3.392 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000876590972 623653841 /nfs/dbraw/zinc/65/38/41/623653841.db2.gz CBMRKXUFRPZJMV-GOSISDBHSA-N 1 1 301.361 3.413 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000876611876 623659478 /nfs/dbraw/zinc/65/94/78/623659478.db2.gz UNTNWULDGYSRCK-GFCCVEGCSA-N 1 1 303.324 3.244 20 10 DGCDMO C[C@H]1CCCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876732986 623692179 /nfs/dbraw/zinc/69/21/79/623692179.db2.gz LHCUIKNWLCOSHG-INIZCTEOSA-N 1 1 302.462 3.412 20 10 DGCDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876748069 623695300 /nfs/dbraw/zinc/69/53/00/623695300.db2.gz ULGVRTPLDXSCOZ-WBVHZDCISA-N 1 1 302.462 3.268 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000876807471 623710922 /nfs/dbraw/zinc/71/09/22/623710922.db2.gz FASODUOLSUIYHP-YOEHRIQHSA-N 1 1 301.386 3.382 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000876817888 623716315 /nfs/dbraw/zinc/71/63/15/623716315.db2.gz OIDYFSYLRREBGZ-CQSZACIVSA-N 1 1 312.417 3.076 20 10 DGCDMO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000876817888 623716319 /nfs/dbraw/zinc/71/63/19/623716319.db2.gz OIDYFSYLRREBGZ-CQSZACIVSA-N 1 1 312.417 3.076 20 10 DGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000876817888 623716322 /nfs/dbraw/zinc/71/63/22/623716322.db2.gz OIDYFSYLRREBGZ-CQSZACIVSA-N 1 1 312.417 3.076 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000779010373 623720825 /nfs/dbraw/zinc/72/08/25/623720825.db2.gz UMENILRBOMCGAG-GOSISDBHSA-N 1 1 301.361 3.495 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc(F)ccc1O ZINC000779018334 623721504 /nfs/dbraw/zinc/72/15/04/623721504.db2.gz LBIWOXQXMBRWTI-OAHLLOKOSA-N 1 1 314.404 3.238 20 10 DGCDMO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000779018334 623721508 /nfs/dbraw/zinc/72/15/08/623721508.db2.gz LBIWOXQXMBRWTI-OAHLLOKOSA-N 1 1 314.404 3.238 20 10 DGCDMO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1cc(F)ccc1O ZINC000779018334 623721513 /nfs/dbraw/zinc/72/15/13/623721513.db2.gz LBIWOXQXMBRWTI-OAHLLOKOSA-N 1 1 314.404 3.238 20 10 DGCDMO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cocn2)c1O ZINC000779039196 623723823 /nfs/dbraw/zinc/72/38/23/623723823.db2.gz AQZUJGYDBIVVJP-VIFPVBQESA-N 1 1 311.179 3.302 20 10 DGCDMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1O ZINC000779201483 623741612 /nfs/dbraw/zinc/74/16/12/623741612.db2.gz QAKUBUHWKBYBGE-OKILXGFUSA-N 1 1 320.433 3.222 20 10 DGCDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000779604131 623781191 /nfs/dbraw/zinc/78/11/91/623781191.db2.gz HJXORRQJLCKTMM-HNNXBMFYSA-N 1 1 305.418 3.112 20 10 DGCDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877460747 623892866 /nfs/dbraw/zinc/89/28/66/623892866.db2.gz UKQQVOHCBRQPHU-CQSZACIVSA-N 1 1 303.324 3.244 20 10 DGCDMO COCCC[N@@H+](Cc1ccncc1)Cc1c(C)cccc1O ZINC000877525377 623924999 /nfs/dbraw/zinc/92/49/99/623924999.db2.gz AVHCNAIJTYLPEH-UHFFFAOYSA-N 1 1 300.402 3.134 20 10 DGCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@@H](C4CC4)C3)cc2)CC1 ZINC000877535481 623930140 /nfs/dbraw/zinc/93/01/40/623930140.db2.gz OGRYWSIJMZGQBQ-GOSISDBHSA-N 1 1 314.473 3.270 20 10 DGCDMO O=C1C[C@]2(CC[N@H+](Cc3ccccc3O)C2)Oc2ccccc21 ZINC000877590025 623953735 /nfs/dbraw/zinc/95/37/35/623953735.db2.gz WHGMTVMYCQCOJU-IBGZPJMESA-N 1 1 309.365 3.002 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000780788942 623985816 /nfs/dbraw/zinc/98/58/16/623985816.db2.gz DWHROFUTAQMBTE-HNNXBMFYSA-N 1 1 313.397 3.302 20 10 DGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000877672487 623987241 /nfs/dbraw/zinc/98/72/41/623987241.db2.gz FYXOIHWSJXVBEO-FUHWJXTLSA-N 1 1 313.397 3.099 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)cc1F ZINC000780892554 623994217 /nfs/dbraw/zinc/99/42/17/623994217.db2.gz LIIIWFFRTVURPZ-HOCLYGCPSA-N 1 1 308.441 3.265 20 10 DGCDMO O=C(c1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1)N1CCCC1 ZINC000877702810 623997789 /nfs/dbraw/zinc/99/77/89/623997789.db2.gz IJURWAMEYVZXNK-UHFFFAOYSA-N 1 1 322.408 3.144 20 10 DGCDMO COc1ccc([C@H]2C[N@@H+](Cc3cccc(C)c3O)CCO2)cc1 ZINC000877757723 624023765 /nfs/dbraw/zinc/02/37/65/624023765.db2.gz SKOIRUVLIRFDIH-GOSISDBHSA-N 1 1 313.397 3.283 20 10 DGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000877814140 624046344 /nfs/dbraw/zinc/04/63/44/624046344.db2.gz UGTFSTGNEYOTTC-LBPRGKRZSA-N 1 1 304.415 3.155 20 10 DGCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@H](C(F)(F)F)O1 ZINC000877824300 624056267 /nfs/dbraw/zinc/05/62/67/624056267.db2.gz QZMCXEYPRADATI-NOZJJQNGSA-N 1 1 307.287 3.073 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)[C@H]2CCSC2)c1 ZINC000781897221 624166785 /nfs/dbraw/zinc/16/67/85/624166785.db2.gz PXSYHRAXGCVRRM-NSHDSACASA-N 1 1 316.264 3.400 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)cc1F ZINC000126885422 624162925 /nfs/dbraw/zinc/16/29/25/624162925.db2.gz GIWALDPTQJMAKO-SFHVURJKSA-N 1 1 316.420 3.447 20 10 DGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000781897221 624166784 /nfs/dbraw/zinc/16/67/84/624166784.db2.gz PXSYHRAXGCVRRM-NSHDSACASA-N 1 1 316.264 3.400 20 10 DGCDMO Oc1ccccc1C[N@@H+](CC[C@@H]1CCOC1)Cc1ccco1 ZINC000783498971 624358995 /nfs/dbraw/zinc/35/89/95/624358995.db2.gz YNXBWPZGMIFVMI-OAHLLOKOSA-N 1 1 301.386 3.414 20 10 DGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c(O)c1 ZINC000783597384 624373176 /nfs/dbraw/zinc/37/31/76/624373176.db2.gz MOXKDEHUHGHHKC-INIZCTEOSA-N 1 1 312.413 3.251 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)cc1F ZINC000783727816 624388288 /nfs/dbraw/zinc/38/82/88/624388288.db2.gz FOKGCJVENIDUKS-QGZVFWFLSA-N 1 1 308.441 3.265 20 10 DGCDMO COc1ccc2c(c1)CC[N@H+](Cc1cc3c(cc1O)CCC3)CC2 ZINC000783979200 624415843 /nfs/dbraw/zinc/41/58/43/624415843.db2.gz CUBRRRCAPFPAEW-UHFFFAOYSA-N 1 1 323.436 3.490 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1(C)CCCC1 ZINC000787337401 625002618 /nfs/dbraw/zinc/00/26/18/625002618.db2.gz LGCKJPOZPDUQAW-UHFFFAOYSA-N 1 1 306.425 3.427 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000787438562 625010922 /nfs/dbraw/zinc/01/09/22/625010922.db2.gz BWXBRKRXIRMOIP-CQSZACIVSA-N 1 1 311.809 3.352 20 10 DGCDMO CCOC(=O)[C@@H](CC)[N@@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000787438562 625010926 /nfs/dbraw/zinc/01/09/26/625010926.db2.gz BWXBRKRXIRMOIP-CQSZACIVSA-N 1 1 311.809 3.352 20 10 DGCDMO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788669816 625238018 /nfs/dbraw/zinc/23/80/18/625238018.db2.gz PNFWOCYEXBHTPZ-ULQSSITMSA-N 1 1 323.380 3.219 20 10 DGCDMO COCCOC[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788666748 625238146 /nfs/dbraw/zinc/23/81/46/625238146.db2.gz SKVZDPZAYFFOOF-GHMZBOCLSA-N 1 1 321.339 3.113 20 10 DGCDMO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788756235 625259272 /nfs/dbraw/zinc/25/92/72/625259272.db2.gz VPDNRTVSSDMBPT-MJKAUQOVSA-N 1 1 303.324 3.389 20 10 DGCDMO C[C@H]([NH2+]CC1(C)OCCCO1)c1cccc(C(F)(F)F)c1O ZINC000788783729 625264773 /nfs/dbraw/zinc/26/47/73/625264773.db2.gz NVMVHACNPJQCRQ-JTQLQIEISA-N 1 1 319.323 3.215 20 10 DGCDMO C[C@H]([NH2+]CCN1CC=CCC1)c1cccc(C(F)(F)F)c1O ZINC000788803830 625270111 /nfs/dbraw/zinc/27/01/11/625270111.db2.gz HNYOMAINJFQCTI-LBPRGKRZSA-N 1 1 314.351 3.324 20 10 DGCDMO C[C@@H]([NH2+]CCC1(O)CCC1)c1cccc(C(F)(F)F)c1O ZINC000788826872 625277148 /nfs/dbraw/zinc/27/71/48/625277148.db2.gz HITPEOXDLYOMLE-SNVBAGLBSA-N 1 1 303.324 3.367 20 10 DGCDMO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790950179 625720607 /nfs/dbraw/zinc/72/06/07/625720607.db2.gz MIFQRUSTNCZWBX-LBPRGKRZSA-N 1 1 309.772 3.085 20 10 DGCDMO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790950177 625720879 /nfs/dbraw/zinc/72/08/79/625720879.db2.gz MIFQRUSTNCZWBX-GFCCVEGCSA-N 1 1 309.772 3.085 20 10 DGCDMO OC[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)Cc1ccccc1 ZINC000790955219 625721986 /nfs/dbraw/zinc/72/19/86/625721986.db2.gz CQVNJFCFGMMMME-CYBMUJFWSA-N 1 1 323.795 3.126 20 10 DGCDMO C[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)N1CCCCC1 ZINC000790954786 625722034 /nfs/dbraw/zinc/72/20/34/625722034.db2.gz YJHMZUCCBSUWAR-NSHDSACASA-N 1 1 300.805 3.149 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000790955751 625722540 /nfs/dbraw/zinc/72/25/40/625722540.db2.gz XYGNTKOLVYWRAF-UHFFFAOYSA-N 1 1 307.752 3.409 20 10 DGCDMO CC1(C)[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@@H]2CCCO[C@H]21 ZINC000790973478 625726685 /nfs/dbraw/zinc/72/66/85/625726685.db2.gz PEYKDIDUACQPFB-TZTCFGBESA-N 1 1 313.800 3.478 20 10 DGCDMO OCC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCCCC1 ZINC000790974323 625727173 /nfs/dbraw/zinc/72/71/73/625727173.db2.gz RULLBVFNJBWTBO-UHFFFAOYSA-N 1 1 301.789 3.217 20 10 DGCDMO CN(C)c1ccc(CNCC(C)(C)C[NH+]2CCCC2)cc1F ZINC000791011099 625737254 /nfs/dbraw/zinc/73/72/54/625737254.db2.gz NWLJLFKESHMTFS-UHFFFAOYSA-N 1 1 307.457 3.103 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000882880608 625843437 /nfs/dbraw/zinc/84/34/37/625843437.db2.gz AQIOHUOAUANYTD-LLVKDONJSA-N 1 1 305.324 3.011 20 10 DGCDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000882991303 625887783 /nfs/dbraw/zinc/88/77/83/625887783.db2.gz UTDCANIVEIVJEQ-AWEZNQCLSA-N 1 1 309.287 3.423 20 10 DGCDMO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1cc(F)cc(F)c1O ZINC000883018676 625898968 /nfs/dbraw/zinc/89/89/68/625898968.db2.gz LMPYUHSXKYFCKY-HNNXBMFYSA-N 1 1 321.323 3.292 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000792173049 625919322 /nfs/dbraw/zinc/91/93/22/625919322.db2.gz QBQPEJFGGMEXQI-VXGBXAGGSA-N 1 1 313.800 3.433 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000792173049 625919327 /nfs/dbraw/zinc/91/93/27/625919327.db2.gz QBQPEJFGGMEXQI-VXGBXAGGSA-N 1 1 313.800 3.433 20 10 DGCDMO CN(C)C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc(F)cc1 ZINC000883120089 625932612 /nfs/dbraw/zinc/93/26/12/625932612.db2.gz SNLIIXSPMLFUMZ-INIZCTEOSA-N 1 1 324.346 3.202 20 10 DGCDMO CC[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(F)cc1O ZINC000796673063 626072098 /nfs/dbraw/zinc/07/20/98/626072098.db2.gz PXVGSKUGQAGQQR-MRXNPFEDSA-N 1 1 322.424 3.365 20 10 DGCDMO CC[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(F)cc1O ZINC000796685982 626073166 /nfs/dbraw/zinc/07/31/66/626073166.db2.gz VHYCJIDBFYWSEA-OAHLLOKOSA-N 1 1 317.364 3.263 20 10 DGCDMO CC[C@@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(F)cc1O ZINC000796685671 626073189 /nfs/dbraw/zinc/07/31/89/626073189.db2.gz ZPTCEYWLWBCRNJ-MRXNPFEDSA-N 1 1 305.397 3.165 20 10 DGCDMO CC[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(F)cc1O ZINC000796777057 626081388 /nfs/dbraw/zinc/08/13/88/626081388.db2.gz AIDMQXIXYQQVJE-ZDUSSCGKSA-N 1 1 309.410 3.295 20 10 DGCDMO CC[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(F)cc1O ZINC000796795964 626084053 /nfs/dbraw/zinc/08/40/53/626084053.db2.gz FSOPGZFDZZFOCR-WBMJQRKESA-N 1 1 307.365 3.016 20 10 DGCDMO CC[C@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1ccc(F)cc1O ZINC000796818539 626086103 /nfs/dbraw/zinc/08/61/03/626086103.db2.gz VBINUGWCYVABJA-RDJZCZTQSA-N 1 1 322.424 3.219 20 10 DGCDMO CC[C@@H]([NH2+][C@H](CO)Cc1ccccc1C)c1ccc(F)cc1O ZINC000796959207 626100086 /nfs/dbraw/zinc/10/00/86/626100086.db2.gz LVPHIPBKPZRZGX-FUHWJXTLSA-N 1 1 317.404 3.484 20 10 DGCDMO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2O)C1 ZINC000796978042 626101340 /nfs/dbraw/zinc/10/13/40/626101340.db2.gz KVQLBRWIPCRSJN-OSAQELSMSA-N 1 1 309.381 3.304 20 10 DGCDMO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000799151090 626275866 /nfs/dbraw/zinc/27/58/66/626275866.db2.gz TVPONLHHTHVPOK-GOSISDBHSA-N 1 1 311.429 3.342 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@@H+](CC)[C@@H]2CCNC2=O)cc1 ZINC000799737895 626326433 /nfs/dbraw/zinc/32/64/33/626326433.db2.gz QBSWSLHNWREMKC-GOSISDBHSA-N 1 1 317.477 3.023 20 10 DGCDMO Cc1cc(F)cc2c1C[N@@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000799950300 626337657 /nfs/dbraw/zinc/33/76/57/626337657.db2.gz KWWIAWIDGOKKKJ-UHFFFAOYSA-N 1 1 315.344 3.127 20 10 DGCDMO COc1cccc(C[N@H+]2CCc3cc(F)cc(C)c3C2)c1O ZINC000800535478 626366765 /nfs/dbraw/zinc/36/67/65/626366765.db2.gz CPPVZRVENJEIDI-UHFFFAOYSA-N 1 1 301.361 3.407 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000801601178 626411791 /nfs/dbraw/zinc/41/17/91/626411791.db2.gz ZDIUTJPGGNURKQ-UHFFFAOYSA-N 1 1 313.401 3.335 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1cccs1 ZINC000883288426 626637652 /nfs/dbraw/zinc/63/76/52/626637652.db2.gz DWKGCJUMOSVFFN-HNNXBMFYSA-N 1 1 315.486 3.351 20 10 DGCDMO CC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@@H]1CCCOC1 ZINC000883353486 626657218 /nfs/dbraw/zinc/65/72/18/626657218.db2.gz VNGVJCXMOPWURR-ZWNOBZJWSA-N 1 1 301.789 3.480 20 10 DGCDMO CCN1CC[C@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000883355594 626658050 /nfs/dbraw/zinc/65/80/50/626658050.db2.gz UXVNSZUMAWGXGT-MNOVXSKESA-N 1 1 302.340 3.156 20 10 DGCDMO 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CO[C@@H](C)C[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809718794 626940938 /nfs/dbraw/zinc/94/09/38/626940938.db2.gz YPFNVMSXBYRJHA-AWEZNQCLSA-N 1 1 321.421 3.052 20 10 DGCDMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1O ZINC000809722552 626941982 /nfs/dbraw/zinc/94/19/82/626941982.db2.gz BQCWKCHJPGHARQ-INIZCTEOSA-N 1 1 320.433 3.143 20 10 DGCDMO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C)ccc1O ZINC000809726201 626942008 /nfs/dbraw/zinc/94/20/08/626942008.db2.gz LERQYQPDGMBJJF-INIZCTEOSA-N 1 1 320.433 3.191 20 10 DGCDMO CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809735665 626943400 /nfs/dbraw/zinc/94/34/00/626943400.db2.gz NXBAMZVBVXGOFB-NSHDSACASA-N 1 1 300.805 3.005 20 10 DGCDMO CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809735664 626943619 /nfs/dbraw/zinc/94/36/19/626943619.db2.gz NXBAMZVBVXGOFB-LLVKDONJSA-N 1 1 300.805 3.005 20 10 DGCDMO CN(C)CC[N@@H+](CCCc1ccccc1)Cc1ccccc1O ZINC000809737262 626943677 /nfs/dbraw/zinc/94/36/77/626943677.db2.gz SSDYCXBKJOVBHY-UHFFFAOYSA-N 1 1 312.457 3.389 20 10 DGCDMO C[NH+](C)CCN(Cc1ccccn1)Cc1cccc(Cl)c1O ZINC000809742413 626945009 /nfs/dbraw/zinc/94/50/09/626945009.db2.gz XBHLKFIPJXYGGU-UHFFFAOYSA-N 1 1 319.836 3.004 20 10 DGCDMO CN(CC[N@@H+](C)C1CC1)Cc1ccc(N2CCCCC2)cc1 ZINC000809755366 626947529 /nfs/dbraw/zinc/94/75/29/626947529.db2.gz PSWXPEXPVXWEPX-UHFFFAOYSA-N 1 1 301.478 3.203 20 10 DGCDMO CN(CC[N@H+](C)Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000809755366 626947530 /nfs/dbraw/zinc/94/75/30/626947530.db2.gz PSWXPEXPVXWEPX-UHFFFAOYSA-N 1 1 301.478 3.203 20 10 DGCDMO CN(CC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000809755366 626947531 /nfs/dbraw/zinc/94/75/31/626947531.db2.gz PSWXPEXPVXWEPX-UHFFFAOYSA-N 1 1 301.478 3.203 20 10 DGCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@H](CC(N)=O)C2)cc1 ZINC000809785053 626952334 /nfs/dbraw/zinc/95/23/34/626952334.db2.gz NESAVINDTVIAOC-QGZVFWFLSA-N 1 1 317.477 3.010 20 10 DGCDMO Cc1cc(O)c(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)cc1C(C)C ZINC000840187659 626958487 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C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1c(O)cccc1F ZINC000886511153 627154837 /nfs/dbraw/zinc/15/48/37/627154837.db2.gz KMVXUTSMDLXVRP-JSGCOSHPSA-N 1 1 321.367 3.172 20 10 DGCDMO C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1c(O)cccc1F ZINC000886513090 627155705 /nfs/dbraw/zinc/15/57/05/627155705.db2.gz SZKVYMZGBJYEDG-STQMWFEESA-N 1 1 301.361 3.433 20 10 DGCDMO C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1c(O)cccc1F ZINC000886547546 627160669 /nfs/dbraw/zinc/16/06/69/627160669.db2.gz NBKJJMXDPSHKNI-XEZPLFJOSA-N 1 1 303.377 3.347 20 10 DGCDMO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886594556 627169153 /nfs/dbraw/zinc/16/91/53/627169153.db2.gz OYOTYWVEBNAOGQ-NEPJUHHUSA-N 1 1 324.396 3.049 20 10 DGCDMO C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1c(O)cccc1F ZINC000886609232 627172660 /nfs/dbraw/zinc/17/26/60/627172660.db2.gz OYCGJHMCVTWPOW-IPQOISQHSA-N 1 1 321.417 3.261 20 10 DGCDMO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1c(O)cccc1F ZINC000886612490 627173077 /nfs/dbraw/zinc/17/30/77/627173077.db2.gz MKSYYHNFDWHMHM-OHNRDTAOSA-N 1 1 315.388 3.348 20 10 DGCDMO C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1c(O)cccc1F ZINC000886648199 627180072 /nfs/dbraw/zinc/18/00/72/627180072.db2.gz NPLDNLOBUDAZLN-BLLLJJGKSA-N 1 1 300.377 3.369 20 10 DGCDMO C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1c(O)cccc1F ZINC000886649475 627180700 /nfs/dbraw/zinc/18/07/00/627180700.db2.gz BRADTHWUDGQRJW-ZETCQYMHSA-N 1 1 317.229 3.354 20 10 DGCDMO COCC[C@H]1COCC[N@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000812302385 627368873 /nfs/dbraw/zinc/36/88/73/627368873.db2.gz WNKKIANIRQHMRS-INIZCTEOSA-N 1 1 321.461 3.235 20 10 DGCDMO C[C@@]12CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]1C2(F)F ZINC000814169628 627545897 /nfs/dbraw/zinc/54/58/97/627545897.db2.gz KZRFWRDGUICXDD-DLBZAZTESA-N 1 1 322.399 3.000 20 10 DGCDMO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)o1 ZINC000815030632 627617759 /nfs/dbraw/zinc/61/77/59/627617759.db2.gz PZUOADQXCCXRSP-INIZCTEOSA-N 1 1 314.433 3.132 20 10 DGCDMO Cc1cc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000815059633 627620800 /nfs/dbraw/zinc/62/08/00/627620800.db2.gz YROVPNPACIJMHZ-INIZCTEOSA-N 1 1 318.461 3.225 20 10 DGCDMO Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1N(C)C ZINC000815074238 627622906 /nfs/dbraw/zinc/62/29/06/627622906.db2.gz MVFNTLLAMBDPJY-ZWKOTPCHSA-N 1 1 302.462 3.310 20 10 DGCDMO Cc1cc(C[N@H+]2C[C@H](N3CCCC3)C[C@@H]2C)ccc1N(C)C ZINC000815118518 627629706 /nfs/dbraw/zinc/62/97/06/627629706.db2.gz WLGSIQPCIATWAS-FUHWJXTLSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(C[N@@H+]2C[C@H](N3CCCC3)C[C@@H]2C)ccc1N(C)C ZINC000815118518 627629708 /nfs/dbraw/zinc/62/97/08/627629708.db2.gz WLGSIQPCIATWAS-FUHWJXTLSA-N 1 1 301.478 3.120 20 10 DGCDMO Cc1cc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)ccc1N(C)C ZINC000815121236 627630916 /nfs/dbraw/zinc/63/09/16/627630916.db2.gz SZCVGAYQQUMKFZ-SFHVURJKSA-N 1 1 302.462 3.310 20 10 DGCDMO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)nn1 ZINC000924646541 627662261 /nfs/dbraw/zinc/66/22/61/627662261.db2.gz CAXQBZBIQDBGTQ-HNNXBMFYSA-N 1 1 313.449 3.310 20 10 DGCDMO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cccc(C(F)(F)F)c1O ZINC000815563998 627685659 /nfs/dbraw/zinc/68/56/59/627685659.db2.gz UPOZNXXKNZXANP-WDEREUQCSA-N 1 1 302.340 3.156 20 10 DGCDMO C[C@H]([NH2+]CC1=CCCOC1)c1cccc(C(F)(F)F)c1O ZINC000815626560 627692399 /nfs/dbraw/zinc/69/23/99/627692399.db2.gz HCENNPTTZUDULJ-JTQLQIEISA-N 1 1 301.308 3.408 20 10 DGCDMO CC[C@@H](c1ccc(F)cc1O)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925753880 627788576 /nfs/dbraw/zinc/78/85/76/627788576.db2.gz KUHRAQMFAWMOLC-INIZCTEOSA-N 1 1 316.376 3.459 20 10 DGCDMO CC[C@@H](c1ccc(F)cc1O)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753880 627788578 /nfs/dbraw/zinc/78/85/78/627788578.db2.gz KUHRAQMFAWMOLC-INIZCTEOSA-N 1 1 316.376 3.459 20 10 DGCDMO CC[N@H+](Cc1cnn(C)c1Cl)Cc1ccc(N(C)C)cc1 ZINC000816480213 627795078 /nfs/dbraw/zinc/79/50/78/627795078.db2.gz GWMVTEXFDHKIID-UHFFFAOYSA-N 1 1 306.841 3.162 20 10 DGCDMO CC[N@@H+](Cc1cnn(C)c1Cl)Cc1ccc(N(C)C)cc1 ZINC000816480213 627795080 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3.347 20 10 DGCDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000816514725 627800035 /nfs/dbraw/zinc/80/00/35/627800035.db2.gz FXVVOTZUBYVTHP-NHYWBVRUSA-N 1 1 314.832 3.347 20 10 DGCDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000816514725 627800039 /nfs/dbraw/zinc/80/00/39/627800039.db2.gz FXVVOTZUBYVTHP-NHYWBVRUSA-N 1 1 314.832 3.347 20 10 DGCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)c(F)cc1[O-] ZINC000816520544 627801398 /nfs/dbraw/zinc/80/13/98/627801398.db2.gz RQZCGUDNMYJZGG-OLZOCXBDSA-N 1 1 312.816 3.243 20 10 DGCDMO C[C@@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCCC[C@@H]1O ZINC000816555868 627806474 /nfs/dbraw/zinc/80/64/74/627806474.db2.gz SCPRMSNQFSFDJC-GJZGRUSLSA-N 1 1 301.789 3.216 20 10 DGCDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1O ZINC000816560691 627808020 /nfs/dbraw/zinc/80/80/20/627808020.db2.gz XMVVMXNXNDFUIL-IAQYHMDHSA-N 1 1 315.816 3.414 20 10 DGCDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1O ZINC000816560691 627808023 /nfs/dbraw/zinc/80/80/23/627808023.db2.gz XMVVMXNXNDFUIL-IAQYHMDHSA-N 1 1 315.816 3.414 20 10 DGCDMO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816588720 627811835 /nfs/dbraw/zinc/81/18/35/627811835.db2.gz WWLKCYATRPIEBP-AWEZNQCLSA-N 1 1 323.795 3.186 20 10 DGCDMO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816588260 627811895 /nfs/dbraw/zinc/81/18/95/627811895.db2.gz JOPNYNMUZNVYRO-CQSZACIVSA-N 1 1 323.795 3.186 20 10 DGCDMO CCOc1ccc(CN2CC[N@@H+](C)Cc3ccccc32)c(O)c1 ZINC000816618462 627815205 /nfs/dbraw/zinc/81/52/05/627815205.db2.gz YKEXIVBQHRKJFY-UHFFFAOYSA-N 1 1 312.413 3.243 20 10 DGCDMO CC(C)[C@]1(CO)CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000816662143 627821439 /nfs/dbraw/zinc/82/14/39/627821439.db2.gz IPUKEEJFGJTERJ-MRXNPFEDSA-N 1 1 315.816 3.415 20 10 DGCDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000816662143 627821441 /nfs/dbraw/zinc/82/14/41/627821441.db2.gz IPUKEEJFGJTERJ-MRXNPFEDSA-N 1 1 315.816 3.415 20 10 DGCDMO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)cc1F ZINC000816667614 627823248 /nfs/dbraw/zinc/82/32/48/627823248.db2.gz RLMBYAPWZMESMX-INIZCTEOSA-N 1 1 306.425 3.283 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)cc1F ZINC000816667614 627823251 /nfs/dbraw/zinc/82/32/51/627823251.db2.gz RLMBYAPWZMESMX-INIZCTEOSA-N 1 1 306.425 3.283 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)C[C@H]3CCCN3C)c2c1 ZINC000817372902 627891081 /nfs/dbraw/zinc/89/10/81/627891081.db2.gz LHCKPRVVICDODD-OAHLLOKOSA-N 1 1 314.429 3.080 20 10 DGCDMO COc1ccc2ccc(O)c(CN(C)C[C@H]3CCC[N@@H+]3C)c2c1 ZINC000817372902 627891083 /nfs/dbraw/zinc/89/10/83/627891083.db2.gz LHCKPRVVICDODD-OAHLLOKOSA-N 1 1 314.429 3.080 20 10 DGCDMO COc1ccc2ccc(O)c(CN(C)C[C@H]3CCC[N@H+]3C)c2c1 ZINC000817372902 627891085 /nfs/dbraw/zinc/89/10/85/627891085.db2.gz LHCKPRVVICDODD-OAHLLOKOSA-N 1 1 314.429 3.080 20 10 DGCDMO OCC[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000817418789 627897692 /nfs/dbraw/zinc/89/76/92/627897692.db2.gz GMAJLIIUWYJBNW-NSHDSACASA-N 1 1 301.789 3.169 20 10 DGCDMO OCC[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000817418789 627897695 /nfs/dbraw/zinc/89/76/95/627897695.db2.gz GMAJLIIUWYJBNW-NSHDSACASA-N 1 1 301.789 3.169 20 10 DGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CCO)CC2)c1O ZINC000817418645 627897808 /nfs/dbraw/zinc/89/78/08/627897808.db2.gz AQGAEDGLVCKFIY-GFCCVEGCSA-N 1 1 313.825 3.039 20 10 DGCDMO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc(N(C)C)c(F)c2)nn1 ZINC000817419714 627898105 /nfs/dbraw/zinc/89/81/05/627898105.db2.gz KCVYFXSKZMQPKJ-UHFFFAOYSA-N 1 1 319.428 3.089 20 10 DGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)nc(C)c2)c1 ZINC000817589412 627927272 /nfs/dbraw/zinc/92/72/72/627927272.db2.gz NMTXHDIGKCHGRK-CYBMUJFWSA-N 1 1 314.385 3.041 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1[O-] ZINC000817880391 627952618 /nfs/dbraw/zinc/95/26/18/627952618.db2.gz RNAHNRIXWXZKJN-GYSYKLTISA-N 1 1 324.852 3.053 20 10 DGCDMO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000817898593 627955958 /nfs/dbraw/zinc/95/59/58/627955958.db2.gz JNDGDXOZNSQFKH-UWJYYQICSA-N 1 1 323.484 3.335 20 10 DGCDMO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000817898593 627955962 /nfs/dbraw/zinc/95/59/62/627955962.db2.gz JNDGDXOZNSQFKH-UWJYYQICSA-N 1 1 323.484 3.335 20 10 DGCDMO c1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc2c1OCC2 ZINC000817902544 627957457 /nfs/dbraw/zinc/95/74/57/627957457.db2.gz TWERPXGPEIBYOY-OKZBNKHCSA-N 1 1 300.446 3.022 20 10 DGCDMO C[C@H](NC1CC[NH2+]CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817935064 627966585 /nfs/dbraw/zinc/96/65/85/627966585.db2.gz FKNLIOPRXUOHHR-INIZCTEOSA-N 1 1 301.478 3.470 20 10 DGCDMO Cc1cc([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(C)o1 ZINC000817939216 627967394 /nfs/dbraw/zinc/96/73/94/627967394.db2.gz AMMIEAOHFFGXKI-UGSOOPFHSA-N 1 1 301.434 3.313 20 10 DGCDMO Cc1ccsc1[C@@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938954 627967835 /nfs/dbraw/zinc/96/78/35/627967835.db2.gz WFFPNQSMCIZVLV-CZUORRHYSA-N 1 1 303.475 3.473 20 10 DGCDMO C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000817976542 627981679 /nfs/dbraw/zinc/98/16/79/627981679.db2.gz NERKVNTXSSFJTQ-GHMZBOCLSA-N 1 1 315.255 3.323 20 10 DGCDMO C[C@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1cc(F)ccc1O ZINC000817984333 627983594 /nfs/dbraw/zinc/98/35/94/627983594.db2.gz QOKNRUGBVUPFTQ-SYTRPRECSA-N 1 1 318.436 3.336 20 10 DGCDMO CCN(C)c1ccc([C@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000817987412 627984145 /nfs/dbraw/zinc/98/41/45/627984145.db2.gz YTVRVDFYVKRYJK-RDJZCZTQSA-N 1 1 301.478 3.468 20 10 DGCDMO C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1c(O)cccc1F ZINC000926959315 627989660 /nfs/dbraw/zinc/98/96/60/627989660.db2.gz RHONCEPLKLKZMH-BXKDBHETSA-N 1 1 308.319 3.065 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(F)cc1O ZINC000927055854 628003322 /nfs/dbraw/zinc/00/33/22/628003322.db2.gz HRLGVFGQGYMCIF-DLKVLKDVSA-N 1 1 309.381 3.255 20 10 DGCDMO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)s1 ZINC000818357296 628018277 /nfs/dbraw/zinc/01/82/77/628018277.db2.gz YLMVHZQZPDLTQN-QWRGUYRKSA-N 1 1 320.414 3.356 20 10 DGCDMO Cc1cc([O-])c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000818431811 628022636 /nfs/dbraw/zinc/02/26/36/628022636.db2.gz UDGXJCXKDIPMBO-CYBMUJFWSA-N 1 1 308.853 3.318 20 10 DGCDMO Cc1cc([O-])c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000818431811 628022639 /nfs/dbraw/zinc/02/26/39/628022639.db2.gz UDGXJCXKDIPMBO-CYBMUJFWSA-N 1 1 308.853 3.318 20 10 DGCDMO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1O)c1cc(F)cc(F)c1O ZINC000927139248 628024537 /nfs/dbraw/zinc/02/45/37/628024537.db2.gz JYBYVRCGTINYCZ-HKJPBSJPSA-N 1 1 319.351 3.369 20 10 DGCDMO C[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccc(F)cc1O ZINC000927157669 628028657 /nfs/dbraw/zinc/02/86/57/628028657.db2.gz QPYJBEJEIMCSMQ-IYJAJMOOSA-N 1 1 315.388 3.275 20 10 DGCDMO CC[C@](C)(C(=O)OC)[N@H+](Cc1cccc(C)c1O)CC1CC1 ZINC000822504329 628458110 /nfs/dbraw/zinc/45/81/10/628458110.db2.gz RZBQRXNIVNQNLB-GOSISDBHSA-N 1 1 305.418 3.254 20 10 DGCDMO C[N@@H+](Cc1c(O)cccc1Cl)C[C@@](C)(O)c1ccccc1 ZINC000822515973 628459987 /nfs/dbraw/zinc/45/99/87/628459987.db2.gz GOQTXUTWZNBRFU-QGZVFWFLSA-N 1 1 305.805 3.385 20 10 DGCDMO Oc1ccc(F)cc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000822529821 628462081 /nfs/dbraw/zinc/46/20/81/628462081.db2.gz JTJTTZLJUSHRGD-KRWDZBQOSA-N 1 1 305.393 3.312 20 10 DGCDMO COCC[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823395285 628556294 /nfs/dbraw/zinc/55/62/94/628556294.db2.gz RUWGVECLIFSYPQ-UHFFFAOYSA-N 1 1 304.459 3.463 20 10 DGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2c(C3CCC3)cnn2C)cc1 ZINC000824474826 628663956 /nfs/dbraw/zinc/66/39/56/628663956.db2.gz UIFJSYWHZXCXEB-UHFFFAOYSA-N 1 1 312.461 3.386 20 10 DGCDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC000824593970 628675439 /nfs/dbraw/zinc/67/54/39/628675439.db2.gz WKPLFHUXICDAEC-GFCCVEGCSA-N 1 1 321.808 3.425 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1F ZINC000824715098 628686565 /nfs/dbraw/zinc/68/65/65/628686565.db2.gz HQNLEOBRZORQCM-LESCRADOSA-N 1 1 306.425 3.017 20 10 DGCDMO CCC[N@@H+](Cc1ccc(Br)cc1O)CC(C)(C)O ZINC000824714902 628686589 /nfs/dbraw/zinc/68/65/89/628686589.db2.gz WMNHXEXCOKCYML-UHFFFAOYSA-N 1 1 316.239 3.138 20 10 DGCDMO COc1cc(C[N@@H+](CCCCO)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000824801665 628695411 /nfs/dbraw/zinc/69/54/11/628695411.db2.gz DQGZLIQDZIJVTG-UHFFFAOYSA-N 1 1 321.461 3.435 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)CC1(C)C ZINC000824820212 628697667 /nfs/dbraw/zinc/69/76/67/628697667.db2.gz BNQCTBSUTDALPC-ZDUSSCGKSA-N 1 1 301.789 3.432 20 10 DGCDMO CO[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1(C)C ZINC000824820212 628697670 /nfs/dbraw/zinc/69/76/70/628697670.db2.gz BNQCTBSUTDALPC-ZDUSSCGKSA-N 1 1 301.789 3.432 20 10 DGCDMO OC[C@H]([C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1)C1CC1 ZINC000824844792 628699230 /nfs/dbraw/zinc/69/92/30/628699230.db2.gz CTYJYECXPKGJCG-LRDDRELGSA-N 1 1 313.800 3.071 20 10 DGCDMO COc1cc(O)c(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1OC ZINC000824941591 628709521 /nfs/dbraw/zinc/70/95/21/628709521.db2.gz PVIOLQCYPLBGTG-RDTXWAMCSA-N 1 1 303.402 3.030 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000824940916 628709566 /nfs/dbraw/zinc/70/95/66/628709566.db2.gz FQKSRBFYTKDPEL-VQTJNVASSA-N 1 1 312.457 3.144 20 10 DGCDMO C[C@H]1CN(Cc2ccccc2)CC[N@@H+](Cc2ccccc2O)C1 ZINC000824976529 628712457 /nfs/dbraw/zinc/71/24/57/628712457.db2.gz BVQQDCLIJLVWDL-KRWDZBQOSA-N 1 1 310.441 3.346 20 10 DGCDMO C[C@@H]1CN(Cc2ccccc2O)CC[N@H+](Cc2ccccc2)C1 ZINC000824976529 628712459 /nfs/dbraw/zinc/71/24/59/628712459.db2.gz BVQQDCLIJLVWDL-KRWDZBQOSA-N 1 1 310.441 3.346 20 10 DGCDMO C[C@@H]1CN(Cc2ccccc2O)CC[N@@H+](Cc2ccccc2)C1 ZINC000824976529 628712460 /nfs/dbraw/zinc/71/24/60/628712460.db2.gz BVQQDCLIJLVWDL-KRWDZBQOSA-N 1 1 310.441 3.346 20 10 DGCDMO CCOCc1cc(C[NH2+][C@@H](C)c2nccn2CC)ccc1OC ZINC000825005380 628715516 /nfs/dbraw/zinc/71/55/16/628715516.db2.gz JBTYJUULPZEYOH-AWEZNQCLSA-N 1 1 317.433 3.299 20 10 DGCDMO CCCc1ncc(C[NH2+]Cc2ccc(OC)c(COCC)c2)o1 ZINC000825084994 628725555 /nfs/dbraw/zinc/72/55/55/628725555.db2.gz ICFOFUWVSUTREI-UHFFFAOYSA-N 1 1 318.417 3.462 20 10 DGCDMO CCOc1ccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c(O)c1 ZINC000825104177 628727845 /nfs/dbraw/zinc/72/78/45/628727845.db2.gz QEQXVQFTPDDVNC-DLBZAZTESA-N 1 1 305.418 3.180 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1c1ccco1)OCO2 ZINC000825104035 628728237 /nfs/dbraw/zinc/72/82/37/628728237.db2.gz LATTWRMOVYPXPY-QGZVFWFLSA-N 1 1 313.353 3.441 20 10 DGCDMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@H]1c1ccco1)OCO2 ZINC000825104035 628728242 /nfs/dbraw/zinc/72/82/42/628728242.db2.gz LATTWRMOVYPXPY-QGZVFWFLSA-N 1 1 313.353 3.441 20 10 DGCDMO CCOCc1cc(CNC(C)(C)C[NH+]2CCCC2)ccc1OC ZINC000825325662 628749824 /nfs/dbraw/zinc/74/98/24/628749824.db2.gz GQJLVKAYABROKO-UHFFFAOYSA-N 1 1 320.477 3.196 20 10 DGCDMO OCCC[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000825338870 628751543 /nfs/dbraw/zinc/75/15/43/628751543.db2.gz WKMUTYZXXSBYRM-QGZVFWFLSA-N 1 1 302.462 3.271 20 10 DGCDMO COc1cc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c(O)c(C(C)(C)C)c1 ZINC000825451664 628763234 /nfs/dbraw/zinc/76/32/34/628763234.db2.gz XGIRRIBGBIMQRU-KGLIPLIRSA-N 1 1 321.461 3.291 20 10 DGCDMO COc1cc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC000825629025 628778873 /nfs/dbraw/zinc/77/88/73/628778873.db2.gz PLQPFXFPJQYLAX-MRXNPFEDSA-N 1 1 321.461 3.291 20 10 DGCDMO Cc1cc(O)c(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000826016379 628820297 /nfs/dbraw/zinc/82/02/97/628820297.db2.gz IMOMJDUYBQRFGW-KRWDZBQOSA-N 1 1 308.853 3.272 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1Cl ZINC000826023917 628820982 /nfs/dbraw/zinc/82/09/82/628820982.db2.gz KZFNRBWYERPTQD-SJORKVTESA-N 1 1 307.821 3.497 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1Cl ZINC000826023917 628820984 /nfs/dbraw/zinc/82/09/84/628820984.db2.gz KZFNRBWYERPTQD-SJORKVTESA-N 1 1 307.821 3.497 20 10 DGCDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 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[O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125280 630616671 /nfs/dbraw/zinc/61/66/71/630616671.db2.gz QRYGGMYOOSYJNT-NWDGAFQWSA-N 1 1 312.816 3.006 20 10 DGCDMO CC[NH2+]CC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000843352576 630648889 /nfs/dbraw/zinc/64/88/89/630648889.db2.gz NVRPGNDOJWAQQV-UHFFFAOYSA-N 1 1 324.852 3.070 20 10 DGCDMO C[C@H]1CC[N@@H+](Cc2ccccc2O)C[C@@H]1C(=O)OC(C)(C)C ZINC000843414538 630653550 /nfs/dbraw/zinc/65/35/50/630653550.db2.gz HXFCHFJBMMHOAT-ZFWWWQNUSA-N 1 1 305.418 3.192 20 10 DGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c(O)c1 ZINC000843417079 630654246 /nfs/dbraw/zinc/65/42/46/630654246.db2.gz OWYDAMCQMQWXSM-NVXWUHKLSA-N 1 1 305.418 3.182 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000843418438 630654898 /nfs/dbraw/zinc/65/48/98/630654898.db2.gz SWLXVZVCBSZZTG-SFHVURJKSA-N 1 1 320.502 3.241 20 10 DGCDMO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@@H]1CCC(=O)N1 ZINC000844312065 630718185 /nfs/dbraw/zinc/71/81/85/630718185.db2.gz CDVJBKZDACZTJG-YJBOKZPZSA-N 1 1 324.424 3.234 20 10 DGCDMO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000844378717 630723019 /nfs/dbraw/zinc/72/30/19/630723019.db2.gz LUZQAJNOBXRZQM-ZUZCIYMTSA-N 1 1 313.825 3.135 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CNc2ccccc2C1 ZINC000844904565 630973236 /nfs/dbraw/zinc/97/32/36/630973236.db2.gz CQGOJIQRQZOOCR-LLVKDONJSA-N 1 1 306.768 3.311 20 10 DGCDMO COc1cccc([C@H](C)[NH2+][C@@H](CO)c2c(F)cccc2F)c1O ZINC000846151696 631212322 /nfs/dbraw/zinc/21/23/22/631212322.db2.gz DWNKRUIXENPILP-HZMBPMFUSA-N 1 1 323.339 3.063 20 10 DGCDMO COc1cccc([C@H](C)[NH2+]Cc2csc([C@@H](C)OC)n2)c1O ZINC000846148827 631212407 /nfs/dbraw/zinc/21/24/07/631212407.db2.gz HWLXGEDIUQTXDC-WDEREUQCSA-N 1 1 322.430 3.416 20 10 DGCDMO CN(C)c1ccc(C[N@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)cc1 ZINC000846932760 631358118 /nfs/dbraw/zinc/35/81/18/631358118.db2.gz TWBRRIMOWLPDPJ-GOSISDBHSA-N 1 1 312.461 3.112 20 10 DGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000848498410 631671268 /nfs/dbraw/zinc/67/12/68/631671268.db2.gz SCFCPINAWCLTAD-MRXNPFEDSA-N 1 1 312.413 3.474 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1F ZINC000848527858 631679088 /nfs/dbraw/zinc/67/90/88/631679088.db2.gz GJDAYZQYLSRHIR-MRXNPFEDSA-N 1 1 316.424 3.493 20 10 DGCDMO CCc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000848885306 631770256 /nfs/dbraw/zinc/77/02/56/631770256.db2.gz SOJNEBKXEKSFQO-ZDUSSCGKSA-N 1 1 322.449 3.300 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000848907007 631781763 /nfs/dbraw/zinc/78/17/63/631781763.db2.gz GLLITNPLFQMZNB-UKRRQHHQSA-N 1 1 317.351 3.090 20 10 DGCDMO CCc1cccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000848911239 631782609 /nfs/dbraw/zinc/78/26/09/631782609.db2.gz SFVJTOKZULGKIV-OAHLLOKOSA-N 1 1 317.351 3.234 20 10 DGCDMO CCc1cccc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000848916526 631784945 /nfs/dbraw/zinc/78/49/45/631784945.db2.gz WIFWFXLGNZRWHT-UHFFFAOYSA-N 1 1 324.424 3.218 20 10 DGCDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)c2ncnn21 ZINC000850352412 632122953 /nfs/dbraw/zinc/12/29/53/632122953.db2.gz VAQXDODHEZLJAM-WMLDXEAASA-N 1 1 311.433 3.064 20 10 DGCDMO CN(C)c1ccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000850381760 632134016 /nfs/dbraw/zinc/13/40/16/632134016.db2.gz JCOOQLDSTKIVFJ-KRWDZBQOSA-N 1 1 301.478 3.249 20 10 DGCDMO CN(C)c1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)cc1 ZINC000850381760 632134017 /nfs/dbraw/zinc/13/40/17/632134017.db2.gz JCOOQLDSTKIVFJ-KRWDZBQOSA-N 1 1 301.478 3.249 20 10 DGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ncnc32)c1O ZINC000850499205 632172272 /nfs/dbraw/zinc/17/22/72/632172272.db2.gz LFQTULAYMMKGOZ-OUJBWJOFSA-N 1 1 306.797 3.302 20 10 DGCDMO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(F)cc1O ZINC000850500667 632172588 /nfs/dbraw/zinc/17/25/88/632172588.db2.gz GEFDUHNTRAYYPY-HNGAVHBYSA-N 1 1 313.438 3.262 20 10 DGCDMO CO[C@@H](C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C)[C@@H]1CCOC1 ZINC000851732051 632478295 /nfs/dbraw/zinc/47/82/95/632478295.db2.gz HZOMSLWGGLHQIQ-MJGOQNOKSA-N 1 1 320.477 3.015 20 10 DGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000852017972 632540644 /nfs/dbraw/zinc/54/06/44/632540644.db2.gz IGAGRPNJRWPKLW-SJLPKXTDSA-N 1 1 307.434 3.046 20 10 DGCDMO C[C@H](c1ccsc1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000184972212 660196779 /nfs/dbraw/zinc/19/67/79/660196779.db2.gz GILWMCNODJYKED-CYBMUJFWSA-N 1 1 320.433 3.472 20 10 DGCDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185350584 660217484 /nfs/dbraw/zinc/21/74/84/660217484.db2.gz YXQFBZDFCINDKU-SNVBAGLBSA-N 1 1 320.320 3.299 20 10 DGCDMO C[C@H]([NH2+]CCCOCC1CCOCC1)c1ccc(F)cc1O ZINC000185520136 660227048 /nfs/dbraw/zinc/22/70/48/660227048.db2.gz VAJMMXZUZPXXCL-ZDUSSCGKSA-N 1 1 311.397 3.015 20 10 DGCDMO C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccc(F)cc1O ZINC000185647348 660235285 /nfs/dbraw/zinc/23/52/85/660235285.db2.gz LGOPBMSLGVAHHA-ZDUSSCGKSA-N 1 1 320.383 3.453 20 10 DGCDMO C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(F)cc1O ZINC000186094704 660266151 /nfs/dbraw/zinc/26/61/51/660266151.db2.gz YBUVGPXLCIWQDP-WIUDPPPLSA-N 1 1 307.390 3.120 20 10 DGCDMO C[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1ccc(F)cc1O ZINC000186230478 660350793 /nfs/dbraw/zinc/35/07/93/660350793.db2.gz PPHNPOOGVAFVOZ-OCCSQVGLSA-N 1 1 309.381 3.258 20 10 DGCDMO C[C@H]1COC(C)(C)C[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000792727212 660981551 /nfs/dbraw/zinc/98/15/51/660981551.db2.gz KBNQFEUGOVDYGD-LBPRGKRZSA-N 1 1 307.434 3.395 20 10 DGCDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2cnccc2C)c1O ZINC000793341410 661025612 /nfs/dbraw/zinc/02/56/12/661025612.db2.gz UAOACNIFAPTGLI-UHFFFAOYSA-N 1 1 306.793 3.390 20 10 DGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1C(C)C ZINC000793743189 661055272 /nfs/dbraw/zinc/05/52/72/661055272.db2.gz HTTUDJNKGCXELA-IBGZPJMESA-N 1 1 302.462 3.352 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1C(C)C ZINC000793743189 661055274 /nfs/dbraw/zinc/05/52/74/661055274.db2.gz HTTUDJNKGCXELA-IBGZPJMESA-N 1 1 302.462 3.352 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1O ZINC000793778175 661056924 /nfs/dbraw/zinc/05/69/24/661056924.db2.gz BEUNDUWFNMQVLO-AWEZNQCLSA-N 1 1 313.397 3.492 20 10 DGCDMO CCn1ncnc1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000794840475 661108801 /nfs/dbraw/zinc/10/88/01/661108801.db2.gz IQEREKRZYNIECR-HNNXBMFYSA-N 1 1 313.449 3.139 20 10 DGCDMO CCOC1CC2(C1)CC[N@@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000795720056 661169494 /nfs/dbraw/zinc/16/94/94/661169494.db2.gz IDTCLQHSUPAZHF-UHFFFAOYSA-N 1 1 312.413 3.331 20 10 DGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000795715717 661169617 /nfs/dbraw/zinc/16/96/17/661169617.db2.gz DWVILKPXIDRVPU-HNNXBMFYSA-N 1 1 317.351 3.288 20 10 DGCDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000050901700 655685580 /nfs/dbraw/zinc/68/55/80/655685580.db2.gz GASNNCHKVCAWAH-MRXNPFEDSA-N 1 1 318.461 3.137 20 10 DGCDMO COC[C@@H]1C[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C[C@H](C)O1 ZINC000190219193 656159437 /nfs/dbraw/zinc/15/94/37/656159437.db2.gz MQJZEDXUZGUWAE-HOCLYGCPSA-N 1 1 307.434 3.060 20 10 DGCDMO CC[C@@]1(C)C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000190328973 656160339 /nfs/dbraw/zinc/16/03/39/656160339.db2.gz WMVJUJOUTKIRLH-SFHVURJKSA-N 1 1 307.434 3.396 20 10 DGCDMO CC[N@H+]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000320628087 657389414 /nfs/dbraw/zinc/38/94/14/657389414.db2.gz BCSMDBIJVMSHIL-GFCCVEGCSA-N 1 1 324.852 3.164 20 10 DGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(C#N)cc1 ZINC000305056790 657670104 /nfs/dbraw/zinc/67/01/04/657670104.db2.gz CUMYGJFMKFCUIZ-LJQANCHMSA-N 1 1 310.397 3.209 20 10 DGCDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000305789651 657735020 /nfs/dbraw/zinc/73/50/20/657735020.db2.gz SZIKYBFHKSAQKE-KRWDZBQOSA-N 1 1 315.413 3.174 20 10 DGCDMO C[C@@H]1CCC[C@@](CNCc2ccc3c(c2)CCO3)([NH+](C)C)C1 ZINC000237513206 658774813 /nfs/dbraw/zinc/77/48/13/658774813.db2.gz MZGNJJGDOXKLQM-DNVCBOLYSA-N 1 1 302.462 3.222 20 10 DGCDMO Nc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000323776930 658882528 /nfs/dbraw/zinc/88/25/28/658882528.db2.gz BVOYVBLDOQNOLL-UHFFFAOYSA-N 1 1 324.428 3.009 20 10 DGCDMO CC[C@@H]1COCC[N@@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164359458 658929780 /nfs/dbraw/zinc/92/97/80/658929780.db2.gz UERIYNFNYOZCMI-CQSZACIVSA-N 1 1 307.434 3.309 20 10 DGCDMO CC[C@@H]1COCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164359458 658929782 /nfs/dbraw/zinc/92/97/82/658929782.db2.gz UERIYNFNYOZCMI-CQSZACIVSA-N 1 1 307.434 3.309 20 10 DGCDMO COC[C@@H]1CCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164456408 658935062 /nfs/dbraw/zinc/93/50/62/658935062.db2.gz DDQBOULONFFTQM-AWEZNQCLSA-N 1 1 307.434 3.309 20 10 DGCDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000173479550 659388080 /nfs/dbraw/zinc/38/80/80/659388080.db2.gz LRBGLUOBMIZUPY-MRXNPFEDSA-N 1 1 311.429 3.111 20 10 DGCDMO Cc1ccc(O)c(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)c1 ZINC000180114774 659952689 /nfs/dbraw/zinc/95/26/89/659952689.db2.gz VNIWUMWHEFILIN-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO Cc1ccc(O)c(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)c1 ZINC000180114774 659952690 /nfs/dbraw/zinc/95/26/90/659952690.db2.gz VNIWUMWHEFILIN-UHFFFAOYSA-N 1 1 318.804 3.425 20 10 DGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(OC)ccc1O ZINC000183444031 660114249 /nfs/dbraw/zinc/11/42/49/660114249.db2.gz JTSUMYASODOQDO-UHFFFAOYSA-N 1 1 314.429 3.489 20 10 DGCDMO Cc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c(C)nn1 ZINC000929293963 661294841 /nfs/dbraw/zinc/29/48/41/661294841.db2.gz AQQPGCSWSXWHMJ-UHFFFAOYSA-N 1 1 310.445 3.324 20 10 DGCDMO CCO[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000155447500 661847109 /nfs/dbraw/zinc/84/71/09/661847109.db2.gz BRJYBWPTCLPVAT-LBPRGKRZSA-N 1 1 314.223 3.156 20 10 DGCDMO CCO[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000155447500 661847112 /nfs/dbraw/zinc/84/71/12/661847112.db2.gz BRJYBWPTCLPVAT-LBPRGKRZSA-N 1 1 314.223 3.156 20 10 DGCDMO Oc1cc2c(cc1C[N@@H+](C[C@H]1CCOC1)C1CC1)CCCC2 ZINC000159831302 661896070 /nfs/dbraw/zinc/89/60/70/661896070.db2.gz FIADSWTXOYEABR-CQSZACIVSA-N 1 1 301.430 3.272 20 10 DGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCCCO2)c1O ZINC000048949091 661897660 /nfs/dbraw/zinc/89/76/60/661897660.db2.gz YZGOBBYNKBZSSV-AWEZNQCLSA-N 1 1 311.809 3.249 20 10 DGCDMO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000191573339 662072731 /nfs/dbraw/zinc/07/27/31/662072731.db2.gz ZHBRARDJTKXZJG-CJNGLKHVSA-N 1 1 303.377 3.094 20 10 DGCDMO C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000192689083 662108291 /nfs/dbraw/zinc/10/82/91/662108291.db2.gz IAXFMPLXHXSMSP-WDEREUQCSA-N 1 1 312.385 3.095 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@H](C(F)F)C3)c2c1 ZINC000193441961 662134087 /nfs/dbraw/zinc/13/40/87/662134087.db2.gz UMWKRCOIKNCXCU-INIZCTEOSA-N 1 1 323.339 3.020 20 10 DGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@H](C(F)F)C3)c2c1 ZINC000193441961 662134089 /nfs/dbraw/zinc/13/40/89/662134089.db2.gz UMWKRCOIKNCXCU-INIZCTEOSA-N 1 1 323.339 3.020 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)cc1 ZINC000246028671 662246221 /nfs/dbraw/zinc/24/62/21/662246221.db2.gz ABJHBJQANGVAIB-LPHOPBHVSA-N 1 1 303.494 3.353 20 10 DGCDMO COc1cccc(C[N@@H+](C)CCCOc2ccccc2)c1O ZINC000091899455 662324688 /nfs/dbraw/zinc/32/46/88/662324688.db2.gz VXNAAKYBCVGSSE-UHFFFAOYSA-N 1 1 301.386 3.302 20 10 DGCDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092073520 662327429 /nfs/dbraw/zinc/32/74/29/662327429.db2.gz GRIIZLRZZOMALO-INIZCTEOSA-N 1 1 318.461 3.308 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000092485593 662332108 /nfs/dbraw/zinc/33/21/08/662332108.db2.gz GQXMMVGSWMXUHF-HKUYNNGSSA-N 1 1 300.446 3.288 20 10 DGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C(C1CC1)C1CC1 ZINC000092704029 662334245 /nfs/dbraw/zinc/33/42/45/662334245.db2.gz XGZOUGVEVVJIDT-UHFFFAOYSA-N 1 1 300.446 3.144 20 10 DGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000092709639 662334448 /nfs/dbraw/zinc/33/44/48/662334448.db2.gz FFHMLZDVEFRYHE-HKUYNNGSSA-N 1 1 300.446 3.288 20 10 DGCDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](N3CCCC3)C2)cc1 ZINC000092757360 662335180 /nfs/dbraw/zinc/33/51/80/662335180.db2.gz VKTZLTMSJKFQQL-IBGZPJMESA-N 1 1 301.478 3.203 20 10 DGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](N3CCCC3)C2)cc1 ZINC000092757360 662335182 /nfs/dbraw/zinc/33/51/82/662335182.db2.gz VKTZLTMSJKFQQL-IBGZPJMESA-N 1 1 301.478 3.203 20 10 DGCDMO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000248518044 662351360 /nfs/dbraw/zinc/35/13/60/662351360.db2.gz POFYIRWCXUABBK-HZSPNIEDSA-N 1 1 324.440 3.070 20 10 DGCDMO COc1ccc(O)c([C@@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000248531605 662351720 /nfs/dbraw/zinc/35/17/20/662351720.db2.gz PBBMCDCJHNLBLE-LSDHHAIUSA-N 1 1 306.450 3.316 20 10 DGCDMO COc1ccc(O)c([C@@H](C)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000248531605 662351723 /nfs/dbraw/zinc/35/17/23/662351723.db2.gz PBBMCDCJHNLBLE-LSDHHAIUSA-N 1 1 306.450 3.316 20 10 DGCDMO Oc1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@H]1CCC=CO1 ZINC000248741483 662358126 /nfs/dbraw/zinc/35/81/26/662358126.db2.gz AENZKKSRNXWOJH-IAGOWNOFSA-N 1 1 303.402 3.066 20 10 DGCDMO CCOC(=O)C1([N@@H+](C)Cc2cccc(OC)c2O)CCCCC1 ZINC000093695004 662358769 /nfs/dbraw/zinc/35/87/69/662358769.db2.gz QPQQCBYOFDIJOK-UHFFFAOYSA-N 1 1 321.417 3.099 20 10 DGCDMO CCOc1cccc(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)c1O ZINC000093692519 662358775 /nfs/dbraw/zinc/35/87/75/662358775.db2.gz UFKMCRGSUAHLHD-UHFFFAOYSA-N 1 1 323.433 3.343 20 10 DGCDMO CCOc1cccc(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)c1O ZINC000093692519 662358778 /nfs/dbraw/zinc/35/87/78/662358778.db2.gz UFKMCRGSUAHLHD-UHFFFAOYSA-N 1 1 323.433 3.343 20 10 DGCDMO CCN(CC)c1ccc(C[NH2+][C@H](CN)C2CCCC2)cc1F ZINC001577699754 1191913011 /nfs/dbraw/zinc/91/30/11/1191913011.db2.gz XAAWBVWGGOZCQD-QGZVFWFLSA-N 1 1 307.457 3.279 20 10 DGCDMO COc1cc(CNCCC[NH2+]C(C)C)c(O)c(C(C)(C)C)c1 ZINC001579153024 1191967950 /nfs/dbraw/zinc/96/79/50/1191967950.db2.gz OWOKHCXUQOMGAK-UHFFFAOYSA-N 1 1 308.466 3.176 20 10 DGCDMO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001620812735 1192107309 /nfs/dbraw/zinc/10/73/09/1192107309.db2.gz QUDHYHBSMWROIW-IAGOWNOFSA-N 1 1 303.494 3.353 20 10 DGCDMO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001621003732 1192779469 /nfs/dbraw/zinc/77/94/69/1192779469.db2.gz VNCDDWKYFCKVAW-INIZCTEOSA-N 1 1 303.494 3.353 20 10 DGCDMO CC[N@@H+](Cc1ccc(N)cc1)Cc1ccc(OC)cc1OC ZINC001334774781 1178794975 /nfs/dbraw/zinc/79/49/75/1178794975.db2.gz NUYJIECKPSIPST-UHFFFAOYSA-N 1 1 300.402 3.308 20 10 DGCDMO CCOC(=O)C[N@H+](CCCC(F)(F)F)Cc1ccccc1O ZINC001335500740 1178921865 /nfs/dbraw/zinc/92/18/65/1178921865.db2.gz UAPOFKZNAWDASF-UHFFFAOYSA-N 1 1 319.323 3.100 20 10 DGCDMO CCOC(=O)C[N@@H+](CCCC(F)(F)F)Cc1ccccc1O ZINC001335500740 1178921871 /nfs/dbraw/zinc/92/18/71/1178921871.db2.gz UAPOFKZNAWDASF-UHFFFAOYSA-N 1 1 319.323 3.100 20 10 DGCDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343027124 1179225593 /nfs/dbraw/zinc/22/55/93/1179225593.db2.gz LEUFFVALZCSIRI-OAHLLOKOSA-N 1 1 317.477 3.022 20 10 DGCDMO Cc1ccc(C)c(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c1 ZINC001621048087 1192960693 /nfs/dbraw/zinc/96/06/93/1192960693.db2.gz SUYBDBOSIWFYOG-UHFFFAOYSA-N 1 1 323.484 3.345 20 10 DGCDMO Cc1cc(C[NH2+]Cc2cc(C)cc(Br)c2O)on1 ZINC001200244659 1180480157 /nfs/dbraw/zinc/48/01/57/1180480157.db2.gz WFMAHTYJXZUJNS-UHFFFAOYSA-N 1 1 311.179 3.049 20 10 DGCDMO Nc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC001356083631 1181138943 /nfs/dbraw/zinc/13/89/43/1181138943.db2.gz WDQSPBQNEHCUQT-SFHVURJKSA-N 1 1 301.478 3.357 20 10 DGCDMO Nc1ccc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC001356083631 1181138948 /nfs/dbraw/zinc/13/89/48/1181138948.db2.gz WDQSPBQNEHCUQT-SFHVURJKSA-N 1 1 301.478 3.357 20 10 DGCDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)C12CCC2 ZINC001460103642 1182652971 /nfs/dbraw/zinc/65/29/71/1182652971.db2.gz FRIPWGHJKNUEMS-ZWKOTPCHSA-N 1 1 302.462 3.450 20 10 DGCDMO CCN(C)c1ccc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)cc1 ZINC001460276855 1182672027 /nfs/dbraw/zinc/67/20/27/1182672027.db2.gz FJWYSIGLDVNGBR-HXUWFJFHSA-N 1 1 312.457 3.482 20 10 DGCDMO CCC1(CC)CCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001460726499 1182713406 /nfs/dbraw/zinc/71/34/06/1182713406.db2.gz LOSRMLJHBKTBAT-UHFFFAOYSA-N 1 1 317.477 3.023 20 10 DGCDMO Oc1c(F)cc(F)cc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC001461866872 1182867878 /nfs/dbraw/zinc/86/78/78/1182867878.db2.gz CDJIRAOSXVIHAF-OAHLLOKOSA-N 1 1 310.388 3.121 20 10 DGCDMO CC[N@@H+]1C[C@H](C)N(Cc2cc(Cl)c(F)cc2O)C[C@@H]1C ZINC001461936691 1182880106 /nfs/dbraw/zinc/88/01/06/1182880106.db2.gz KDQJLQLMOZYVBQ-QWRGUYRKSA-N 1 1 300.805 3.099 20 10 DGCDMO CC[N@H+]1C[C@H](C)N(Cc2cc(Cl)c(F)cc2O)C[C@@H]1C ZINC001461936691 1182880114 /nfs/dbraw/zinc/88/01/14/1182880114.db2.gz KDQJLQLMOZYVBQ-QWRGUYRKSA-N 1 1 300.805 3.099 20 10 DGCDMO C[C@@H]1SCC[N@@H+](Cc2ccc(Br)cc2O)[C@H]1C ZINC001461965098 1182887991 /nfs/dbraw/zinc/88/79/91/1182887991.db2.gz ZBEJUZBBDFDRIP-UWVGGRQHSA-N 1 1 316.264 3.481 20 10 DGCDMO CCc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC001462009745 1182896021 /nfs/dbraw/zinc/89/60/21/1182896021.db2.gz PRXJYFSOVHAGQQ-UHFFFAOYSA-N 1 1 320.433 3.007 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@]3(CCO[C@H]3C)C2)c1 ZINC001462179273 1182918754 /nfs/dbraw/zinc/91/87/54/1182918754.db2.gz NACHXLOEFQMLTE-ZRGWGRIASA-N 1 1 319.445 3.284 20 10 DGCDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1 ZINC001462179259 1182919234 /nfs/dbraw/zinc/91/92/34/1182919234.db2.gz NACHXLOEFQMLTE-CLCXKQKWSA-N 1 1 319.445 3.284 20 10 DGCDMO CCC1CCC([N@H+](CCO)Cc2cc(F)c(F)cc2O)CC1 ZINC001462183595 1182920684 /nfs/dbraw/zinc/92/06/84/1182920684.db2.gz KXBAYQDIFHYVBR-UHFFFAOYSA-N 1 1 313.388 3.434 20 10 DGCDMO CCC1CCC([N@@H+](CCO)Cc2cc(F)c(F)cc2O)CC1 ZINC001462183595 1182920689 /nfs/dbraw/zinc/92/06/89/1182920689.db2.gz KXBAYQDIFHYVBR-UHFFFAOYSA-N 1 1 313.388 3.434 20 10 DGCDMO COc1cc(C)c(C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)c(O)c1 ZINC001462252386 1182929007 /nfs/dbraw/zinc/92/90/07/1182929007.db2.gz VGNKDRVEIKTTEE-IRXDYDNUSA-N 1 1 305.418 3.099 20 10 DGCDMO Oc1ccc([C@@H]2CC[N@H+](Cc3cc(F)c(F)cc3O)C2)cc1 ZINC001462485462 1182959879 /nfs/dbraw/zinc/95/98/79/1182959879.db2.gz ZVPLRXICADQQIB-GFCCVEGCSA-N 1 1 305.324 3.366 20 10 DGCDMO Oc1ccc([C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3O)C2)cc1 ZINC001462485462 1182959882 /nfs/dbraw/zinc/95/98/82/1182959882.db2.gz ZVPLRXICADQQIB-GFCCVEGCSA-N 1 1 305.324 3.366 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC001462521131 1182963840 /nfs/dbraw/zinc/96/38/40/1182963840.db2.gz HWZALVIRWUQRAZ-UWVGGRQHSA-N 1 1 301.814 3.370 20 10 DGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC001462521131 1182963846 /nfs/dbraw/zinc/96/38/46/1182963846.db2.gz HWZALVIRWUQRAZ-UWVGGRQHSA-N 1 1 301.814 3.370 20 10 DGCDMO Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1[nH+]cnc2[nH]ccc21 ZINC001472808265 1183684388 /nfs/dbraw/zinc/68/43/88/1183684388.db2.gz MLCWBYFULICRQQ-CYBMUJFWSA-N 1 1 309.417 3.375 20 10 DGCDMO Cc1cc(O)c(C[NH2+]Cc2cn3ccccc3n2)c(Cl)c1 ZINC001473916134 1183827312 /nfs/dbraw/zinc/82/73/12/1183827312.db2.gz BHFXSEGPJYJSSP-UHFFFAOYSA-N 1 1 301.777 3.292 20 10 DGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc(NC(N)=O)cc1 ZINC001473996497 1183847086 /nfs/dbraw/zinc/84/70/86/1183847086.db2.gz VUYGBCFUWWQUOR-VIFPVBQESA-N 1 1 321.327 3.012 20 10 DGCDMO CO[C@@H](C)C[N@@H+](Cc1cc(F)c(N(C)C)cc1F)C(C)C ZINC001474316950 1183903952 /nfs/dbraw/zinc/90/39/52/1183903952.db2.gz GWYMCRUDRXZCJW-LBPRGKRZSA-N 1 1 300.393 3.276 20 10 DGCDMO COc1cc(C)c(C[N@@H+](C)[C@H](CCO)c2ccccc2)c(O)c1 ZINC001474326050 1183905024 /nfs/dbraw/zinc/90/50/24/1183905024.db2.gz SZKCYMCESWTWPZ-GOSISDBHSA-N 1 1 315.413 3.265 20 10 DGCDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001474330737 1183905048 /nfs/dbraw/zinc/90/50/48/1183905048.db2.gz FJFWKWFHZSQAIU-OAHLLOKOSA-N 1 1 307.344 3.049 20 10 DGCDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001474330737 1183905049 /nfs/dbraw/zinc/90/50/49/1183905049.db2.gz FJFWKWFHZSQAIU-OAHLLOKOSA-N 1 1 307.344 3.049 20 10 DGCDMO Cc1cc(O)c(C[N@H+]2CCc3ccccc3[C@@H]2CO)cc1Cl ZINC001474328774 1183905101 /nfs/dbraw/zinc/90/51/01/1183905101.db2.gz RJZTVNBSZJZONH-KRWDZBQOSA-N 1 1 317.816 3.446 20 10 DGCDMO COc1c(O)c(C[N@@H+]2C[C@@H](C(C)C)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001474521473 1183934658 /nfs/dbraw/zinc/93/46/58/1183934658.db2.gz MJBWEGSUOYQMRD-ZFWWWQNUSA-N 1 1 322.405 3.421 20 10 DGCDMO COc1c(O)c(C[N@H+]2C[C@@H](C(C)C)[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC001474521473 1183934662 /nfs/dbraw/zinc/93/46/62/1183934662.db2.gz MJBWEGSUOYQMRD-ZFWWWQNUSA-N 1 1 322.405 3.421 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1O ZINC001474646708 1183954758 /nfs/dbraw/zinc/95/47/58/1183954758.db2.gz GXJRFZXUFBHQEA-WBVHZDCISA-N 1 1 320.477 3.261 20 10 DGCDMO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2[C@H](C)CN(C)C)c1O ZINC001474646708 1183954761 /nfs/dbraw/zinc/95/47/61/1183954761.db2.gz GXJRFZXUFBHQEA-WBVHZDCISA-N 1 1 320.477 3.261 20 10 DGCDMO COc1cc(C)cc(C[N@H+]2CCCC[C@H]2[C@H](C)CN(C)C)c1O ZINC001474646708 1183954764 /nfs/dbraw/zinc/95/47/64/1183954764.db2.gz GXJRFZXUFBHQEA-WBVHZDCISA-N 1 1 320.477 3.261 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC001474671115 1183958463 /nfs/dbraw/zinc/95/84/63/1183958463.db2.gz RLVLCDJSDFUKFI-GXSJLCMTSA-N 1 1 301.814 3.370 20 10 DGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC001474671115 1183958466 /nfs/dbraw/zinc/95/84/66/1183958466.db2.gz RLVLCDJSDFUKFI-GXSJLCMTSA-N 1 1 301.814 3.370 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC001474692664 1183963731 /nfs/dbraw/zinc/96/37/31/1183963731.db2.gz ANAWLFUNTIXJJO-LBPRGKRZSA-N 1 1 309.715 3.199 20 10 DGCDMO Oc1cc(Cl)ccc1C[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC001474692664 1183963734 /nfs/dbraw/zinc/96/37/34/1183963734.db2.gz ANAWLFUNTIXJJO-LBPRGKRZSA-N 1 1 309.715 3.199 20 10 DGCDMO COc1cc(C)c(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c(O)c1 ZINC001474706170 1183965588 /nfs/dbraw/zinc/96/55/88/1183965588.db2.gz YULXKXUENIWUIJ-CRAIPNDOSA-N 1 1 317.360 3.271 20 10 DGCDMO COc1cc(C)c(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c(O)c1 ZINC001474706172 1183965698 /nfs/dbraw/zinc/96/56/98/1183965698.db2.gz YULXKXUENIWUIJ-QAPCUYQASA-N 1 1 317.360 3.271 20 10 DGCDMO COc1c(O)c(C[NH2+]C[C@H]2C[C@H]2C2CCCC2)ccc1[N+](=O)[O-] ZINC001474755268 1183973949 /nfs/dbraw/zinc/97/39/49/1183973949.db2.gz ISHUAJQLJLPVIX-KGLIPLIRSA-N 1 1 320.389 3.225 20 10 DGCDMO COc1ccc(N(CCC(C)C)CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001559810094 1189244397 /nfs/dbraw/zinc/24/43/97/1189244397.db2.gz YYOBFFWITITUIX-KRWDZBQOSA-N 1 1 320.477 3.268 20 10 DGCDMO COc1ccc(N(CCC(C)C)CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001559810094 1189244400 /nfs/dbraw/zinc/24/44/00/1189244400.db2.gz YYOBFFWITITUIX-KRWDZBQOSA-N 1 1 320.477 3.268 20 10 DGCDMO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)ccc1N1CCCCC1 ZINC001560150206 1189284385 /nfs/dbraw/zinc/28/43/85/1189284385.db2.gz QLLQQYSIZNSTEL-RTBURBONSA-N 1 1 302.462 3.331 20 10 DGCDMO CN1CCN(c2ccc(C[NH2+]CC[C@@H]3CC=CCC3)cc2)CC1 ZINC001560559490 1189340081 /nfs/dbraw/zinc/34/00/81/1189340081.db2.gz ZEWNCMGJMQUIRP-GOSISDBHSA-N 1 1 313.489 3.274 20 10 DGCDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2O)C1 ZINC001560679238 1189359520 /nfs/dbraw/zinc/35/95/20/1189359520.db2.gz GYLQPKSCKBTJSQ-WBVHZDCISA-N 1 1 318.461 3.217 20 10 DGCDMO CC(C)C[N@H+](C/C=C\c1ccc(N(C)C)cc1)CCN(C)C ZINC001560815557 1189385983 /nfs/dbraw/zinc/38/59/83/1189385983.db2.gz FQWHKBKDWQYXFR-FPLPWBNLSA-N 1 1 303.494 3.285 20 10 DGCDMO CC(C)CN(C/C=C\c1ccc(N(C)C)cc1)CC[NH+](C)C ZINC001560815557 1189385989 /nfs/dbraw/zinc/38/59/89/1189385989.db2.gz FQWHKBKDWQYXFR-FPLPWBNLSA-N 1 1 303.494 3.285 20 10 DGCDMO CC(C)C[C@@H](CN1CCCC1)[NH2+]Cc1cc(F)c(F)cc1O ZINC001560844962 1189393341 /nfs/dbraw/zinc/39/33/41/1189393341.db2.gz DGHSHSWMKGUAFS-AWEZNQCLSA-N 1 1 312.404 3.271 20 10 DGCDMO C[N@H+](Cc1ccc(Cl)cc1O)C[C@H](O)Cc1ccccc1 ZINC001560859349 1189394152 /nfs/dbraw/zinc/39/41/52/1189394152.db2.gz IROOVPSGJKLGIJ-MRXNPFEDSA-N 1 1 305.805 3.081 20 10 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