smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNC(=O)C[N@H+](C)Cc1ccc(Br)cc1O ZINC000691679484 744871094 /nfs/dbraw/zinc/87/10/94/744871094.db2.gz SBZJDSPRKNKPPE-UHFFFAOYSA-N 1 1 301.184 1.723 20 10 DDCDMO CCNC(=O)C[N@@H+](C)Cc1ccc(Br)cc1O ZINC000691679484 744871098 /nfs/dbraw/zinc/87/10/98/744871098.db2.gz SBZJDSPRKNKPPE-UHFFFAOYSA-N 1 1 301.184 1.723 20 10 DDCDMO [NH3+]C[C@H]1CN(Cc2cccc(OC(F)(F)F)c2O)C[C@@H]1O ZINC001206530987 743686746 /nfs/dbraw/zinc/68/67/46/743686746.db2.gz YWCGXEFFACLKQD-UWVGGRQHSA-N 1 1 306.284 1.042 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@H+]2C[C@H](CO)[C@H](CCO)C2)cc1 ZINC001184364660 744019812 /nfs/dbraw/zinc/01/98/12/744019812.db2.gz WCOVABXIQDPPKB-MULDZMIYSA-N 1 1 304.434 1.689 20 10 DDCDMO CN(C)c1ccc([C@@H](O)C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3C)cc1 ZINC001272779056 847415661 /nfs/dbraw/zinc/41/56/61/847415661.db2.gz FIKYWJMTUUNWBY-HRCADAONSA-N 1 1 303.406 1.091 20 10 DDCDMO CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001275821541 853818688 /nfs/dbraw/zinc/81/86/88/853818688.db2.gz SUFBSUZMZWXBSH-KBPBESRZSA-N 1 1 319.405 1.864 20 10 DDCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c(O)c1 ZINC001276133333 854811776 /nfs/dbraw/zinc/81/17/76/854811776.db2.gz TWQPUKVPPJJQBR-CALCHBBNSA-N 1 1 319.449 1.753 20 10 DDCDMO CNC(=O)N1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138359602 860074334 /nfs/dbraw/zinc/07/43/34/860074334.db2.gz VLGCCXMCWQBQON-UHFFFAOYSA-N 1 1 302.422 1.526 20 10 DDCDMO CCS(=O)(=O)N1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140184533 860588722 /nfs/dbraw/zinc/58/87/22/860588722.db2.gz YJZJYJNUDOJKJD-UHFFFAOYSA-N 1 1 312.435 1.476 20 10 DDCDMO COC[C@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)Cc2cn(C)nc21 ZINC001140744620 860690392 /nfs/dbraw/zinc/69/03/92/860690392.db2.gz DRQYMQULYJTDHT-CQSZACIVSA-N 1 1 317.389 1.886 20 10 DDCDMO Cc1c(O)ccc(CN2CCN(CCC[NH+](C)C)CC2)c1O ZINC001140749242 860691109 /nfs/dbraw/zinc/69/11/09/860691109.db2.gz SOLHDOHPGZIEEL-UHFFFAOYSA-N 1 1 307.438 1.476 20 10 DDCDMO CCN(CC)c1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c(O)c1 ZINC001140856992 860713931 /nfs/dbraw/zinc/71/39/31/860713931.db2.gz KSHQTOIRCZTPEI-ZDUSSCGKSA-N 1 1 305.422 1.901 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c(O)c1 ZINC001140856992 860713935 /nfs/dbraw/zinc/71/39/35/860713935.db2.gz KSHQTOIRCZTPEI-ZDUSSCGKSA-N 1 1 305.422 1.901 20 10 DDCDMO COc1ccnc(N2CC[NH+](Cc3cc(O)ccc3O)CC2)n1 ZINC001141161789 860799310 /nfs/dbraw/zinc/79/93/10/860799310.db2.gz YHEHULDDMBHZKV-UHFFFAOYSA-N 1 1 316.361 1.219 20 10 DDCDMO CN(C)c1cc(F)c(C[NH2+]CC2(S(C)(=O)=O)CC2)cc1F ZINC001328769044 863210623 /nfs/dbraw/zinc/21/06/23/863210623.db2.gz AAQSWVYTGYRZLV-UHFFFAOYSA-N 1 1 318.389 1.698 20 10 DDCDMO Cc1nnc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1C ZINC001331053749 864808427 /nfs/dbraw/zinc/80/84/27/864808427.db2.gz RTERTRKVLVYWHE-UHFFFAOYSA-N 1 1 315.421 1.374 20 10 DDCDMO COc1ccc(N2CC[NH+](C[C@H]3CN(C)C(=O)O3)CC2)cc1 ZINC001324207918 867142006 /nfs/dbraw/zinc/14/20/06/867142006.db2.gz TVNLSMXVILZDHC-OAHLLOKOSA-N 1 1 305.378 1.268 20 10 DDCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H]1CO ZINC001321703271 867745812 /nfs/dbraw/zinc/74/58/12/867745812.db2.gz WNDLSIHPXLWZQG-KDOFPFPSSA-N 1 1 321.440 1.780 20 10 DDCDMO Cn1c(C2SC=CC2=O)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001338748537 870146638 /nfs/dbraw/zinc/14/66/38/870146638.db2.gz DFBGPCXXWKHGLU-UHFFFAOYSA-N 1 1 307.423 1.780 20 10 DDCDMO Cn1c(C2SC=CC2=O)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001338748537 870146642 /nfs/dbraw/zinc/14/66/42/870146642.db2.gz DFBGPCXXWKHGLU-UHFFFAOYSA-N 1 1 307.423 1.780 20 10 DDCDMO COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccc(OC)cc2O)C1 ZINC001203623181 870679095 /nfs/dbraw/zinc/67/90/95/870679095.db2.gz LTKUINNDVXBPRT-CYBMUJFWSA-N 1 1 317.389 1.876 20 10 DDCDMO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccc(OC)cc2O)C1 ZINC001203623181 870679107 /nfs/dbraw/zinc/67/91/07/870679107.db2.gz LTKUINNDVXBPRT-CYBMUJFWSA-N 1 1 317.389 1.876 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)c1 ZINC001203680617 870708404 /nfs/dbraw/zinc/70/84/04/870708404.db2.gz ALMIAPMRKRFJPQ-CQSZACIVSA-N 1 1 303.362 1.364 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)c1 ZINC001203680617 870708414 /nfs/dbraw/zinc/70/84/14/870708414.db2.gz ALMIAPMRKRFJPQ-CQSZACIVSA-N 1 1 303.362 1.364 20 10 DDCDMO COc1ccc(O)c(C[NH+]2CC(N3C[C@H](C)O[C@@H](C)C3)C2)c1 ZINC001203683991 870711219 /nfs/dbraw/zinc/71/12/19/870711219.db2.gz HVHGXARRVGXQHZ-STQMWFEESA-N 1 1 306.406 1.694 20 10 DDCDMO CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(O)cc2O)O1 ZINC001204274870 871032837 /nfs/dbraw/zinc/03/28/37/871032837.db2.gz VAHFLVFYUBQZLY-BMFZPTHFSA-N 1 1 320.389 1.354 20 10 DDCDMO COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(C[NH3+])s2)c1 ZINC001340341064 871045350 /nfs/dbraw/zinc/04/53/50/871045350.db2.gz RNKBCZBAPWSQKE-MRVPVSSYSA-N 1 1 307.375 1.807 20 10 DDCDMO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205136140 871388889 /nfs/dbraw/zinc/38/88/89/871388889.db2.gz QOSAJWZLUPBQMD-NWDGAFQWSA-N 1 1 302.374 1.834 20 10 DDCDMO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2CN)c(O)c1 ZINC001205855863 871865806 /nfs/dbraw/zinc/86/58/06/871865806.db2.gz PXUVGFPBWYBSPT-SWLSCSKDSA-N 1 1 306.406 1.667 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2CN)c(O)c1 ZINC001205855863 871865822 /nfs/dbraw/zinc/86/58/22/871865822.db2.gz PXUVGFPBWYBSPT-SWLSCSKDSA-N 1 1 306.406 1.667 20 10 DDCDMO N[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1F ZINC001206173337 872110678 /nfs/dbraw/zinc/11/06/78/872110678.db2.gz HCJCKFAWTCTALH-MSOLQXFVSA-N 1 1 321.440 1.909 20 10 DDCDMO [NH3+][C@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1F ZINC001206173337 872110682 /nfs/dbraw/zinc/11/06/82/872110682.db2.gz HCJCKFAWTCTALH-MSOLQXFVSA-N 1 1 321.440 1.909 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CN(C)C(=O)O2)cc1 ZINC001346128020 873618297 /nfs/dbraw/zinc/61/82/97/873618297.db2.gz SRQXNMKCQFUJOM-HNNXBMFYSA-N 1 1 307.394 1.514 20 10 DDCDMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc(N2CCOCC2)cc1 ZINC001276635654 874835547 /nfs/dbraw/zinc/83/55/47/874835547.db2.gz SHJXOPDINWWQFL-HDICACEKSA-N 1 1 317.433 1.038 20 10 DDCDMO CN(C)C(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]2O1 ZINC001277192409 882924642 /nfs/dbraw/zinc/92/46/42/882924642.db2.gz NWBWMLQXPNENNQ-INWMFGNUSA-N 1 1 320.389 1.165 20 10 DDCDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(N)=O)c(OC)c1 ZINC001277295801 883479261 /nfs/dbraw/zinc/47/92/61/883479261.db2.gz UBHNMDFWMBVDFM-KBXCAEBGSA-N 1 1 317.433 1.991 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H]3C[C@]32C(N)=O)c(OC)c1 ZINC001277295801 883479269 /nfs/dbraw/zinc/47/92/69/883479269.db2.gz UBHNMDFWMBVDFM-KBXCAEBGSA-N 1 1 317.433 1.991 20 10 DDCDMO COc1ccc(C[N@H+]2CC[C@@]3(CCC[C@@H]3C(N)=O)C2)c(O)c1 ZINC001277453541 884429951 /nfs/dbraw/zinc/42/99/51/884429951.db2.gz AMHWGJFLYMSLQE-PBHICJAKSA-N 1 1 304.390 1.878 20 10 DDCDMO CN(C)C(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3c(O)cccc3F)C[C@@H]2O1 ZINC001277490012 885273251 /nfs/dbraw/zinc/27/32/51/885273251.db2.gz ZKSBFCXQEUCIIC-HSMVNMDESA-N 1 1 322.380 1.599 20 10 DDCDMO CN(C)C(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@@H]2O1 ZINC001277490012 885273261 /nfs/dbraw/zinc/27/32/61/885273261.db2.gz ZKSBFCXQEUCIIC-HSMVNMDESA-N 1 1 322.380 1.599 20 10 DDCDMO COc1cc(C[N@@H+](C)[C@@H]2CCCN(C(C)=O)C2)c(O)cc1O ZINC001231639180 885778733 /nfs/dbraw/zinc/77/87/33/885778733.db2.gz MTNUROKUPMMMEC-CYBMUJFWSA-N 1 1 308.378 1.549 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c(O)c1 ZINC001232834859 886621610 /nfs/dbraw/zinc/62/16/10/886621610.db2.gz OZGICZJNZPLCOE-LBPRGKRZSA-N 1 1 300.349 1.908 20 10 DDCDMO C[C@@]1(CO)C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC[C@@H]1O ZINC001233452416 886999126 /nfs/dbraw/zinc/99/91/26/886999126.db2.gz VQGLLKJWFKKWLV-KBPBESRZSA-N 1 1 319.323 1.976 20 10 DDCDMO Oc1cc(C(F)(F)F)ccc1C[NH+]1CC(N2CCOCC2)C1 ZINC001233453983 887000121 /nfs/dbraw/zinc/00/01/21/887000121.db2.gz BKNSUNOYKRFAFC-UHFFFAOYSA-N 1 1 316.323 1.927 20 10 DDCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1O ZINC001233486624 887021648 /nfs/dbraw/zinc/02/16/48/887021648.db2.gz VHEMSVICUUCCHG-CYBMUJFWSA-N 1 1 302.330 1.852 20 10 DDCDMO Cc1cc(=O)oc2c1ccc(O)c2CN1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235993844 889051007 /nfs/dbraw/zinc/05/10/07/889051007.db2.gz OPRHNUVKEBPQHQ-GTNSWQLSSA-N 1 1 300.358 1.730 20 10 DDCDMO Cc1cc(=O)oc2c1ccc(O)c2CN(C)C[C@@H]1CCC[NH2+]1 ZINC001236118962 889107639 /nfs/dbraw/zinc/10/76/39/889107639.db2.gz PVOYFYBNBMDDRJ-LBPRGKRZSA-N 1 1 302.374 1.991 20 10 DDCDMO CN(C)c1ccc(CN2CC(N3CC[NH2+]CC3)C2)c2ccccc21 ZINC001236160595 889120067 /nfs/dbraw/zinc/12/00/67/889120067.db2.gz REYGETWDVHQLML-UHFFFAOYSA-N 1 1 324.472 1.995 20 10 DDCDMO COc1cc(O)c(CN2CC([N@@H+](C)[C@@H]3CCOC3)C2)cc1OC ZINC001236751435 889332107 /nfs/dbraw/zinc/33/21/07/889332107.db2.gz DBJYQEFGSQYOMA-CYBMUJFWSA-N 1 1 322.405 1.314 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c(Cl)c1 ZINC001236800224 889358685 /nfs/dbraw/zinc/35/86/85/889358685.db2.gz XCHMQJHZIQCMFK-YMTOWFKASA-N 1 1 301.770 1.229 20 10 DDCDMO C[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(N3CCN(C)CC3)cc2F)C1 ZINC001236932114 889427708 /nfs/dbraw/zinc/42/77/08/889427708.db2.gz NUBGPUIVHAFLPE-YOEHRIQHSA-N 1 1 321.440 1.780 20 10 DDCDMO C[C@H]1C[C@@H](CO)[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2F)C1 ZINC001236932114 889427716 /nfs/dbraw/zinc/42/77/16/889427716.db2.gz NUBGPUIVHAFLPE-YOEHRIQHSA-N 1 1 321.440 1.780 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+](C)CC3COC3)c(F)c2)CC1 ZINC001236938385 889433060 /nfs/dbraw/zinc/43/30/60/889433060.db2.gz MFLCWJBYPXFGSJ-UHFFFAOYSA-N 1 1 307.413 1.656 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+](C)CC3COC3)c(F)c2)CC1 ZINC001236938385 889433064 /nfs/dbraw/zinc/43/30/64/889433064.db2.gz MFLCWJBYPXFGSJ-UHFFFAOYSA-N 1 1 307.413 1.656 20 10 DDCDMO Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001237053448 889484658 /nfs/dbraw/zinc/48/46/58/889484658.db2.gz LXJSBAFGUYDCER-CMPLNLGQSA-N 1 1 309.259 1.848 20 10 DDCDMO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001237053448 889484663 /nfs/dbraw/zinc/48/46/63/889484663.db2.gz LXJSBAFGUYDCER-CMPLNLGQSA-N 1 1 309.259 1.848 20 10 DDCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CN[C@H](C(=O)OC)C1 ZINC001246926967 892991652 /nfs/dbraw/zinc/99/16/52/892991652.db2.gz VREXPGDBPRBIGQ-CVEARBPZSA-N 1 1 305.422 1.478 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)c(O)c1 ZINC001249171204 893849770 /nfs/dbraw/zinc/84/97/70/893849770.db2.gz ALDZAQNCHVMBHN-SWLSCSKDSA-N 1 1 307.390 1.701 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c(O)c1 ZINC001249208171 893866362 /nfs/dbraw/zinc/86/63/62/893866362.db2.gz OGYTXMQEBBQCRP-DZGCQCFKSA-N 1 1 304.390 1.244 20 10 DDCDMO CC1(C)C=Cc2c(O)c(C[NH+]3CCN(C(N)=O)CC3)ccc2O1 ZINC001249244427 893887736 /nfs/dbraw/zinc/88/77/36/893887736.db2.gz GLRHAWOAUDGUGN-UHFFFAOYSA-N 1 1 317.389 1.773 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H]3OCCC[C@H]3C1)[C@@H](O)CO2 ZINC001253981518 896199918 /nfs/dbraw/zinc/19/99/18/896199918.db2.gz QFANYUJGZDATKZ-UVBJJODRSA-N 1 1 305.374 1.819 20 10 DDCDMO C[N@@H+](CCCO)C1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001262603811 900270157 /nfs/dbraw/zinc/27/01/57/900270157.db2.gz WFBGTAAIMZGCFJ-UHFFFAOYSA-N 1 1 320.437 1.257 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000091865513 193120256 /nfs/dbraw/zinc/12/02/56/193120256.db2.gz NPRGSVSDMWHPIB-INIZCTEOSA-N 1 1 302.422 1.742 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1)OCO2 ZINC000093612158 193273644 /nfs/dbraw/zinc/27/36/44/193273644.db2.gz JNYZEEGIZODMCW-LBPRGKRZSA-N 1 1 305.252 1.620 20 10 DDCDMO CCC[N@H+]1CC[C@H](CNC(=O)NCc2cccc(OC)c2O)C1 ZINC000105016131 194064970 /nfs/dbraw/zinc/06/49/70/194064970.db2.gz AJVFTFFUHYBOHG-CYBMUJFWSA-N 1 1 321.421 1.932 20 10 DDCDMO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273491830 130128100 /nfs/dbraw/zinc/12/81/00/130128100.db2.gz OKMZZCSWMBBRQO-SNVBAGLBSA-N 1 1 308.378 1.602 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2nc(C)no2)c1 ZINC000273548876 130135138 /nfs/dbraw/zinc/13/51/38/130135138.db2.gz ZZXGUJLOMIECGO-SECBINFHSA-N 1 1 305.334 1.764 20 10 DDCDMO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000274075176 130203169 /nfs/dbraw/zinc/20/31/69/130203169.db2.gz GEYNFFQPZSOEQQ-CQSZACIVSA-N 1 1 313.419 1.800 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000274075176 130203171 /nfs/dbraw/zinc/20/31/71/130203171.db2.gz GEYNFFQPZSOEQQ-CQSZACIVSA-N 1 1 313.419 1.800 20 10 DDCDMO COc1c(O)c(C[NH2+][C@H]2CCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000278366584 130686724 /nfs/dbraw/zinc/68/67/24/130686724.db2.gz KEIQUGWVOMFJSB-JQWIXIFHSA-N 1 1 310.350 1.950 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@@]3(CCCOC3)C1)OCO2 ZINC000285124926 131140644 /nfs/dbraw/zinc/14/06/44/131140644.db2.gz PMMKNYICXJWMHL-INIZCTEOSA-N 1 1 307.346 1.502 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@]3(CCCOC3)C1)OCO2 ZINC000285124926 131140645 /nfs/dbraw/zinc/14/06/45/131140645.db2.gz PMMKNYICXJWMHL-INIZCTEOSA-N 1 1 307.346 1.502 20 10 DDCDMO 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CCOc1cccc(C[N@@H+]2CCc3nnc(N)cc3C2)c1O ZINC000371378386 418787170 /nfs/dbraw/zinc/78/71/70/418787170.db2.gz IIQIKNSTKGCIJE-UHFFFAOYSA-N 1 1 300.362 1.721 20 10 DDCDMO CCOc1cccc(C[N@H+]2CCc3nnc(N)cc3C2)c1O ZINC000371378386 418787173 /nfs/dbraw/zinc/78/71/73/418787173.db2.gz IIQIKNSTKGCIJE-UHFFFAOYSA-N 1 1 300.362 1.721 20 10 DDCDMO COc1ccc(O)c([C@H](C)[NH+]2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000372598931 418886401 /nfs/dbraw/zinc/88/64/01/418886401.db2.gz FCQFIPYIPUQLJF-XCRHUMRWSA-N 1 1 320.433 1.993 20 10 DDCDMO CC[N@H+](Cc1cc(OC)ccc1O)[C@H](C)CS(C)(=O)=O ZINC000180244221 521293644 /nfs/dbraw/zinc/29/36/44/521293644.db2.gz CVDAEFNGUXSUKE-LLVKDONJSA-N 1 1 301.408 1.656 20 10 DDCDMO CC[N@@H+](Cc1cc(OC)ccc1O)[C@H](C)CS(C)(=O)=O ZINC000180244221 521293650 /nfs/dbraw/zinc/29/36/50/521293650.db2.gz CVDAEFNGUXSUKE-LLVKDONJSA-N 1 1 301.408 1.656 20 10 DDCDMO COc1cc(O)c(C[NH+]2CCN(CC(F)F)CC2)cc1OC ZINC000160052883 522772435 /nfs/dbraw/zinc/77/24/35/522772435.db2.gz ZURDEQOWYSUCJT-UHFFFAOYSA-N 1 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COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000729535077 699481980 /nfs/dbraw/zinc/48/19/80/699481980.db2.gz JGJHYHSWDXZZSP-STQMWFEESA-N 1 1 321.421 1.214 20 10 DDCDMO O=C(NCc1ccccc1O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729606396 699483216 /nfs/dbraw/zinc/48/32/16/699483216.db2.gz RDJHMEGICBYPIC-UONOGXRCSA-N 1 1 305.378 1.055 20 10 DDCDMO COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(O)c1 ZINC000792983932 699726497 /nfs/dbraw/zinc/72/64/97/699726497.db2.gz FZCQSSKANRKDIM-GFCCVEGCSA-N 1 1 305.378 1.437 20 10 DDCDMO CCn1nccc1C[N@H+](CCO)Cc1cccc(OC)c1O ZINC000793306652 699748896 /nfs/dbraw/zinc/74/88/96/699748896.db2.gz GCGBBODKMYYLGO-UHFFFAOYSA-N 1 1 305.378 1.612 20 10 DDCDMO CCn1nccc1C[N@@H+](CCO)Cc1cccc(OC)c1O ZINC000793306652 699748898 /nfs/dbraw/zinc/74/88/98/699748898.db2.gz GCGBBODKMYYLGO-UHFFFAOYSA-N 1 1 305.378 1.612 20 10 DDCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000793698553 699773036 /nfs/dbraw/zinc/77/30/36/699773036.db2.gz NOMYMQRPCNJGSU-GFCCVEGCSA-N 1 1 313.419 1.576 20 10 DDCDMO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCSCC2)c(O)c1 ZINC000794388140 699806455 /nfs/dbraw/zinc/80/64/55/699806455.db2.gz QJUDLSWZPMLJBP-NSHDSACASA-N 1 1 310.419 1.454 20 10 DDCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H](C2CC2)O1 ZINC000794653001 699821660 /nfs/dbraw/zinc/82/16/60/699821660.db2.gz KOZUJYMVTZWODS-FNDUUJAJSA-N 1 1 305.374 1.817 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CN(C(=O)OC)C2)c1 ZINC000756757724 700639500 /nfs/dbraw/zinc/63/95/00/700639500.db2.gz CXINGQKJYKFZBP-SECBINFHSA-N 1 1 308.334 1.280 20 10 DDCDMO COc1ccc(N2CCC[N@H+](Cc3cn(C)nn3)CC2)cc1 ZINC000761655304 700866253 /nfs/dbraw/zinc/86/62/53/700866253.db2.gz AMWKPNVXLISOAT-UHFFFAOYSA-N 1 1 301.394 1.536 20 10 DDCDMO COc1ccc(N2CCC[N@@H+](Cc3cn(C)nn3)CC2)cc1 ZINC000761655304 700866255 /nfs/dbraw/zinc/86/62/55/700866255.db2.gz AMWKPNVXLISOAT-UHFFFAOYSA-N 1 1 301.394 1.536 20 10 DDCDMO COc1c(O)c(C[NH2+]CC[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000809743415 701685033 /nfs/dbraw/zinc/68/50/33/701685033.db2.gz RBSPFNSMOXHHCJ-SECBINFHSA-N 1 1 324.255 1.712 20 10 DDCDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768452868 701178420 /nfs/dbraw/zinc/17/84/20/701178420.db2.gz UQTCQSVYAUACKA-ABAIWWIYSA-N 1 1 320.389 1.296 20 10 DDCDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768452872 701178481 /nfs/dbraw/zinc/17/84/81/701178481.db2.gz UQTCQSVYAUACKA-IAQYHMDHSA-N 1 1 320.389 1.296 20 10 DDCDMO CCOc1ccc(O)c(C[NH+]2CCC(S(C)(=O)=O)CC2)c1 ZINC000769485395 701247106 /nfs/dbraw/zinc/24/71/06/701247106.db2.gz QLWDGIGWGWBDBK-UHFFFAOYSA-N 1 1 313.419 1.800 20 10 DDCDMO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000808211703 701507882 /nfs/dbraw/zinc/50/78/82/701507882.db2.gz AMOBKGIHOUOZBI-CYBMUJFWSA-N 1 1 309.362 1.473 20 10 DDCDMO COC(=O)C[C@@H]1COCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000808211703 701507883 /nfs/dbraw/zinc/50/78/83/701507883.db2.gz AMOBKGIHOUOZBI-CYBMUJFWSA-N 1 1 309.362 1.473 20 10 DDCDMO C[C@@H](NC(=O)NCC[NH+]1CCSCC1)c1ccccc1O ZINC000868355389 702079606 /nfs/dbraw/zinc/07/96/06/702079606.db2.gz KWQVJOPCDNTRKC-GFCCVEGCSA-N 1 1 309.435 1.801 20 10 DDCDMO Fc1cc(CN[C@H]2CCC[NH2+]CC2)ccc1N1CCOCC1 ZINC000841057741 702329004 /nfs/dbraw/zinc/32/90/04/702329004.db2.gz MZCBVAIPEVCYHH-HNNXBMFYSA-N 1 1 307.413 1.894 20 10 DDCDMO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(N)cc3)C2)C1 ZINC000841136531 702361689 /nfs/dbraw/zinc/36/16/89/702361689.db2.gz MGARFHQQYPVCPV-KRWDZBQOSA-N 1 1 316.405 1.152 20 10 DDCDMO CCOc1ccc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)c(O)c1 ZINC000814174481 702491455 /nfs/dbraw/zinc/49/14/55/702491455.db2.gz CZTQJCQNVMQGBG-GFCCVEGCSA-N 1 1 313.419 1.657 20 10 DDCDMO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)C[N@H+]1C1CC1 ZINC000841854240 702588168 /nfs/dbraw/zinc/58/81/68/702588168.db2.gz NJXRSNXHAKBRPN-IUODEOHRSA-N 1 1 302.422 1.736 20 10 DDCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000843105301 702820102 /nfs/dbraw/zinc/82/01/02/702820102.db2.gz RLZLVAGTRUSBQA-CALCHBBNSA-N 1 1 301.434 1.850 20 10 DDCDMO c1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000843105301 702820104 /nfs/dbraw/zinc/82/01/04/702820104.db2.gz RLZLVAGTRUSBQA-CALCHBBNSA-N 1 1 301.434 1.850 20 10 DDCDMO CCOc1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c(O)c1 ZINC000843124717 702824697 /nfs/dbraw/zinc/82/46/97/702824697.db2.gz KYCDMMGJFJXJEP-OAHLLOKOSA-N 1 1 305.422 1.270 20 10 DDCDMO CC[N@H+](CCOCC[NH3+])Cc1cc(Br)ccc1[O-] ZINC000843359003 702866310 /nfs/dbraw/zinc/86/63/10/702866310.db2.gz AVDDWPXNEVIMHN-UHFFFAOYSA-N 1 1 317.227 1.952 20 10 DDCDMO CC[N@@H+](CCOCC[NH3+])Cc1cc(Br)ccc1[O-] ZINC000843359003 702866313 /nfs/dbraw/zinc/86/63/13/702866313.db2.gz AVDDWPXNEVIMHN-UHFFFAOYSA-N 1 1 317.227 1.952 20 10 DDCDMO CC(=O)NCC[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843428156 702879482 /nfs/dbraw/zinc/87/94/82/702879482.db2.gz PLBANZLAMDKYLB-UHFFFAOYSA-N 1 1 309.385 1.230 20 10 DDCDMO CCOC(=O)CN(Cc1ccccc1O)C[C@H]1CCC[N@H+]1C ZINC000844343202 703018186 /nfs/dbraw/zinc/01/81/86/703018186.db2.gz NNVLHRSZKSWZJB-OAHLLOKOSA-N 1 1 306.406 1.852 20 10 DDCDMO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000846047191 703230452 /nfs/dbraw/zinc/23/04/52/703230452.db2.gz KDZBRTXDYROEPL-ZWKOTPCHSA-N 1 1 319.449 1.020 20 10 DDCDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000846047191 703230454 /nfs/dbraw/zinc/23/04/54/703230454.db2.gz KDZBRTXDYROEPL-ZWKOTPCHSA-N 1 1 319.449 1.020 20 10 DDCDMO CC[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(F)cc1O ZINC000850509877 703734510 /nfs/dbraw/zinc/73/45/10/703734510.db2.gz UQLWAIWGPPINBY-ZBFHGGJFSA-N 1 1 313.369 1.740 20 10 DDCDMO CCN1CC[C@H]([N@H+]2CCCN(c3ccc(OC)cc3)CC2)C1=O ZINC000851733408 703839907 /nfs/dbraw/zinc/83/99/07/703839907.db2.gz USGBLJBBRDGBBY-KRWDZBQOSA-N 1 1 317.433 1.828 20 10 DDCDMO Cc1cc(C[N@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)ccc1N(C)C ZINC000831804546 706783461 /nfs/dbraw/zinc/78/34/61/706783461.db2.gz JQEKCPWTINGARQ-IYBDPMFKSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1N(C)C ZINC000831804546 706783463 /nfs/dbraw/zinc/78/34/63/706783463.db2.gz JQEKCPWTINGARQ-IYBDPMFKSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1N(C)C ZINC000831804546 706783466 /nfs/dbraw/zinc/78/34/66/706783466.db2.gz JQEKCPWTINGARQ-IYBDPMFKSA-N 1 1 305.466 1.948 20 10 DDCDMO C[C@@H](CN1CCN(C)CC1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835038171 707161003 /nfs/dbraw/zinc/16/10/03/707161003.db2.gz NXBNWPAAJSQICU-RTRPANQVSA-N 1 1 316.493 1.991 20 10 DDCDMO COc1cccc(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)c1O ZINC000824451344 705455506 /nfs/dbraw/zinc/45/55/06/705455506.db2.gz SYRRZHQLJOKEDE-LBPRGKRZSA-N 1 1 306.362 1.675 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)OCO2 ZINC000825123815 705604700 /nfs/dbraw/zinc/60/47/00/705604700.db2.gz CQHKJJDZKGNQDG-AMIZOPFISA-N 1 1 319.279 1.866 20 10 DDCDMO OC[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[C@H]1O ZINC000862394808 705708811 /nfs/dbraw/zinc/70/88/11/705708811.db2.gz QYTUVIDDMYBUPT-BXKDBHETSA-N 1 1 316.195 1.330 20 10 DDCDMO CCOC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000862501383 705725291 /nfs/dbraw/zinc/72/52/91/705725291.db2.gz HVWJHKYXKCHUGD-SFHVURJKSA-N 1 1 320.433 1.761 20 10 DDCDMO CCOC[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000862501383 705725292 /nfs/dbraw/zinc/72/52/92/705725292.db2.gz HVWJHKYXKCHUGD-SFHVURJKSA-N 1 1 320.433 1.761 20 10 DDCDMO OCCO[C@@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCOC1 ZINC000826941786 705895754 /nfs/dbraw/zinc/89/57/54/705895754.db2.gz KMZSQEXACPOMPQ-CQSZACIVSA-N 1 1 319.760 1.442 20 10 DDCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1C(C)C ZINC000863324635 705902545 /nfs/dbraw/zinc/90/25/45/705902545.db2.gz FIPWPMZLULXHRG-AWEZNQCLSA-N 1 1 306.406 1.900 20 10 DDCDMO Cc1cc(N(C)C)ccc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000827125713 705934713 /nfs/dbraw/zinc/93/47/13/705934713.db2.gz PLJUJODTJPDFHN-SFHVURJKSA-N 1 1 303.450 1.968 20 10 DDCDMO CN(C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)c1ccc(N)cc1 ZINC000877074396 705977525 /nfs/dbraw/zinc/97/75/25/705977525.db2.gz ITOJDSVBELAWDU-QGZVFWFLSA-N 1 1 312.417 1.691 20 10 DDCDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000836216167 707418899 /nfs/dbraw/zinc/41/88/99/707418899.db2.gz IRYRNUPOXLFBLO-HNNXBMFYSA-N 1 1 304.438 1.988 20 10 DDCDMO c1c(C[NH2+]Cc2ccc3c(c2)CCO3)nnn1C[C@@H]1CCCO1 ZINC000865440819 706431589 /nfs/dbraw/zinc/43/15/89/706431589.db2.gz NKHWTQRWBHEEAL-INIZCTEOSA-N 1 1 314.389 1.682 20 10 DDCDMO CNS(=O)(=O)CCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000865706138 706501459 /nfs/dbraw/zinc/50/14/59/706501459.db2.gz NNZBZRQHKHNBQG-UHFFFAOYSA-N 1 1 310.778 1.214 20 10 DDCDMO COC1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@]4(O)C3)cc2)CC1 ZINC000880419915 706968314 /nfs/dbraw/zinc/96/83/14/706968314.db2.gz SQWCDBHTVRFYLU-YJBOKZPZSA-N 1 1 302.418 1.868 20 10 DDCDMO CSCC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C(=O)N(C)C ZINC000883120427 707933075 /nfs/dbraw/zinc/93/30/75/707933075.db2.gz COXYDXMOZWMOEC-LBPRGKRZSA-N 1 1 318.389 1.970 20 10 DDCDMO CC(C)(CC[NH2+]Cc1cc(F)cc(F)c1O)S(C)(=O)=O ZINC000883146689 707940466 /nfs/dbraw/zinc/94/04/66/707940466.db2.gz VEZUFLIKFMGUEI-UHFFFAOYSA-N 1 1 307.362 1.973 20 10 DDCDMO COc1ccc(N2CC[C@@H](NC(=O)c3ncoc3C[NH3+])C2)cc1 ZINC000884398035 708280158 /nfs/dbraw/zinc/28/01/58/708280158.db2.gz UOFFBGFEYMJAQS-LLVKDONJSA-N 1 1 316.361 1.151 20 10 DDCDMO COc1cccc(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000897559610 708374740 /nfs/dbraw/zinc/37/47/40/708374740.db2.gz YVAGJWZSDZLGSF-OAHLLOKOSA-N 1 1 303.362 1.708 20 10 DDCDMO COc1cccc(C[N@H+]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000897559610 708374742 /nfs/dbraw/zinc/37/47/42/708374742.db2.gz YVAGJWZSDZLGSF-OAHLLOKOSA-N 1 1 303.362 1.708 20 10 DDCDMO CN(C)c1ccc(/C=C\C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000897617686 708395226 /nfs/dbraw/zinc/39/52/26/708395226.db2.gz AQMLSSYGRNWBBC-SSGMOAHOSA-N 1 1 320.458 1.742 20 10 DDCDMO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000897617686 708395229 /nfs/dbraw/zinc/39/52/29/708395229.db2.gz AQMLSSYGRNWBBC-SSGMOAHOSA-N 1 1 320.458 1.742 20 10 DDCDMO O=S1(=O)C[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)C[C@H]2C1 ZINC000897618909 708396426 /nfs/dbraw/zinc/39/64/26/708396426.db2.gz LASQLRUMGBDQCI-AOOOYVTPSA-N 1 1 301.795 1.522 20 10 DDCDMO COc1ccc(N2CC[NH+](C[C@@](C)(O)C(F)F)CC2)cc1F ZINC000886037643 708686505 /nfs/dbraw/zinc/68/65/05/708686505.db2.gz MYUSKEXULYWMAF-OAHLLOKOSA-N 1 1 318.339 1.972 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H]1C[C@H]1CCCO1)OCO2 ZINC000902608283 710813839 /nfs/dbraw/zinc/81/38/39/710813839.db2.gz LQRMDWKRONIXAN-ZIAGYGMSSA-N 1 1 321.373 1.891 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCOC[C@H]1C[C@H]1CCCO1)OCO2 ZINC000902608283 710813846 /nfs/dbraw/zinc/81/38/46/710813846.db2.gz LQRMDWKRONIXAN-ZIAGYGMSSA-N 1 1 321.373 1.891 20 10 DDCDMO CNS(=O)(=O)[C@@H]1CCCN(Cc2cc(F)cc(F)c2O)C1 ZINC000894025328 710933074 /nfs/dbraw/zinc/93/30/74/710933074.db2.gz CULKLONUIDSMRX-LLVKDONJSA-N 1 1 320.361 1.184 20 10 DDCDMO COc1ccc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c(O)c1OC ZINC000894906980 711314827 /nfs/dbraw/zinc/31/48/27/711314827.db2.gz FBLJTSYIBZVADI-LBPRGKRZSA-N 1 1 308.378 1.320 20 10 DDCDMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(N(C)C)c(F)c3)C[C@@H]2C1 ZINC000895576276 711547727 /nfs/dbraw/zinc/54/77/27/711547727.db2.gz MWEVLAKFFOGHGC-GASCZTMLSA-N 1 1 305.397 1.802 20 10 DDCDMO COc1ccc(C[N@@H+]2CCCn3nncc3C2)c(O)c1OC ZINC000896044965 711667961 /nfs/dbraw/zinc/66/79/61/711667961.db2.gz KFWRVVDXTBHJRT-UHFFFAOYSA-N 1 1 304.350 1.407 20 10 DDCDMO COc1ccc(C[N@H+]2CCCn3nncc3C2)c(O)c1OC ZINC000896044965 711667963 /nfs/dbraw/zinc/66/79/63/711667963.db2.gz KFWRVVDXTBHJRT-UHFFFAOYSA-N 1 1 304.350 1.407 20 10 DDCDMO Oc1ccc(Br)cc1CN1CCNCC[NH2+]CC1 ZINC000904397256 711852199 /nfs/dbraw/zinc/85/21/99/711852199.db2.gz CEGGLZWBRRKDOZ-UHFFFAOYSA-N 1 1 314.227 1.150 20 10 DDCDMO Cc1cc(N(C)C)ccc1CNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906714616 712397763 /nfs/dbraw/zinc/39/77/63/712397763.db2.gz WCDZQNZWJGBIMI-UHFFFAOYSA-N 1 1 318.465 1.171 20 10 DDCDMO COc1ccc(N2CCC[N@@H+](CCN3CCOCC3)CC2)cc1 ZINC000919880740 713640464 /nfs/dbraw/zinc/64/04/64/713640464.db2.gz OEYYGDQPLWYEDG-UHFFFAOYSA-N 1 1 319.449 1.540 20 10 DDCDMO Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCO3)n[nH]1 ZINC000922409494 714045524 /nfs/dbraw/zinc/04/55/24/714045524.db2.gz OMTZDYXQTFYUAB-GDBMZVCRSA-N 1 1 314.389 1.915 20 10 DDCDMO CCO[C@@H](CNCc1ccc(N2CCOCC2)cc1)C[NH+](C)C ZINC000922759606 714139930 /nfs/dbraw/zinc/13/99/30/714139930.db2.gz ILCDYOLNQOQMKX-SFHVURJKSA-N 1 1 321.465 1.580 20 10 DDCDMO COC1(OC)CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H]1O ZINC000931636392 714144982 /nfs/dbraw/zinc/14/49/82/714144982.db2.gz WDOAXMYPSCYPDV-INIZCTEOSA-N 1 1 308.422 1.617 20 10 DDCDMO Cc1[nH+]ccn1CCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000925292960 714796239 /nfs/dbraw/zinc/79/62/39/714796239.db2.gz JSRUPQXCINWQJN-UHFFFAOYSA-N 1 1 314.345 1.362 20 10 DDCDMO [NH3+][C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)C12CCC2 ZINC000925499828 714874370 /nfs/dbraw/zinc/87/43/70/714874370.db2.gz ATUZRUFQIQSRBL-IRXDYDNUSA-N 1 1 301.434 1.883 20 10 DDCDMO O=S1(=O)CC2(C1)CCC([NH2+]Cc1c(O)cccc1F)CC2 ZINC001207623991 739135413 /nfs/dbraw/zinc/13/54/13/739135413.db2.gz ZIDDXIRIJRVNQE-UHFFFAOYSA-N 1 1 313.394 1.978 20 10 DDCDMO CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001035626931 751698111 /nfs/dbraw/zinc/69/81/11/751698111.db2.gz ZXLIABKKTIPTAF-ZDUSSCGKSA-N 1 1 319.365 1.300 20 10 DDCDMO CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001035626931 751698115 /nfs/dbraw/zinc/69/81/15/751698115.db2.gz ZXLIABKKTIPTAF-ZDUSSCGKSA-N 1 1 319.365 1.300 20 10 DDCDMO Oc1ccc([C@@H](O)CNC2CC[NH+](CC3CC3)CC2)cc1O ZINC001168351082 742215001 /nfs/dbraw/zinc/21/50/01/742215001.db2.gz BULOCLWVHQIJEA-KRWDZBQOSA-N 1 1 306.406 1.595 20 10 DDCDMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499114 772550834 /nfs/dbraw/zinc/55/08/34/772550834.db2.gz AASWXOPMRARSLL-GFCCVEGCSA-N 1 1 322.405 1.884 20 10 DDCDMO 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O=S(=O)([C@H]1CC[N@H+](Cc2ccccc2O)C1)N1CCCC1 ZINC000179586753 407809876 /nfs/dbraw/zinc/80/98/76/407809876.db2.gz HQKZNZCUUOTSDQ-AWEZNQCLSA-N 1 1 310.419 1.392 20 10 DDCDMO C[C@@H](O)C[N@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)C1 ZINC000194017752 408759343 /nfs/dbraw/zinc/75/93/43/408759343.db2.gz SEQUALHKJXZPKH-LOWFTVKWSA-N 1 1 320.389 1.025 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)c1 ZINC000278866285 409104250 /nfs/dbraw/zinc/10/42/50/409104250.db2.gz RKYKOMYHKZACDK-LYOVBCGYSA-N 1 1 309.362 1.369 20 10 DDCDMO CC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](C)CO ZINC000293409564 409107362 /nfs/dbraw/zinc/10/73/62/409107362.db2.gz MJJZZFBZJHJLAB-AWEZNQCLSA-N 1 1 307.438 1.414 20 10 DDCDMO CC[N@H+]1CC[C@H]2OCCN(Cc3cc4c(cc3O)OCO4)[C@H]2C1 ZINC000293547268 409135683 /nfs/dbraw/zinc/13/56/83/409135683.db2.gz DLXBXWJHVMOOMG-DZGCQCFKSA-N 1 1 320.389 1.416 20 10 DDCDMO Cc1cc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ccc1N(C)C ZINC000294447804 409290911 /nfs/dbraw/zinc/29/09/11/409290911.db2.gz FTHPKPLLCKZEKR-JKSUJKDBSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(C[N@H+]2CCN(C[C@@H](C)O)C[C@@H]2C)ccc1N(C)C ZINC000294447804 409290912 /nfs/dbraw/zinc/29/09/12/409290912.db2.gz FTHPKPLLCKZEKR-JKSUJKDBSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(C[N@@H+]2CCN(C[C@@H](C)O)C[C@@H]2C)ccc1N(C)C ZINC000294447804 409290916 /nfs/dbraw/zinc/29/09/16/409290916.db2.gz FTHPKPLLCKZEKR-JKSUJKDBSA-N 1 1 305.466 1.948 20 10 DDCDMO COc1cc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1OC ZINC000280211539 409270447 /nfs/dbraw/zinc/27/04/47/409270447.db2.gz IPMRURXNUDLKCB-SJCJKPOMSA-N 1 1 323.389 1.789 20 10 DDCDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000299615363 410602117 /nfs/dbraw/zinc/60/21/17/410602117.db2.gz ZNZNVQBBZAQEGH-KRWDZBQOSA-N 1 1 317.433 1.576 20 10 DDCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1O ZINC000377525992 418711030 /nfs/dbraw/zinc/71/10/30/418711030.db2.gz RJBMHMDNTLQHIZ-JTQLQIEISA-N 1 1 310.781 1.946 20 10 DDCDMO Nc1ccc(CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1 ZINC000370793165 332252595 /nfs/dbraw/zinc/25/25/95/332252595.db2.gz JAMBYWSILOUYMQ-GOSISDBHSA-N 1 1 324.428 1.987 20 10 DDCDMO Nc1ccc(CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1 ZINC000370793165 332252597 /nfs/dbraw/zinc/25/25/97/332252597.db2.gz JAMBYWSILOUYMQ-GOSISDBHSA-N 1 1 324.428 1.987 20 10 DDCDMO COc1c(O)c(C[NH+]2CCC(C)(CO)CC2)ccc1[N+](=O)[O-] ZINC000278539824 484295927 /nfs/dbraw/zinc/29/59/27/484295927.db2.gz WYSUIQHQQMRXRH-UHFFFAOYSA-N 1 1 310.350 1.903 20 10 DDCDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000180219377 524082053 /nfs/dbraw/zinc/08/20/53/524082053.db2.gz GPGRLRCXEJZVNI-LLVKDONJSA-N 1 1 308.378 1.367 20 10 DDCDMO CC[N@@H+]1CCO[C@H](C(=O)NCCCSc2nccs2)C1 ZINC000074675992 696415537 /nfs/dbraw/zinc/41/55/37/696415537.db2.gz LTTIAUCDIIIYCT-NSHDSACASA-N 1 1 315.464 1.462 20 10 DDCDMO CC[N@H+]1CCO[C@H](C(=O)NCCCSc2nccs2)C1 ZINC000074675992 696415539 /nfs/dbraw/zinc/41/55/39/696415539.db2.gz LTTIAUCDIIIYCT-NSHDSACASA-N 1 1 315.464 1.462 20 10 DDCDMO CCO[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000076405325 696429372 /nfs/dbraw/zinc/42/93/72/696429372.db2.gz LDBCUGPZAHQBBN-QGZVFWFLSA-N 1 1 319.449 1.870 20 10 DDCDMO CC(=O)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000112119311 696648106 /nfs/dbraw/zinc/64/81/06/696648106.db2.gz YKGTVWNSIHNOGR-UHFFFAOYSA-N 1 1 303.406 1.187 20 10 DDCDMO COc1ccc(O)c(CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000114595863 696662098 /nfs/dbraw/zinc/66/20/98/696662098.db2.gz QTRYFAHHHMAVAX-LLVKDONJSA-N 1 1 307.394 1.683 20 10 DDCDMO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000131094388 696804315 /nfs/dbraw/zinc/80/43/15/696804315.db2.gz ZKDZMVDUOGNFGZ-SZNDQCEHSA-N 1 1 310.463 1.722 20 10 DDCDMO COCCCNC(=O)C[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000159948528 697313525 /nfs/dbraw/zinc/31/35/25/697313525.db2.gz BACGUHIFXNTOOC-UHFFFAOYSA-N 1 1 320.433 1.856 20 10 DDCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 ZINC000182964387 697481698 /nfs/dbraw/zinc/48/16/98/697481698.db2.gz LYHYPCACCYHOCI-ZDUSSCGKSA-N 1 1 312.435 1.475 20 10 DDCDMO Cc1cc(C)c(O)c(C[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 ZINC000182964387 697481700 /nfs/dbraw/zinc/48/17/00/697481700.db2.gz LYHYPCACCYHOCI-ZDUSSCGKSA-N 1 1 312.435 1.475 20 10 DDCDMO COCCC[N@@H+](CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000188935578 697567415 /nfs/dbraw/zinc/56/74/15/697567415.db2.gz GDIAHRPLGPXRGL-UHFFFAOYSA-N 1 1 308.422 1.354 20 10 DDCDMO CCOc1cccc(C[NH2+][C@@H](C)c2nnnn2C2CC2)c1O ZINC000191832059 697615078 /nfs/dbraw/zinc/61/50/78/697615078.db2.gz RYYJUXHHHYSJAY-JTQLQIEISA-N 1 1 303.366 1.963 20 10 DDCDMO C[C@@H]1COCCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749513401 700167664 /nfs/dbraw/zinc/16/76/64/700167664.db2.gz DOOSNGIMNUKVEX-OAHLLOKOSA-N 1 1 319.449 1.822 20 10 DDCDMO COc1c(O)c(C[NH2+]C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000774964667 697948451 /nfs/dbraw/zinc/94/84/51/697948451.db2.gz PHXLAKZRRVCEBT-NSHDSACASA-N 1 1 308.290 1.725 20 10 DDCDMO COC[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775691461 698023912 /nfs/dbraw/zinc/02/39/12/698023912.db2.gz XVBNCVQMESCAOH-KRWDZBQOSA-N 1 1 303.450 1.907 20 10 DDCDMO COC[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775691461 698023914 /nfs/dbraw/zinc/02/39/14/698023914.db2.gz XVBNCVQMESCAOH-KRWDZBQOSA-N 1 1 303.450 1.907 20 10 DDCDMO O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000779500084 698428181 /nfs/dbraw/zinc/42/81/81/698428181.db2.gz KZQFCFZSWGAJMP-BVUKWYMNSA-N 1 1 302.374 1.854 20 10 DDCDMO O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000779500086 698428187 /nfs/dbraw/zinc/42/81/87/698428187.db2.gz KZQFCFZSWGAJMP-GNXSNYGWSA-N 1 1 302.374 1.854 20 10 DDCDMO COCC[N@H+](CCO)Cc1cc(C)cc(Br)c1O ZINC000781906705 698660592 /nfs/dbraw/zinc/66/05/92/698660592.db2.gz FIYBFEOJUVXWEN-UHFFFAOYSA-N 1 1 318.211 1.904 20 10 DDCDMO COCC[N@@H+](CCO)Cc1cc(C)cc(Br)c1O ZINC000781906705 698660594 /nfs/dbraw/zinc/66/05/94/698660594.db2.gz FIYBFEOJUVXWEN-UHFFFAOYSA-N 1 1 318.211 1.904 20 10 DDCDMO COC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H](C)O1 ZINC000783968824 698896787 /nfs/dbraw/zinc/89/67/87/698896787.db2.gz VCOQMBMSUDAFRV-IFUGULHKSA-N 1 1 309.362 1.054 20 10 DDCDMO COC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H](C)O1 ZINC000783968824 698896790 /nfs/dbraw/zinc/89/67/90/698896790.db2.gz VCOQMBMSUDAFRV-IFUGULHKSA-N 1 1 309.362 1.054 20 10 DDCDMO COC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000728564263 699449110 /nfs/dbraw/zinc/44/91/10/699449110.db2.gz HEBURVLCEDQEOT-HNNXBMFYSA-N 1 1 302.330 1.314 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000728564263 699449112 /nfs/dbraw/zinc/44/91/12/699449112.db2.gz HEBURVLCEDQEOT-HNNXBMFYSA-N 1 1 302.330 1.314 20 10 DDCDMO COC(=O)[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000728564265 699449228 /nfs/dbraw/zinc/44/92/28/699449228.db2.gz HEBURVLCEDQEOT-OAHLLOKOSA-N 1 1 302.330 1.314 20 10 DDCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000728564265 699449230 /nfs/dbraw/zinc/44/92/30/699449230.db2.gz HEBURVLCEDQEOT-OAHLLOKOSA-N 1 1 302.330 1.314 20 10 DDCDMO COc1ccc(O)c([C@@H](C)NC(=O)NCCn2cc[nH+]c2C)c1 ZINC000729048420 699465474 /nfs/dbraw/zinc/46/54/74/699465474.db2.gz DTCMVWHDOWFBAH-LLVKDONJSA-N 1 1 318.377 1.966 20 10 DDCDMO CCC[N@@H+](CCC(=O)N(C)CC(=O)OC)Cc1ccccc1O ZINC000731849846 699537993 /nfs/dbraw/zinc/53/79/93/699537993.db2.gz HRDMJRVMGORBLM-UHFFFAOYSA-N 1 1 322.405 1.626 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3C[C@H](O)C(C)(C)C3)cc2)CC1 ZINC000790937129 699603988 /nfs/dbraw/zinc/60/39/88/699603988.db2.gz JGBXAFFNGSIUAB-KRWDZBQOSA-N 1 1 303.450 1.641 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3C[C@H](O)C(C)(C)C3)cc2)CC1 ZINC000790937129 699603989 /nfs/dbraw/zinc/60/39/89/699603989.db2.gz JGBXAFFNGSIUAB-KRWDZBQOSA-N 1 1 303.450 1.641 20 10 DDCDMO COc1ccc(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c(O)c1 ZINC000792856828 699719283 /nfs/dbraw/zinc/71/92/83/699719283.db2.gz AXDIDQUZUWNOSG-GFCCVEGCSA-N 1 1 319.405 1.684 20 10 DDCDMO COc1ccc(CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c(O)c1 ZINC000793043272 699730162 /nfs/dbraw/zinc/73/01/62/699730162.db2.gz LGJGASCSKCLNND-GFCCVEGCSA-N 1 1 319.405 1.850 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@](C)(C(N)=O)C3)cc2)CC1 ZINC000793388586 699753570 /nfs/dbraw/zinc/75/35/70/699753570.db2.gz DMORWZIXRFNVLW-SFHVURJKSA-N 1 1 316.449 1.136 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@](C)(C(N)=O)C3)cc2)CC1 ZINC000793388586 699753571 /nfs/dbraw/zinc/75/35/71/699753571.db2.gz DMORWZIXRFNVLW-SFHVURJKSA-N 1 1 316.449 1.136 20 10 DDCDMO CCC[N@H+](Cc1c(O)cccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000768182279 701162292 /nfs/dbraw/zinc/16/22/92/701162292.db2.gz YEFKSXKRBKLBLD-GFCCVEGCSA-N 1 1 313.419 1.800 20 10 DDCDMO CCC[N@@H+](Cc1c(O)cccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000768182279 701162294 /nfs/dbraw/zinc/16/22/94/701162294.db2.gz YEFKSXKRBKLBLD-GFCCVEGCSA-N 1 1 313.419 1.800 20 10 DDCDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768438526 701176821 /nfs/dbraw/zinc/17/68/21/701176821.db2.gz SYSGOFRZDXMODA-XHDPSFHLSA-N 1 1 321.373 1.593 20 10 DDCDMO C[C@@H]1[C@H](CO)CCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839675833 701778774 /nfs/dbraw/zinc/77/87/74/701778774.db2.gz SHUFTKYJJKKCKZ-ZBFHGGJFSA-N 1 1 319.449 1.462 20 10 DDCDMO COc1c(O)c(C[N@H+]2C[C@H](CO)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000817412351 702373249 /nfs/dbraw/zinc/37/32/49/702373249.db2.gz IZNPMWYBSCAHCS-WDEREUQCSA-N 1 1 310.350 1.759 20 10 DDCDMO COc1c(O)c(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000817412351 702373254 /nfs/dbraw/zinc/37/32/54/702373254.db2.gz IZNPMWYBSCAHCS-WDEREUQCSA-N 1 1 310.350 1.759 20 10 DDCDMO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000841301611 702417795 /nfs/dbraw/zinc/41/77/95/702417795.db2.gz ARFURVDJDBCFLD-BETUJISGSA-N 1 1 306.410 1.890 20 10 DDCDMO C[C@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)C[N@H+]1C1CC1 ZINC000841854242 702588005 /nfs/dbraw/zinc/58/80/05/702588005.db2.gz NJXRSNXHAKBRPN-WFASDCNBSA-N 1 1 302.422 1.736 20 10 DDCDMO COc1c([O-])c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843052893 702809116 /nfs/dbraw/zinc/80/91/16/702809116.db2.gz XTAIXZVOZZESSC-MNOVXSKESA-N 1 1 309.366 1.868 20 10 DDCDMO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843121310 702823823 /nfs/dbraw/zinc/82/38/23/702823823.db2.gz CRBQTWOHZMIILY-WMZOPIPTSA-N 1 1 320.456 1.570 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c1 ZINC000843414420 702876954 /nfs/dbraw/zinc/87/69/54/702876954.db2.gz DGRDZIVHSJAUHY-ZDUSSCGKSA-N 1 1 300.362 1.877 20 10 DDCDMO C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(F)cc1O ZINC000866521171 706720254 /nfs/dbraw/zinc/72/02/54/706720254.db2.gz LEQDLCGGWXRXLW-BMIGLBTASA-N 1 1 310.325 1.403 20 10 DDCDMO CCON(C)C(=O)C[NH2+]Cc1cccc(Br)c1O ZINC000846063071 703232406 /nfs/dbraw/zinc/23/24/06/703232406.db2.gz QMXVXAKRGWRQQL-UHFFFAOYSA-N 1 1 317.183 1.654 20 10 DDCDMO COc1cccc([C@H](C)[NH2+]CCCN2CCN(C)CC2)c1O ZINC000846136285 703241730 /nfs/dbraw/zinc/24/17/30/703241730.db2.gz KAQOSVVTRSOECY-AWEZNQCLSA-N 1 1 307.438 1.689 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@H](N3CCOC3=O)C2)cc1OC ZINC000853539864 704263341 /nfs/dbraw/zinc/26/33/41/704263341.db2.gz WSHPDPJCUOEISH-LBPRGKRZSA-N 1 1 322.361 1.436 20 10 DDCDMO CN(Cc1ccc(N2CCCCC2)cc1)c1nc(N)nc(N)[nH+]1 ZINC000858326740 704695567 /nfs/dbraw/zinc/69/55/67/704695567.db2.gz CHVYEHUMSAZCKQ-UHFFFAOYSA-N 1 1 313.409 1.663 20 10 DDCDMO COc1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c(O)c1 ZINC000858765579 704754488 /nfs/dbraw/zinc/75/44/88/704754488.db2.gz CQCPSEFRVVFITG-ZDUSSCGKSA-N 1 1 321.421 1.932 20 10 DDCDMO COc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1O ZINC000824654424 705500229 /nfs/dbraw/zinc/50/02/29/705500229.db2.gz OBDUYCVKSLPDFK-RRFJBIMHSA-N 1 1 307.390 1.763 20 10 DDCDMO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)NC ZINC000825316249 705644092 /nfs/dbraw/zinc/64/40/92/705644092.db2.gz MOXVFFDSFVPWHF-MRXNPFEDSA-N 1 1 304.438 1.053 20 10 DDCDMO Oc1cccc(Br)c1C[N@H+]1CCOC[C@@H](O)C1 ZINC000862383239 705706018 /nfs/dbraw/zinc/70/60/18/705706018.db2.gz NWPNXCFGASFWLK-VIFPVBQESA-N 1 1 302.168 1.348 20 10 DDCDMO Oc1cccc(Br)c1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000862383239 705706021 /nfs/dbraw/zinc/70/60/21/705706021.db2.gz NWPNXCFGASFWLK-VIFPVBQESA-N 1 1 302.168 1.348 20 10 DDCDMO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1F ZINC000862395300 705708772 /nfs/dbraw/zinc/70/87/72/705708772.db2.gz ZNDZNNCTRCJFGF-XHDPSFHLSA-N 1 1 300.349 1.206 20 10 DDCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)cc1F ZINC000862395300 705708775 /nfs/dbraw/zinc/70/87/75/705708775.db2.gz ZNDZNNCTRCJFGF-XHDPSFHLSA-N 1 1 300.349 1.206 20 10 DDCDMO CCOc1ccc(C[N@H+]2CC[C@@](OC)(C(=O)OC)C2)c(O)c1 ZINC000862473594 705720726 /nfs/dbraw/zinc/72/07/26/705720726.db2.gz BHVPMXXZMMJCAX-INIZCTEOSA-N 1 1 309.362 1.555 20 10 DDCDMO COc1ccc(O)c(C[NH2+]C2CCN(CC(C)(C)O)CC2)c1 ZINC000877036345 705968025 /nfs/dbraw/zinc/96/80/25/705968025.db2.gz OHTYOHZHGVUXBA-UHFFFAOYSA-N 1 1 308.422 1.726 20 10 DDCDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877326227 706064786 /nfs/dbraw/zinc/06/47/86/706064786.db2.gz ULPMPCAPQRDKMY-RCDICMHDSA-N 1 1 324.490 1.847 20 10 DDCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@@H](O)CC3)cc2)CC1 ZINC000877555302 706141609 /nfs/dbraw/zinc/14/16/09/706141609.db2.gz SGHFJOIJOXYXMW-QGZVFWFLSA-N 1 1 304.434 1.995 20 10 DDCDMO COc1cc(Cl)cc(CN2CC[N@H+](C)C[C@H]2CO)c1O ZINC000877644758 706168500 /nfs/dbraw/zinc/16/85/00/706168500.db2.gz STDWDKZUGWXOSK-LBPRGKRZSA-N 1 1 300.786 1.163 20 10 DDCDMO COc1cc(Cl)cc(CN2CC[N@@H+](C)C[C@H]2CO)c1O ZINC000877644758 706168502 /nfs/dbraw/zinc/16/85/02/706168502.db2.gz STDWDKZUGWXOSK-LBPRGKRZSA-N 1 1 300.786 1.163 20 10 DDCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1O ZINC000877749149 706197873 /nfs/dbraw/zinc/19/78/73/706197873.db2.gz HLFQZGMEMVNIRI-NEPJUHHUSA-N 1 1 316.195 1.391 20 10 DDCDMO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccnc(CN)c2)cc1 ZINC000832267614 706882340 /nfs/dbraw/zinc/88/23/40/706882340.db2.gz XSNACCXQQPQTEM-MRXNPFEDSA-N 1 1 313.405 1.036 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](C(F)F)CC1)[C@H](O)CO2 ZINC000872681183 707557099 /nfs/dbraw/zinc/55/70/99/707557099.db2.gz ONWWFSHIAJXUNX-OLZOCXBDSA-N 1 1 315.316 1.674 20 10 DDCDMO C[C@@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1cc(F)ccc1O ZINC000883335559 707978145 /nfs/dbraw/zinc/97/81/45/707978145.db2.gz VZOSYURVPWPHMT-SECBINFHSA-N 1 1 317.324 1.124 20 10 DDCDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000883444487 708003474 /nfs/dbraw/zinc/00/34/74/708003474.db2.gz WYRUHPQVVBWRCQ-QGZVFWFLSA-N 1 1 314.433 1.956 20 10 DDCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@](O)(CO)C2)c1O ZINC000839153770 708031204 /nfs/dbraw/zinc/03/12/04/708031204.db2.gz HLHQLWICBDLQJI-CQSZACIVSA-N 1 1 301.770 1.373 20 10 DDCDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897398052 708315743 /nfs/dbraw/zinc/31/57/43/708315743.db2.gz RQMCQZNMLUAAAN-OAHLLOKOSA-N 1 1 322.386 1.109 20 10 DDCDMO O=S1(=O)C[C@H]2C[N@H+](Cc3cc(Cl)c(F)cc3O)C[C@H]2C1 ZINC000897618234 708395594 /nfs/dbraw/zinc/39/55/94/708395594.db2.gz OASPSQBADBMSGQ-AOOOYVTPSA-N 1 1 319.785 1.661 20 10 DDCDMO O=S1(=O)C[C@H]2C[N@@H+](Cc3cc(Cl)c(F)cc3O)C[C@H]2C1 ZINC000897618234 708395598 /nfs/dbraw/zinc/39/55/98/708395598.db2.gz OASPSQBADBMSGQ-AOOOYVTPSA-N 1 1 319.785 1.661 20 10 DDCDMO CC[N@H+](CCC(=O)NC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000897709912 708426821 /nfs/dbraw/zinc/42/68/21/708426821.db2.gz KYEMNWFWRPKCPZ-UHFFFAOYSA-N 1 1 318.465 1.396 20 10 DDCDMO CC[N@@H+](CCC(=O)NC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000897709912 708426824 /nfs/dbraw/zinc/42/68/24/708426824.db2.gz KYEMNWFWRPKCPZ-UHFFFAOYSA-N 1 1 318.465 1.396 20 10 DDCDMO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1c(O)cccc1F ZINC000886526871 708773482 /nfs/dbraw/zinc/77/34/82/708773482.db2.gz UGEHPRHBUZWZOO-LBPRGKRZSA-N 1 1 323.412 1.735 20 10 DDCDMO C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1c(O)cccc1F ZINC000886646662 708805292 /nfs/dbraw/zinc/80/52/92/708805292.db2.gz PLDRTTOPDKVOFY-BMIGLBTASA-N 1 1 310.325 1.403 20 10 DDCDMO Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(O)c1O ZINC000889760082 709617905 /nfs/dbraw/zinc/61/79/05/709617905.db2.gz BBMAYUBTEZDGCJ-ZIAGYGMSSA-N 1 1 320.389 1.077 20 10 DDCDMO COc1ccc(O)c([C@H](C)NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)c1 ZINC000901127524 709937526 /nfs/dbraw/zinc/93/75/26/709937526.db2.gz JYWPYESGSQZNHW-YVEFUNNKSA-N 1 1 322.405 1.425 20 10 DDCDMO COc1cc(C)cc(C[N@@H+](CCO)C2CCN(C)CC2)c1O ZINC000893863638 710862398 /nfs/dbraw/zinc/86/23/98/710862398.db2.gz KEVDAGPUXMVSQN-UHFFFAOYSA-N 1 1 308.422 1.598 20 10 DDCDMO COCC[N@H+](CC(=O)N(C)C)Cc1cc(C)cc(OC)c1O ZINC000893959463 710901963 /nfs/dbraw/zinc/90/19/63/710901963.db2.gz LEQAIDJWOXIINI-UHFFFAOYSA-N 1 1 310.394 1.246 20 10 DDCDMO COCC[N@@H+](CC(=O)N(C)C)Cc1cc(C)cc(OC)c1O ZINC000893959463 710901968 /nfs/dbraw/zinc/90/19/68/710901968.db2.gz LEQAIDJWOXIINI-UHFFFAOYSA-N 1 1 310.394 1.246 20 10 DDCDMO COc1ccc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c(O)c1OC ZINC000894112818 710973023 /nfs/dbraw/zinc/97/30/23/710973023.db2.gz GJBDYZVABDDACW-MRXNPFEDSA-N 1 1 306.362 1.121 20 10 DDCDMO COc1ccc(C[N@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c(O)c1OC ZINC000894931926 711325470 /nfs/dbraw/zinc/32/54/70/711325470.db2.gz FCQHCPOOTLIPAQ-GFCCVEGCSA-N 1 1 318.377 1.825 20 10 DDCDMO COc1ccc(C[N@@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)c(O)c1OC ZINC000894931926 711325474 /nfs/dbraw/zinc/32/54/74/711325474.db2.gz FCQHCPOOTLIPAQ-GFCCVEGCSA-N 1 1 318.377 1.825 20 10 DDCDMO COc1ccc(C[N@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)c(O)c1OC ZINC000894931926 711325478 /nfs/dbraw/zinc/32/54/78/711325478.db2.gz FCQHCPOOTLIPAQ-GFCCVEGCSA-N 1 1 318.377 1.825 20 10 DDCDMO COc1ccc(C[N@@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c(O)c1OC ZINC000894931926 711325481 /nfs/dbraw/zinc/32/54/81/711325481.db2.gz FCQHCPOOTLIPAQ-GFCCVEGCSA-N 1 1 318.377 1.825 20 10 DDCDMO COc1ccc(C[N@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c(O)c1OC ZINC000894931926 711325485 /nfs/dbraw/zinc/32/54/85/711325485.db2.gz FCQHCPOOTLIPAQ-GFCCVEGCSA-N 1 1 318.377 1.825 20 10 DDCDMO COc1ccc(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(O)c1OC ZINC000894954966 711336922 /nfs/dbraw/zinc/33/69/22/711336922.db2.gz FCCCNRWMDBLUSE-QWHCGFSZSA-N 1 1 324.421 1.296 20 10 DDCDMO COc1ccc(C[N@@H+]2C[C@H](C)N(CCO)C[C@H]2C)c(O)c1OC ZINC000894954966 711336927 /nfs/dbraw/zinc/33/69/27/711336927.db2.gz FCCCNRWMDBLUSE-QWHCGFSZSA-N 1 1 324.421 1.296 20 10 DDCDMO COc1ccc(C[N@H+]2C[C@H](C)N(CCO)C[C@H]2C)c(O)c1OC ZINC000894954966 711336930 /nfs/dbraw/zinc/33/69/30/711336930.db2.gz FCCCNRWMDBLUSE-QWHCGFSZSA-N 1 1 324.421 1.296 20 10 DDCDMO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(Br)ccc1O ZINC000895332266 711487473 /nfs/dbraw/zinc/48/74/73/711487473.db2.gz UPRUXXUYNFHXFC-WCQYABFASA-N 1 1 316.195 1.472 20 10 DDCDMO O=C(c1cccc(O)c1O)N1CC[NH+](CCCCCO)CC1 ZINC000913693372 713283403 /nfs/dbraw/zinc/28/34/03/713283403.db2.gz YTEXZLNKLZZHHH-UHFFFAOYSA-N 1 1 308.378 1.018 20 10 DDCDMO Cc1nc([C@H]2CC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)no1 ZINC000905681754 712116666 /nfs/dbraw/zinc/11/66/66/712116666.db2.gz ISCUTFXXDRJXQL-HZMBPMFUSA-N 1 1 317.345 1.499 20 10 DDCDMO C[C@H]1C[C@H](NC(=O)NCc2c(O)cccc2F)C[N@H+]1C1CC1 ZINC000921384058 713751848 /nfs/dbraw/zinc/75/18/48/713751848.db2.gz IXJGLQXNGCBCGJ-QWRGUYRKSA-N 1 1 307.369 1.956 20 10 DDCDMO c1cc2c(cc1C[NH2+]Cc1nnc3n1CCOC3)CCCO2 ZINC000922051711 713947333 /nfs/dbraw/zinc/94/73/33/713947333.db2.gz IVVBFZVTKVOQIF-UHFFFAOYSA-N 1 1 300.362 1.423 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000931230684 714043210 /nfs/dbraw/zinc/04/32/10/714043210.db2.gz MATHAFAMPZRNEZ-OAHLLOKOSA-N 1 1 311.451 1.396 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]C3CC(CC(N)=O)C3)cc2)CC1 ZINC000922511810 714074826 /nfs/dbraw/zinc/07/48/26/714074826.db2.gz ODJQSIAIZFBFHW-UHFFFAOYSA-N 1 1 316.449 1.182 20 10 DDCDMO CC[NH+](CC)CCN1CCN(Cc2cccc(OC)c2O)CC1 ZINC001203584497 743992986 /nfs/dbraw/zinc/99/29/86/743992986.db2.gz BZIOYMRGXLIBSC-UHFFFAOYSA-N 1 1 321.465 1.860 20 10 DDCDMO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccccc2O)[C@H](CO)C1 ZINC001203551366 751192358 /nfs/dbraw/zinc/19/23/58/751192358.db2.gz DWCDGCYHHAYQRW-AWEZNQCLSA-N 1 1 322.405 1.806 20 10 DDCDMO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccccc2O)[C@H](CO)C1 ZINC001203551366 751192360 /nfs/dbraw/zinc/19/23/60/751192360.db2.gz DWCDGCYHHAYQRW-AWEZNQCLSA-N 1 1 322.405 1.806 20 10 DDCDMO Oc1cc(O)c(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c(O)c1 ZINC001144515028 772558072 /nfs/dbraw/zinc/55/80/72/772558072.db2.gz BTZMJRDJPYEZJB-LBPRGKRZSA-N 1 1 302.330 1.852 20 10 DDCDMO CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515451 772558294 /nfs/dbraw/zinc/55/82/94/772558294.db2.gz OZKWUJCHTSCGLV-INIZCTEOSA-N 1 1 309.362 1.969 20 10 DDCDMO C[NH2+][C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)c1cnn(C)c1 ZINC001326596603 861467977 /nfs/dbraw/zinc/46/79/77/861467977.db2.gz WSLHTNNWSIIPHW-BONVTDFDSA-N 1 1 318.377 1.272 20 10 DDCDMO CN1C(=O)COCC12C[NH+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001272988997 847749514 /nfs/dbraw/zinc/74/95/14/847749514.db2.gz YCSAWJNVLMKLLO-UHFFFAOYSA-N 1 1 315.417 1.330 20 10 DDCDMO 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CC[N@@H+](Cc1cc(C)cc(OC)c1O)[C@H](C)CS(C)(=O)=O ZINC000894027170 710934569 /nfs/dbraw/zinc/93/45/69/710934569.db2.gz SPZOSDKJODTERU-GFCCVEGCSA-N 1 1 315.435 1.964 20 10 DDCDMO N[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC(F)F ZINC000903919614 711332230 /nfs/dbraw/zinc/33/22/30/711332230.db2.gz FGMHGCXVYXZZQF-LBPRGKRZSA-N 1 1 317.355 1.734 20 10 DDCDMO COc1ccc(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c(O)c1OC ZINC000894954964 711337289 /nfs/dbraw/zinc/33/72/89/711337289.db2.gz FCCCNRWMDBLUSE-CHWSQXEVSA-N 1 1 324.421 1.296 20 10 DDCDMO COc1ccc(C[N@@H+]2C[C@@H](C)N(CCO)C[C@H]2C)c(O)c1OC ZINC000894954964 711337292 /nfs/dbraw/zinc/33/72/92/711337292.db2.gz FCCCNRWMDBLUSE-CHWSQXEVSA-N 1 1 324.421 1.296 20 10 DDCDMO COc1ccc(C[N@H+]2C[C@@H](C)N(CCO)C[C@H]2C)c(O)c1OC ZINC000894954964 711337294 /nfs/dbraw/zinc/33/72/94/711337294.db2.gz FCCCNRWMDBLUSE-CHWSQXEVSA-N 1 1 324.421 1.296 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3COC[C@H]3C3CC3)cc2)CC1 ZINC000914436179 713395513 /nfs/dbraw/zinc/39/55/13/713395513.db2.gz QQUNWGXVTPEFDP-RBUKOAKNSA-N 1 1 315.461 1.953 20 10 DDCDMO CC(=O)c1cc(Cl)cc(CN2CCN(C)[C@H](CO)C2)c1[O-] ZINC000931408685 714087836 /nfs/dbraw/zinc/08/78/36/714087836.db2.gz VTKPFPGMCCLUHO-ZDUSSCGKSA-N 1 1 312.797 1.357 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)CN2CCn3cc[nH+]c32)cc1 ZINC000931527864 714120369 /nfs/dbraw/zinc/12/03/69/714120369.db2.gz TYVVGEIEHXGXCC-UHFFFAOYSA-N 1 1 313.405 1.428 20 10 DDCDMO OCC[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1CO ZINC001184364848 744034946 /nfs/dbraw/zinc/03/49/46/744034946.db2.gz YLSUZQOZUBHCIE-NXEZZACHSA-N 1 1 303.761 1.607 20 10 DDCDMO OCC[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1CO ZINC001184364848 744034950 /nfs/dbraw/zinc/03/49/50/744034950.db2.gz YLSUZQOZUBHCIE-NXEZZACHSA-N 1 1 303.761 1.607 20 10 DDCDMO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@H+](CCF)C1 ZINC001033697342 749726090 /nfs/dbraw/zinc/72/60/90/749726090.db2.gz CEEJFOAGOGZLHL-CYBMUJFWSA-N 1 1 321.356 1.965 20 10 DDCDMO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033697342 749726096 /nfs/dbraw/zinc/72/60/96/749726096.db2.gz CEEJFOAGOGZLHL-CYBMUJFWSA-N 1 1 321.356 1.965 20 10 DDCDMO Oc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccncc3)C2)c(O)c1 ZINC001144515335 772558104 /nfs/dbraw/zinc/55/81/04/772558104.db2.gz KJEZIKSUVYMLLJ-MRXNPFEDSA-N 1 1 302.330 1.772 20 10 DDCDMO Cc1cnc(O[C@@H]2CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)nc1 ZINC001144516345 772558922 /nfs/dbraw/zinc/55/89/22/772558922.db2.gz VYTVQKPQVQHVLS-GFCCVEGCSA-N 1 1 317.345 1.555 20 10 DDCDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001148590770 773542262 /nfs/dbraw/zinc/54/22/62/773542262.db2.gz OZXMNLMIXJRIAJ-CNDDSTCGSA-N 1 1 306.362 1.549 20 10 DDCDMO CN1CCN(C2CC[NH+](Cc3ccc(O)cc3O)CC2)CC1 ZINC001204275666 779852414 /nfs/dbraw/zinc/85/24/14/779852414.db2.gz XWRULMJGADJRIA-UHFFFAOYSA-N 1 1 305.422 1.310 20 10 DDCDMO O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001116510602 780517181 /nfs/dbraw/zinc/51/71/81/780517181.db2.gz UXMVNHYGHWQBPZ-VSKVDJIOSA-N 1 1 302.374 1.808 20 10 DDCDMO CN1C[C@@H](C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)OC1=O ZINC001117742199 780892785 /nfs/dbraw/zinc/89/27/85/780892785.db2.gz PFGQCTPILNVSJQ-MRXNPFEDSA-N 1 1 319.405 1.406 20 10 DDCDMO Oc1ccccc1C[N@H+]1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001275266980 852940491 /nfs/dbraw/zinc/94/04/91/852940491.db2.gz HPECWGKKRVKWJW-WMZOPIPTSA-N 1 1 313.401 1.806 20 10 DDCDMO Oc1ccc(F)cc1CN1CC2(C1)CC[N@@H+](Cc1cn[nH]c1)C2 ZINC001275909394 853929459 /nfs/dbraw/zinc/92/94/59/853929459.db2.gz XOPQBPJXRINSOX-UHFFFAOYSA-N 1 1 316.380 1.962 20 10 DDCDMO Oc1ccc(F)cc1C[NH+]1CC2(C1)CCN(Cc1cn[nH]c1)C2 ZINC001275909394 853929464 /nfs/dbraw/zinc/92/94/64/853929464.db2.gz XOPQBPJXRINSOX-UHFFFAOYSA-N 1 1 316.380 1.962 20 10 DDCDMO COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(C)c1O)C2 ZINC001276080258 854712780 /nfs/dbraw/zinc/71/27/80/854712780.db2.gz MMYPCTYOAIMTST-WBVHZDCISA-N 1 1 320.433 1.827 20 10 DDCDMO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001276360028 855716623 /nfs/dbraw/zinc/71/66/23/855716623.db2.gz OTZIPRJCWUTSQN-KGLIPLIRSA-N 1 1 307.413 1.599 20 10 DDCDMO C[NH+](C)CCN1CCC12C[NH+](Cc1cccc(Cl)c1[O-])C2 ZINC001276380545 857186932 /nfs/dbraw/zinc/18/69/32/857186932.db2.gz ZJEZNNQEDQOPPJ-UHFFFAOYSA-N 1 1 309.841 1.867 20 10 DDCDMO CN1CCCc2cc(C[N@@H+]3CCN4C(=O)COC[C@H]4C3)ccc21 ZINC001138355778 860074667 /nfs/dbraw/zinc/07/46/67/860074667.db2.gz CHPLHWLZRCVNOY-MRXNPFEDSA-N 1 1 315.417 1.112 20 10 DDCDMO CN1CCCc2cc(C[N@H+]3CCN4C(=O)COC[C@H]4C3)ccc21 ZINC001138355778 860074673 /nfs/dbraw/zinc/07/46/73/860074673.db2.gz CHPLHWLZRCVNOY-MRXNPFEDSA-N 1 1 315.417 1.112 20 10 DDCDMO CC(=O)N(C)C1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140285293 860612685 /nfs/dbraw/zinc/61/26/85/860612685.db2.gz HTCKNYLISMLBJK-UHFFFAOYSA-N 1 1 317.433 1.310 20 10 DDCDMO CC[NH+]1CCN(c2ccc(CN3CC[C@](F)(CO)C3)cc2)CC1 ZINC001140302202 860615055 /nfs/dbraw/zinc/61/50/55/860615055.db2.gz MWNLTBJMDDFFBR-GOSISDBHSA-N 1 1 321.440 1.735 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001140850206 860712499 /nfs/dbraw/zinc/71/24/99/860712499.db2.gz GRSUBPPJWNELCZ-MSOLQXFVSA-N 1 1 322.449 1.804 20 10 DDCDMO Cc1ccc(C[N@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001140948029 860743970 /nfs/dbraw/zinc/74/39/70/860743970.db2.gz QDLSITITFCWZPT-CYBMUJFWSA-N 1 1 305.296 1.826 20 10 DDCDMO COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140951028 860744277 /nfs/dbraw/zinc/74/42/77/860744277.db2.gz UVNCTSSTKZLMHI-OKILXGFUSA-N 1 1 321.373 1.485 20 10 DDCDMO COc1ccc(N2CC3(C2)CC[N@@H+](CCN(C)C)C3)cc1F ZINC001277009930 881614772 /nfs/dbraw/zinc/61/47/72/881614772.db2.gz OYGHLCCLZVPGOI-UHFFFAOYSA-N 1 1 307.413 1.908 20 10 DDCDMO COc1ccc(N2CC3(C2)CCN(CC[NH+](C)C)C3)cc1F ZINC001277009930 881614777 /nfs/dbraw/zinc/61/47/77/881614777.db2.gz OYGHLCCLZVPGOI-UHFFFAOYSA-N 1 1 307.413 1.908 20 10 DDCDMO c1cc(N2CCCC2)ccc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001329434009 863664346 /nfs/dbraw/zinc/66/43/46/863664346.db2.gz VDDRMPIBWQQCTL-IBGZPJMESA-N 1 1 314.477 1.766 20 10 DDCDMO CCN(CC(=O)OC)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319701150 866234181 /nfs/dbraw/zinc/23/41/81/866234181.db2.gz CVVLLBFAPANWOR-UHFFFAOYSA-N 1 1 323.412 1.572 20 10 DDCDMO COC(=O)N1CCC[N@@H+](Cc2cc(C)cc(OC)c2O)CC1 ZINC001324408916 867263696 /nfs/dbraw/zinc/26/36/96/867263696.db2.gz MDNPVMCEGVHOSI-UHFFFAOYSA-N 1 1 308.378 1.983 20 10 DDCDMO Cc1cc(O)c(C[NH+]2CCN(Cc3nnc[nH]3)CC2)cc1C ZINC001338291031 869907809 /nfs/dbraw/zinc/90/78/09/869907809.db2.gz XHEKUZMEUVXTSK-UHFFFAOYSA-N 1 1 301.394 1.445 20 10 DDCDMO Oc1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)cc1O ZINC001203883651 870815220 /nfs/dbraw/zinc/81/52/20/870815220.db2.gz LEIXRQLLVMRMLR-GFCCVEGCSA-N 1 1 305.309 1.680 20 10 DDCDMO Oc1ccc(C[N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)cc1O ZINC001203883651 870815227 /nfs/dbraw/zinc/81/52/27/870815227.db2.gz LEIXRQLLVMRMLR-GFCCVEGCSA-N 1 1 305.309 1.680 20 10 DDCDMO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1)C1CCC1 ZINC001204277364 871038038 /nfs/dbraw/zinc/03/80/38/871038038.db2.gz BKNTXXUWBHVVHR-CQSZACIVSA-N 1 1 304.390 1.979 20 10 DDCDMO C[C@]1(CO)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1O ZINC001204324493 871054994 /nfs/dbraw/zinc/05/49/94/871054994.db2.gz LRUZXTHCXAIJFK-ZWKOTPCHSA-N 1 1 304.434 1.852 20 10 DDCDMO OC[C@@H]1CCC[N@H+]1Cc1cc(O)c(Br)cc1O ZINC001236770005 889330018 /nfs/dbraw/zinc/33/00/18/889330018.db2.gz ZNNPZGVTVUDBIC-VIFPVBQESA-N 1 1 302.168 1.817 20 10 DDCDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc(N)cc3)C2)nn1 ZINC001356083172 878860308 /nfs/dbraw/zinc/86/03/08/878860308.db2.gz LSLPSIIKUYZHOT-ZDUSSCGKSA-N 1 1 301.350 1.094 20 10 DDCDMO COC[C@]12COC[C@H]1C[N@@H+](Cc1cc(OC)c(O)cc1O)C2 ZINC001231636984 885772182 /nfs/dbraw/zinc/77/21/82/885772182.db2.gz XFDBXGFRPFMHNG-MLGOLLRUSA-N 1 1 309.362 1.201 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1Cl ZINC001232267087 886198531 /nfs/dbraw/zinc/19/85/31/886198531.db2.gz WDNPYDVILQPPDB-LBPRGKRZSA-N 1 1 312.797 1.571 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCN3CCOC[C@@H]3C2)cc1Cl ZINC001232267087 886198540 /nfs/dbraw/zinc/19/85/40/886198540.db2.gz WDNPYDVILQPPDB-LBPRGKRZSA-N 1 1 312.797 1.571 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@]3(CCNC3=O)C2)cc1Cl ZINC001232266378 886200281 /nfs/dbraw/zinc/20/02/81/886200281.db2.gz MWKLCGVKGBVBGV-OAHLLOKOSA-N 1 1 310.781 1.766 20 10 DDCDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)CCS1 ZINC001232840797 886626150 /nfs/dbraw/zinc/62/61/50/886626150.db2.gz JEIPAMQIUHNHIU-OAHLLOKOSA-N 1 1 324.446 1.939 20 10 DDCDMO CN1C(=O)CCC12CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233015148 886727819 /nfs/dbraw/zinc/72/78/19/886727819.db2.gz DIKLBYLMTOTPNU-UHFFFAOYSA-N 1 1 306.362 1.390 20 10 DDCDMO O=C([C@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1)N1CCCC1 ZINC001233014265 886729075 /nfs/dbraw/zinc/72/90/75/886729075.db2.gz YPZNXZDWKMLJLI-ZDUSSCGKSA-N 1 1 320.389 1.638 20 10 DDCDMO O=C1CCCCN1C1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233016550 886731487 /nfs/dbraw/zinc/73/14/87/886731487.db2.gz HISSKHBCWKWMSC-UHFFFAOYSA-N 1 1 320.389 1.780 20 10 DDCDMO OC[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@@H]1O ZINC001233416028 886985145 /nfs/dbraw/zinc/98/51/45/886985145.db2.gz SVRRMRCZTLNDBJ-JQWIXIFHSA-N 1 1 305.296 1.586 20 10 DDCDMO OC[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@@H]1O ZINC001233416028 886985160 /nfs/dbraw/zinc/98/51/60/886985160.db2.gz SVRRMRCZTLNDBJ-JQWIXIFHSA-N 1 1 305.296 1.586 20 10 DDCDMO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001233452068 887002327 /nfs/dbraw/zinc/00/23/27/887002327.db2.gz JHRUFLLNMMEEFN-ZDUSSCGKSA-N 1 1 316.323 1.927 20 10 DDCDMO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233486538 887020762 /nfs/dbraw/zinc/02/07/62/887020762.db2.gz QPTPEFPBLPJGHM-PKWAYOAASA-N 1 1 321.373 1.967 20 10 DDCDMO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233486538 887020774 /nfs/dbraw/zinc/02/07/74/887020774.db2.gz QPTPEFPBLPJGHM-PKWAYOAASA-N 1 1 321.373 1.967 20 10 DDCDMO C[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2F)C[C@H]1O ZINC001236930871 889428153 /nfs/dbraw/zinc/42/81/53/889428153.db2.gz GRGZSSIMHBEFEB-SUMWQHHRSA-N 1 1 307.413 1.390 20 10 DDCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2F)C[C@H]1O ZINC001236930871 889428160 /nfs/dbraw/zinc/42/81/60/889428160.db2.gz GRGZSSIMHBEFEB-SUMWQHHRSA-N 1 1 307.413 1.390 20 10 DDCDMO CNC(=O)CC[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236938934 889432613 /nfs/dbraw/zinc/43/26/13/889432613.db2.gz NLHSWWTUTJPNRO-UHFFFAOYSA-N 1 1 322.428 1.145 20 10 DDCDMO CNC(=O)CC[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236938934 889432617 /nfs/dbraw/zinc/43/26/17/889432617.db2.gz NLHSWWTUTJPNRO-UHFFFAOYSA-N 1 1 322.428 1.145 20 10 DDCDMO C[NH+](C)C[C@@H]1COCCN1Cc1cc(F)cc(Cl)c1O ZINC001237807233 889862227 /nfs/dbraw/zinc/86/22/27/889862227.db2.gz ZKRKGFSGJYFTFB-GFCCVEGCSA-N 1 1 302.777 1.947 20 10 DDCDMO Cc1ccc(C)c(C[N@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)c1O ZINC001278355689 891557524 /nfs/dbraw/zinc/55/75/24/891557524.db2.gz 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DDCDMO COc1c([O-])c(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000278860356 409102828 /nfs/dbraw/zinc/10/28/28/409102828.db2.gz LWTQMSOQWJHLAF-GXFFZTMASA-N 1 1 310.350 1.902 20 10 DDCDMO COc1c(O)c(C[N@H+](C)C[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000278860356 409102830 /nfs/dbraw/zinc/10/28/30/409102830.db2.gz LWTQMSOQWJHLAF-GXFFZTMASA-N 1 1 310.350 1.902 20 10 DDCDMO COc1c(O)c(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000278860356 409102833 /nfs/dbraw/zinc/10/28/33/409102833.db2.gz LWTQMSOQWJHLAF-GXFFZTMASA-N 1 1 310.350 1.902 20 10 DDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H](C)[C@@H]1C)cc2=O ZINC000293382453 409102861 /nfs/dbraw/zinc/10/28/61/409102861.db2.gz JXVSUCVNHAPIRH-ZJUUUORDSA-N 1 1 304.350 1.452 20 10 DDCDMO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000295043017 409308458 /nfs/dbraw/zinc/30/84/58/409308458.db2.gz MTGWXUHTUVTQSY-SECBINFHSA-N 1 1 324.805 1.602 20 10 DDCDMO C[C@@H]1[C@H](O)CCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000296107821 409431572 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CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](n3cncn3)C2)c1O ZINC000375329711 418629271 /nfs/dbraw/zinc/62/92/71/418629271.db2.gz VRAQVRHSQVYVJF-ZDUSSCGKSA-N 1 1 304.325 1.772 20 10 DDCDMO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1O ZINC000368211627 418704564 /nfs/dbraw/zinc/70/45/64/418704564.db2.gz HUUOYIHZOYNJQW-IAQYHMDHSA-N 1 1 322.380 1.962 20 10 DDCDMO CCOc1cccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)c1O ZINC000370368588 418743835 /nfs/dbraw/zinc/74/38/35/418743835.db2.gz VGUFDVAFDPFGLH-KBPBESRZSA-N 1 1 323.389 1.943 20 10 DDCDMO CCOc1cccc(C[N@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)c1O ZINC000370368588 418743837 /nfs/dbraw/zinc/74/38/37/418743837.db2.gz VGUFDVAFDPFGLH-KBPBESRZSA-N 1 1 323.389 1.943 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1OC ZINC000378444325 418723229 /nfs/dbraw/zinc/72/32/29/418723229.db2.gz PLRJXIGWETUGKU-LLVKDONJSA-N 1 1 308.334 1.046 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1OC ZINC000378444325 418723233 /nfs/dbraw/zinc/72/32/33/418723233.db2.gz PLRJXIGWETUGKU-LLVKDONJSA-N 1 1 308.334 1.046 20 10 DDCDMO CC(C)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3O)C2)CC1 ZINC000361901374 418723733 /nfs/dbraw/zinc/72/37/33/418723733.db2.gz UUCIIFGPANYLTF-QGZVFWFLSA-N 1 1 303.450 1.993 20 10 DDCDMO CC(C)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3O)C2)CC1 ZINC000361901374 418723734 /nfs/dbraw/zinc/72/37/34/418723734.db2.gz UUCIIFGPANYLTF-QGZVFWFLSA-N 1 1 303.450 1.993 20 10 DDCDMO C[C@]1(C2CC[NH+](Cc3cccc(F)c3O)CC2)NC(=O)NC1=O ZINC000371533355 418797499 /nfs/dbraw/zinc/79/74/99/418797499.db2.gz GJQXADYKRVGZCQ-MRXNPFEDSA-N 1 1 321.352 1.341 20 10 DDCDMO COc1ccc(O)c([C@H](C)[NH+]2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000372598926 418886098 /nfs/dbraw/zinc/88/60/98/418886098.db2.gz FCQFIPYIPUQLJF-OWQGQXMQSA-N 1 1 320.433 1.993 20 10 DDCDMO OC[C@@]1([NH2+]Cc2cccc(F)c2O)COc2ccccc2C1 ZINC000529641045 421548847 /nfs/dbraw/zinc/54/88/47/421548847.db2.gz AXRRPOXGLVUNHZ-QGZVFWFLSA-N 1 1 303.333 1.987 20 10 DDCDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000081484210 276205466 /nfs/dbraw/zinc/20/54/66/276205466.db2.gz YCWODQDZKMLECC-MRXNPFEDSA-N 1 1 319.405 1.199 20 10 DDCDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000081484210 276205467 /nfs/dbraw/zinc/20/54/67/276205467.db2.gz YCWODQDZKMLECC-MRXNPFEDSA-N 1 1 319.405 1.199 20 10 DDCDMO COc1cccc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1O ZINC000364654734 278011345 /nfs/dbraw/zinc/01/13/45/278011345.db2.gz OYSXMGSZTVEMSD-KRWDZBQOSA-N 1 1 304.390 1.845 20 10 DDCDMO CC(=O)c1cc(F)cc(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1O ZINC000189566825 518283931 /nfs/dbraw/zinc/28/39/31/518283931.db2.gz SOCSLUWIDIVZHU-VXGBXAGGSA-N 1 1 324.396 1.621 20 10 DDCDMO CC(=O)c1cc(F)cc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1O ZINC000189566825 518283939 /nfs/dbraw/zinc/28/39/39/518283939.db2.gz SOCSLUWIDIVZHU-VXGBXAGGSA-N 1 1 324.396 1.621 20 10 DDCDMO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cc(F)ccc1O ZINC000179983442 519768739 /nfs/dbraw/zinc/76/87/39/519768739.db2.gz HDQHTSJVENVYKM-OAHLLOKOSA-N 1 1 315.385 1.766 20 10 DDCDMO COc1ccc(O)c(CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000188888264 524743023 /nfs/dbraw/zinc/74/30/23/524743023.db2.gz COHQQSBWIBCGEX-CYBMUJFWSA-N 1 1 308.422 1.678 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]2CCN(CC(C)(C)O)[C@H](C)C2)c1 ZINC000188888264 524743035 /nfs/dbraw/zinc/74/30/35/524743035.db2.gz COHQQSBWIBCGEX-CYBMUJFWSA-N 1 1 308.422 1.678 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCN(CC(C)(C)O)[C@H](C)C2)c1 ZINC000188888264 524743046 /nfs/dbraw/zinc/74/30/46/524743046.db2.gz COHQQSBWIBCGEX-CYBMUJFWSA-N 1 1 308.422 1.678 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC(=O)N(C)C)c1 ZINC000273555494 536792902 /nfs/dbraw/zinc/79/29/02/536792902.db2.gz GVGATMZUTLYOLX-NSHDSACASA-N 1 1 308.378 1.698 20 10 DDCDMO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1O ZINC000109773847 696638134 /nfs/dbraw/zinc/63/81/34/696638134.db2.gz TVJCJBAQZKRPNL-UHFFFAOYSA-N 1 1 317.433 1.567 20 10 DDCDMO CCOCC[NH+]1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000164316023 697336122 /nfs/dbraw/zinc/33/61/22/697336122.db2.gz VKFVGPABKUZGMG-UHFFFAOYSA-N 1 1 308.422 1.863 20 10 DDCDMO CCNC(=O)N1CC[NH+](Cc2ccc(N(C)CC)cc2)CC1 ZINC000773733078 697798850 /nfs/dbraw/zinc/79/88/50/697798850.db2.gz GLAZXAPRHCMTHO-UHFFFAOYSA-N 1 1 304.438 1.990 20 10 DDCDMO COC[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 ZINC000249202241 698388627 /nfs/dbraw/zinc/38/86/27/698388627.db2.gz REWPXNGSRPPYGF-QAPCUYQASA-N 1 1 320.433 1.759 20 10 DDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1O ZINC000779200267 698401524 /nfs/dbraw/zinc/40/15/24/698401524.db2.gz YSEKYRJGVGWMBY-DYVFJYSZSA-N 1 1 308.397 1.865 20 10 DDCDMO Cc1cc(Br)cc(C[NH2+]Cc2cn(C)nn2)c1O ZINC000783602039 698856742 /nfs/dbraw/zinc/85/67/42/698856742.db2.gz CSMRLPTZPRZLFG-UHFFFAOYSA-N 1 1 311.183 1.881 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@]3(C)CO)cc2)CC1 ZINC000789557599 699395718 /nfs/dbraw/zinc/39/57/18/699395718.db2.gz LCVBAAHWFDWSTN-SFHVURJKSA-N 1 1 303.450 1.785 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@]3(C)CO)cc2)CC1 ZINC000789557599 699395721 /nfs/dbraw/zinc/39/57/21/699395721.db2.gz LCVBAAHWFDWSTN-SFHVURJKSA-N 1 1 303.450 1.785 20 10 DDCDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000729281756 699475613 /nfs/dbraw/zinc/47/56/13/699475613.db2.gz CZEUJGALRRIIGE-INIZCTEOSA-N 1 1 317.433 1.433 20 10 DDCDMO COc1ccc(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c(O)c1 ZINC000792950104 699724171 /nfs/dbraw/zinc/72/41/71/699724171.db2.gz HPMPJRPDOHNKBY-AWEZNQCLSA-N 1 1 319.405 1.684 20 10 DDCDMO CN1CCN(c2ccc(C[NH+]3CC([C@@H]4CCOC4)C3)cc2)CC1 ZINC000793258710 699744626 /nfs/dbraw/zinc/74/46/26/699744626.db2.gz MUIMHAWBPBHNHR-QGZVFWFLSA-N 1 1 315.461 1.907 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)c(O)cc1C ZINC000793708518 699773717 /nfs/dbraw/zinc/77/37/17/699773717.db2.gz PWQCSXWVLBSQQK-GFCCVEGCSA-N 1 1 313.419 1.576 20 10 DDCDMO C[N@H+]1CC[C@@]2(CCN(Cc3cc4c(cc3O)OC[C@H]4O)C2)C1 ZINC000793762663 699777583 /nfs/dbraw/zinc/77/75/83/699777583.db2.gz AVIGSVOJPCSIRY-NVXWUHKLSA-N 1 1 304.390 1.346 20 10 DDCDMO C[NH+]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000741092115 699815547 /nfs/dbraw/zinc/81/55/47/699815547.db2.gz VTHPPQRRRKSLCH-UHFFFAOYSA-N 1 1 300.406 1.520 20 10 DDCDMO Cc1ccc(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)c(O)c1O ZINC000762639904 700900945 /nfs/dbraw/zinc/90/09/45/700900945.db2.gz DFQGZMXTRKHDPG-CYBMUJFWSA-N 1 1 322.405 1.637 20 10 DDCDMO COc1cccc(O)c1CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000769381349 701242899 /nfs/dbraw/zinc/24/28/99/701242899.db2.gz NNWCVEQYKYWVCV-HNNXBMFYSA-N 1 1 319.449 1.613 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)cc1OC ZINC000840174259 702011721 /nfs/dbraw/zinc/01/17/21/702011721.db2.gz JTRZRXVDKKCKCW-LLVKDONJSA-N 1 1 308.378 1.320 20 10 DDCDMO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000816897778 702212306 /nfs/dbraw/zinc/21/23/06/702212306.db2.gz MEECDPZOXOKJAR-OAHLLOKOSA-N 1 1 317.433 1.481 20 10 DDCDMO CCOc1cccc(C[N@H+]2CCN(C)C[C@@H](C(=O)OC)C2)c1O ZINC000840958770 702293389 /nfs/dbraw/zinc/29/33/89/702293389.db2.gz SCSAZTDDROWRNN-CQSZACIVSA-N 1 1 322.405 1.328 20 10 DDCDMO CCOc1cccc(CN2CC[N@H+](C)C[C@@H](C(=O)OC)C2)c1O ZINC000840958770 702293393 /nfs/dbraw/zinc/29/33/93/702293393.db2.gz SCSAZTDDROWRNN-CQSZACIVSA-N 1 1 322.405 1.328 20 10 DDCDMO CCOc1cccc(CN2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)c1O ZINC000840958770 702293397 /nfs/dbraw/zinc/29/33/97/702293397.db2.gz SCSAZTDDROWRNN-CQSZACIVSA-N 1 1 322.405 1.328 20 10 DDCDMO COC(=O)[C@H]1CN(Cc2cc(Cl)ccc2O)CC[N@@H+](C)C1 ZINC000840956881 702294053 /nfs/dbraw/zinc/29/40/53/702294053.db2.gz GGDYYQZZCRZWHX-GFCCVEGCSA-N 1 1 312.797 1.582 20 10 DDCDMO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000840956881 702294055 /nfs/dbraw/zinc/29/40/55/702294055.db2.gz GGDYYQZZCRZWHX-GFCCVEGCSA-N 1 1 312.797 1.582 20 10 DDCDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000840956881 702294059 /nfs/dbraw/zinc/29/40/59/702294059.db2.gz GGDYYQZZCRZWHX-GFCCVEGCSA-N 1 1 312.797 1.582 20 10 DDCDMO COCCn1cc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000841045255 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CCOc1ccc(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c(O)c1 ZINC000841892179 702608044 /nfs/dbraw/zinc/60/80/44/702608044.db2.gz UDFIHBBVUNNZEF-KBPBESRZSA-N 1 1 308.422 1.678 20 10 DDCDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cccc(Cl)c1O ZINC000843121724 702823878 /nfs/dbraw/zinc/82/38/78/702823878.db2.gz IWTKCEFQRHORQU-ZDUSSCGKSA-N 1 1 306.797 1.926 20 10 DDCDMO CCN1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1=O ZINC000846097786 703237642 /nfs/dbraw/zinc/23/76/42/703237642.db2.gz UZRORSAAOJHPIL-SNVBAGLBSA-N 1 1 323.349 1.267 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCN2CCCC2=O)c1 ZINC000846205449 703250939 /nfs/dbraw/zinc/25/09/39/703250939.db2.gz HEQUPUVOOGHBEV-NSHDSACASA-N 1 1 306.362 1.452 20 10 DDCDMO CN(C)c1ccc(CNC(=O)CN2CCC(CC[NH3+])CC2)cc1 ZINC000846226756 703253703 /nfs/dbraw/zinc/25/37/03/703253703.db2.gz BLLLNHQCIPGSPF-UHFFFAOYSA-N 1 1 318.465 1.430 20 10 DDCDMO COc1ccc(N(C)CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC000848243847 703531391 /nfs/dbraw/zinc/53/13/91/703531391.db2.gz 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/nfs/dbraw/zinc/17/72/12/701177212.db2.gz HIOKIMZEHXUDTG-NHYWBVRUSA-N 1 1 321.373 1.403 20 10 DDCDMO CCOc1ccc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c(O)c1 ZINC000768931962 701216796 /nfs/dbraw/zinc/21/67/96/701216796.db2.gz XMZWFJBQDRMVBZ-AWEZNQCLSA-N 1 1 319.405 1.781 20 10 DDCDMO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815118855 701803846 /nfs/dbraw/zinc/80/38/46/701803846.db2.gz SXYHOAJRCGAYCG-OAHLLOKOSA-N 1 1 306.406 1.825 20 10 DDCDMO COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815118855 701803852 /nfs/dbraw/zinc/80/38/52/701803852.db2.gz SXYHOAJRCGAYCG-OAHLLOKOSA-N 1 1 306.406 1.825 20 10 DDCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1CN(C)CCO1 ZINC000816557556 702112714 /nfs/dbraw/zinc/11/27/14/702112714.db2.gz UXTVEQZXTUZGKP-LKFCYVNXSA-N 1 1 302.777 1.993 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[NH+](C)CC1 ZINC000840488386 702126869 /nfs/dbraw/zinc/12/68/69/702126869.db2.gz LTSZIUQDCCSHRT-HNNXBMFYSA-N 1 1 318.465 1.949 20 10 DDCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(C(N)=O)cc2)cc1 ZINC000841044218 702320941 /nfs/dbraw/zinc/32/09/41/702320941.db2.gz ULTDIJYOOPEGAF-QGZVFWFLSA-N 1 1 312.417 1.641 20 10 DDCDMO CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[NH2+]C1 ZINC000843060121 702810368 /nfs/dbraw/zinc/81/03/68/702810368.db2.gz DONKAOAYPXRZTO-KRWDZBQOSA-N 1 1 303.450 1.955 20 10 DDCDMO COc1ccc(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1 ZINC000843753382 702919845 /nfs/dbraw/zinc/91/98/45/702919845.db2.gz PVJQQLVFBJBMDP-RHSMWYFYSA-N 1 1 317.433 1.684 20 10 DDCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](O)C3)cc2)CC1 ZINC000879609083 706736252 /nfs/dbraw/zinc/73/62/52/706736252.db2.gz MGUNHEYATNNIKR-MSOLQXFVSA-N 1 1 320.433 1.229 20 10 DDCDMO O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000848524452 703561170 /nfs/dbraw/zinc/56/11/70/703561170.db2.gz FWBQHXJTRXOQCJ-OAHLLOKOSA-N 1 1 321.377 1.643 20 10 DDCDMO CCc1cccc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000848912300 703602578 /nfs/dbraw/zinc/60/25/78/703602578.db2.gz DOMRKTYKEQHTKH-AWEZNQCLSA-N 1 1 312.435 1.420 20 10 DDCDMO c1c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)nn2c1CCC2 ZINC000850069338 703701163 /nfs/dbraw/zinc/70/11/63/703701163.db2.gz LOUOWMDPSFYIKP-UHFFFAOYSA-N 1 1 312.417 1.956 20 10 DDCDMO COc1ccc(N2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000852746653 704112273 /nfs/dbraw/zinc/11/22/73/704112273.db2.gz PCOHAHPSUULFEV-KRWDZBQOSA-N 1 1 317.433 1.338 20 10 DDCDMO COc1ccc(N2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000852746655 704112535 /nfs/dbraw/zinc/11/25/35/704112535.db2.gz PCOHAHPSUULFEV-QGZVFWFLSA-N 1 1 317.433 1.338 20 10 DDCDMO Oc1cc2c(cc1CN1CC[NH+]([C@H]3CCOC3)CC1)OCO2 ZINC000853551047 704266134 /nfs/dbraw/zinc/26/61/34/704266134.db2.gz QRDXYIDASDBOMF-ZDUSSCGKSA-N 1 1 306.362 1.027 20 10 DDCDMO Oc1cc2c(cc1C[NH+]1CCN([C@H]3CCOC3)CC1)OCO2 ZINC000853551047 704266135 /nfs/dbraw/zinc/26/61/35/704266135.db2.gz QRDXYIDASDBOMF-ZDUSSCGKSA-N 1 1 306.362 1.027 20 10 DDCDMO COc1ccc(N2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC000855229429 704474261 /nfs/dbraw/zinc/47/42/61/704474261.db2.gz KGOBZUFVHNBHDB-AWEZNQCLSA-N 1 1 305.422 1.730 20 10 DDCDMO C[C@@H](NC(=O)NCCC[NH+]1CCOCC1)c1ccccc1O ZINC000874981414 705245718 /nfs/dbraw/zinc/24/57/18/705245718.db2.gz NVILWAXSSIHBRJ-CYBMUJFWSA-N 1 1 307.394 1.475 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCOC[C@H]2OC)c1 ZINC000834880776 707145901 /nfs/dbraw/zinc/14/59/01/707145901.db2.gz QGANIAYXSIPEJL-DETPVDSQSA-N 1 1 323.389 1.881 20 10 DDCDMO COc1cccc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1O ZINC000824654427 705500434 /nfs/dbraw/zinc/50/04/34/705500434.db2.gz OBDUYCVKSLPDFK-ZNMIVQPWSA-N 1 1 307.390 1.763 20 10 DDCDMO Cc1cccc(C[NH+]2CCN([C@H]3CCNC(=O)CC3)CC2)c1O ZINC000825148018 705609192 /nfs/dbraw/zinc/60/91/92/705609192.db2.gz OVGVPPQROMLEIR-MRXNPFEDSA-N 1 1 317.433 1.487 20 10 DDCDMO C[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CC[N@H+]1CCO ZINC000862334095 705697612 /nfs/dbraw/zinc/69/76/12/705697612.db2.gz YTNFXYOBVOLKFW-LBPRGKRZSA-N 1 1 313.392 1.529 20 10 DDCDMO C[N@@H+](Cc1ccc(Br)cc1O)[C@@]1(CO)CCOC1 ZINC000862427574 705715967 /nfs/dbraw/zinc/71/59/67/705715967.db2.gz BBUJREFWVIJKCP-CYBMUJFWSA-N 1 1 316.195 1.738 20 10 DDCDMO COc1c(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)ccc1[N+](=O)[O-] ZINC000862528673 705726980 /nfs/dbraw/zinc/72/69/80/705726980.db2.gz GKJPHIPHILKEQM-BLLLJJGKSA-N 1 1 322.361 1.903 20 10 DDCDMO COc1c(O)c(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)ccc1[N+](=O)[O-] ZINC000862528673 705726982 /nfs/dbraw/zinc/72/69/82/705726982.db2.gz GKJPHIPHILKEQM-BLLLJJGKSA-N 1 1 322.361 1.903 20 10 DDCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000876557814 705757733 /nfs/dbraw/zinc/75/77/33/705757733.db2.gz DVVBFRWLHPJTTH-HNNXBMFYSA-N 1 1 318.417 1.771 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000827141752 705938649 /nfs/dbraw/zinc/93/86/49/705938649.db2.gz WNUHTYHJNLVYSM-IUODEOHRSA-N 1 1 304.390 1.891 20 10 DDCDMO C[C@@H]1C[NH+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H](C)C1O ZINC000827152385 705940915 /nfs/dbraw/zinc/94/09/15/705940915.db2.gz SXZWSGTXUZXKJK-HZPDHXFCSA-N 1 1 317.477 1.887 20 10 DDCDMO COC(=O)N(C)CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000827335747 705978359 /nfs/dbraw/zinc/97/83/59/705978359.db2.gz XUFDAIAKWJUWRB-UHFFFAOYSA-N 1 1 321.421 1.653 20 10 DDCDMO COCC[N@H+](Cc1ccc(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000877531077 706134206 /nfs/dbraw/zinc/13/42/06/706134206.db2.gz LLUXUDOKPSEVSE-CQSZACIVSA-N 1 1 313.419 1.336 20 10 DDCDMO COCC[N@@H+](Cc1ccc(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000877531077 706134207 /nfs/dbraw/zinc/13/42/07/706134207.db2.gz LLUXUDOKPSEVSE-CQSZACIVSA-N 1 1 313.419 1.336 20 10 DDCDMO CCn1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)nn1 ZINC000877627417 706163765 /nfs/dbraw/zinc/16/37/65/706163765.db2.gz QHBCVPBXNBEFFN-UHFFFAOYSA-N 1 1 315.421 1.549 20 10 DDCDMO Cc1cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)ccc1N1CCCCC1 ZINC000828549500 706198132 /nfs/dbraw/zinc/19/81/32/706198132.db2.gz DRIUKFGDFVUMIQ-IRXDYDNUSA-N 1 1 304.434 1.913 20 10 DDCDMO COc1cccc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1O ZINC000877789926 706214910 /nfs/dbraw/zinc/21/49/10/706214910.db2.gz DCEGLPQNMKMXNW-QWHCGFSZSA-N 1 1 311.403 1.267 20 10 DDCDMO COc1cccc(O)c1C[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000877794601 706217794 /nfs/dbraw/zinc/21/77/94/706217794.db2.gz XABHWAQVPXMAPL-VXGBXAGGSA-N 1 1 311.403 1.267 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000877794601 706217796 /nfs/dbraw/zinc/21/77/96/706217796.db2.gz XABHWAQVPXMAPL-VXGBXAGGSA-N 1 1 311.403 1.267 20 10 DDCDMO COC[C@@]1(CO)CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000832395928 706903942 /nfs/dbraw/zinc/90/39/42/706903942.db2.gz XCQQLPPYMIMXFV-INIZCTEOSA-N 1 1 311.353 1.565 20 10 DDCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000835044723 707161573 /nfs/dbraw/zinc/16/15/73/707161573.db2.gz DFPBGACQVLMHIT-ABCZVMIZSA-N 1 1 309.435 1.129 20 10 DDCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000835044723 707161574 /nfs/dbraw/zinc/16/15/74/707161574.db2.gz DFPBGACQVLMHIT-ABCZVMIZSA-N 1 1 309.435 1.129 20 10 DDCDMO C[C@H]1C[N@@H+](CCO)CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835053025 707162913 /nfs/dbraw/zinc/16/29/13/707162913.db2.gz AEOFAVLCLIHNKP-APHBUQMISA-N 1 1 303.450 1.764 20 10 DDCDMO Nc1cnc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000873213415 707771753 /nfs/dbraw/zinc/77/17/53/707771753.db2.gz YRCWJHLFTMUKAB-UHFFFAOYSA-N 1 1 317.368 1.324 20 10 DDCDMO O=C(CC[NH2+]Cc1cc(F)cc(F)c1O)N1CCOCC1 ZINC000882907965 707846401 /nfs/dbraw/zinc/84/64/01/707846401.db2.gz XGYKMBIEIILJMQ-UHFFFAOYSA-N 1 1 300.305 1.009 20 10 DDCDMO CS(=O)(=O)C1(C[NH2+]Cc2cc(F)cc(F)c2O)CCC1 ZINC000883107704 707929100 /nfs/dbraw/zinc/92/91/00/707929100.db2.gz HQRBIWPHZDPKBV-UHFFFAOYSA-N 1 1 305.346 1.727 20 10 DDCDMO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2F)C1 ZINC000896637921 708104293 /nfs/dbraw/zinc/10/42/93/708104293.db2.gz RJTYRVIECMNOOH-WDEREUQCSA-N 1 1 301.383 1.977 20 10 DDCDMO CC[N@@H+](CCC(N)=O)Cc1c(O)cccc1Br ZINC000896707551 708125693 /nfs/dbraw/zinc/12/56/93/708125693.db2.gz UUCJUYFHCUZSME-UHFFFAOYSA-N 1 1 301.184 1.852 20 10 DDCDMO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000897558272 708373332 /nfs/dbraw/zinc/37/33/32/708373332.db2.gz HDQPRYWREYAMJP-MRXNPFEDSA-N 1 1 303.362 1.708 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000897558272 708373336 /nfs/dbraw/zinc/37/33/36/708373336.db2.gz HDQPRYWREYAMJP-MRXNPFEDSA-N 1 1 303.362 1.708 20 10 DDCDMO COc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c(O)c1OC ZINC000897619974 708396938 /nfs/dbraw/zinc/39/69/38/708396938.db2.gz AWVROPTWEPJEQM-SUMWQHHRSA-N 1 1 306.406 1.793 20 10 DDCDMO COc1ccc(C[N@@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)c(O)c1OC ZINC000897619974 708396953 /nfs/dbraw/zinc/39/69/53/708396953.db2.gz AWVROPTWEPJEQM-SUMWQHHRSA-N 1 1 306.406 1.793 20 10 DDCDMO COc1ccc(C[N@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)c(O)c1OC ZINC000897619974 708396956 /nfs/dbraw/zinc/39/69/56/708396956.db2.gz AWVROPTWEPJEQM-SUMWQHHRSA-N 1 1 306.406 1.793 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3CCO)c(O)cc1C ZINC000902644842 710837894 /nfs/dbraw/zinc/83/78/94/710837894.db2.gz QRJHUPSYJHIIRJ-JKSUJKDBSA-N 1 1 320.433 1.740 20 10 DDCDMO COc1cc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(O)cc1C ZINC000902644842 710837901 /nfs/dbraw/zinc/83/79/01/710837901.db2.gz QRJHUPSYJHIIRJ-JKSUJKDBSA-N 1 1 320.433 1.740 20 10 DDCDMO COc1cc(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c(O)cc1C ZINC000902644842 710837907 /nfs/dbraw/zinc/83/79/07/710837907.db2.gz QRJHUPSYJHIIRJ-JKSUJKDBSA-N 1 1 320.433 1.740 20 10 DDCDMO COc1cc(C)cc(C[N@H+](CCS(C)(=O)=O)C(C)C)c1O ZINC000894062167 710947844 /nfs/dbraw/zinc/94/78/44/710947844.db2.gz RKWOYINAICAAIQ-UHFFFAOYSA-N 1 1 315.435 1.964 20 10 DDCDMO COc1cc(C)cc(C[N@@H+](CCS(C)(=O)=O)C(C)C)c1O ZINC000894062167 710947848 /nfs/dbraw/zinc/94/78/48/710947848.db2.gz RKWOYINAICAAIQ-UHFFFAOYSA-N 1 1 315.435 1.964 20 10 DDCDMO C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1cc(F)cc(F)c1O ZINC000903280277 711086823 /nfs/dbraw/zinc/08/68/23/711086823.db2.gz MJIPTACHCORTNQ-BONVTDFDSA-N 1 1 316.348 1.014 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cn(C)nc2OC)c1 ZINC000903337166 711097718 /nfs/dbraw/zinc/09/77/18/711097718.db2.gz IEIHAFKHTIQJCR-SNVBAGLBSA-N 1 1 319.361 1.772 20 10 DDCDMO COc1cc(C)cc(C[NH2+][C@@H](C)CCN2CCN(C)CC2)c1O ZINC000894482474 711143275 /nfs/dbraw/zinc/14/32/75/711143275.db2.gz GHZZIGRCEDEGAT-HNNXBMFYSA-N 1 1 321.465 1.825 20 10 DDCDMO COc1ccc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)c(O)c1OC ZINC000894974352 711346676 /nfs/dbraw/zinc/34/66/76/711346676.db2.gz FYGWOJUQKDTQBE-LBPRGKRZSA-N 1 1 311.378 1.381 20 10 DDCDMO COc1ccc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)c(O)c1OC ZINC000894974352 711346678 /nfs/dbraw/zinc/34/66/78/711346678.db2.gz FYGWOJUQKDTQBE-LBPRGKRZSA-N 1 1 311.378 1.381 20 10 DDCDMO Oc1c(F)cc(F)cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000895345534 711490532 /nfs/dbraw/zinc/49/05/32/711490532.db2.gz VIFDABRHKSMYPX-CQSZACIVSA-N 1 1 312.360 1.701 20 10 DDCDMO Oc1c(F)cc(F)cc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000895345534 711490533 /nfs/dbraw/zinc/49/05/33/711490533.db2.gz VIFDABRHKSMYPX-CQSZACIVSA-N 1 1 312.360 1.701 20 10 DDCDMO Oc1c(F)cc(F)cc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000895345530 711490599 /nfs/dbraw/zinc/49/05/99/711490599.db2.gz VIFDABRHKSMYPX-AWEZNQCLSA-N 1 1 312.360 1.701 20 10 DDCDMO Oc1c(F)cc(F)cc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000895345530 711490600 /nfs/dbraw/zinc/49/06/00/711490600.db2.gz VIFDABRHKSMYPX-AWEZNQCLSA-N 1 1 312.360 1.701 20 10 DDCDMO Nc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nn1 ZINC000904333781 711842564 /nfs/dbraw/zinc/84/25/64/711842564.db2.gz GKPRQGSOFAAKKD-HNNXBMFYSA-N 1 1 314.389 1.946 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]CC3(O)CCCC3)cc2)CC1 ZINC000905426245 712034695 /nfs/dbraw/zinc/03/46/95/712034695.db2.gz GJJGNIQUKPRZLB-UHFFFAOYSA-N 1 1 303.450 1.833 20 10 DDCDMO [NH3+]C[C@H]1CN(Cc2c(O)cc(Br)cc2F)C[C@@H]1O ZINC001206530377 743678363 /nfs/dbraw/zinc/67/83/63/743678363.db2.gz HRFRPWFZNUCUKD-MADCSZMMSA-N 1 1 319.174 1.045 20 10 DDCDMO O=S1(=O)CCCN1CCC[NH2+]Cc1ccc(Cl)cc1O ZINC001183206369 743803402 /nfs/dbraw/zinc/80/34/02/743803402.db2.gz PNTJXVIEFKTKOJ-UHFFFAOYSA-N 1 1 318.826 1.561 20 10 DDCDMO C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+]1CCO ZINC001089068351 744485207 /nfs/dbraw/zinc/48/52/07/744485207.db2.gz ZMVROOKBXUPCHJ-MFKMUULPSA-N 1 1 319.365 1.034 20 10 DDCDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016366996 756959139 /nfs/dbraw/zinc/95/91/39/756959139.db2.gz GPXGWDBOLNGWAE-CYBMUJFWSA-N 1 1 319.365 1.300 20 10 DDCDMO COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccn[nH]3)C2)cc1C ZINC001018542131 758955536 /nfs/dbraw/zinc/95/55/36/758955536.db2.gz PTCANGGXMCWPQY-AWEZNQCLSA-N 1 1 314.389 1.731 20 10 DDCDMO COC[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)Cc2cn(C)nc21 ZINC001144510058 772557207 /nfs/dbraw/zinc/55/72/07/772557207.db2.gz QKAVEFAHROTLSO-NSHDSACASA-N 1 1 319.361 1.283 20 10 DDCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)c(O)c1 ZINC001144516093 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406832727 /nfs/dbraw/zinc/83/27/27/406832727.db2.gz NLEFLOLKTGSDLN-UHFFFAOYSA-N 1 1 305.422 1.589 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](C3OCCO3)C2)cc1OC ZINC000271125518 407529432 /nfs/dbraw/zinc/52/94/32/407529432.db2.gz ZRBFEFSJTAJDKV-GFCCVEGCSA-N 1 1 323.389 1.994 20 10 DDCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000266183838 407530263 /nfs/dbraw/zinc/53/02/63/407530263.db2.gz VMYQIHHJVJUSEF-QGZVFWFLSA-N 1 1 319.449 1.820 20 10 DDCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000266183838 407530272 /nfs/dbraw/zinc/53/02/72/407530272.db2.gz VMYQIHHJVJUSEF-QGZVFWFLSA-N 1 1 319.449 1.820 20 10 DDCDMO CCC[N@@H+](CCCOC(=O)NC(N)=O)Cc1ccccc1O ZINC000271402102 407670561 /nfs/dbraw/zinc/67/05/61/407670561.db2.gz UFHMAKVYLMBUTH-UHFFFAOYSA-N 1 1 309.366 1.799 20 10 DDCDMO Cc1cccc(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1O ZINC000271710771 407729574 /nfs/dbraw/zinc/72/95/74/407729574.db2.gz ASHHKTXWJCQZQP-CYBMUJFWSA-N 1 1 312.435 1.462 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+](C)CC(=O)N2CCOCC2)c1 ZINC000179677111 407821245 /nfs/dbraw/zinc/82/12/45/407821245.db2.gz DLQKHYPADBQIAW-UHFFFAOYSA-N 1 1 308.378 1.082 20 10 DDCDMO CCOc1ccc(O)c(C[N@@H+](C)CC(=O)N2CCOCC2)c1 ZINC000179677111 407821251 /nfs/dbraw/zinc/82/12/51/407821251.db2.gz DLQKHYPADBQIAW-UHFFFAOYSA-N 1 1 308.378 1.082 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](CN3CCOCC3)C1)OCO2 ZINC000172935418 407853999 /nfs/dbraw/zinc/85/39/99/407853999.db2.gz QVMTYTLDZPKPPP-CYBMUJFWSA-N 1 1 320.389 1.275 20 10 DDCDMO CN(C)c1ccc(C[N@@H+](CCO)C2CCN(C)CC2)cc1F ZINC000155497553 408172983 /nfs/dbraw/zinc/17/29/83/408172983.db2.gz WTTYXBCKQUOAQM-UHFFFAOYSA-N 1 1 309.429 1.780 20 10 DDCDMO CN(C)c1ccc(CN(CCO)C2CC[NH+](C)CC2)cc1F ZINC000155497553 408172988 /nfs/dbraw/zinc/17/29/88/408172988.db2.gz WTTYXBCKQUOAQM-UHFFFAOYSA-N 1 1 309.429 1.780 20 10 DDCDMO COc1cccc(CNC(=O)CCCC[NH+]2CCOCC2)c1O ZINC000178252359 408793287 /nfs/dbraw/zinc/79/32/87/408793287.db2.gz MSZGYAUOIHAPRB-UHFFFAOYSA-N 1 1 322.405 1.520 20 10 DDCDMO Cc1cc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)ccc1N(C)C ZINC000292703164 409039833 /nfs/dbraw/zinc/03/98/33/409039833.db2.gz DJCWVGVVDVDRLP-QGZVFWFLSA-N 1 1 321.465 1.186 20 10 DDCDMO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278168585 409075737 /nfs/dbraw/zinc/07/57/37/409075737.db2.gz FPIOKRXIPGTFES-VIFPVBQESA-N 1 1 311.338 1.123 20 10 DDCDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278168585 409075738 /nfs/dbraw/zinc/07/57/38/409075738.db2.gz FPIOKRXIPGTFES-VIFPVBQESA-N 1 1 311.338 1.123 20 10 DDCDMO COC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278257066 409077220 /nfs/dbraw/zinc/07/72/20/409077220.db2.gz PUKSYLDGGMDWMR-UHFFFAOYSA-N 1 1 324.333 1.694 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000278292738 409079347 /nfs/dbraw/zinc/07/93/47/409079347.db2.gz CTTQVESLHXIROS-GFCCVEGCSA-N 1 1 310.350 1.902 20 10 DDCDMO COc1c(O)c(C[N@H+]2CC[C@@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000278292738 409079350 /nfs/dbraw/zinc/07/93/50/409079350.db2.gz CTTQVESLHXIROS-GFCCVEGCSA-N 1 1 310.350 1.902 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1 ZINC000278709413 409087129 /nfs/dbraw/zinc/08/71/29/409087129.db2.gz OJFHQUIYLKJVBH-HOCLYGCPSA-N 1 1 317.389 1.342 20 10 DDCDMO Cc1cccc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1O ZINC000289759199 409285358 /nfs/dbraw/zinc/28/53/58/409285358.db2.gz QXLJCBILMIFVRM-GUYCJALGSA-N 1 1 317.389 1.653 20 10 DDCDMO CCOc1cccc(C[N@H+]2CC[C@@](COC)(C(=O)OC)C2)c1O ZINC000295044952 409308866 /nfs/dbraw/zinc/30/88/66/409308866.db2.gz NAFDFNOHWIVMBA-QGZVFWFLSA-N 1 1 323.389 1.802 20 10 DDCDMO OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(F)c1O ZINC000317328073 409865279 /nfs/dbraw/zinc/86/52/79/409865279.db2.gz PCIDHRQUPKOLOL-AWEZNQCLSA-N 1 1 305.353 1.887 20 10 DDCDMO C[C@H](CNC(=O)NCc1ccc(N)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001120548313 782017903 /nfs/dbraw/zinc/01/79/03/782017903.db2.gz ARUQXSJQSOPXJR-MCIONIFRSA-N 1 1 320.437 1.566 20 10 DDCDMO C[C@H](CNC(=O)NCc1ccc(N)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001120548313 782017913 /nfs/dbraw/zinc/01/79/13/782017913.db2.gz ARUQXSJQSOPXJR-MCIONIFRSA-N 1 1 320.437 1.566 20 10 DDCDMO CCN1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1=O ZINC000191537942 222103878 /nfs/dbraw/zinc/10/38/78/222103878.db2.gz STBUVRMCLUMDIW-UHFFFAOYSA-N 1 1 317.433 1.577 20 10 DDCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c1O ZINC000368247483 418709770 /nfs/dbraw/zinc/70/97/70/418709770.db2.gz ZVKHDPRBMXUXMT-DGCLKSJQSA-N 1 1 306.337 1.302 20 10 DDCDMO O=C1NC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]12 ZINC000367923657 418657747 /nfs/dbraw/zinc/65/77/47/418657747.db2.gz GPFBIMQMYZDDQJ-RDJZCZTQSA-N 1 1 315.417 1.091 20 10 DDCDMO OC[C@]1(F)CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000368045558 418679369 /nfs/dbraw/zinc/67/93/69/418679369.db2.gz YNAPFGKQOIQMOS-KRWDZBQOSA-N 1 1 308.397 1.820 20 10 DDCDMO O=C([C@H]1CCCO1)N1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000378499809 418724618 /nfs/dbraw/zinc/72/46/18/418724618.db2.gz QLRXJEOPTKKIJO-MRXNPFEDSA-N 1 1 322.380 1.745 20 10 DDCDMO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378540808 418724794 /nfs/dbraw/zinc/72/47/94/418724794.db2.gz KZQFCFZSWGAJMP-HHAVJRIZSA-N 1 1 302.374 1.854 20 10 DDCDMO C[N@@H+](CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccccc1O ZINC000372319444 418854759 /nfs/dbraw/zinc/85/47/59/418854759.db2.gz TXBHJGKJAXEPOP-HNNXBMFYSA-N 1 1 304.390 1.461 20 10 DDCDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[S@@](=O)C1 ZINC000365442688 418860938 /nfs/dbraw/zinc/86/09/38/418860938.db2.gz LAAIFWSTZYDFDB-IVZQSRNASA-N 1 1 322.474 1.724 20 10 DDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[S@@](=O)C1 ZINC000365442688 418860939 /nfs/dbraw/zinc/86/09/39/418860939.db2.gz LAAIFWSTZYDFDB-IVZQSRNASA-N 1 1 322.474 1.724 20 10 DDCDMO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)c2cc(OC)ccc2O)C1 ZINC000372587834 418886429 /nfs/dbraw/zinc/88/64/29/418886429.db2.gz AGVRHPFNZLCKEK-JQWIXIFHSA-N 1 1 314.407 1.085 20 10 DDCDMO Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c(O)c1O ZINC000182842649 526160077 /nfs/dbraw/zinc/16/00/77/526160077.db2.gz LJFIDOMMJIDJPF-CYBMUJFWSA-N 1 1 322.405 1.373 20 10 DDCDMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000289399569 536099105 /nfs/dbraw/zinc/09/91/05/536099105.db2.gz ONPHHTKICUGKPF-CYBMUJFWSA-N 1 1 316.398 1.387 20 10 DDCDMO COc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000745859180 699998542 /nfs/dbraw/zinc/99/85/42/699998542.db2.gz YJSGCNMVZKVRAV-DGCLKSJQSA-N 1 1 307.394 1.683 20 10 DDCDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093899053 696601718 /nfs/dbraw/zinc/60/17/18/696601718.db2.gz DKPPAELBERFYKJ-AWEZNQCLSA-N 1 1 305.422 1.337 20 10 DDCDMO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000162030270 697326122 /nfs/dbraw/zinc/32/61/22/697326122.db2.gz RRAGRBBBKPUDMN-MRXNPFEDSA-N 1 1 303.406 1.363 20 10 DDCDMO OC[C@@]1([NH2+]Cc2cccc(Br)c2O)CCOC1 ZINC000184197520 697500342 /nfs/dbraw/zinc/50/03/42/697500342.db2.gz CXAZKPAWMUHWAZ-LBPRGKRZSA-N 1 1 302.168 1.396 20 10 DDCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000773756917 697800882 /nfs/dbraw/zinc/80/08/82/697800882.db2.gz QRLJMSOPTOJOAM-DGCLKSJQSA-N 1 1 324.446 1.582 20 10 DDCDMO COc1c(O)c(C[NH+]2CCC(NC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000774862026 697936078 /nfs/dbraw/zinc/93/60/78/697936078.db2.gz HNWRVQRZKJFTOJ-UHFFFAOYSA-N 1 1 323.349 1.410 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000775057327 697958514 /nfs/dbraw/zinc/95/85/14/697958514.db2.gz ODESZAAMDSXTDP-QWRGUYRKSA-N 1 1 310.350 1.902 20 10 DDCDMO COc1c(O)c(C[N@H+]2CCC[C@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000775057327 697958516 /nfs/dbraw/zinc/95/85/16/697958516.db2.gz ODESZAAMDSXTDP-QWRGUYRKSA-N 1 1 310.350 1.902 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2CCN(CCO)C(C)(C)C2)c1 ZINC000783713420 698869083 /nfs/dbraw/zinc/86/90/83/698869083.db2.gz BHQCRFREITZSNG-UHFFFAOYSA-N 1 1 308.422 1.679 20 10 DDCDMO CCOc1ccc(O)c(CN2CC[N@H+](CCO)C(C)(C)C2)c1 ZINC000783713420 698869088 /nfs/dbraw/zinc/86/90/88/698869088.db2.gz BHQCRFREITZSNG-UHFFFAOYSA-N 1 1 308.422 1.679 20 10 DDCDMO CCOc1ccc(O)c(CN2CC[N@@H+](CCO)C(C)(C)C2)c1 ZINC000783713420 698869093 /nfs/dbraw/zinc/86/90/93/698869093.db2.gz BHQCRFREITZSNG-UHFFFAOYSA-N 1 1 308.422 1.679 20 10 DDCDMO Cc1nnc(CN2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)[nH]1 ZINC000785763455 699099420 /nfs/dbraw/zinc/09/94/20/699099420.db2.gz FDCPZMSRKHVOBV-UHFFFAOYSA-N 1 1 314.437 1.497 20 10 DDCDMO C[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]1CO ZINC000785984608 699115385 /nfs/dbraw/zinc/11/53/85/699115385.db2.gz OPWTUBLIMGMCFV-CRAIPNDOSA-N 1 1 303.450 1.641 20 10 DDCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]1CO ZINC000785984608 699115386 /nfs/dbraw/zinc/11/53/86/699115386.db2.gz OPWTUBLIMGMCFV-CRAIPNDOSA-N 1 1 303.450 1.641 20 10 DDCDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000787421516 699211270 /nfs/dbraw/zinc/21/12/70/699211270.db2.gz SZZDQLRMFLRWMI-PBHICJAKSA-N 1 1 318.417 1.907 20 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PEEVNGFWERJLOC-UHFFFAOYSA-N 1 1 322.405 1.671 20 10 DDCDMO C[N@H+]1CC[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000735516744 699696027 /nfs/dbraw/zinc/69/60/27/699696027.db2.gz YYTQTODHKXTYRF-HZPDHXFCSA-N 1 1 318.417 1.852 20 10 DDCDMO COc1ccc(CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c(O)c1 ZINC000792998959 699727391 /nfs/dbraw/zinc/72/73/91/699727391.db2.gz VZUJAJRYSIWAPA-ABAIWWIYSA-N 1 1 319.405 1.683 20 10 DDCDMO COC[C@H](CO)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000793326087 699750621 /nfs/dbraw/zinc/75/06/21/699750621.db2.gz ZTUTVISZAWZFFZ-JTQLQIEISA-N 1 1 304.184 1.560 20 10 DDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C(N)=O ZINC000794156598 699795426 /nfs/dbraw/zinc/79/54/26/699795426.db2.gz VJXPMSWIJKCGQV-CZUORRHYSA-N 1 1 303.406 1.076 20 10 DDCDMO COC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000802311027 700394752 /nfs/dbraw/zinc/39/47/52/700394752.db2.gz IAUDFKHYINIXQE-SFYZADRCSA-N 1 1 322.174 1.952 20 10 DDCDMO COc1ccc(O)c(CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 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/nfs/dbraw/zinc/20/77/00/703207700.db2.gz GHYKHHMQFLJGHC-CYBMUJFWSA-N 1 1 315.373 1.524 20 10 DDCDMO CCc1cccc(C[N@H+]2C[C@@H](CO)C[C@H](OCCOC)C2)c1O ZINC000848906561 703601767 /nfs/dbraw/zinc/60/17/67/703601767.db2.gz APQYUQMHARQBNF-YOEHRIQHSA-N 1 1 323.433 1.800 20 10 DDCDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ncnn21 ZINC000850352400 703726593 /nfs/dbraw/zinc/72/65/93/703726593.db2.gz URNBQLXYCYHSHB-CJNGLKHVSA-N 1 1 313.405 1.910 20 10 DDCDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000851718431 703836055 /nfs/dbraw/zinc/83/60/55/703836055.db2.gz XIFUXNPJMGZAFA-KRWDZBQOSA-N 1 1 317.433 1.576 20 10 DDCDMO Cc1cc(C[N@@H+]2CCC[C@@H]3OCCNC(=O)[C@H]32)ccc1N(C)C ZINC000879725253 706772545 /nfs/dbraw/zinc/77/25/45/706772545.db2.gz LLHJAKXLRIVPHL-IRXDYDNUSA-N 1 1 317.433 1.540 20 10 DDCDMO Cc1cc(C[N@H+]2CCC[C@@H]3OCCNC(=O)[C@H]32)ccc1N(C)C ZINC000879725253 706772548 /nfs/dbraw/zinc/77/25/48/706772548.db2.gz LLHJAKXLRIVPHL-IRXDYDNUSA-N 1 1 317.433 1.540 20 10 DDCDMO C[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)[N@@H+](C)C1CC1 ZINC000819167912 704079679 /nfs/dbraw/zinc/07/96/79/704079679.db2.gz JWYYEJZCAIMRMY-LBPRGKRZSA-N 1 1 317.389 1.639 20 10 DDCDMO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000856811984 704540109 /nfs/dbraw/zinc/54/01/09/704540109.db2.gz QZBVKCOHCVFLSP-QGZVFWFLSA-N 1 1 316.449 1.149 20 10 DDCDMO CCN(OC)C(=O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858182161 704674825 /nfs/dbraw/zinc/67/48/25/704674825.db2.gz IXIIIPBFXRATAQ-UHFFFAOYSA-N 1 1 301.337 1.530 20 10 DDCDMO O=C(c1cccc(O)c1O)N1CCC([NH+]2CCOCC2)CC1 ZINC000862214270 705679480 /nfs/dbraw/zinc/67/94/80/705679480.db2.gz LZMUANSBOGPBBH-UHFFFAOYSA-N 1 1 306.362 1.035 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+](C)C[C@@H]3COCCO3)cc2)CC1 ZINC000827140053 705938199 /nfs/dbraw/zinc/93/81/99/705938199.db2.gz GVQUONGDGXEGQO-GOSISDBHSA-N 1 1 319.449 1.286 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+](C)C[C@@H]3COCCO3)cc2)CC1 ZINC000827140053 705938201 /nfs/dbraw/zinc/93/82/01/705938201.db2.gz GVQUONGDGXEGQO-GOSISDBHSA-N 1 1 319.449 1.286 20 10 DDCDMO C[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000863861025 706030447 /nfs/dbraw/zinc/03/04/47/706030447.db2.gz LCQGXHDGHFPCFW-UHFFFAOYSA-N 1 1 317.433 1.624 20 10 DDCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@]1(C)CO ZINC000827700654 706052669 /nfs/dbraw/zinc/05/26/69/706052669.db2.gz WIXAQCQHCHRWJB-MAUKXSAKSA-N 1 1 304.434 1.974 20 10 DDCDMO CC[N@@H+](CCOCCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877500451 706124269 /nfs/dbraw/zinc/12/42/69/706124269.db2.gz UUWTYEIRXORXCJ-UHFFFAOYSA-N 1 1 322.449 1.479 20 10 DDCDMO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](Cn3ccnn3)C2)cc1 ZINC000878987684 706553718 /nfs/dbraw/zinc/55/37/18/706553718.db2.gz QGVRCAUHEAAZNK-QGZVFWFLSA-N 1 1 315.421 1.635 20 10 DDCDMO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](Cn3ccnn3)C2)cc1 ZINC000878987684 706553720 /nfs/dbraw/zinc/55/37/20/706553720.db2.gz QGVRCAUHEAAZNK-QGZVFWFLSA-N 1 1 315.421 1.635 20 10 DDCDMO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc(N)cc2)CC1 ZINC000832250599 706880071 /nfs/dbraw/zinc/88/00/71/706880071.db2.gz UMUJQYAGBJNWFE-UHFFFAOYSA-N 1 1 313.405 1.853 20 10 DDCDMO COc1ccc(O)c(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000838473680 707928595 /nfs/dbraw/zinc/92/85/95/707928595.db2.gz AWFHQLYTXZLOKG-AGUYFDCRSA-N 1 1 319.405 1.825 20 10 DDCDMO C[C@@H](CNCc1ccc(N2CCC(O)CC2)cc1)C[NH+](C)C ZINC000883127260 707935188 /nfs/dbraw/zinc/93/51/88/707935188.db2.gz QEYDLEWPDYOPBQ-HNNXBMFYSA-N 1 1 305.466 1.935 20 10 DDCDMO C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CN(C)C ZINC000883127260 707935189 /nfs/dbraw/zinc/93/51/89/707935189.db2.gz QEYDLEWPDYOPBQ-HNNXBMFYSA-N 1 1 305.466 1.935 20 10 DDCDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cccc(O)c1O ZINC000885880063 708649177 /nfs/dbraw/zinc/64/91/77/708649177.db2.gz MTCSTVOJHFPSRW-LBPRGKRZSA-N 1 1 306.362 1.081 20 10 DDCDMO C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1c(O)cccc1F ZINC000886646665 708805243 /nfs/dbraw/zinc/80/52/43/708805243.db2.gz PLDRTTOPDKVOFY-ZUZCIYMTSA-N 1 1 310.325 1.403 20 10 DDCDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000927936478 713081079 /nfs/dbraw/zinc/08/10/79/713081079.db2.gz FKGZBPXLDQHMNP-HNNXBMFYSA-N 1 1 318.421 1.396 20 10 DDCDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000927936478 713081082 /nfs/dbraw/zinc/08/10/82/713081082.db2.gz FKGZBPXLDQHMNP-HNNXBMFYSA-N 1 1 318.421 1.396 20 10 DDCDMO COc1ccc(C[N@H+]2CCCC[C@@H]2CC(N)=O)c(O)c1OC ZINC000891823308 710302839 /nfs/dbraw/zinc/30/28/39/710302839.db2.gz PMAANMXCBJGMIP-GFCCVEGCSA-N 1 1 308.378 1.639 20 10 DDCDMO COc1ccc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c(O)c1OC ZINC000891845044 710307900 /nfs/dbraw/zinc/30/79/00/710307900.db2.gz NHIAADGMIYZDSG-GFCCVEGCSA-N 1 1 322.405 1.887 20 10 DDCDMO COc1ccc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c(O)c1OC ZINC000892148694 710381023 /nfs/dbraw/zinc/38/10/23/710381023.db2.gz JSDKSSYBHREANI-NSHDSACASA-N 1 1 308.378 1.497 20 10 DDCDMO COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H]2CO)c1O ZINC000902629974 710827183 /nfs/dbraw/zinc/82/71/83/710827183.db2.gz LNDAPVAJIXIEQW-GFCCVEGCSA-N 1 1 301.342 1.899 20 10 DDCDMO COc1ccc(C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c(O)c1OC ZINC000894142654 710983887 /nfs/dbraw/zinc/98/38/87/710983887.db2.gz OPDDDHZEKAHUIO-SJKOYZFVSA-N 1 1 323.389 1.789 20 10 DDCDMO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cnnn1C ZINC000903448200 711130242 /nfs/dbraw/zinc/13/02/42/711130242.db2.gz MASFGAYYGHRRGS-CXAGYDPISA-N 1 1 316.453 1.835 20 10 DDCDMO Cc1nnc([C@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)[nH]1 ZINC000895007317 711364416 /nfs/dbraw/zinc/36/44/16/711364416.db2.gz HKWAYLOREVDADP-JTQLQIEISA-N 1 1 302.334 1.537 20 10 DDCDMO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000895007317 711364419 /nfs/dbraw/zinc/36/44/19/711364419.db2.gz HKWAYLOREVDADP-JTQLQIEISA-N 1 1 302.334 1.537 20 10 DDCDMO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000895007317 711364422 /nfs/dbraw/zinc/36/44/22/711364422.db2.gz HKWAYLOREVDADP-JTQLQIEISA-N 1 1 302.334 1.537 20 10 DDCDMO Cc1nc([C@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)n[nH]1 ZINC000895007317 711364425 /nfs/dbraw/zinc/36/44/25/711364425.db2.gz HKWAYLOREVDADP-JTQLQIEISA-N 1 1 302.334 1.537 20 10 DDCDMO Cc1nc([C@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)n[nH]1 ZINC000895007317 711364427 /nfs/dbraw/zinc/36/44/27/711364427.db2.gz HKWAYLOREVDADP-JTQLQIEISA-N 1 1 302.334 1.537 20 10 DDCDMO O=C(NCc1c(O)cccc1F)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000919628593 713623169 /nfs/dbraw/zinc/62/31/69/713623169.db2.gz UKQZAHUPVLMSEK-GFCCVEGCSA-N 1 1 307.369 1.815 20 10 DDCDMO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000933219746 714539993 /nfs/dbraw/zinc/53/99/93/714539993.db2.gz TZSRGXWYPJEHHL-QGZVFWFLSA-N 1 1 317.433 1.624 20 10 DDCDMO C[C@H]([NH2+][C@H]1CNOC1)c1cc(Br)c(F)cc1O ZINC000925870028 714954226 /nfs/dbraw/zinc/95/42/26/714954226.db2.gz SMCHWCIHSIFOPD-BQBZGAKWSA-N 1 1 305.147 1.848 20 10 DDCDMO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)cc1 ZINC001016369609 756962815 /nfs/dbraw/zinc/96/28/15/756962815.db2.gz TVBKZPKDPNQVAQ-CYBMUJFWSA-N 1 1 319.365 1.036 20 10 DDCDMO C[NH+]1CCN(c2cc(NCc3ccc(O)c(O)c3)ncn2)CC1 ZINC001169990847 763535382 /nfs/dbraw/zinc/53/53/82/763535382.db2.gz RCZHHGQGNGQQKR-UHFFFAOYSA-N 1 1 315.377 1.252 20 10 DDCDMO Oc1cc(O)c(C[N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c(O)c1 ZINC001144509334 772557286 /nfs/dbraw/zinc/55/72/86/772557286.db2.gz TUICXKOUXSHZII-JJRVBVJISA-N 1 1 321.373 1.429 20 10 DDCDMO CN1CCN(c2ccc(CNC(=O)C[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC001119374489 781427509 /nfs/dbraw/zinc/42/75/09/781427509.db2.gz ANVNGRCSAITGTF-INIZCTEOSA-N 1 1 316.449 1.054 20 10 DDCDMO CCCCN1C(=O)COCC12C[NH+](Cc1ccccc1O)C2 ZINC001272618315 846414856 /nfs/dbraw/zinc/41/48/56/846414856.db2.gz FNRJGAHSRIGWJN-UHFFFAOYSA-N 1 1 304.390 1.606 20 10 DDCDMO COc1ccc(C[N@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c(O)c1 ZINC001272626180 846424838 /nfs/dbraw/zinc/42/48/38/846424838.db2.gz UJKYVHWDGRBYSX-QGZVFWFLSA-N 1 1 318.373 1.372 20 10 DDCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](CO)[C@H](O)C2)cc1Br ZINC001237678509 846693529 /nfs/dbraw/zinc/69/35/29/846693529.db2.gz ZYVDXYVIWARCMM-ZWNOBZJWSA-N 1 1 316.195 1.248 20 10 DDCDMO COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1O)C2 ZINC001275267601 852940969 /nfs/dbraw/zinc/94/09/69/852940969.db2.gz SPTGXUGZGYLSOI-ZBFHGGJFSA-N 1 1 306.406 1.519 20 10 DDCDMO Cc1ccc(O)c(C[N@@H+]2CCN(C)C[C@@]3(CCCC(=O)N3)C2)c1 ZINC001275311977 852972698 /nfs/dbraw/zinc/97/26/98/852972698.db2.gz XBHZCJADZZKOMJ-SFHVURJKSA-N 1 1 317.433 1.487 20 10 DDCDMO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ncn[nH]2)cc1C ZINC001275517784 853263625 /nfs/dbraw/zinc/26/36/25/853263625.db2.gz ZMSFCBANZRIPBG-RYUDHWBXSA-N 1 1 317.393 1.418 20 10 DDCDMO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2nc[nH]n2)cc1C ZINC001275517784 853263631 /nfs/dbraw/zinc/26/36/31/853263631.db2.gz ZMSFCBANZRIPBG-RYUDHWBXSA-N 1 1 317.393 1.418 20 10 DDCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC(=O)N1 ZINC001202862083 860174097 /nfs/dbraw/zinc/17/40/97/860174097.db2.gz ABGHUSPBCYCDGH-OAHLLOKOSA-N 1 1 303.406 1.234 20 10 DDCDMO COc1cc(CN2CC(C3COC3)C2)cc(C[NH+](C)C)c1O ZINC001139253000 860336611 /nfs/dbraw/zinc/33/66/11/860336611.db2.gz ICOOOLGOUIMRRO-UHFFFAOYSA-N 1 1 306.406 1.541 20 10 DDCDMO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139413220 860392443 /nfs/dbraw/zinc/39/24/43/860392443.db2.gz SWIUFFMLWVMWQG-QAPCUYQASA-N 1 1 303.450 1.784 20 10 DDCDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139413220 860392451 /nfs/dbraw/zinc/39/24/51/860392451.db2.gz SWIUFFMLWVMWQG-QAPCUYQASA-N 1 1 303.450 1.784 20 10 DDCDMO CC[NH+]1CCN(c2ccc(CN3C[C@@H](F)C[C@H]3CO)cc2)CC1 ZINC001140302001 860614801 /nfs/dbraw/zinc/61/48/01/860614801.db2.gz HCISMJPPVVZHQV-WMZOPIPTSA-N 1 1 321.440 1.733 20 10 DDCDMO Fc1cc(N2CCOCC2)ccc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001140665608 860670335 /nfs/dbraw/zinc/67/03/35/860670335.db2.gz ROTIZGOFTYDINC-GASCZTMLSA-N 1 1 306.381 1.741 20 10 DDCDMO CCN(CC)c1ccc(C[NH+]2CC(N(C)C(C)=O)C2)c(O)c1 ZINC001140855163 860714592 /nfs/dbraw/zinc/71/45/92/860714592.db2.gz PHSMJJYIWUAUAX-UHFFFAOYSA-N 1 1 305.422 1.901 20 10 DDCDMO CC(=O)N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1O)CCO2 ZINC001140950113 860744769 /nfs/dbraw/zinc/74/47/69/860744769.db2.gz NNMUFSGVRBTUDS-UHFFFAOYSA-N 1 1 318.417 1.914 20 10 DDCDMO COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)c1 ZINC001319990016 866418879 /nfs/dbraw/zinc/41/88/79/866418879.db2.gz XQRGELFAJONWAK-SNVBAGLBSA-N 1 1 319.361 1.941 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3C[C@@H](O)C4(CC4)C3)cc2F)CC1 ZINC001320486871 866773332 /nfs/dbraw/zinc/77/33/32/866773332.db2.gz OTGBAUZTRMNHQR-QGZVFWFLSA-N 1 1 319.424 1.534 20 10 DDCDMO COC(=O)[C@@H](C)N(C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321080984 867295790 /nfs/dbraw/zinc/29/57/90/867295790.db2.gz VUXJGSBVBCTCLX-CYBMUJFWSA-N 1 1 323.412 1.571 20 10 DDCDMO COc1cc([N+](=O)[O-])c(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1OC ZINC001164261720 869068905 /nfs/dbraw/zinc/06/89/05/869068905.db2.gz YOYFPRDEXWNNNE-BZNIZROVSA-N 1 1 321.377 2.000 20 10 DDCDMO COc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c1O ZINC001203592588 870655265 /nfs/dbraw/zinc/65/52/65/870655265.db2.gz HLMWHHSGIXEWPL-NHAGDIPZSA-N 1 1 304.390 1.603 20 10 DDCDMO COc1cccc(C[N@@H+]2CCc3c(ncnc3OC)C2)c1O ZINC001203595802 870658523 /nfs/dbraw/zinc/65/85/23/870658523.db2.gz NQPIDULZNNYGNX-UHFFFAOYSA-N 1 1 301.346 1.758 20 10 DDCDMO COc1cccc(C[N@H+]2CCc3c(ncnc3OC)C2)c1O ZINC001203595802 870658526 /nfs/dbraw/zinc/65/85/26/870658526.db2.gz NQPIDULZNNYGNX-UHFFFAOYSA-N 1 1 301.346 1.758 20 10 DDCDMO COC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc(OC)cc2O)C1 ZINC001203628556 870682429 /nfs/dbraw/zinc/68/24/29/870682429.db2.gz BIVCCIRVBNVFNM-ZDUSSCGKSA-N 1 1 317.389 1.876 20 10 DDCDMO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2O)C1 ZINC001203634441 870686556 /nfs/dbraw/zinc/68/65/56/870686556.db2.gz GFHBHTAYPSKCQN-CYBMUJFWSA-N 1 1 308.378 1.128 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)c1 ZINC001203669409 870703004 /nfs/dbraw/zinc/70/30/04/870703004.db2.gz BBXVBVMZPHSQJV-GWCFXTLKSA-N 1 1 321.295 1.261 20 10 DDCDMO Oc1ccc(C[N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c(O)c1 ZINC001204273978 871031237 /nfs/dbraw/zinc/03/12/37/871031237.db2.gz XCCYQRBFKKXUCE-QGZVFWFLSA-N 1 1 312.373 1.743 20 10 DDCDMO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c([O-])c1 ZINC001205651661 871676935 /nfs/dbraw/zinc/67/69/35/871676935.db2.gz IBCYKWFBHZGANH-DZGCQCFKSA-N 1 1 320.433 1.915 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c([O-])c1 ZINC001205651661 871676950 /nfs/dbraw/zinc/67/69/50/871676950.db2.gz IBCYKWFBHZGANH-DZGCQCFKSA-N 1 1 320.433 1.915 20 10 DDCDMO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2CN)c(O)c1 ZINC001205855864 871863936 /nfs/dbraw/zinc/86/39/36/871863936.db2.gz PXUVGFPBWYBSPT-WFASDCNBSA-N 1 1 306.406 1.667 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2CN)c(O)c1 ZINC001205855864 871863949 /nfs/dbraw/zinc/86/39/49/871863949.db2.gz PXUVGFPBWYBSPT-WFASDCNBSA-N 1 1 306.406 1.667 20 10 DDCDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(F)c1[O-] ZINC001276537905 873342359 /nfs/dbraw/zinc/34/23/59/873342359.db2.gz PLDUUZOYXDAJQP-HOTGVXAUSA-N 1 1 307.413 1.742 20 10 DDCDMO CC[N@H+]1CCC[C@H]1Cn1nnnc1N(C)Cc1ccccc1O ZINC001354316409 877880142 /nfs/dbraw/zinc/88/01/42/877880142.db2.gz RLYXDRRZTADKDA-AWEZNQCLSA-N 1 1 316.409 1.499 20 10 DDCDMO Cc1cc(C[N@H+]2C[C@H]3C[C@H](CC(N)=O)O[C@H]3C2)ccc1N(C)C ZINC001276929417 881138556 /nfs/dbraw/zinc/13/85/56/881138556.db2.gz WKBABGDUCJMHTA-INMHGKMJSA-N 1 1 317.433 1.526 20 10 DDCDMO COc1cccc(C[N@@H+]2CCc3onc(C(N)=O)c3C2)c1O ZINC001277452556 884414083 /nfs/dbraw/zinc/41/40/83/884414083.db2.gz VWBHPGJDZZIBNC-UHFFFAOYSA-N 1 1 303.318 1.046 20 10 DDCDMO COc1cccc(C[N@H+]2CCc3onc(C(N)=O)c3C2)c1O ZINC001277452556 884414086 /nfs/dbraw/zinc/41/40/86/884414086.db2.gz VWBHPGJDZZIBNC-UHFFFAOYSA-N 1 1 303.318 1.046 20 10 DDCDMO CN(C)C(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3c(O)cccc3F)C[C@@H]2O1 ZINC001277490013 885274414 /nfs/dbraw/zinc/27/44/14/885274414.db2.gz ZKSBFCXQEUCIIC-WQGACYEGSA-N 1 1 322.380 1.599 20 10 DDCDMO CN(C)C(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@@H]2O1 ZINC001277490013 885274432 /nfs/dbraw/zinc/27/44/32/885274432.db2.gz ZKSBFCXQEUCIIC-WQGACYEGSA-N 1 1 322.380 1.599 20 10 DDCDMO O=C(N1CC=CC1)C12CC([NH2+]Cc3c(O)cccc3F)(C1)C2 ZINC001277492109 885312559 /nfs/dbraw/zinc/31/25/59/885312559.db2.gz UAUUSOVQBBYLIL-UHFFFAOYSA-N 1 1 302.349 1.942 20 10 DDCDMO COc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC001231852638 885907903 /nfs/dbraw/zinc/90/79/03/885907903.db2.gz YXFHMYBYBHBDJN-QGZVFWFLSA-N 1 1 306.406 1.753 20 10 DDCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC001231852638 885907911 /nfs/dbraw/zinc/90/79/11/885907911.db2.gz YXFHMYBYBHBDJN-QGZVFWFLSA-N 1 1 306.406 1.753 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)c(O)c1 ZINC001232840471 886625680 /nfs/dbraw/zinc/62/56/80/886625680.db2.gz XVUSMONZIJXHDJ-HNNXBMFYSA-N 1 1 301.394 1.887 20 10 DDCDMO O=C1OCCN1C1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233017130 886730313 /nfs/dbraw/zinc/73/03/13/886730313.db2.gz SFUVRAYMYKWZAO-UHFFFAOYSA-N 1 1 308.334 1.220 20 10 DDCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c1O ZINC001233287859 886898541 /nfs/dbraw/zinc/89/85/41/886898541.db2.gz KIVAVCJSUVEYHP-UKRRQHHQSA-N 1 1 315.797 1.619 20 10 DDCDMO C[C@]1(CO)C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC[C@H]1O ZINC001233452419 886999925 /nfs/dbraw/zinc/99/99/25/886999925.db2.gz VQGLLKJWFKKWLV-ZIAGYGMSSA-N 1 1 319.323 1.976 20 10 DDCDMO [NH3+][C@]12C[C@H]1CN(Cc1cc(Br)cc(F)c1O)C2 ZINC001236031585 889067371 /nfs/dbraw/zinc/06/73/71/889067371.db2.gz XMCMSVURTIPKHN-UFBFGSQYSA-N 1 1 301.159 1.827 20 10 DDCDMO CN(CC[NH+](C)C)Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236930946 889428049 /nfs/dbraw/zinc/42/80/49/889428049.db2.gz HFCUMZVCNBNCKN-UHFFFAOYSA-N 1 1 308.445 1.571 20 10 DDCDMO C[N@@H+](CCN1CCOCC1)Cc1cc(F)c(Cl)cc1O ZINC001237946374 889948733 /nfs/dbraw/zinc/94/87/33/889948733.db2.gz KUOTTZKRWSYQPU-UHFFFAOYSA-N 1 1 302.777 1.949 20 10 DDCDMO C[N@@H+](CCN1CCOCC1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237946374 889948720 /nfs/dbraw/zinc/94/87/20/889948720.db2.gz KUOTTZKRWSYQPU-UHFFFAOYSA-N 1 1 302.777 1.949 20 10 DDCDMO C[N@H+](CCN1CCOCC1)Cc1cc(F)c(Cl)cc1O ZINC001237946374 889948725 /nfs/dbraw/zinc/94/87/25/889948725.db2.gz KUOTTZKRWSYQPU-UHFFFAOYSA-N 1 1 302.777 1.949 20 10 DDCDMO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1cc(F)c(Cl)cc1O ZINC001237939453 889948609 /nfs/dbraw/zinc/94/86/09/889948609.db2.gz DUSGOPIPRUFYOH-GFCCVEGCSA-N 1 1 316.760 1.474 20 10 DDCDMO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1cc(F)c(Cl)cc1O ZINC001237939453 889948612 /nfs/dbraw/zinc/94/86/12/889948612.db2.gz DUSGOPIPRUFYOH-GFCCVEGCSA-N 1 1 316.760 1.474 20 10 DDCDMO O=C(N1CCCCO1)[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC001278257347 890291403 /nfs/dbraw/zinc/29/14/03/890291403.db2.gz UBAXHPBINHMINX-CXAGYDPISA-N 1 1 320.364 1.907 20 10 DDCDMO COC(=O)Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)c(O)c1 ZINC001249177845 893852763 /nfs/dbraw/zinc/85/27/63/893852763.db2.gz KCHWNOQLRKCBSP-LBPRGKRZSA-N 1 1 305.374 1.909 20 10 DDCDMO COc1c(O)c(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278492205 539280622 /nfs/dbraw/zinc/28/06/22/539280622.db2.gz LOWAZHKLJAPUCZ-GWCFXTLKSA-N 1 1 321.377 1.881 20 10 DDCDMO Nc1nsc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)n1 ZINC000272525743 130037893 /nfs/dbraw/zinc/03/78/93/130037893.db2.gz YVEJRRHJSLMTGW-UHFFFAOYSA-N 1 1 309.370 1.287 20 10 DDCDMO CCOc1cccc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1O ZINC000273783627 130166444 /nfs/dbraw/zinc/16/64/44/130166444.db2.gz UASMBXSJERPNFB-CQSZACIVSA-N 1 1 319.405 1.827 20 10 DDCDMO CCONC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000274838730 130267019 /nfs/dbraw/zinc/26/70/19/130267019.db2.gz AOOLZNIVLUUSID-UHFFFAOYSA-N 1 1 322.409 1.068 20 10 DDCDMO CC(=O)c1cc(F)cc(C[N@@H+](CCO)C2CCOCC2)c1O ZINC000275455997 130323377 /nfs/dbraw/zinc/32/33/77/130323377.db2.gz BJSSOFRPUSLWFV-UHFFFAOYSA-N 1 1 311.353 1.707 20 10 DDCDMO CN(C)c1ccc(C[N@@H+](CCC(=O)NC(N)=O)C2CC2)cc1 ZINC000299342334 132099703 /nfs/dbraw/zinc/09/97/03/132099703.db2.gz OACWRKMPXQXGES-UHFFFAOYSA-N 1 1 304.394 1.302 20 10 DDCDMO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCSC3)CC2)c(O)c1O ZINC000371581264 292056747 /nfs/dbraw/zinc/05/67/47/292056747.db2.gz GJYKYRBLJSVRDM-LBPRGKRZSA-N 1 1 322.430 1.670 20 10 DDCDMO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(F)cc1O ZINC000186168499 407593032 /nfs/dbraw/zinc/59/30/32/407593032.db2.gz XKRDDXWXXNMCKP-ZYHUDNBSSA-N 1 1 316.398 1.606 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CCN(C(C)=O)C[C@@H]2C)cc1OC ZINC000271828873 407730423 /nfs/dbraw/zinc/73/04/23/407730423.db2.gz OIOBPBMVOKJLRE-NSHDSACASA-N 1 1 308.378 1.462 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCN(C(C)=O)C[C@@H]2C)cc1OC ZINC000271828873 407730428 /nfs/dbraw/zinc/73/04/28/407730428.db2.gz OIOBPBMVOKJLRE-NSHDSACASA-N 1 1 308.378 1.462 20 10 DDCDMO COc1cccc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c1O ZINC000119100079 407996810 /nfs/dbraw/zinc/99/68/10/407996810.db2.gz SUXOHVFUJXEGRE-UHFFFAOYSA-N 1 1 304.390 1.845 20 10 DDCDMO COCCN1CC[C@H]([NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000273466083 408209909 /nfs/dbraw/zinc/20/99/09/408209909.db2.gz DTFDRDOYVQGASB-OCCSQVGLSA-N 1 1 322.405 1.550 20 10 DDCDMO C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000292468028 409031055 /nfs/dbraw/zinc/03/10/55/409031055.db2.gz RBADTNGUINVMKQ-YOEHRIQHSA-N 1 1 319.449 1.556 20 10 DDCDMO COc1cccc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)c1O ZINC000293521559 409130597 /nfs/dbraw/zinc/13/05/97/409130597.db2.gz BANUSPLHJVEZEZ-LBPRGKRZSA-N 1 1 313.419 1.657 20 10 DDCDMO COc1cccc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)c1O ZINC000293521559 409130598 /nfs/dbraw/zinc/13/05/98/409130598.db2.gz BANUSPLHJVEZEZ-LBPRGKRZSA-N 1 1 313.419 1.657 20 10 DDCDMO C[C@@H](CN1CCOCC1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293435754 409113469 /nfs/dbraw/zinc/11/34/69/409113469.db2.gz AADOLBICFKENPZ-JTQLQIEISA-N 1 1 302.777 1.995 20 10 DDCDMO COc1c(O)c(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000293737506 409171900 /nfs/dbraw/zinc/17/19/00/409171900.db2.gz VLPFAECHGJXVOL-PHIMTYICSA-N 1 1 309.366 1.833 20 10 DDCDMO Cc1cc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)ccc1N(C)C ZINC000295510517 409323257 /nfs/dbraw/zinc/32/32/57/409323257.db2.gz UBFUXOANAZAMRW-MSOLQXFVSA-N 1 1 303.450 1.966 20 10 DDCDMO C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299238098 410577692 /nfs/dbraw/zinc/57/76/92/410577692.db2.gz JVIBZOBVKHVVLI-YOEHRIQHSA-N 1 1 319.449 1.604 20 10 DDCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCCN([C@@H](C)CO)CC2)c1 ZINC000367315695 418584183 /nfs/dbraw/zinc/58/41/83/418584183.db2.gz AQPCECJSCZWPRO-KBPBESRZSA-N 1 1 308.422 1.850 20 10 DDCDMO COc1ccc(O)c([C@H](C)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1 ZINC000367315695 418584185 /nfs/dbraw/zinc/58/41/85/418584185.db2.gz AQPCECJSCZWPRO-KBPBESRZSA-N 1 1 308.422 1.850 20 10 DDCDMO COc1ccc(O)c([C@H](C)N2CCC[N@H+]([C@@H](C)CO)CC2)c1 ZINC000367315695 418584188 /nfs/dbraw/zinc/58/41/88/418584188.db2.gz AQPCECJSCZWPRO-KBPBESRZSA-N 1 1 308.422 1.850 20 10 DDCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000377706002 418714230 /nfs/dbraw/zinc/71/42/30/418714230.db2.gz UFYKGMMTSUDFHZ-INIZCTEOSA-N 1 1 319.449 1.939 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CC[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000375731083 418678075 /nfs/dbraw/zinc/67/80/75/418678075.db2.gz MTTVTGDBUVIZQF-HNNXBMFYSA-N 1 1 308.334 1.921 20 10 DDCDMO COc1c(O)c(C[N@H+]2CC[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000375731083 418678077 /nfs/dbraw/zinc/67/80/77/418678077.db2.gz MTTVTGDBUVIZQF-HNNXBMFYSA-N 1 1 308.334 1.921 20 10 DDCDMO O=C(NCc1ccc(O)c(O)c1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000376829519 418701635 /nfs/dbraw/zinc/70/16/35/418701635.db2.gz UOKIBGHNBWSKLW-OAHLLOKOSA-N 1 1 312.369 1.989 20 10 DDCDMO O=C(NCc1ccc(O)c(O)c1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000376829519 418701638 /nfs/dbraw/zinc/70/16/38/418701638.db2.gz UOKIBGHNBWSKLW-OAHLLOKOSA-N 1 1 312.369 1.989 20 10 DDCDMO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1O ZINC000368211626 418704871 /nfs/dbraw/zinc/70/48/71/418704871.db2.gz HUUOYIHZOYNJQW-ABAIWWIYSA-N 1 1 322.380 1.962 20 10 DDCDMO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cccc(F)c3O)C2)nn1 ZINC000363931386 418771539 /nfs/dbraw/zinc/77/15/39/418771539.db2.gz RRLBDTLFASDLFE-LLVKDONJSA-N 1 1 320.324 1.356 20 10 DDCDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cccc(F)c3O)C2)nn1 ZINC000363931386 418771541 /nfs/dbraw/zinc/77/15/41/418771541.db2.gz RRLBDTLFASDLFE-LLVKDONJSA-N 1 1 320.324 1.356 20 10 DDCDMO O=C([C@H]1CCCO1)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000378491670 418724257 /nfs/dbraw/zinc/72/42/57/418724257.db2.gz FSKWJVPSDFIUHE-MRXNPFEDSA-N 1 1 304.390 1.606 20 10 DDCDMO CN1CCC[C@@]2(CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)C1=O ZINC000368718826 418724358 /nfs/dbraw/zinc/72/43/58/418724358.db2.gz KVRCAPSKUNYVSK-KRWDZBQOSA-N 1 1 318.373 1.565 20 10 DDCDMO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000371461017 418794249 /nfs/dbraw/zinc/79/42/49/418794249.db2.gz URDONIMKXBBHAQ-LBPRGKRZSA-N 1 1 315.414 1.015 20 10 DDCDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000371461017 418794250 /nfs/dbraw/zinc/79/42/50/418794250.db2.gz URDONIMKXBBHAQ-LBPRGKRZSA-N 1 1 315.414 1.015 20 10 DDCDMO COc1ccc(N2CCC([N@@H+](C)C[C@@H]3CNC(=O)O3)CC2)cc1 ZINC000376797904 337041428 /nfs/dbraw/zinc/04/14/28/337041428.db2.gz BSFSLVSCLNCWQX-INIZCTEOSA-N 1 1 319.405 1.704 20 10 DDCDMO COc1c(O)c(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000278530546 484296233 /nfs/dbraw/zinc/29/62/33/484296233.db2.gz VCHVJWYCCXOSFO-RISCZKNCSA-N 1 1 321.377 1.835 20 10 DDCDMO COc1ccc(O)c(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000179572648 524742093 /nfs/dbraw/zinc/74/20/93/524742093.db2.gz KVNBAKNJCGUKEM-INIZCTEOSA-N 1 1 320.389 1.224 20 10 DDCDMO Cc1ccc(O)c(CN2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000119534867 525343819 /nfs/dbraw/zinc/34/38/19/525343819.db2.gz AUJBJIWIOBAFBB-UHFFFAOYSA-N 1 1 303.450 1.914 20 10 DDCDMO C[C@@H]([NH2+]Cc1nncn1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152302542 525566919 /nfs/dbraw/zinc/56/69/19/525566919.db2.gz IUDITISBNPRMLZ-GFCCVEGCSA-N 1 1 319.384 1.642 20 10 DDCDMO CC[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(F)cc1O ZINC000285942381 535903215 /nfs/dbraw/zinc/90/32/15/535903215.db2.gz DLZXHNDNKXIDEF-ZDUSSCGKSA-N 1 1 319.398 1.633 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1OC ZINC000285221067 536856934 /nfs/dbraw/zinc/85/69/34/536856934.db2.gz XYTDPDLPBPSXMD-KRWDZBQOSA-N 1 1 323.389 1.791 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1OC ZINC000285221067 536856941 /nfs/dbraw/zinc/85/69/41/536856941.db2.gz XYTDPDLPBPSXMD-KRWDZBQOSA-N 1 1 323.389 1.791 20 10 DDCDMO CC(C)[N@@H+](C)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000067571185 696361972 /nfs/dbraw/zinc/36/19/72/696361972.db2.gz CRNCXJXQJYANEP-UHFFFAOYSA-N 1 1 319.449 1.822 20 10 DDCDMO C[N@H+](CC(=O)NCC1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000073645456 696406258 /nfs/dbraw/zinc/40/62/58/696406258.db2.gz MQHLCRNUFDMWMT-UHFFFAOYSA-N 1 1 317.433 1.481 20 10 DDCDMO C[N@@H+](CC(=O)NCC1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000073645456 696406259 /nfs/dbraw/zinc/40/62/59/696406259.db2.gz MQHLCRNUFDMWMT-UHFFFAOYSA-N 1 1 317.433 1.481 20 10 DDCDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180801415 697452235 /nfs/dbraw/zinc/45/22/35/697452235.db2.gz MJSSPTKAGWLEEA-HZRUHFOJSA-N 1 1 304.390 1.910 20 10 DDCDMO COc1ccc(N2CCC[N@H+]([C@H]3CCCN(C)C3=O)CC2)cc1 ZINC000778939853 698384510 /nfs/dbraw/zinc/38/45/10/698384510.db2.gz GCKNQGSEUOPNEP-KRWDZBQOSA-N 1 1 317.433 1.828 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]CC[C@@H]3CCOC3)cc2)CC1 ZINC000784662270 699032849 /nfs/dbraw/zinc/03/28/49/699032849.db2.gz ITFQVYAONMRIBY-QGZVFWFLSA-N 1 1 303.450 1.955 20 10 DDCDMO O=C(c1cccc(O)c1O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000790528749 699465305 /nfs/dbraw/zinc/46/53/05/699465305.db2.gz WNNATGQMHLBMAR-CYBMUJFWSA-N 1 1 320.389 1.425 20 10 DDCDMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000729528249 699481452 /nfs/dbraw/zinc/48/14/52/699481452.db2.gz ZDTYVXKAINEQDD-GDBMZVCRSA-N 1 1 317.433 1.652 20 10 DDCDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000735073449 699675809 /nfs/dbraw/zinc/67/58/09/699675809.db2.gz MKDIKEFGIMUALW-GFCCVEGCSA-N 1 1 321.402 1.064 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]CCN3CC=CCC3)cc2)CC1 ZINC000793320043 699749960 /nfs/dbraw/zinc/74/99/60/699749960.db2.gz UTAUIUBYYSWVKT-UHFFFAOYSA-N 1 1 314.477 1.790 20 10 DDCDMO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000756734731 700638710 /nfs/dbraw/zinc/63/87/10/700638710.db2.gz YSOYLRGRRFXHSN-SECBINFHSA-N 1 1 323.361 1.382 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](CO)C2CCOCC2)c1 ZINC000757659819 700668066 /nfs/dbraw/zinc/66/80/66/700668066.db2.gz QZIWOYOJHXNDJO-IAQYHMDHSA-N 1 1 323.389 1.617 20 10 DDCDMO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000762487228 700894285 /nfs/dbraw/zinc/89/42/85/700894285.db2.gz SYAXGJFJBAEEIM-CRAIPNDOSA-N 1 1 303.450 1.953 20 10 DDCDMO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000763383343 700936068 /nfs/dbraw/zinc/93/60/68/700936068.db2.gz POOXMHUNKQDVOL-HNNXBMFYSA-N 1 1 309.431 1.890 20 10 DDCDMO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000763383343 700936070 /nfs/dbraw/zinc/93/60/70/700936070.db2.gz POOXMHUNKQDVOL-HNNXBMFYSA-N 1 1 309.431 1.890 20 10 DDCDMO COCCC[N@@H+](CCOC)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439421 701176868 /nfs/dbraw/zinc/17/68/68/701176868.db2.gz HFEGMIFKLYTWTH-OAHLLOKOSA-N 1 1 311.378 1.303 20 10 DDCDMO CC(C)[N@H+]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768453422 701178701 /nfs/dbraw/zinc/17/87/01/701178701.db2.gz WVPWXUZNNMQEON-INIZCTEOSA-N 1 1 306.406 1.734 20 10 DDCDMO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1F ZINC000769468225 701246162 /nfs/dbraw/zinc/24/61/62/701246162.db2.gz DKOTZVSMILGKQT-CYBMUJFWSA-N 1 1 314.426 1.758 20 10 DDCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1F ZINC000769468225 701246164 /nfs/dbraw/zinc/24/61/64/701246164.db2.gz DKOTZVSMILGKQT-CYBMUJFWSA-N 1 1 314.426 1.758 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000770387428 701275910 /nfs/dbraw/zinc/27/59/10/701275910.db2.gz PPVQTXAZSAWDNV-CYBMUJFWSA-N 1 1 302.378 1.905 20 10 DDCDMO Cc1ccc(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c(O)c1O ZINC000771659123 701327406 /nfs/dbraw/zinc/32/74/06/701327406.db2.gz ZPQYTUXSONBZGA-CYBMUJFWSA-N 1 1 321.421 1.162 20 10 DDCDMO Cc1cc(C[NH+]2CCN(CC(=O)N(C)C)CC2)ccc1N(C)C ZINC000815012764 701782669 /nfs/dbraw/zinc/78/26/69/701782669.db2.gz MAURZGPRWDNRCZ-UHFFFAOYSA-N 1 1 318.465 1.267 20 10 DDCDMO O=C1CO[C@H]2CC[N@H+](Cc3cc4c(cc3O)CCCC4)C[C@@H]2N1 ZINC000840151996 701999267 /nfs/dbraw/zinc/99/92/67/701999267.db2.gz IAXDRYWRGPILOO-RDJZCZTQSA-N 1 1 316.401 1.360 20 10 DDCDMO CCOc1ccc(C[N@H+]2CCN(C)C[C@H](C(=O)OC)C2)c(O)c1 ZINC000840957223 702294079 /nfs/dbraw/zinc/29/40/79/702294079.db2.gz KBRSYAVQCZVIFR-AWEZNQCLSA-N 1 1 322.405 1.328 20 10 DDCDMO CCOc1ccc(CN2CC[N@H+](C)C[C@H](C(=O)OC)C2)c(O)c1 ZINC000840957223 702294082 /nfs/dbraw/zinc/29/40/82/702294082.db2.gz KBRSYAVQCZVIFR-AWEZNQCLSA-N 1 1 322.405 1.328 20 10 DDCDMO CCOc1ccc(CN2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c(O)c1 ZINC000840957223 702294085 /nfs/dbraw/zinc/29/40/85/702294085.db2.gz KBRSYAVQCZVIFR-AWEZNQCLSA-N 1 1 322.405 1.328 20 10 DDCDMO CN1CCN(c2ccc(CN3CCC[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000841027234 702315921 /nfs/dbraw/zinc/31/59/21/702315921.db2.gz LGRJFDCULVLVPV-PKOBYXMFSA-N 1 1 314.477 1.622 20 10 DDCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cnc(N(C)C)nc2)cc1 ZINC000841043861 702320525 /nfs/dbraw/zinc/32/05/25/702320525.db2.gz QRCKEYAHLPJLGW-INIZCTEOSA-N 1 1 314.437 1.398 20 10 DDCDMO Oc1c(Br)cccc1C[NH2+]C[C@H]1CNCCO1 ZINC000841099244 702346570 /nfs/dbraw/zinc/34/65/70/702346570.db2.gz NIURFWXYKRCFRL-SNVBAGLBSA-N 1 1 301.184 1.233 20 10 DDCDMO CN1C[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000814173114 702490612 /nfs/dbraw/zinc/49/06/12/702490612.db2.gz GGXAZBPYYUZVSC-FUHWJXTLSA-N 1 1 301.434 1.659 20 10 DDCDMO C[N@@H+]1C[C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000814173114 702490615 /nfs/dbraw/zinc/49/06/15/702490615.db2.gz GGXAZBPYYUZVSC-FUHWJXTLSA-N 1 1 301.434 1.659 20 10 DDCDMO C[N@H+]1C[C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000814173114 702490617 /nfs/dbraw/zinc/49/06/17/702490617.db2.gz GGXAZBPYYUZVSC-FUHWJXTLSA-N 1 1 301.434 1.659 20 10 DDCDMO C[N@H+]1CC[C@@]2(CCN(C(=O)NCCc3ccc(N)cc3)C2)C1 ZINC000841955386 702634654 /nfs/dbraw/zinc/63/46/54/702634654.db2.gz AFHZLLWMEGYJFZ-QGZVFWFLSA-N 1 1 302.422 1.549 20 10 DDCDMO CN(C(=O)NCCc1ccc(N)cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000841956256 702635157 /nfs/dbraw/zinc/63/51/57/702635157.db2.gz ZWXYFKDTLNKBQS-MRXNPFEDSA-N 1 1 302.422 1.689 20 10 DDCDMO COc1ccc(O)c([C@@H](C)NC(=O)NCC(F)(F)C[NH3+])c1 ZINC000841970644 702641025 /nfs/dbraw/zinc/64/10/25/702641025.db2.gz DDVJGIVAKRFNBA-MRVPVSSYSA-N 1 1 303.309 1.355 20 10 DDCDMO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000842227194 702684911 /nfs/dbraw/zinc/68/49/11/702684911.db2.gz SBZYPJSWLCCRQT-MSOLQXFVSA-N 1 1 321.465 1.050 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](CN)C(C)(C)C)cc1 ZINC000844227548 702997554 /nfs/dbraw/zinc/99/75/54/702997554.db2.gz YRTAAYHCJJFYRU-INIZCTEOSA-N 1 1 320.481 1.674 20 10 DDCDMO COC1CCN(c2ccc(C[NH+]3CCN(OC)CC3)cc2)CC1 ZINC000846970214 703358721 /nfs/dbraw/zinc/35/87/21/703358721.db2.gz BTODDSJSXGJZPH-UHFFFAOYSA-N 1 1 319.449 1.981 20 10 DDCDMO C[C@@H](CNC(=O)Cc1ccc(N)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848431287 703549843 /nfs/dbraw/zinc/54/98/43/703549843.db2.gz HZRPFCRCXSENKV-MELADBBJSA-N 1 1 305.422 1.425 20 10 DDCDMO C[C@@H](CNC(=O)Cc1ccc(N)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848431287 703549844 /nfs/dbraw/zinc/54/98/44/703549844.db2.gz HZRPFCRCXSENKV-MELADBBJSA-N 1 1 305.422 1.425 20 10 DDCDMO C[C@H]1COC2(CCC2)C[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000853541089 704263441 /nfs/dbraw/zinc/26/34/41/704263441.db2.gz NREDOPCKMYMVPF-XHDPSFHLSA-N 1 1 305.374 1.961 20 10 DDCDMO CCC[N@H+]1CC[C@H](NC(=O)NCc2cc(OC)ccc2O)C1 ZINC000853736889 704307723 /nfs/dbraw/zinc/30/77/23/704307723.db2.gz RZSQLGDTLPDXOL-ZDUSSCGKSA-N 1 1 307.394 1.684 20 10 DDCDMO C[N@@H+](CCc1ccccc1)CC(=O)NCc1ccc(O)c(O)c1 ZINC000821070866 704367351 /nfs/dbraw/zinc/36/73/51/704367351.db2.gz PBJCBJSBVCNSKZ-UHFFFAOYSA-N 1 1 314.385 1.889 20 10 DDCDMO C[C@H]1CCNC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230736 704368871 /nfs/dbraw/zinc/36/88/71/704368871.db2.gz XLOGKSLTNOAQLC-KSSFIOAISA-N 1 1 303.450 1.735 20 10 DDCDMO CC[N@@H+](CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000855234077 704474423 /nfs/dbraw/zinc/47/44/23/704474423.db2.gz RUPBITLFQQTXSQ-CQSZACIVSA-N 1 1 317.433 1.874 20 10 DDCDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875370324 705367116 /nfs/dbraw/zinc/36/71/16/705367116.db2.gz CRIHPKSSIUYJBT-IAQYHMDHSA-N 1 1 301.390 1.900 20 10 DDCDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000824893533 705553308 /nfs/dbraw/zinc/55/33/08/705553308.db2.gz UWGOFUVQOGQBPI-AEFFLSMTSA-N 1 1 301.434 1.659 20 10 DDCDMO CN1CC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000824893533 705553312 /nfs/dbraw/zinc/55/33/12/705553312.db2.gz UWGOFUVQOGQBPI-AEFFLSMTSA-N 1 1 301.434 1.659 20 10 DDCDMO CN1CC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000824893533 705553314 /nfs/dbraw/zinc/55/33/14/705553314.db2.gz UWGOFUVQOGQBPI-AEFFLSMTSA-N 1 1 301.434 1.659 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H](C)Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000825046093 705585967 /nfs/dbraw/zinc/58/59/67/705585967.db2.gz QFAFSEWOHNBHPM-JTQLQIEISA-N 1 1 320.349 1.763 20 10 DDCDMO C[N@H+](Cc1cccc(Br)c1O)[C@@]1(CO)CCOC1 ZINC000862426452 705716013 /nfs/dbraw/zinc/71/60/13/705716013.db2.gz FXWOLOYAVICLFM-CYBMUJFWSA-N 1 1 316.195 1.738 20 10 DDCDMO C[N@@H+](Cc1cccc(Br)c1O)[C@@]1(CO)CCOC1 ZINC000862426452 705716016 /nfs/dbraw/zinc/71/60/16/705716016.db2.gz FXWOLOYAVICLFM-CYBMUJFWSA-N 1 1 316.195 1.738 20 10 DDCDMO COCCOCC[N@@H+](CCO)Cc1c(O)cc(C)cc1Cl ZINC000862468286 705720771 /nfs/dbraw/zinc/72/07/71/705720771.db2.gz FMMQYCIWQWLPNH-UHFFFAOYSA-N 1 1 317.813 1.811 20 10 DDCDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876757996 705860685 /nfs/dbraw/zinc/86/06/85/705860685.db2.gz DRDRKYOVCHSFFW-SFHVURJKSA-N 1 1 304.434 1.995 20 10 DDCDMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1O ZINC000876814373 705888628 /nfs/dbraw/zinc/88/86/28/705888628.db2.gz FFHQNRZOTZNFDV-YJBOKZPZSA-N 1 1 304.434 1.850 20 10 DDCDMO COC[C@@]1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000863342504 705907609 /nfs/dbraw/zinc/90/76/09/705907609.db2.gz FBTCCMHRPMRSHA-GOEBONIOSA-N 1 1 309.362 1.055 20 10 DDCDMO COC[C@@]1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000863342504 705907610 /nfs/dbraw/zinc/90/76/10/705907610.db2.gz FBTCCMHRPMRSHA-GOEBONIOSA-N 1 1 309.362 1.055 20 10 DDCDMO C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000863647754 705976026 /nfs/dbraw/zinc/97/60/26/705976026.db2.gz UMQHNEVOGFTJAY-UHFFFAOYSA-N 1 1 317.773 1.622 20 10 DDCDMO CC(C)[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CC[N@H+]1C ZINC000827499231 706014931 /nfs/dbraw/zinc/01/49/31/706014931.db2.gz AQEDHCVHLXNIFT-BRLPQQTGSA-N 1 1 304.390 1.910 20 10 DDCDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877662481 706173066 /nfs/dbraw/zinc/17/30/66/706173066.db2.gz SQLHLCJUGLEUOP-CYBMUJFWSA-N 1 1 312.435 1.462 20 10 DDCDMO COc1cccc(O)c1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877747482 706197450 /nfs/dbraw/zinc/19/74/50/706197450.db2.gz NODVKMIYAORCHP-UHFFFAOYSA-N 1 1 319.449 1.613 20 10 DDCDMO CC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C(=O)N1CCOCC1 ZINC000883032239 707906225 /nfs/dbraw/zinc/90/62/25/707906225.db2.gz ASOAZYKJDCAKPU-ZDUSSCGKSA-N 1 1 314.332 1.397 20 10 DDCDMO O=S1(=O)CCC(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883076479 707919845 /nfs/dbraw/zinc/91/98/45/707919845.db2.gz FDKWHGFNBIOICY-UHFFFAOYSA-N 1 1 305.346 1.585 20 10 DDCDMO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)O1 ZINC000883082425 707921571 /nfs/dbraw/zinc/92/15/71/707921571.db2.gz GBPQFKMJANJUQS-YPMHNXCESA-N 1 1 314.332 1.396 20 10 DDCDMO CC(C)(C[NH2+]Cc1cc(F)cc(F)c1O)[C@@]1(O)CCOC1 ZINC000883152759 707941926 /nfs/dbraw/zinc/94/19/26/707941926.db2.gz GQEIHODIFPIEQJ-OAHLLOKOSA-N 1 1 301.333 1.938 20 10 DDCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)c(Cl)c1 ZINC000897063786 708220779 /nfs/dbraw/zinc/22/07/79/708220779.db2.gz VUVDIPVLTXEQPA-SNVBAGLBSA-N 1 1 318.826 1.464 20 10 DDCDMO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c(O)c1OC ZINC000897621944 708398618 /nfs/dbraw/zinc/39/86/18/708398618.db2.gz ZVVFXDIIQMHMDH-SJCJKPOMSA-N 1 1 320.389 1.497 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)cc1 ZINC000886472076 708766221 /nfs/dbraw/zinc/76/62/21/708766221.db2.gz GBZDGTQMDXOCKA-IAGOWNOFSA-N 1 1 319.449 1.556 20 10 DDCDMO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCN2C)[NH+](C)C)cc1 ZINC000891248601 710141334 /nfs/dbraw/zinc/14/13/34/710141334.db2.gz ZKHDLCHVTUOWRW-IRXDYDNUSA-N 1 1 318.465 1.566 20 10 DDCDMO C[N@H+]1CCN(C(=O)NCCc2ccc(N)cc2)CCC1(C)C ZINC000892039102 710358235 /nfs/dbraw/zinc/35/82/35/710358235.db2.gz PBKQOLCMHDQWST-UHFFFAOYSA-N 1 1 304.438 1.937 20 10 DDCDMO COc1ccc(C[N@H+]2CC[C@@H](n3cncn3)C2)c(O)c1OC ZINC000893694617 710781187 /nfs/dbraw/zinc/78/11/87/710781187.db2.gz ZWTKSYCRYLKDNP-GFCCVEGCSA-N 1 1 304.350 1.448 20 10 DDCDMO COC(=O)c1c(C[N@H+]2CC[C@H](CO)C2)c2cc(F)ccc2n1C ZINC000893986958 710912055 /nfs/dbraw/zinc/91/20/55/710912055.db2.gz RNMKMIZXNGEPRU-NSHDSACASA-N 1 1 320.364 1.918 20 10 DDCDMO C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc(F)cc1O ZINC000903290716 711089990 /nfs/dbraw/zinc/08/99/90/711089990.db2.gz CUFCOURROQNGJX-LLVKDONJSA-N 1 1 316.398 1.608 20 10 DDCDMO COc1cc(C)cc(C[NH2+][C@@H](C)c2nnnn2C2CC2)c1O ZINC000894556047 711180158 /nfs/dbraw/zinc/18/01/58/711180158.db2.gz UAQKXXUZEBJZPF-JTQLQIEISA-N 1 1 303.366 1.881 20 10 DDCDMO Oc1cccc(F)c1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000895833557 711620670 /nfs/dbraw/zinc/62/06/70/711620670.db2.gz ZMBSLQPTWXHWHB-UHFFFAOYSA-N 1 1 304.325 1.770 20 10 DDCDMO COc1ccc(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(O)c1OC ZINC000895845337 711623637 /nfs/dbraw/zinc/62/36/37/711623637.db2.gz VIBODLHLKZKGPA-GXTWGEPZSA-N 1 1 306.406 1.935 20 10 DDCDMO COc1cc(O)c(C[N@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)cc1OC ZINC000895921688 711646500 /nfs/dbraw/zinc/64/65/00/711646500.db2.gz PHTXKWKYPFZMIV-IJLUTSLNSA-N 1 1 322.405 1.849 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)cc1OC ZINC000895921688 711646502 /nfs/dbraw/zinc/64/65/02/711646502.db2.gz PHTXKWKYPFZMIV-IJLUTSLNSA-N 1 1 322.405 1.849 20 10 DDCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@@H]3C)CC2)cc1 ZINC000905974625 712206785 /nfs/dbraw/zinc/20/67/85/712206785.db2.gz LQVORQGMWDOKSX-DOTOQJQBSA-N 1 1 319.449 1.272 20 10 DDCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)C1(O)CCC1 ZINC000929186063 713563173 /nfs/dbraw/zinc/56/31/73/713563173.db2.gz WSYUIJVRWRWXFW-QGZVFWFLSA-N 1 1 320.433 1.231 20 10 DDCDMO C[N@H+]1CCC[C@@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000925290476 714794980 /nfs/dbraw/zinc/79/49/80/714794980.db2.gz DUSHVYVWWAULFR-CYBMUJFWSA-N 1 1 303.362 1.251 20 10 DDCDMO [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001205248957 751349743 /nfs/dbraw/zinc/34/97/43/751349743.db2.gz UTGWIGJCKTWSFW-AWEZNQCLSA-N 1 1 302.777 1.860 20 10 DDCDMO CCC(=O)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092973155 740213798 /nfs/dbraw/zinc/21/37/98/740213798.db2.gz MMZDBQACRZWJKP-UHFFFAOYSA-N 1 1 317.433 1.577 20 10 DDCDMO O=C(CCc1ccc(O)c(O)c1)NC1CC[NH+](CCF)CC1 ZINC001182155614 743501078 /nfs/dbraw/zinc/50/10/78/743501078.db2.gz JTNOUPPRMLGRSU-UHFFFAOYSA-N 1 1 310.369 1.581 20 10 DDCDMO COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1cccc(OC)c1O)C2 ZINC001203589326 744057304 /nfs/dbraw/zinc/05/73/04/744057304.db2.gz GDZWTPAWADRUIX-LRDDRELGSA-N 1 1 307.346 1.022 20 10 DDCDMO COc1ccc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)c(O)c1OC ZINC001120040162 758202234 /nfs/dbraw/zinc/20/22/34/758202234.db2.gz AACQXVIEYDOFFJ-WSVYEEACSA-N 1 1 313.419 1.610 20 10 DDCDMO COc1ccc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)c(O)c1OC ZINC001120040162 758202242 /nfs/dbraw/zinc/20/22/42/758202242.db2.gz AACQXVIEYDOFFJ-WSVYEEACSA-N 1 1 313.419 1.610 20 10 DDCDMO Cc1ccnc(O[C@H]2CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144515903 772558833 /nfs/dbraw/zinc/55/88/33/772558833.db2.gz IRKCXRYJVXMBNY-LBPRGKRZSA-N 1 1 317.345 1.555 20 10 DDCDMO COc1cc(O)c(C[N@@H+](C)C2CCS(=O)CC2)cc1OC ZINC001180098651 779621233 /nfs/dbraw/zinc/62/12/33/779621233.db2.gz NYGXCBYCVRPMCY-UHFFFAOYSA-N 1 1 313.419 1.752 20 10 DDCDMO CCOc1ccc(N2CC[NH+](C[C@@H]3CN(C)C(=O)O3)CC2)cc1 ZINC001117746400 780894079 /nfs/dbraw/zinc/89/40/79/780894079.db2.gz VTEUHSSRKOHGGT-INIZCTEOSA-N 1 1 319.405 1.658 20 10 DDCDMO Cc1cc(O)c(C[N@@H+](C)CCNS(C)(=O)=O)cc1Cl ZINC001118633884 781185014 /nfs/dbraw/zinc/18/50/14/781185014.db2.gz HLNOAWQNGPMGLQ-UHFFFAOYSA-N 1 1 306.815 1.335 20 10 DDCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@]23CCN(C2COC2)C3=O)c1 ZINC001272622308 846421802 /nfs/dbraw/zinc/42/18/02/846421802.db2.gz DAGRGUHEBIALPL-GOSISDBHSA-N 1 1 316.401 1.666 20 10 DDCDMO COCCN1C[C@@H]2C[N@H+](Cc3c(O)cccc3F)C[C@@H]2C1=O ZINC001137835759 859984111 /nfs/dbraw/zinc/98/41/11/859984111.db2.gz MXTXDLLZJRUFAH-RYUDHWBXSA-N 1 1 308.353 1.068 20 10 DDCDMO COCCN1C[C@@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@@H]2C1=O ZINC001137835759 859984117 /nfs/dbraw/zinc/98/41/17/859984117.db2.gz MXTXDLLZJRUFAH-RYUDHWBXSA-N 1 1 308.353 1.068 20 10 DDCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c(OC)c1 ZINC001138386152 860081726 /nfs/dbraw/zinc/08/17/26/860081726.db2.gz HVERGRZQCXSKRP-GDBMZVCRSA-N 1 1 308.422 1.326 20 10 DDCDMO COC(=O)C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138500528 860121061 /nfs/dbraw/zinc/12/10/61/860121061.db2.gz YVZLCGKTNCATBU-MRXNPFEDSA-N 1 1 318.417 1.908 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+](C)CCC3OCCO3)cc2)CC1 ZINC001139412320 860392521 /nfs/dbraw/zinc/39/25/21/860392521.db2.gz GABHFMQGESXDIF-UHFFFAOYSA-N 1 1 319.449 1.633 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+](C)CCC3OCCO3)cc2)CC1 ZINC001139412320 860392527 /nfs/dbraw/zinc/39/25/27/860392527.db2.gz GABHFMQGESXDIF-UHFFFAOYSA-N 1 1 319.449 1.633 20 10 DDCDMO COC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749116 860691148 /nfs/dbraw/zinc/69/11/48/860691148.db2.gz XXJPQEMHOIHHNV-CYBMUJFWSA-N 1 1 317.389 1.881 20 10 DDCDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)CCS1 ZINC001140749501 860691352 /nfs/dbraw/zinc/69/13/52/860691352.db2.gz CDALSTOFQSVLRH-ZDUSSCGKSA-N 1 1 311.403 1.887 20 10 DDCDMO Cc1c(O)ccc(C[N@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c1O ZINC001140747699 860691438 /nfs/dbraw/zinc/69/14/38/860691438.db2.gz FXJOPMTZEQYAET-UHFFFAOYSA-N 1 1 303.318 1.166 20 10 DDCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@H](Oc3ncccn3)C2)c1 ZINC001141162869 860799583 /nfs/dbraw/zinc/79/95/83/860799583.db2.gz IOTDFRZSMMENKA-AWEZNQCLSA-N 1 1 301.346 1.931 20 10 DDCDMO Cc1ccc(O)c(C[NH+]2CCN(C(=O)N3CCOCC3)CC2)c1 ZINC000123988348 861186203 /nfs/dbraw/zinc/18/62/03/861186203.db2.gz BIJSUAVOXJQZQJ-UHFFFAOYSA-N 1 1 319.405 1.270 20 10 DDCDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1Cc2cccc(O)c2C1 ZINC001331327940 865013824 /nfs/dbraw/zinc/01/38/24/865013824.db2.gz OOLSKAVKLBMLCT-AWEZNQCLSA-N 1 1 301.390 1.902 20 10 DDCDMO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1nncn1C ZINC001331710595 865264131 /nfs/dbraw/zinc/26/41/31/865264131.db2.gz AWJHQJKGXPDBLQ-ZDUSSCGKSA-N 1 1 315.421 1.627 20 10 DDCDMO NC(=O)COC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC001324274636 867174986 /nfs/dbraw/zinc/17/49/86/867174986.db2.gz HXTPQRCGMOVHON-UHFFFAOYSA-N 1 1 316.760 1.651 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](N)C2)c(O)c1 ZINC001206704749 869509673 /nfs/dbraw/zinc/50/96/73/869509673.db2.gz VPPDUFLZKTVQBZ-ZDUSSCGKSA-N 1 1 314.332 1.276 20 10 DDCDMO COC[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2cn(C)nc21 ZINC001203592174 870655362 /nfs/dbraw/zinc/65/53/62/870655362.db2.gz QPNYOGYQADMKNU-AWEZNQCLSA-N 1 1 317.389 1.880 20 10 DDCDMO CCOc1cccc(C[N@@H+](CC)CCN2CCOCC2)c1O ZINC001203614126 870672020 /nfs/dbraw/zinc/67/20/20/870672020.db2.gz PPYOMBYRBJBEJJ-UHFFFAOYSA-N 1 1 308.422 1.945 20 10 DDCDMO COC[C@@H]1Cn2nccc2C[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC001203675288 870706349 /nfs/dbraw/zinc/70/63/49/870706349.db2.gz SGDOMISIERZWGQ-ZDUSSCGKSA-N 1 1 317.389 1.876 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CCN(CC(N)=O)C(C)(C)C2)cc1 ZINC001203937765 870844074 /nfs/dbraw/zinc/84/40/74/870844074.db2.gz QNUSYTHHLYEZPZ-UHFFFAOYSA-N 1 1 304.438 1.134 20 10 DDCDMO CCOC[C@@H]1C[N@H+](Cc2ccc(O)cc2O)Cc2ncn(C)c21 ZINC001204273427 871032498 /nfs/dbraw/zinc/03/24/98/871032498.db2.gz PGGSVJQXYDSHFZ-ZDUSSCGKSA-N 1 1 317.389 1.967 20 10 DDCDMO CCOC[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)Cc2ncn(C)c21 ZINC001204273427 871032518 /nfs/dbraw/zinc/03/25/18/871032518.db2.gz PGGSVJQXYDSHFZ-ZDUSSCGKSA-N 1 1 317.389 1.967 20 10 DDCDMO CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204273678 871032910 /nfs/dbraw/zinc/03/29/10/871032910.db2.gz FEVIZJXZKNIVKO-CYBMUJFWSA-N 1 1 317.389 1.963 20 10 DDCDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)c(OC)c2)[C@H]1C ZINC001204345200 871066803 /nfs/dbraw/zinc/06/68/03/871066803.db2.gz OGVJEBUTVAKCNN-CMPLNLGQSA-N 1 1 309.362 1.880 20 10 DDCDMO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204350843 871072545 /nfs/dbraw/zinc/07/25/45/871072545.db2.gz KWPJASPOEPXSJG-GFCCVEGCSA-N 1 1 308.378 1.597 20 10 DDCDMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204350843 871072557 /nfs/dbraw/zinc/07/25/57/871072557.db2.gz KWPJASPOEPXSJG-GFCCVEGCSA-N 1 1 308.378 1.597 20 10 DDCDMO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001308624243 871517631 /nfs/dbraw/zinc/51/76/31/871517631.db2.gz PEYCZGUIHIUHDU-LBPRGKRZSA-N 1 1 318.826 1.559 20 10 DDCDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001308624243 871517641 /nfs/dbraw/zinc/51/76/41/871517641.db2.gz PEYCZGUIHIUHDU-LBPRGKRZSA-N 1 1 318.826 1.559 20 10 DDCDMO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c([O-])c1 ZINC001206036724 872007916 /nfs/dbraw/zinc/00/79/16/872007916.db2.gz OZXSCXASAZJXEO-DZGCQCFKSA-N 1 1 320.433 1.915 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c([O-])c1 ZINC001206036724 872007933 /nfs/dbraw/zinc/00/79/33/872007933.db2.gz OZXSCXASAZJXEO-DZGCQCFKSA-N 1 1 320.433 1.915 20 10 DDCDMO Nc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1 ZINC001342700061 872342240 /nfs/dbraw/zinc/34/22/40/872342240.db2.gz PVOKCFAGTWEMDY-QGZVFWFLSA-N 1 1 310.401 1.945 20 10 DDCDMO Nc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1 ZINC001342700061 872342261 /nfs/dbraw/zinc/34/22/61/872342261.db2.gz PVOKCFAGTWEMDY-QGZVFWFLSA-N 1 1 310.401 1.945 20 10 DDCDMO O=C1N[C@@H](C2CC[NH+](Cc3cc(F)c(F)cc3O)CC2)CO1 ZINC001474731712 872368229 /nfs/dbraw/zinc/36/82/29/872368229.db2.gz MTDVFOZAXMIQSI-CYBMUJFWSA-N 1 1 312.316 1.991 20 10 DDCDMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3ccc(O)cc3O)C[N@H+]2C1 ZINC001347043607 873989974 /nfs/dbraw/zinc/98/99/74/873989974.db2.gz LWEFEBSTKGMPSE-XBFCOCLRSA-N 1 1 304.390 1.834 20 10 DDCDMO CN(C)C(=O)c1cc2c([nH]1)C[N@H+](Cc1ccc(O)cc1O)CC2 ZINC001277191606 882921650 /nfs/dbraw/zinc/92/16/50/882921650.db2.gz DXGPBVYKONOGBK-UHFFFAOYSA-N 1 1 315.373 1.686 20 10 DDCDMO CN(C)C(=O)c1cc2c([nH]1)C[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001277191606 882921664 /nfs/dbraw/zinc/92/16/64/882921664.db2.gz DXGPBVYKONOGBK-UHFFFAOYSA-N 1 1 315.373 1.686 20 10 DDCDMO CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001349885580 875433445 /nfs/dbraw/zinc/43/34/45/875433445.db2.gz NHJQRVOOPROKGA-MRXNPFEDSA-N 1 1 304.438 1.038 20 10 DDCDMO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1C[N@@H+](C)CCN1C ZINC001351788644 876432326 /nfs/dbraw/zinc/43/23/26/876432326.db2.gz YMRDPQMNDYZKPP-ZFWWWQNUSA-N 1 1 320.437 1.168 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@]3(CCC[C@@H]3C(N)=O)C2)cc(O)c1O ZINC001277217711 883067656 /nfs/dbraw/zinc/06/76/56/883067656.db2.gz DEKBQRDQCPRQAL-SJKOYZFVSA-N 1 1 320.389 1.584 20 10 DDCDMO CN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc3c(c1)CCCN3C)C2 ZINC001277256951 883260535 /nfs/dbraw/zinc/26/05/35/883260535.db2.gz VDOOBUJBOREFDW-VQIMIIECSA-N 1 1 313.445 1.979 20 10 DDCDMO Cn1ccnc1NC(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001277441220 884294288 /nfs/dbraw/zinc/29/42/88/884294288.db2.gz JVVXRIYRYGCOKW-CXAGYDPISA-N 1 1 312.373 1.586 20 10 DDCDMO COCCN(C)C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccccc1O ZINC001277445767 884327386 /nfs/dbraw/zinc/32/73/86/884327386.db2.gz HROJUJHITCTHFQ-WMLDXEAASA-N 1 1 304.390 1.461 20 10 DDCDMO CC[N@H+]1CC[C@H](Oc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001231271347 885456968 /nfs/dbraw/zinc/45/69/68/885456968.db2.gz ZRTKHSOWGDSMBG-INIZCTEOSA-N 1 1 324.446 1.394 20 10 DDCDMO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(OC)c(O)cc1O ZINC001231640182 885777713 /nfs/dbraw/zinc/77/77/13/885777713.db2.gz QFOQPVJZOZNVGK-BPYAMOTFSA-N 1 1 307.346 1.632 20 10 DDCDMO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cc(OC)c(O)cc1O ZINC001231640182 885777723 /nfs/dbraw/zinc/77/77/23/885777723.db2.gz QFOQPVJZOZNVGK-BPYAMOTFSA-N 1 1 307.346 1.632 20 10 DDCDMO COc1cc(C[N@H+]2CCc3c(cc[nH]c3=O)C2)c(O)cc1O ZINC001231639294 885779226 /nfs/dbraw/zinc/77/92/26/885779226.db2.gz OINAKONFVXNDNX-UHFFFAOYSA-N 1 1 302.330 1.765 20 10 DDCDMO COc1cc(C[N@@H+]2CC(=O)NC3(CCCC3)C2)c(O)cc1O ZINC001231639834 885779920 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CCOC(=O)[C@]1(C)C[N@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000872704167 707564816 /nfs/dbraw/zinc/56/48/16/707564816.db2.gz UQACJAAEKPBEGY-KRWDZBQOSA-N 1 1 323.389 1.863 20 10 DDCDMO CCOC(=O)[C@]1(C)C[N@@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000872704167 707564817 /nfs/dbraw/zinc/56/48/17/707564817.db2.gz UQACJAAEKPBEGY-KRWDZBQOSA-N 1 1 323.389 1.863 20 10 DDCDMO COc1c([O-])c(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000873228169 707778073 /nfs/dbraw/zinc/77/80/73/707778073.db2.gz AMIFOWXXHHNFLT-XHDPSFHLSA-N 1 1 307.350 1.350 20 10 DDCDMO COc1c([O-])c(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000873228169 707778075 /nfs/dbraw/zinc/77/80/75/707778075.db2.gz AMIFOWXXHHNFLT-XHDPSFHLSA-N 1 1 307.350 1.350 20 10 DDCDMO COc1ccc(O)c(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000838475334 707928878 /nfs/dbraw/zinc/92/88/78/707928878.db2.gz ZCOHSIMBHPRNDP-ZDUSSCGKSA-N 1 1 321.421 1.932 20 10 DDCDMO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883132798 707936524 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C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(N2CCOCC2)cc1 ZINC001276635463 874835759 /nfs/dbraw/zinc/83/57/59/874835759.db2.gz LKRGWAYGDWCMFP-ROUUACIJSA-N 1 1 301.434 1.802 20 10 DDCDMO C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(N2CCOCC2)cc1 ZINC001276635463 874835768 /nfs/dbraw/zinc/83/57/68/874835768.db2.gz LKRGWAYGDWCMFP-ROUUACIJSA-N 1 1 301.434 1.802 20 10 DDCDMO CN(C)c1ccc(C[N@H+](C)CN2C[C@@H]3CCO[C@@H]3C2=O)cc1 ZINC001349916883 875452360 /nfs/dbraw/zinc/45/23/60/875452360.db2.gz NVCBPUBFCFXUDA-HOCLYGCPSA-N 1 1 303.406 1.389 20 10 DDCDMO CN(C)c1ccc(C[N@@H+](C)CN2C[C@@H]3CCO[C@@H]3C2=O)cc1 ZINC001349916883 875452366 /nfs/dbraw/zinc/45/23/66/875452366.db2.gz NVCBPUBFCFXUDA-HOCLYGCPSA-N 1 1 303.406 1.389 20 10 DDCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C)cc2O)C[C@H]1C(=O)OC ZINC001352108407 876602097 /nfs/dbraw/zinc/60/20/97/876602097.db2.gz AUIBWNGJHBHZIW-BETUJISGSA-N 1 1 307.346 1.095 20 10 DDCDMO CN(C)C(=O)[C@H]1CCSC12C[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001276914636 881075657 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ISRXWSSRBDHOIJ-UHFFFAOYSA-N 1 1 305.422 1.297 20 10 DDCDMO Cc1ccc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c(O)c1 ZINC000877551854 706140606 /nfs/dbraw/zinc/14/06/06/706140606.db2.gz LUYFXODPILJZTO-HNNXBMFYSA-N 1 1 302.378 1.622 20 10 DDCDMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@]1(OC)CCOC1 ZINC000877598656 706154589 /nfs/dbraw/zinc/15/45/89/706154589.db2.gz JDZKEOZOSNWBDG-QGZVFWFLSA-N 1 1 323.389 1.563 20 10 DDCDMO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@]1(OC)CCOC1 ZINC000877598656 706154590 /nfs/dbraw/zinc/15/45/90/706154590.db2.gz JDZKEOZOSNWBDG-QGZVFWFLSA-N 1 1 323.389 1.563 20 10 DDCDMO Oc1ccc(F)cc1C[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000877677187 706177343 /nfs/dbraw/zinc/17/73/43/706177343.db2.gz OEIXKTZLNAELIU-UHFFFAOYSA-N 1 1 306.341 1.833 20 10 DDCDMO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cc(OC)ccc3O)C2)C1 ZINC000877715563 706187270 /nfs/dbraw/zinc/18/72/70/706187270.db2.gz YICOFZDQRYWODQ-INIZCTEOSA-N 1 1 320.345 1.295 20 10 DDCDMO Cn1nnnc1CC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000877922484 706241990 /nfs/dbraw/zinc/24/19/90/706241990.db2.gz SIJMAQFDBKNEPG-UHFFFAOYSA-N 1 1 314.437 1.875 20 10 DDCDMO C[C@@H](NC(=S)NCCC[NH+]1CCOCC1)c1ccccc1O ZINC000865269134 706393311 /nfs/dbraw/zinc/39/33/11/706393311.db2.gz BAGPJRIYJGFGOD-CYBMUJFWSA-N 1 1 323.462 1.640 20 10 DDCDMO COc1ccc(O)c(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)c1 ZINC000865463095 706438270 /nfs/dbraw/zinc/43/82/70/706438270.db2.gz GYTWUVBMVIJUEY-LBPRGKRZSA-N 1 1 318.377 1.319 20 10 DDCDMO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cnnn1C ZINC000926853058 712912860 /nfs/dbraw/zinc/91/28/60/712912860.db2.gz BUEXPLSMCACCGK-AWEZNQCLSA-N 1 1 314.437 1.418 20 10 DDCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H](C)N1CCOCC1 ZINC000882986944 707886231 /nfs/dbraw/zinc/88/62/31/707886231.db2.gz ONWLKWCMKPZUFI-GHMZBOCLSA-N 1 1 300.349 1.869 20 10 DDCDMO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2F)C1 ZINC000896637919 708104365 /nfs/dbraw/zinc/10/43/65/708104365.db2.gz RJTYRVIECMNOOH-MNOVXSKESA-N 1 1 301.383 1.977 20 10 DDCDMO CNC(=O)CN1CCC([NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886501486 708768886 /nfs/dbraw/zinc/76/88/86/708768886.db2.gz MPWYOZIDPZATLI-NSHDSACASA-N 1 1 309.385 1.392 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000886577901 708780363 /nfs/dbraw/zinc/78/03/63/708780363.db2.gz BIMGVJPQXQWHFM-UAGQMJEPSA-N 1 1 317.433 1.072 20 10 DDCDMO COc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c(O)c1OC ZINC000891646741 710256800 /nfs/dbraw/zinc/25/68/00/710256800.db2.gz AHZIFDBNXIYPHM-PWSUYJOCSA-N 1 1 308.378 1.495 20 10 DDCDMO COc1ccc(N(C)CC[N@H+](C)CN2C[C@@H]3C[C@@H]3C2=O)cc1 ZINC000902303641 710705834 /nfs/dbraw/zinc/70/58/34/710705834.db2.gz YIOTWLHIBLQICO-BBRMVZONSA-N 1 1 303.406 1.499 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)CN2C[C@@H]3C[C@@H]3C2=O)cc1 ZINC000902303641 710705838 /nfs/dbraw/zinc/70/58/38/710705838.db2.gz YIOTWLHIBLQICO-BBRMVZONSA-N 1 1 303.406 1.499 20 10 DDCDMO CO[C@@]1(C[NH2+][C@H](C)c2ccc(F)cc2O)CCS(=O)(=O)C1 ZINC000903365413 711105387 /nfs/dbraw/zinc/10/53/87/711105387.db2.gz NCXZTHXAVAQUOM-QMTHXVAHSA-N 1 1 317.382 1.386 20 10 DDCDMO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC000903978408 711355440 /nfs/dbraw/zinc/35/54/40/711355440.db2.gz DQNNVCBMAOYAAI-USBNGQNGSA-N 1 1 324.808 1.758 20 10 DDCDMO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC000903978408 711355446 /nfs/dbraw/zinc/35/54/46/711355446.db2.gz DQNNVCBMAOYAAI-USBNGQNGSA-N 1 1 324.808 1.758 20 10 DDCDMO COc1ccc(C[N@@H+](C)[C@H]2CN3CCC2CC3)c(O)c1OC ZINC000895811784 711613654 /nfs/dbraw/zinc/61/36/54/711613654.db2.gz VJRCIDNDONNRBD-AWEZNQCLSA-N 1 1 306.406 1.935 20 10 DDCDMO COc1ccc(CN(C)[C@H]2C[NH+]3CCC2CC3)c(O)c1OC ZINC000895811784 711613655 /nfs/dbraw/zinc/61/36/55/711613655.db2.gz VJRCIDNDONNRBD-AWEZNQCLSA-N 1 1 306.406 1.935 20 10 DDCDMO [NH3+][C@@]1(CO)CCCN(Cc2cccc(Br)c2O)C1 ZINC000904401691 711853018 /nfs/dbraw/zinc/85/30/18/711853018.db2.gz JVMLJYSQROWHHC-ZDUSSCGKSA-N 1 1 315.211 1.440 20 10 DDCDMO CCC[N@H+]1CCC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000907057641 712476685 /nfs/dbraw/zinc/47/66/85/712476685.db2.gz RQNJOHPQXPCUCE-CQSZACIVSA-N 1 1 306.406 1.879 20 10 DDCDMO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(CO)on1 ZINC000924750541 714655741 /nfs/dbraw/zinc/65/57/41/714655741.db2.gz FUOFSNZHMJWOLL-CYBMUJFWSA-N 1 1 317.389 1.854 20 10 DDCDMO C[N@H+]1CC[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000925411927 714847391 /nfs/dbraw/zinc/84/73/91/714847391.db2.gz RKUXNYCAEASOPW-ZDUSSCGKSA-N 1 1 303.406 1.774 20 10 DDCDMO Nc1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000926141442 715012854 /nfs/dbraw/zinc/01/28/54/715012854.db2.gz DHTJFQXPHWQUNV-KBPBESRZSA-N 1 1 306.435 1.970 20 10 DDCDMO NC(=O)[C@@H](F)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC001207402422 736101329 /nfs/dbraw/zinc/10/13/29/736101329.db2.gz ABTAOCPAPDCZAU-LBPRGKRZSA-N 1 1 302.296 1.706 20 10 DDCDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCCc1cc(O)c(O)cc1O ZINC001181996655 743426375 /nfs/dbraw/zinc/42/63/75/743426375.db2.gz MLVVTROKVKDSFE-GFCCVEGCSA-N 1 1 308.378 1.337 20 10 DDCDMO COc1cc(C(=O)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(O)c1O ZINC001193118725 745983864 /nfs/dbraw/zinc/98/38/64/745983864.db2.gz AEIZMSUFPXVRFG-XYYAHUGASA-N 1 1 320.389 1.852 20 10 DDCDMO CC(=O)N1CCC[C@@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001169628053 762551885 /nfs/dbraw/zinc/55/18/85/762551885.db2.gz AFDKWCRXAHLUQD-OAHLLOKOSA-N 1 1 304.390 1.857 20 10 DDCDMO CCO[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)[C@@H]2CCCO[C@H]12 ZINC001144509439 772557091 /nfs/dbraw/zinc/55/70/91/772557091.db2.gz BBBHKDHTSWVGBS-WQVCFCJDSA-N 1 1 309.362 1.572 20 10 DDCDMO Cc1nccnc1O[C@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515967 772558912 /nfs/dbraw/zinc/55/89/12/772558912.db2.gz KXADWFQTUIVBQV-LBPRGKRZSA-N 1 1 317.345 1.555 20 10 DDCDMO C[N@H+]1CCC[C@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@@H]21 ZINC001179687602 779446788 /nfs/dbraw/zinc/44/67/88/779446788.db2.gz ZXKLOHDSUWRCQD-MPCGPATOSA-N 1 1 302.374 1.664 20 10 DDCDMO O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001116510601 780516879 /nfs/dbraw/zinc/51/68/79/780516879.db2.gz UXMVNHYGHWQBPZ-BRLPQQTGSA-N 1 1 302.374 1.808 20 10 DDCDMO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001119374927 781427534 /nfs/dbraw/zinc/42/75/34/781427534.db2.gz JWEDFAUGVHGLHR-RHSMWYFYSA-N 1 1 316.449 1.053 20 10 DDCDMO C[NH+]1CCN(C2CCN(C(=O)Nc3ccc(N)cc3)CC2)CC1 ZINC000202035098 839420941 /nfs/dbraw/zinc/42/09/41/839420941.db2.gz MTLYSPUSDBOUCG-UHFFFAOYSA-N 1 1 317.437 1.513 20 10 DDCDMO C[N@@H+]1CCO[C@@]2(CCCN(C(=O)c3ccc(O)c(O)c3)C2)C1 ZINC001270032709 842243386 /nfs/dbraw/zinc/24/33/86/842243386.db2.gz MDOVLZRAJSMZJV-INIZCTEOSA-N 1 1 306.362 1.035 20 10 DDCDMO C[N@H+]1CCO[C@@]2(CCCN(C(=O)c3ccc(O)c(O)c3)C2)C1 ZINC001270032709 842243401 /nfs/dbraw/zinc/24/34/01/842243401.db2.gz MDOVLZRAJSMZJV-INIZCTEOSA-N 1 1 306.362 1.035 20 10 DDCDMO CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001272639303 846445502 /nfs/dbraw/zinc/44/55/02/846445502.db2.gz YKAZHFWTULSDQB-INIZCTEOSA-N 1 1 324.808 1.726 20 10 DDCDMO CC(C)[NH+]1CC2(C1)COCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001273924327 851512100 /nfs/dbraw/zinc/51/21/00/851512100.db2.gz IBRPNDLNKJILSD-UHFFFAOYSA-N 1 1 317.433 1.574 20 10 DDCDMO Cc1cccc(O)c1C[NH+]1CC2(C1)CN(CC(C)C)C(=O)CO2 ZINC001274304347 852142155 /nfs/dbraw/zinc/14/21/55/852142155.db2.gz SRKOZTHSJBAECQ-UHFFFAOYSA-N 1 1 318.417 1.770 20 10 DDCDMO CC(C)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H](C1)O2 ZINC001275267788 852941977 /nfs/dbraw/zinc/94/19/77/852941977.db2.gz WWMASFUMDDNNCI-GASCZTMLSA-N 1 1 319.405 1.395 20 10 DDCDMO CC(C)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3O)C[C@H](C1)O2 ZINC001275267788 852941979 /nfs/dbraw/zinc/94/19/79/852941979.db2.gz WWMASFUMDDNNCI-GASCZTMLSA-N 1 1 319.405 1.395 20 10 DDCDMO Oc1ccc(C[N@H+]2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)c(O)c1 ZINC001275953288 854011799 /nfs/dbraw/zinc/01/17/99/854011799.db2.gz VUYXKRNQUGRJLM-WMZOPIPTSA-N 1 1 318.417 1.925 20 10 DDCDMO Oc1ccc(CN2C[C@@H]3OCC[N@H+](C4CCCC4)[C@H]3C2)c(O)c1 ZINC001275953288 854011802 /nfs/dbraw/zinc/01/18/02/854011802.db2.gz VUYXKRNQUGRJLM-WMZOPIPTSA-N 1 1 318.417 1.925 20 10 DDCDMO Oc1ccc(CN2C[C@@H]3OCC[N@@H+](C4CCCC4)[C@H]3C2)c(O)c1 ZINC001275953288 854011804 /nfs/dbraw/zinc/01/18/04/854011804.db2.gz VUYXKRNQUGRJLM-WMZOPIPTSA-N 1 1 318.417 1.925 20 10 DDCDMO C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001276359903 855716033 /nfs/dbraw/zinc/71/60/33/855716033.db2.gz MXWJGIHMSWMADA-UHFFFAOYSA-N 1 1 321.440 1.991 20 10 DDCDMO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c(OC)c1 ZINC001276995373 881526239 /nfs/dbraw/zinc/52/62/39/881526239.db2.gz ZSCLQZSIALWWRK-HOTGVXAUSA-N 1 1 319.449 1.918 20 10 DDCDMO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)c(OC)c1 ZINC001276995373 881526255 /nfs/dbraw/zinc/52/62/55/881526255.db2.gz ZSCLQZSIALWWRK-HOTGVXAUSA-N 1 1 319.449 1.918 20 10 DDCDMO CC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001139410978 860390668 /nfs/dbraw/zinc/39/06/68/860390668.db2.gz OFRSHSMVJBVHBD-KRWDZBQOSA-N 1 1 301.434 1.849 20 10 DDCDMO CC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001139410978 860390678 /nfs/dbraw/zinc/39/06/78/860390678.db2.gz OFRSHSMVJBVHBD-KRWDZBQOSA-N 1 1 301.434 1.849 20 10 DDCDMO COCCn1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001139782157 860483261 /nfs/dbraw/zinc/48/32/61/860483261.db2.gz ZOVGFZFBQPLADZ-UHFFFAOYSA-N 1 1 317.389 1.889 20 10 DDCDMO COCCn1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001139782157 860483268 /nfs/dbraw/zinc/48/32/68/860483268.db2.gz ZOVGFZFBQPLADZ-UHFFFAOYSA-N 1 1 317.389 1.889 20 10 DDCDMO O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140341612 860621304 /nfs/dbraw/zinc/62/13/04/860621304.db2.gz ZHBYDTCNLPSWQO-UHFFFAOYSA-N 1 1 307.737 1.805 20 10 DDCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3O[C@H](C(=O)NC(C)C)C[C@H]32)c1 ZINC001140620078 860663000 /nfs/dbraw/zinc/66/30/00/860663000.db2.gz BSUAZGACXHBOLY-OIISXLGYSA-N 1 1 318.417 1.957 20 10 DDCDMO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2F)CC[N@H+]1C ZINC001140664040 860670684 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CC(=O)c1cc(F)cc(C[N@H+]2CC[C@](O)(C(F)F)C2)c1O ZINC000831175566 706650675 /nfs/dbraw/zinc/65/06/75/706650675.db2.gz MNTHWWCWNUWEHL-CQSZACIVSA-N 1 1 303.280 1.936 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000840918248 702279541 /nfs/dbraw/zinc/27/95/41/702279541.db2.gz QMNHPBHIYIYHTC-CQSZACIVSA-N 1 1 311.451 1.185 20 10 DDCDMO COc1ccc(N2CCN(CC[NH2+][C@H]3CCC[C@@H]3N)CC2)cc1 ZINC000817893533 702510751 /nfs/dbraw/zinc/51/07/51/702510751.db2.gz GNVQCOZALSZFOP-ROUUACIJSA-N 1 1 318.465 1.287 20 10 DDCDMO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)c1 ZINC000843433771 702880895 /nfs/dbraw/zinc/88/08/95/702880895.db2.gz COKIDVYKNNDNNI-OLZOCXBDSA-N 1 1 309.362 1.147 20 10 DDCDMO COc1cccc([C@@H](C)[NH2+]CCCN2CCN(C)CC2)c1O ZINC000846136289 703241587 /nfs/dbraw/zinc/24/15/87/703241587.db2.gz KAQOSVVTRSOECY-CQSZACIVSA-N 1 1 307.438 1.689 20 10 DDCDMO Oc1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@H]1CNCCO1 ZINC000852742825 704111505 /nfs/dbraw/zinc/11/15/05/704111505.db2.gz OBDXGYLCGFKVGH-HZPDHXFCSA-N 1 1 306.406 1.362 20 10 DDCDMO Oc1ccccc1CN(C[C@H]1CCCO1)C[C@H]1C[NH2+]CCO1 ZINC000852742825 704111506 /nfs/dbraw/zinc/11/15/06/704111506.db2.gz OBDXGYLCGFKVGH-HZPDHXFCSA-N 1 1 306.406 1.362 20 10 DDCDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)c1O ZINC000821328884 704391600 /nfs/dbraw/zinc/39/16/00/704391600.db2.gz SCWDFXFVBHQLPG-OKILXGFUSA-N 1 1 320.364 1.644 20 10 DDCDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855231124 704474341 /nfs/dbraw/zinc/47/43/41/704474341.db2.gz KIOUPHORKLSOIW-CQSZACIVSA-N 1 1 305.422 1.732 20 10 DDCDMO C[C@H](CCO)CC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000824515099 705469239 /nfs/dbraw/zinc/46/92/39/705469239.db2.gz FECTYWZDJHEAGI-INIZCTEOSA-N 1 1 305.466 1.937 20 10 DDCDMO Cn1nccc1C([NH2+]Cc1cc(F)ccc1O)c1ccnn1C ZINC000862539547 705729076 /nfs/dbraw/zinc/72/90/76/705729076.db2.gz PDHQILDNLIFXGR-UHFFFAOYSA-N 1 1 315.352 1.878 20 10 DDCDMO CO[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@H]1O ZINC000826083203 705770706 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CC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC001118018756 780990845 /nfs/dbraw/zinc/99/08/45/780990845.db2.gz KEXURBDLTICZNW-UHFFFAOYSA-N 1 1 304.394 1.150 20 10 DDCDMO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]2CC1 ZINC001270070062 842269765 /nfs/dbraw/zinc/26/97/65/842269765.db2.gz UCYUSLLQTKTRPY-PHIMTYICSA-N 1 1 306.362 1.217 20 10 DDCDMO CN(C)c1ccc([C@H](O)C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)C3)cc1 ZINC001272781936 847421396 /nfs/dbraw/zinc/42/13/96/847421396.db2.gz JAJLAPKEJGGVHN-XHSDSOJGSA-N 1 1 303.406 1.091 20 10 DDCDMO CN(C)c1ccc([C@H](O)C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)C3)cc1 ZINC001272781936 847421403 /nfs/dbraw/zinc/42/14/03/847421403.db2.gz JAJLAPKEJGGVHN-XHSDSOJGSA-N 1 1 303.406 1.091 20 10 DDCDMO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(O)cc2O)N1C1COC1 ZINC001272989020 847750312 /nfs/dbraw/zinc/75/03/12/847750312.db2.gz YQKWOXRGBQZYNT-HUUCEWRRSA-N 1 1 318.373 1.062 20 10 DDCDMO CC[N@H+]1CCCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001034288654 848261447 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Cc1cc(=O)oc2c1ccc(O)c2CN1CC2(C1)CC[N@H+](C)C2 ZINC001276826069 880151477 /nfs/dbraw/zinc/15/14/77/880151477.db2.gz GPWYUESUMATDAD-UHFFFAOYSA-N 1 1 314.385 1.945 20 10 DDCDMO Cc1cc([O-])c(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1Cl ZINC001222099395 880249677 /nfs/dbraw/zinc/24/96/77/880249677.db2.gz FDRWVPGXHQDXRW-UHFFFAOYSA-N 1 1 309.841 1.881 20 10 DDCDMO Cc1cc([O-])c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1Cl ZINC001222099395 880249695 /nfs/dbraw/zinc/24/96/95/880249695.db2.gz FDRWVPGXHQDXRW-UHFFFAOYSA-N 1 1 309.841 1.881 20 10 DDCDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2O)Cc2ccnn21 ZINC001277440781 884289512 /nfs/dbraw/zinc/28/95/12/884289512.db2.gz DVTMQAWOYVXULK-OAHLLOKOSA-N 1 1 314.389 1.624 20 10 DDCDMO O=C(Nc1nnco1)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccccc1O ZINC001277441224 884292387 /nfs/dbraw/zinc/29/23/87/884292387.db2.gz JWVCZYPNBGKPNK-XHDPSFHLSA-N 1 1 300.318 1.378 20 10 DDCDMO O=C(Nc1nnco1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccccc1O ZINC001277441224 884292405 /nfs/dbraw/zinc/29/24/05/884292405.db2.gz JWVCZYPNBGKPNK-XHDPSFHLSA-N 1 1 300.318 1.378 20 10 DDCDMO CCOc1cccc(C[N@H+]2C[C@H]3C[C@H](CC(N)=O)O[C@H]3C2)c1O ZINC001277454085 884444242 /nfs/dbraw/zinc/44/42/42/884444242.db2.gz MWBZOEJDZWGEKO-NFAWXSAZSA-N 1 1 320.389 1.256 20 10 DDCDMO CCNC(=O)CO[C@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC001231593635 885756858 /nfs/dbraw/zinc/75/68/58/885756858.db2.gz KPXAQUQWASPFLN-HNNXBMFYSA-N 1 1 306.406 1.818 20 10 DDCDMO COc1cc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c(O)cc1O ZINC001231639237 885779367 /nfs/dbraw/zinc/77/93/67/885779367.db2.gz GGOUYDMXABRYAT-GFCCVEGCSA-N 1 1 304.350 1.535 20 10 DDCDMO COc1cc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c(O)cc1O ZINC001231639239 885779753 /nfs/dbraw/zinc/77/97/53/885779753.db2.gz GGOUYDMXABRYAT-LBPRGKRZSA-N 1 1 304.350 1.535 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2OC)CCCO1 ZINC001231858344 885909981 /nfs/dbraw/zinc/90/99/81/885909981.db2.gz UJRFMTPYVJIDKL-INIZCTEOSA-N 1 1 322.405 1.525 20 10 DDCDMO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2O)C1 ZINC001232840960 886629011 /nfs/dbraw/zinc/62/90/11/886629011.db2.gz OJLSIEQLQVKWMG-MRXNPFEDSA-N 1 1 305.422 1.901 20 10 DDCDMO Cc1ccnc(O[C@H]2CC[N@@H+](Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233487596 887021723 /nfs/dbraw/zinc/02/17/23/887021723.db2.gz KISKXOLYYBHANA-LBPRGKRZSA-N 1 1 317.345 1.555 20 10 DDCDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233728240 887252155 /nfs/dbraw/zinc/25/21/55/887252155.db2.gz UUZJFBZOGCUKGZ-VIFPVBQESA-N 1 1 304.268 1.741 20 10 DDCDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)ccc2O)C[C@@H]1N ZINC001236362985 889217247 /nfs/dbraw/zinc/21/72/47/889217247.db2.gz ZALZZSATFXUKNI-KGLIPLIRSA-N 1 1 306.406 1.622 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C[C@@H]1N ZINC001236362985 889217260 /nfs/dbraw/zinc/21/72/60/889217260.db2.gz ZALZZSATFXUKNI-KGLIPLIRSA-N 1 1 306.406 1.622 20 10 DDCDMO COC(=O)CO[C@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236815396 889368738 /nfs/dbraw/zinc/36/87/38/889368738.db2.gz KWCNPUOKKBTOIY-LBPRGKRZSA-N 1 1 309.362 1.473 20 10 DDCDMO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1cc(F)c(Cl)cc1O ZINC001237939454 889949321 /nfs/dbraw/zinc/94/93/21/889949321.db2.gz DUSGOPIPRUFYOH-LBPRGKRZSA-N 1 1 316.760 1.474 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1cc(F)c(Cl)cc1O ZINC001237939454 889949336 /nfs/dbraw/zinc/94/93/36/889949336.db2.gz DUSGOPIPRUFYOH-LBPRGKRZSA-N 1 1 316.760 1.474 20 10 DDCDMO CC[N@H+]1CCO[C@@H]2CN(Cc3cc(F)cc(C)c3O)C[C@@H]2C1 ZINC001238061190 890006580 /nfs/dbraw/zinc/00/65/80/890006580.db2.gz NQRNOYPIGQCSRY-GOEBONIOSA-N 1 1 308.397 1.992 20 10 DDCDMO CCN1CCO[C@@H]2C[N@H+](Cc3cc(F)cc(C)c3O)C[C@@H]2C1 ZINC001238061190 890006595 /nfs/dbraw/zinc/00/65/95/890006595.db2.gz NQRNOYPIGQCSRY-GOEBONIOSA-N 1 1 308.397 1.992 20 10 DDCDMO CCN1CCO[C@@H]2C[N@@H+](Cc3cc(F)cc(C)c3O)C[C@@H]2C1 ZINC001238061190 890006609 /nfs/dbraw/zinc/00/66/09/890006609.db2.gz NQRNOYPIGQCSRY-GOEBONIOSA-N 1 1 308.397 1.992 20 10 DDCDMO Cc1cc(F)cc(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)c1O ZINC001238066690 890009374 /nfs/dbraw/zinc/00/93/74/890009374.db2.gz IXKHPPDEOZTAPA-HNNXBMFYSA-N 1 1 305.353 1.803 20 10 DDCDMO Cc1cc(F)cc(C[N@H+]2Cc3ccnn3CC[C@H]2CO)c1O ZINC001238066690 890009390 /nfs/dbraw/zinc/00/93/90/890009390.db2.gz IXKHPPDEOZTAPA-HNNXBMFYSA-N 1 1 305.353 1.803 20 10 DDCDMO CC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000008111757 352131563 /nfs/dbraw/zinc/13/15/63/352131563.db2.gz BBOUBVGLSOCYLR-LLVKDONJSA-N 1 1 313.375 1.130 20 10 DDCDMO CC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000008111757 352131564 /nfs/dbraw/zinc/13/15/64/352131564.db2.gz BBOUBVGLSOCYLR-LLVKDONJSA-N 1 1 313.375 1.130 20 10 DDCDMO COc1ccc(N2CCC([N@@H+](C)CC(=O)NC3CC3)CC2)cc1 ZINC000072801257 353215973 /nfs/dbraw/zinc/21/59/73/353215973.db2.gz FEPNKPAJCFLXDJ-UHFFFAOYSA-N 1 1 317.433 1.874 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000273364837 130112491 /nfs/dbraw/zinc/11/24/91/130112491.db2.gz DVWJPSWYHJCNPU-GFCCVEGCSA-N 1 1 320.389 1.842 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cn2cncn2)c1 ZINC000273596396 130142065 /nfs/dbraw/zinc/14/20/65/130142065.db2.gz QSOQZXIZPSKNMT-QWRGUYRKSA-N 1 1 304.350 1.510 20 10 DDCDMO COCC[NH+](CCOC)C1CCN(Cc2ccccc2O)CC1 ZINC000289181605 131363441 /nfs/dbraw/zinc/36/34/41/131363441.db2.gz AIRJLYLMXGCHEP-UHFFFAOYSA-N 1 1 322.449 1.951 20 10 DDCDMO CN(C)c1ccc(CNC(=O)CN2CC[N@@H+](C)CC2(C)C)cc1 ZINC000299498262 132108018 /nfs/dbraw/zinc/10/80/18/132108018.db2.gz BGZMNGMJWXBCKG-UHFFFAOYSA-N 1 1 318.465 1.395 20 10 DDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC(C)(C)C1)cc2=O ZINC000072828182 406887179 /nfs/dbraw/zinc/88/71/79/406887179.db2.gz IRCOFZPHDZQYSX-UHFFFAOYSA-N 1 1 318.377 1.844 20 10 DDCDMO CCN(CC)C(=O)N1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000271055627 407489543 /nfs/dbraw/zinc/48/95/43/407489543.db2.gz SZMBSGIQYJUREE-UHFFFAOYSA-N 1 1 321.421 1.980 20 10 DDCDMO CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1O ZINC000270975851 407444403 /nfs/dbraw/zinc/44/44/03/407444403.db2.gz WSYXPMPIEHVEAW-ZBFHGGJFSA-N 1 1 305.422 1.072 20 10 DDCDMO CN(C)c1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CC2)cc1 ZINC000185981065 407557438 /nfs/dbraw/zinc/55/74/38/407557438.db2.gz BNTINMKIUSSGTP-UHFFFAOYSA-N 1 1 304.438 1.988 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000179602259 407813866 /nfs/dbraw/zinc/81/38/66/407813866.db2.gz CMRJMQHQQNZXFW-INIZCTEOSA-N 1 1 312.369 1.813 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000179602259 407813872 /nfs/dbraw/zinc/81/38/72/407813872.db2.gz CMRJMQHQQNZXFW-INIZCTEOSA-N 1 1 312.369 1.813 20 10 DDCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@H](C(N)=O)C2)c1O ZINC000183449057 408412711 /nfs/dbraw/zinc/41/27/11/408412711.db2.gz FDIRXUYUBHVFGY-VIFPVBQESA-N 1 1 313.195 1.770 20 10 DDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H](C)[C@@H]1C)cc2=O ZINC000177909186 408735476 /nfs/dbraw/zinc/73/54/76/408735476.db2.gz AXBNHDYPKPHJCX-QWRGUYRKSA-N 1 1 318.377 1.842 20 10 DDCDMO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)c1 ZINC000185364310 408801184 /nfs/dbraw/zinc/80/11/84/408801184.db2.gz KWOKKNSHVGXKJV-KBPBESRZSA-N 1 1 307.438 1.687 20 10 DDCDMO CCOCC[N@H+]1CCN(C(=O)Cc2ccc(N)cc2)C[C@H]1CC ZINC000168074898 408818132 /nfs/dbraw/zinc/81/81/32/408818132.db2.gz JWOPTYYVRODRCO-QGZVFWFLSA-N 1 1 319.449 1.771 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000280978957 408868707 /nfs/dbraw/zinc/86/87/07/408868707.db2.gz VZHYBQPETDYTMH-YUTCNCBUSA-N 1 1 323.389 1.474 20 10 DDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H](C)[C@H]3C)CC2)cc1 ZINC000293196551 409066147 /nfs/dbraw/zinc/06/61/47/409066147.db2.gz XKVFBUFYPNKFKG-LSDHHAIUSA-N 1 1 317.433 1.684 20 10 DDCDMO COC1CCN(c2ccc(C[N@@H+](C)CCOCCO)cc2)CC1 ZINC000295139789 409340061 /nfs/dbraw/zinc/34/00/61/409340061.db2.gz DPNSMWDACCAHGT-UHFFFAOYSA-N 1 1 322.449 1.743 20 10 DDCDMO COc1nccnc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000296322283 409504533 /nfs/dbraw/zinc/50/45/33/409504533.db2.gz HCRGKEAWDOOOSG-UHFFFAOYSA-N 1 1 314.389 1.612 20 10 DDCDMO C[C@@H]1COCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000374351117 418521280 /nfs/dbraw/zinc/52/12/80/418521280.db2.gz MCVVSEYZXOPCCT-AWEZNQCLSA-N 1 1 305.422 1.337 20 10 DDCDMO C[C@@H]1COCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000374351117 418521283 /nfs/dbraw/zinc/52/12/83/418521283.db2.gz MCVVSEYZXOPCCT-AWEZNQCLSA-N 1 1 305.422 1.337 20 10 DDCDMO COc1cccc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000367472467 418604516 /nfs/dbraw/zinc/60/45/16/418604516.db2.gz MKZZUMQSIZLKSZ-MRXNPFEDSA-N 1 1 319.449 1.613 20 10 DDCDMO CC[C@H](c1ccccc1O)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000368051959 418680055 /nfs/dbraw/zinc/68/00/55/418680055.db2.gz RHMMVXDAFDKMIV-MLGOLLRUSA-N 1 1 303.362 1.517 20 10 DDCDMO COc1cccc(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)c1O ZINC000370352971 418743038 /nfs/dbraw/zinc/74/30/38/418743038.db2.gz HGIHHTGDFREPBN-ZIAGYGMSSA-N 1 1 304.390 1.891 20 10 DDCDMO COc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1O ZINC000362333473 418752276 /nfs/dbraw/zinc/75/22/76/418752276.db2.gz DBIHNKMCWGYSNB-KBPBESRZSA-N 1 1 304.390 1.891 20 10 DDCDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)nn1 ZINC000363915643 418770888 /nfs/dbraw/zinc/77/08/88/418770888.db2.gz ANOMKYKRZWEZDG-LBPRGKRZSA-N 1 1 320.324 1.356 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](c3nnc[nH]3)C1)OCO2 ZINC000371332002 418779357 /nfs/dbraw/zinc/77/93/57/418779357.db2.gz MICIWVIFLITFSI-SNVBAGLBSA-N 1 1 302.334 1.619 20 10 DDCDMO Cc1ccc(O)c(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000371419121 418790145 /nfs/dbraw/zinc/79/01/45/418790145.db2.gz JHBJQCQQTSOSMJ-KRWDZBQOSA-N 1 1 303.450 1.912 20 10 DDCDMO Cc1ccc(O)c(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000371419121 418790147 /nfs/dbraw/zinc/79/01/47/418790147.db2.gz JHBJQCQQTSOSMJ-KRWDZBQOSA-N 1 1 303.450 1.912 20 10 DDCDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000372886505 418912245 /nfs/dbraw/zinc/91/22/45/418912245.db2.gz YBTLSHZSGXQKPH-NSHDSACASA-N 1 1 301.346 1.844 20 10 DDCDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1c(F)ccc(O)c1O ZINC000530277506 421590934 /nfs/dbraw/zinc/59/09/34/421590934.db2.gz VPZJDOJFWUMAKI-NSHDSACASA-N 1 1 308.353 1.984 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](CO)SC)c1 ZINC000273597392 277435845 /nfs/dbraw/zinc/43/58/45/277435845.db2.gz QYEYPPMMTSLBPZ-PKFCDNJMSA-N 1 1 313.419 1.942 20 10 DDCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000363766558 332244021 /nfs/dbraw/zinc/24/40/21/332244021.db2.gz IHMKXNQHDKIEHS-ZIAGYGMSSA-N 1 1 306.406 1.868 20 10 DDCDMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000092097951 696592571 /nfs/dbraw/zinc/59/25/71/696592571.db2.gz WABJHDUANJNDIO-INIZCTEOSA-N 1 1 303.406 1.234 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000103134722 696612795 /nfs/dbraw/zinc/61/27/95/696612795.db2.gz HDDQMWDHYWLBSM-INIZCTEOSA-N 1 1 301.342 1.919 20 10 DDCDMO C[N@@H+](CCn1cccn1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000125282488 696751624 /nfs/dbraw/zinc/75/16/24/696751624.db2.gz VRZIMJBDURJSOS-UHFFFAOYSA-N 1 1 318.396 1.991 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c(O)cc1C ZINC000160295087 697316358 /nfs/dbraw/zinc/31/63/58/697316358.db2.gz RQVORPBSIWVXRZ-OAHLLOKOSA-N 1 1 320.433 1.863 20 10 DDCDMO C[NH+](C)C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000179633719 697439901 /nfs/dbraw/zinc/43/99/01/697439901.db2.gz GNEUNIFOZJKWLO-QGZVFWFLSA-N 1 1 303.450 1.907 20 10 DDCDMO COC[C@@H](CCO)[NH2+]Cc1cccc(Br)c1O ZINC000219116921 697753547 /nfs/dbraw/zinc/75/35/47/697753547.db2.gz TXBXYPIYILOXLS-SNVBAGLBSA-N 1 1 304.184 1.642 20 10 DDCDMO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cccc(Br)c1O ZINC000227974420 697772634 /nfs/dbraw/zinc/77/26/34/697772634.db2.gz MFZNYSVKNYVOMW-RNCFNFMXSA-N 1 1 316.195 1.784 20 10 DDCDMO COc1c(O)c(C[NH2+]CCCn2cncn2)ccc1[N+](=O)[O-] ZINC000774997118 697951861 /nfs/dbraw/zinc/95/18/61/697951861.db2.gz LDZFTXJPOPFWIO-UHFFFAOYSA-N 1 1 307.310 1.080 20 10 DDCDMO Cc1cccc(C[NH+]2CCN(C(=O)c3cccn3C)CC2)c1O ZINC000775645316 698018270 /nfs/dbraw/zinc/01/82/70/698018270.db2.gz JNJKUCJGBUGFMC-UHFFFAOYSA-N 1 1 313.401 1.997 20 10 DDCDMO 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CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015100791 744733981 /nfs/dbraw/zinc/73/39/81/744733981.db2.gz DNLYOOLLSNZJIY-OCCSQVGLSA-N 1 1 321.421 1.949 20 10 DDCDMO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 ZINC001193612577 746149093 /nfs/dbraw/zinc/14/90/93/746149093.db2.gz QEVHIYJCANFQCI-SKDRFNHKSA-N 1 1 310.781 1.917 20 10 DDCDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@@H]21 ZINC001193612577 746149097 /nfs/dbraw/zinc/14/90/97/746149097.db2.gz QEVHIYJCANFQCI-SKDRFNHKSA-N 1 1 310.781 1.917 20 10 DDCDMO CCc1ncnc2c1CC[N@@H+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144509505 772557352 /nfs/dbraw/zinc/55/73/52/772557352.db2.gz CKYZGKKOBUTDGJ-UHFFFAOYSA-N 1 1 315.373 1.757 20 10 DDCDMO COC(=O)CN(C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116439770 780509101 /nfs/dbraw/zinc/50/91/01/780509101.db2.gz RZONIMAIOUNCDQ-UHFFFAOYSA-N 1 1 309.385 1.182 20 10 DDCDMO O=C1N(C2COC2)CC[C@@]12CC[N@@H+](Cc1cccc(F)c1O)C2 ZINC001273303738 849372054 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CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359165 860073247 /nfs/dbraw/zinc/07/32/47/860073247.db2.gz LRMQAWNBQNOYKM-INIZCTEOSA-N 1 1 316.449 1.962 20 10 DDCDMO COc1cc(CN2CCC(CO)CC2)cc(C[NH+](C)C)c1O ZINC001139254349 860336014 /nfs/dbraw/zinc/33/60/14/860336014.db2.gz HOEWIVAALYUYOS-UHFFFAOYSA-N 1 1 308.422 1.667 20 10 DDCDMO COc1cc(CN2CC[C@@H](O)[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139256288 860339070 /nfs/dbraw/zinc/33/90/70/860339070.db2.gz XYNYXMUDYGJELD-IUODEOHRSA-N 1 1 308.422 1.665 20 10 DDCDMO OC[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C[C@@H]1O ZINC001140098625 860575539 /nfs/dbraw/zinc/57/55/39/860575539.db2.gz IINSCOKWMXRLED-RNCFNFMXSA-N 1 1 316.195 1.330 20 10 DDCDMO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184716 860588001 /nfs/dbraw/zinc/58/80/01/860588001.db2.gz FPOGMJBDSYVARF-CQSZACIVSA-N 1 1 306.406 1.736 20 10 DDCDMO COC[C@H]1C[N@H+](Cc2cc(C)ccc2O)Cc2nnn(C)c21 ZINC001140619826 860663259 /nfs/dbraw/zinc/66/32/59/860663259.db2.gz 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COc1cc(Br)cc(C[NH+]2CC(C(N)=O)C2)c1O ZINC001204339758 871061370 /nfs/dbraw/zinc/06/13/70/871061370.db2.gz RXIABSPQKRKRND-UHFFFAOYSA-N 1 1 315.167 1.080 20 10 DDCDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Br)cc1O ZINC001350626867 875791690 /nfs/dbraw/zinc/79/16/90/875791690.db2.gz PRUMXQPSKODOLI-NWDGAFQWSA-N 1 1 316.195 1.736 20 10 DDCDMO COCCN(C)C(=O)[C@H]1CC12C[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001276915064 881078551 /nfs/dbraw/zinc/07/85/51/881078551.db2.gz YHFQGOUTTDHJKM-CYBMUJFWSA-N 1 1 320.389 1.025 20 10 DDCDMO Cc1cc(C)c(C[N@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c(O)c1 ZINC001231847053 885902232 /nfs/dbraw/zinc/90/22/32/885902232.db2.gz UUMJCYWKVGEQNX-UHFFFAOYSA-N 1 1 301.346 1.769 20 10 DDCDMO CC[N@@H+](CCC(N)=O)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232405191 886337891 /nfs/dbraw/zinc/33/78/91/886337891.db2.gz GXXQEDJBMPZYJU-UHFFFAOYSA-N 1 1 317.389 1.662 20 10 DDCDMO O=C(NC1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1)C1CC1 ZINC001233014092 886727048 /nfs/dbraw/zinc/72/70/48/886727048.db2.gz YOKORGHIKDBYGG-UHFFFAOYSA-N 1 1 306.362 1.294 20 10 DDCDMO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487756 887022489 /nfs/dbraw/zinc/02/24/89/887022489.db2.gz RCYSPPCDURQVLR-LLVKDONJSA-N 1 1 309.362 1.969 20 10 DDCDMO Oc1c(C[N@@H+]2CCOC[C@@H](O)C2)cccc1OC(F)(F)F ZINC001233727869 887252670 /nfs/dbraw/zinc/25/26/70/887252670.db2.gz QIZKPYVBQAORPN-JTQLQIEISA-N 1 1 307.268 1.484 20 10 DDCDMO C[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2F)C[C@@H]1O ZINC001236935229 889429488 /nfs/dbraw/zinc/42/94/88/889429488.db2.gz GRGZSSIMHBEFEB-GUYCJALGSA-N 1 1 307.413 1.390 20 10 DDCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2F)C[C@@H]1O ZINC001236935229 889429496 /nfs/dbraw/zinc/42/94/96/889429496.db2.gz GRGZSSIMHBEFEB-GUYCJALGSA-N 1 1 307.413 1.390 20 10 DDCDMO CCN(CC[NH+](C)C)Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236932594 889430866 /nfs/dbraw/zinc/43/08/66/889430866.db2.gz SJNDVFXIMOICOG-UHFFFAOYSA-N 1 1 322.472 1.961 20 10 DDCDMO C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCO[C@@H]4C3)c(F)c2)CC1 ZINC001236941572 889435449 /nfs/dbraw/zinc/43/54/49/889435449.db2.gz CTCKLKNISDYZSU-MAUKXSAKSA-N 1 1 319.424 1.798 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3C[C@@H]4CCO[C@@H]4C3)c(F)c2)CC1 ZINC001236941572 889435461 /nfs/dbraw/zinc/43/54/61/889435461.db2.gz CTCKLKNISDYZSU-MAUKXSAKSA-N 1 1 319.424 1.798 20 10 DDCDMO [NH3+]CCS(=O)(=O)Nc1ccccc1C(=O)c1ccncc1 ZINC001237945170 889949021 /nfs/dbraw/zinc/94/90/21/889949021.db2.gz SGGMRYORDUCFGN-UHFFFAOYSA-N 1 1 305.359 1.013 20 10 DDCDMO CC[NH+]1C[C@@H]2CN(Cc3ccc(CC(=O)OC)cc3O)C[C@H]2C1 ZINC001249216531 893872140 /nfs/dbraw/zinc/87/21/40/893872140.db2.gz CPGCOJOKLOQOTK-HZPDHXFCSA-N 1 1 318.417 1.491 20 10 DDCDMO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c(O)c1 ZINC001249224059 893879378 /nfs/dbraw/zinc/87/93/78/893879378.db2.gz RZYPPLMITXCKDQ-HIFRSBDPSA-N 1 1 317.385 1.909 20 10 DDCDMO COC(=O)[C@H](Cc1ccc(O)c(O)c1)N[C@@H]1CCC[N@@H+](C)CC1 ZINC001254498138 896462815 /nfs/dbraw/zinc/46/28/15/896462815.db2.gz STUQALXEVQWTSL-KGLIPLIRSA-N 1 1 322.405 1.256 20 10 DDCDMO COc1cccc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1O ZINC000092070558 193152382 /nfs/dbraw/zinc/15/23/82/193152382.db2.gz AHJVFCCWVBNLEZ-CYBMUJFWSA-N 1 1 302.378 1.905 20 10 DDCDMO COc1ccc(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000375675855 533627651 /nfs/dbraw/zinc/62/76/51/533627651.db2.gz VCVCHLBBEUAYNU-ZIAGYGMSSA-N 1 1 319.405 1.827 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000278562819 130702589 /nfs/dbraw/zinc/70/25/89/130702589.db2.gz BCAHLAHEBXBKDI-CQSZACIVSA-N 1 1 313.419 1.800 20 10 DDCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1C ZINC000271190323 407567948 /nfs/dbraw/zinc/56/79/48/407567948.db2.gz PFMITKKLKRTKDO-CYBMUJFWSA-N 1 1 312.435 1.510 20 10 DDCDMO CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1O ZINC000270975840 407445123 /nfs/dbraw/zinc/44/51/23/407445123.db2.gz WSYXPMPIEHVEAW-GDBMZVCRSA-N 1 1 305.422 1.072 20 10 DDCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000187547354 407867535 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CO[C@]1(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCOC1 ZINC000763480997 700939117 /nfs/dbraw/zinc/93/91/17/700939117.db2.gz RJEYGSDTIUJJMG-SFHVURJKSA-N 1 1 319.449 1.334 20 10 DDCDMO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H](O)C1CC1 ZINC000809750906 701685917 /nfs/dbraw/zinc/68/59/17/701685917.db2.gz BDVFOCZGMXXZTO-QGZVFWFLSA-N 1 1 308.397 1.865 20 10 DDCDMO CCC[N@H+](Cc1c(O)cccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000768182280 701162540 /nfs/dbraw/zinc/16/25/40/701162540.db2.gz YEFKSXKRBKLBLD-LBPRGKRZSA-N 1 1 313.419 1.800 20 10 DDCDMO CCC[N@@H+](Cc1c(O)cccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000768182280 701162543 /nfs/dbraw/zinc/16/25/43/701162543.db2.gz YEFKSXKRBKLBLD-LBPRGKRZSA-N 1 1 313.419 1.800 20 10 DDCDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)ccc1N1CCCCC1 ZINC000769452726 701245370 /nfs/dbraw/zinc/24/53/70/701245370.db2.gz ZMQKFBRKFZJRLF-IYBDPMFKSA-N 1 1 321.377 1.123 20 10 DDCDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)ccc1N1CCCCC1 ZINC000769452726 701245371 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C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(F)cc(F)c1O ZINC000850506056 703734331 /nfs/dbraw/zinc/73/43/31/703734331.db2.gz BRDHSGCYOPUQFB-ZUZCIYMTSA-N 1 1 317.332 1.489 20 10 DDCDMO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000819582989 704145038 /nfs/dbraw/zinc/14/50/38/704145038.db2.gz RVKHURKGLAERHF-LSDHHAIUSA-N 1 1 317.433 1.589 20 10 DDCDMO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000821061428 704366059 /nfs/dbraw/zinc/36/60/59/704366059.db2.gz XEYULADBYAZXDN-AWEZNQCLSA-N 1 1 304.390 1.773 20 10 DDCDMO Cc1ccc(O)c(CNC(=O)NCC[NH+]2CCSCC2)c1 ZINC000858275633 704688076 /nfs/dbraw/zinc/68/80/76/704688076.db2.gz IUHKLWOGSBAVHI-UHFFFAOYSA-N 1 1 309.435 1.549 20 10 DDCDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000823101992 705140191 /nfs/dbraw/zinc/14/01/91/705140191.db2.gz XYGJWUTUMMXMLC-AAEUAGOBSA-N 1 1 301.350 1.625 20 10 DDCDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1Cc2cccc(O)c2C1 ZINC000875096682 705280812 /nfs/dbraw/zinc/28/08/12/705280812.db2.gz 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/nfs/dbraw/zinc/12/45/77/706124577.db2.gz GLGIZLQOTUEMEX-UHFFFAOYSA-N 1 1 317.433 1.358 20 10 DDCDMO CN(C)c1ccc(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)cc1 ZINC000865404837 706422858 /nfs/dbraw/zinc/42/28/58/706422858.db2.gz UCOFXGMAKLVDRH-HNNXBMFYSA-N 1 1 315.421 1.670 20 10 DDCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2COCC[C@H]2O)c1 ZINC000865749614 706515627 /nfs/dbraw/zinc/51/56/27/706515627.db2.gz HEHKDIJYASBIQD-VXGBXAGGSA-N 1 1 316.195 1.703 20 10 DDCDMO COc1ccc(C[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)cc1C ZINC000865867522 706547445 /nfs/dbraw/zinc/54/74/45/706547445.db2.gz NVNIIDZOICXDJL-UHFFFAOYSA-N 1 1 315.373 1.862 20 10 DDCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000835025176 707157773 /nfs/dbraw/zinc/15/77/73/707157773.db2.gz GLSHKKNZMRMHNV-QGZUEGPWSA-N 1 1 301.390 1.902 20 10 DDCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000835025176 707157774 /nfs/dbraw/zinc/15/77/74/707157774.db2.gz GLSHKKNZMRMHNV-QGZUEGPWSA-N 1 1 301.390 1.902 20 10 DDCDMO C[C@@H]1C[N@@H+](CCO)CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835053029 707162962 /nfs/dbraw/zinc/16/29/62/707162962.db2.gz AEOFAVLCLIHNKP-DWTRPJMMSA-N 1 1 303.450 1.764 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 ZINC000835057730 707164008 /nfs/dbraw/zinc/16/40/08/707164008.db2.gz YJOHVQIXXNDCLF-RYTMFUSVSA-N 1 1 315.417 1.355 20 10 DDCDMO OCC[NH2+]C1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000873217936 707773414 /nfs/dbraw/zinc/77/34/14/707773414.db2.gz VEMCOVLZGRUEON-UHFFFAOYSA-N 1 1 302.777 1.731 20 10 DDCDMO OCC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C1CCOCC1 ZINC000883089037 707922431 /nfs/dbraw/zinc/92/24/31/707922431.db2.gz YSFAZVYFQOEPBD-CQSZACIVSA-N 1 1 301.333 1.938 20 10 DDCDMO OC[C@]1(O)CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000839156143 708031472 /nfs/dbraw/zinc/03/14/72/708031472.db2.gz YHVYMXJFHHWFTQ-SFHVURJKSA-N 1 1 304.434 1.996 20 10 DDCDMO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000897061614 708220205 /nfs/dbraw/zinc/22/02/05/708220205.db2.gz 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COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)c1 ZINC000282260336 409021167 /nfs/dbraw/zinc/02/11/67/409021167.db2.gz JWZCFOCCVAVTEA-CHNSCGDPSA-N 1 1 311.403 1.741 20 10 DDCDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000278721219 409086690 /nfs/dbraw/zinc/08/66/90/409086690.db2.gz POGMQQNHOOWFIE-GOEBONIOSA-N 1 1 309.406 1.546 20 10 DDCDMO CCC[N@@H+](Cc1cccc(OCC)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000283097269 409087849 /nfs/dbraw/zinc/08/78/49/409087849.db2.gz SOESWKIZNCABFG-ZDUSSCGKSA-N 1 1 320.389 1.760 20 10 DDCDMO Cc1cccc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1O ZINC000293635272 409151577 /nfs/dbraw/zinc/15/15/77/409151577.db2.gz LSAABWMUKSCCLT-HNNXBMFYSA-N 1 1 302.378 1.622 20 10 DDCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@]2(CCCOC2)O1 ZINC000369092696 418729045 /nfs/dbraw/zinc/72/90/45/418729045.db2.gz CFAFZQFGNWTKIE-YVEFUNNKSA-N 1 1 321.373 1.891 20 10 DDCDMO CCCOc1ccc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c(O)c1 ZINC000370717258 418747368 /nfs/dbraw/zinc/74/73/68/418747368.db2.gz SHIJSQXMOVKBGM-HOCLYGCPSA-N 1 1 320.389 1.270 20 10 DDCDMO C[N@@H+](CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccccc1O ZINC000372319446 418854964 /nfs/dbraw/zinc/85/49/64/418854964.db2.gz TXBHJGKJAXEPOP-OAHLLOKOSA-N 1 1 304.390 1.461 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H]2CCc3n[nH]cc3C2)ccc1[N+](=O)[O-] ZINC000373201782 418932059 /nfs/dbraw/zinc/93/20/59/418932059.db2.gz FUJSFANFBCSWTQ-LLVKDONJSA-N 1 1 318.333 1.679 20 10 DDCDMO O=C1C[C@]2(CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)CN1 ZINC000366020882 527035446 /nfs/dbraw/zinc/03/54/46/527035446.db2.gz FPVUEPPKWQGTAR-GOSISDBHSA-N 1 1 315.417 1.235 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2nc(C)no2)c1 ZINC000273548879 536792348 /nfs/dbraw/zinc/79/23/48/536792348.db2.gz ZZXGUJLOMIECGO-VIFPVBQESA-N 1 1 305.334 1.764 20 10 DDCDMO CC(=O)c1cc(F)cc(C[N@H+](CC(N)=O)C2CCCC2)c1O ZINC000122708763 696724389 /nfs/dbraw/zinc/72/43/89/696724389.db2.gz ZTGCFFIPPDCDGY-UHFFFAOYSA-N 1 1 308.353 1.964 20 10 DDCDMO CC(=O)c1cc(F)cc(C[N@@H+](CC(N)=O)C2CCCC2)c1O ZINC000122708763 696724392 /nfs/dbraw/zinc/72/43/92/696724392.db2.gz ZTGCFFIPPDCDGY-UHFFFAOYSA-N 1 1 308.353 1.964 20 10 DDCDMO COc1ccc(O)c(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000745820165 699995881 /nfs/dbraw/zinc/99/58/81/699995881.db2.gz MIYTVPHXZPVRBB-AAEUAGOBSA-N 1 1 307.394 1.683 20 10 DDCDMO COc1ccc(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000082320337 696549150 /nfs/dbraw/zinc/54/91/50/696549150.db2.gz OGGFKNZEHAQTNF-HNNXBMFYSA-N 1 1 317.433 1.686 20 10 DDCDMO COc1ccc(O)c(CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000114587401 696661850 /nfs/dbraw/zinc/66/18/50/696661850.db2.gz UVROQVRWSUEREG-CYBMUJFWSA-N 1 1 321.421 1.932 20 10 DDCDMO CCC[N@H+](CC(=O)OC)Cc1ccc(N2CCOCC2)cc1 ZINC000178871825 697429785 /nfs/dbraw/zinc/42/97/85/697429785.db2.gz COFZAOWLUFGOFX-UHFFFAOYSA-N 1 1 306.406 1.908 20 10 DDCDMO CCC[N@@H+](CC(=O)OC)Cc1ccc(N2CCOCC2)cc1 ZINC000178871825 697429787 /nfs/dbraw/zinc/42/97/87/697429787.db2.gz COFZAOWLUFGOFX-UHFFFAOYSA-N 1 1 306.406 1.908 20 10 DDCDMO COc1cc(O)c(C[NH2+][C@H](C)c2nnnn2C2CC2)cc1OC ZINC000191834706 697615073 /nfs/dbraw/zinc/61/50/73/697615073.db2.gz KXUQSXSLTULVNN-SECBINFHSA-N 1 1 319.365 1.582 20 10 DDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)C1CCCC1)cc2=O ZINC000194005125 697687439 /nfs/dbraw/zinc/68/74/39/697687439.db2.gz VNOXHFBKCPJFIR-UHFFFAOYSA-N 1 1 318.377 1.986 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H](C)Cc2cnccn2)ccc1[N+](=O)[O-] ZINC000774984596 697950317 /nfs/dbraw/zinc/95/03/17/697950317.db2.gz LNDIZMANHKVKDW-JTQLQIEISA-N 1 1 318.333 1.820 20 10 DDCDMO COc1c(O)c(C[NH2+][C@H]2CC(=O)N(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000775027409 697955641 /nfs/dbraw/zinc/95/56/41/697955641.db2.gz DRFUGTFFKKRGQS-NSHDSACASA-N 1 1 323.349 1.408 20 10 DDCDMO CN1CCC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000778932928 698383271 /nfs/dbraw/zinc/38/32/71/698383271.db2.gz FAWGIOSIFRAHOP-KRWDZBQOSA-N 1 1 317.433 1.576 20 10 DDCDMO CN(C)c1ccc(CNc2cc[nH+]c(N3CCOCC3)n2)cc1 ZINC000779427988 698422269 /nfs/dbraw/zinc/42/22/69/698422269.db2.gz JTIQPVNWIRHDMF-UHFFFAOYSA-N 1 1 313.405 1.991 20 10 DDCDMO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000780784049 698559256 /nfs/dbraw/zinc/55/92/56/698559256.db2.gz DZPYGPNFJBETFZ-RDJZCZTQSA-N 1 1 303.450 1.641 20 10 DDCDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000780784049 698559259 /nfs/dbraw/zinc/55/92/59/698559259.db2.gz DZPYGPNFJBETFZ-RDJZCZTQSA-N 1 1 303.450 1.641 20 10 DDCDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000305207194 698641193 /nfs/dbraw/zinc/64/11/93/698641193.db2.gz DASGRZMGTFMCPW-YOEHRIQHSA-N 1 1 319.449 1.604 20 10 DDCDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)CC1 ZINC000783609371 698857953 /nfs/dbraw/zinc/85/79/53/698857953.db2.gz YKNZRKMACSWZKR-SNVBAGLBSA-N 1 1 312.391 1.163 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@]3(C)CO)cc2)CC1 ZINC000789557598 699395600 /nfs/dbraw/zinc/39/56/00/699395600.db2.gz LCVBAAHWFDWSTN-GOSISDBHSA-N 1 1 303.450 1.785 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@]3(C)CO)cc2)CC1 ZINC000789557598 699395603 /nfs/dbraw/zinc/39/56/03/699395603.db2.gz LCVBAAHWFDWSTN-GOSISDBHSA-N 1 1 303.450 1.785 20 10 DDCDMO COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000729535075 699482046 /nfs/dbraw/zinc/48/20/46/699482046.db2.gz JGJHYHSWDXZZSP-OLZOCXBDSA-N 1 1 321.421 1.214 20 10 DDCDMO NC(=O)NC(=O)CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731846457 699537620 /nfs/dbraw/zinc/53/76/20/699537620.db2.gz ZTCAULKQKMPNTG-UHFFFAOYSA-N 1 1 305.378 1.722 20 10 DDCDMO Cc1cc(Cl)cc(C[NH2+]Cc2nnc3n2CCOC3)c1O ZINC000792193737 699682002 /nfs/dbraw/zinc/68/20/02/699682002.db2.gz ZEJLCWRWFLUZJY-UHFFFAOYSA-N 1 1 308.769 1.766 20 10 DDCDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(OC)cc1O ZINC000792913915 699721716 /nfs/dbraw/zinc/72/17/16/699721716.db2.gz ZVMITBZYPQVUDT-GFCCVEGCSA-N 1 1 309.410 1.930 20 10 DDCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@]2(CCOC2)O1 ZINC000794696966 699825179 /nfs/dbraw/zinc/82/51/79/699825179.db2.gz BAQSDXCMZCDTCN-JGFGOQIWSA-N 1 1 321.373 1.198 20 10 DDCDMO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756454800 700622678 /nfs/dbraw/zinc/62/26/78/700622678.db2.gz GGYCJWPQMABIDT-NSHDSACASA-N 1 1 308.378 1.698 20 10 DDCDMO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000756549481 700627068 /nfs/dbraw/zinc/62/70/68/700627068.db2.gz NRPIENMNNWFPPB-LSDHHAIUSA-N 1 1 319.449 1.939 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)c1 ZINC000756655494 700633928 /nfs/dbraw/zinc/63/39/28/700633928.db2.gz PVIKNQUAYXNIQH-PXAZEXFGSA-N 1 1 323.389 1.619 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000809700716 701681353 /nfs/dbraw/zinc/68/13/53/701681353.db2.gz NAGIGGLWBWDMQR-KBPBESRZSA-N 1 1 306.406 1.696 20 10 DDCDMO Cc1cc(Br)c(O)c(C[N@H+](C)CCC(N)=O)c1 ZINC000809713875 701682528 /nfs/dbraw/zinc/68/25/28/701682528.db2.gz OHBNFYDVGGFAOD-UHFFFAOYSA-N 1 1 301.184 1.770 20 10 DDCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)CCC(N)=O)c1 ZINC000809713875 701682529 /nfs/dbraw/zinc/68/25/29/701682529.db2.gz OHBNFYDVGGFAOD-UHFFFAOYSA-N 1 1 301.184 1.770 20 10 DDCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768448755 701178008 /nfs/dbraw/zinc/17/80/08/701178008.db2.gz WJBJHWYLELSTTI-IINYFYTJSA-N 1 1 307.346 1.203 20 10 DDCDMO COCCOC[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768464944 701180426 /nfs/dbraw/zinc/18/04/26/701180426.db2.gz CPOVXUYQBGWXND-LRDDRELGSA-N 1 1 323.389 1.303 20 10 DDCDMO C[N@H+]1CC[C@@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000804737076 701210778 /nfs/dbraw/zinc/21/07/78/701210778.db2.gz DCDGFZJMZCBOFB-SECBINFHSA-N 1 1 313.195 1.723 20 10 DDCDMO Cn1cnc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000808383186 701516193 /nfs/dbraw/zinc/51/61/93/701516193.db2.gz XJCHUSPHLJKHAW-UHFFFAOYSA-N 1 1 314.433 1.919 20 10 DDCDMO CN(C)c1ccc(CNC(=O)CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000839605540 701752116 /nfs/dbraw/zinc/75/21/16/701752116.db2.gz LSSXOBREDVFATD-RDJZCZTQSA-N 1 1 316.449 1.005 20 10 DDCDMO CC(=O)NC[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816513278 702102972 /nfs/dbraw/zinc/10/29/72/702102972.db2.gz LQGIGHVZMROFGC-INIZCTEOSA-N 1 1 314.385 1.882 20 10 DDCDMO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816513278 702102975 /nfs/dbraw/zinc/10/29/75/702102975.db2.gz LQGIGHVZMROFGC-INIZCTEOSA-N 1 1 314.385 1.882 20 10 DDCDMO OC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCC1(F)F ZINC000812775073 702234704 /nfs/dbraw/zinc/23/47/04/702234704.db2.gz FDHRNHONIJEULY-JTQLQIEISA-N 1 1 301.289 1.570 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)c1 ZINC000840825507 702251423 /nfs/dbraw/zinc/25/14/23/702251423.db2.gz GKGFKONKSJOZLH-PWSUYJOCSA-N 1 1 306.362 1.356 20 10 DDCDMO CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840914809 702277808 /nfs/dbraw/zinc/27/78/08/702277808.db2.gz GISUTNJKVPKXLS-QGZVFWFLSA-N 1 1 305.422 1.398 20 10 DDCDMO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840914809 702277812 /nfs/dbraw/zinc/27/78/12/702277812.db2.gz GISUTNJKVPKXLS-QGZVFWFLSA-N 1 1 305.422 1.398 20 10 DDCDMO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000840945442 702289638 /nfs/dbraw/zinc/28/96/38/702289638.db2.gz OANRNNPOXUXGJY-INIZCTEOSA-N 1 1 306.406 1.825 20 10 DDCDMO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000840945442 702289641 /nfs/dbraw/zinc/28/96/41/702289641.db2.gz OANRNNPOXUXGJY-INIZCTEOSA-N 1 1 306.406 1.825 20 10 DDCDMO COc1cc(Br)cc(CNCC(C)(C)[NH3+])c1O ZINC000841031547 702316782 /nfs/dbraw/zinc/31/67/82/702316782.db2.gz VUIWAFLGTLZFBU-UHFFFAOYSA-N 1 1 303.200 1.990 20 10 DDCDMO CN1CCN(c2ccc(CN3CC[C@@]4(CCC[NH2+]4)C3)cc2)CC1 ZINC000841105242 702349259 /nfs/dbraw/zinc/34/92/59/702349259.db2.gz CDJHNFFJCHKETN-IBGZPJMESA-N 1 1 314.477 1.766 20 10 DDCDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(N)cc2)C[C@@H]1C ZINC000841108086 702350205 /nfs/dbraw/zinc/35/02/05/702350205.db2.gz ZMFVSERQBQUYFF-NWDGAFQWSA-N 1 1 304.394 1.148 20 10 DDCDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(N)cc2)C[C@@H]1C ZINC000841108086 702350212 /nfs/dbraw/zinc/35/02/12/702350212.db2.gz ZMFVSERQBQUYFF-NWDGAFQWSA-N 1 1 304.394 1.148 20 10 DDCDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000817414491 702373917 /nfs/dbraw/zinc/37/39/17/702373917.db2.gz GJNKFYDZHZKXFC-CQSZACIVSA-N 1 1 321.396 1.230 20 10 DDCDMO CON1CCC([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000817419594 702377277 /nfs/dbraw/zinc/37/72/77/702377277.db2.gz VHABRHRBQDNZLE-UHFFFAOYSA-N 1 1 318.465 1.554 20 10 DDCDMO Cn1cc([C@@H]2CN(Cc3cccc(Cl)c3O)C[C@H]2[NH3+])cn1 ZINC000818431853 702647703 /nfs/dbraw/zinc/64/77/03/702647703.db2.gz VKQQBBYBUOSODB-GXTWGEPZSA-N 1 1 306.797 1.706 20 10 DDCDMO CN1CCN(Cc2cccc(Br)c2O)[C@@H](C[NH3+])C1 ZINC000843120507 702823393 /nfs/dbraw/zinc/82/33/93/702823393.db2.gz NVVIALVYXODGIE-NSHDSACASA-N 1 1 314.227 1.229 20 10 DDCDMO CN(C)c1ccc(/C=C/CN2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000843423640 702878307 /nfs/dbraw/zinc/87/83/07/702878307.db2.gz HLZBOAFDFQLREG-OAJJDEHYSA-N 1 1 301.434 1.517 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)c1 ZINC000843433772 702881137 /nfs/dbraw/zinc/88/11/37/702881137.db2.gz COKIDVYKNNDNNI-QWHCGFSZSA-N 1 1 309.362 1.147 20 10 DDCDMO CCC[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[N@H+]1CCOC ZINC000844205503 702991527 /nfs/dbraw/zinc/99/15/27/702991527.db2.gz YZXVTZYOMUZGSB-KRWDZBQOSA-N 1 1 319.449 1.771 20 10 DDCDMO CC[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(F)cc1O ZINC000866520294 706719806 /nfs/dbraw/zinc/71/98/06/706719806.db2.gz FOANGZNAVVMAIU-BBRMVZONSA-N 1 1 324.352 1.793 20 10 DDCDMO COc1c(O)c(C[NH2+]CCC2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000846105806 703238202 /nfs/dbraw/zinc/23/82/02/703238202.db2.gz YNEOSZDMHLXJHO-UHFFFAOYSA-N 1 1 310.350 1.951 20 10 DDCDMO COc1cccc([C@@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c1O ZINC000846142703 703241989 /nfs/dbraw/zinc/24/19/89/703241989.db2.gz AHUXEAJFFUGMMD-LSDHHAIUSA-N 1 1 321.465 1.935 20 10 DDCDMO CCc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1O ZINC000848880559 703597406 /nfs/dbraw/zinc/59/74/06/703597406.db2.gz 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CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000825068517 705593072 /nfs/dbraw/zinc/59/30/72/705593072.db2.gz RMXBUOCSBDEQKB-CQSZACIVSA-N 1 1 304.438 1.053 20 10 DDCDMO CC[N@@H+](CCOCCO)Cc1c(O)cccc1Br ZINC000862356692 705700078 /nfs/dbraw/zinc/70/00/78/705700078.db2.gz NIQBNRUNCZDTSN-UHFFFAOYSA-N 1 1 318.211 1.986 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+](C)[C@]3(CO)CCOC3)cc2)CC1 ZINC000862426783 705716193 /nfs/dbraw/zinc/71/61/93/705716193.db2.gz OHOCKBKJHCLKQY-SFHVURJKSA-N 1 1 319.449 1.022 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+](C)[C@]3(CO)CCOC3)cc2)CC1 ZINC000862426783 705716197 /nfs/dbraw/zinc/71/61/97/705716197.db2.gz OHOCKBKJHCLKQY-SFHVURJKSA-N 1 1 319.449 1.022 20 10 DDCDMO OC1CCN(c2ccc(C[NH+]3CCN(C4CC4)CC3)cc2)CC1 ZINC000876566321 705760854 /nfs/dbraw/zinc/76/08/54/705760854.db2.gz GJWNLYVQEPDJAN-UHFFFAOYSA-N 1 1 315.461 1.928 20 10 DDCDMO CC1([NH+]2CCOCC2)CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000862958417 705836542 /nfs/dbraw/zinc/83/65/42/705836542.db2.gz FWEZXPOLOZXEJB-UHFFFAOYSA-N 1 1 310.419 1.781 20 10 DDCDMO CCOc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c(O)c1 ZINC000827544899 706023637 /nfs/dbraw/zinc/02/36/37/706023637.db2.gz NHTQQKRJBMPFBD-AWEZNQCLSA-N 1 1 321.421 1.979 20 10 DDCDMO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)o1)c1ccc(N(C)C)cc1 ZINC000877417928 706100572 /nfs/dbraw/zinc/10/05/72/706100572.db2.gz ZILFISAUZWUYDF-LLVKDONJSA-N 1 1 323.418 1.844 20 10 DDCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000877485540 706120412 /nfs/dbraw/zinc/12/04/12/706120412.db2.gz YHVWIPPTSNQQNV-CQSZACIVSA-N 1 1 324.446 1.701 20 10 DDCDMO Cc1cc(O)c(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1C ZINC000877668011 706174960 /nfs/dbraw/zinc/17/49/60/706174960.db2.gz LWELLIOKZQINAM-CALCHBBNSA-N 1 1 302.374 1.494 20 10 DDCDMO COc1cccc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000877789928 706215042 /nfs/dbraw/zinc/21/50/42/706215042.db2.gz DCEGLPQNMKMXNW-STQMWFEESA-N 1 1 311.403 1.267 20 10 DDCDMO CN(C)c1ccc(C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)cc1 ZINC000865404265 706422423 /nfs/dbraw/zinc/42/24/23/706422423.db2.gz HGKPOMGZCXYIST-KRWDZBQOSA-N 1 1 315.421 1.813 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](C(C)(C)O)C2)cc1 ZINC000880146988 706892319 /nfs/dbraw/zinc/89/23/19/706892319.db2.gz YXIXTNBTEJKBJS-OAHLLOKOSA-N 1 1 319.449 1.462 20 10 DDCDMO CN(C)c1cc(NC(=O)NCCc2ccc(O)c(O)c2)cc[nH+]1 ZINC000880609207 707039438 /nfs/dbraw/zinc/03/94/38/707039438.db2.gz LBLARKJAGGEOHM-UHFFFAOYSA-N 1 1 316.361 1.923 20 10 DDCDMO CC(=O)N1CCN(CC[NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886502887 708769021 /nfs/dbraw/zinc/76/90/21/708769021.db2.gz SAAIRGWDMGAVNV-GFCCVEGCSA-N 1 1 309.385 1.346 20 10 DDCDMO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1c(O)cccc1F ZINC000886516822 708771692 /nfs/dbraw/zinc/77/16/92/708771692.db2.gz ZRWYXZPBPVMIME-GHMZBOCLSA-N 1 1 316.398 1.606 20 10 DDCDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000900188484 709321016 /nfs/dbraw/zinc/32/10/16/709321016.db2.gz WXCXAVFIBDAQGR-AEFFLSMTSA-N 1 1 317.433 1.358 20 10 DDCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c1O ZINC000893966748 710903628 /nfs/dbraw/zinc/90/36/28/710903628.db2.gz DLLDJSPIMZXUTL-CQSZACIVSA-N 1 1 319.405 1.699 20 10 DDCDMO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911667251 710916860 /nfs/dbraw/zinc/91/68/60/710916860.db2.gz PARXFBNWGNJZCJ-WBMJQRKESA-N 1 1 315.421 1.471 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000895008307 711365101 /nfs/dbraw/zinc/36/51/01/711365101.db2.gz VLWPDCDUJATKRU-NSHDSACASA-N 1 1 318.377 1.825 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CC[C@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000895008307 711365105 /nfs/dbraw/zinc/36/51/05/711365105.db2.gz VLWPDCDUJATKRU-NSHDSACASA-N 1 1 318.377 1.825 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000895008307 711365108 /nfs/dbraw/zinc/36/51/08/711365108.db2.gz VLWPDCDUJATKRU-NSHDSACASA-N 1 1 318.377 1.825 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CC[C@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000895008307 711365112 /nfs/dbraw/zinc/36/51/12/711365112.db2.gz VLWPDCDUJATKRU-NSHDSACASA-N 1 1 318.377 1.825 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000895008307 711365116 /nfs/dbraw/zinc/36/51/16/711365116.db2.gz VLWPDCDUJATKRU-NSHDSACASA-N 1 1 318.377 1.825 20 10 DDCDMO CN(C)c1ccc([C@@H](CNC[C@H](O)C(F)(F)F)[NH+](C)C)cc1 ZINC000905702224 712124710 /nfs/dbraw/zinc/12/47/10/712124710.db2.gz BWOQPWZBIKWUEH-KGLIPLIRSA-N 1 1 319.371 1.868 20 10 DDCDMO CC(=O)c1cc(Cl)cc(CN2CCN(C)[C@@H](CO)C2)c1[O-] ZINC000931408684 714087577 /nfs/dbraw/zinc/08/75/77/714087577.db2.gz VTKPFPGMCCLUHO-CYBMUJFWSA-N 1 1 312.797 1.357 20 10 DDCDMO C[N@H+]1CC[C@@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000925411926 714847450 /nfs/dbraw/zinc/84/74/50/714847450.db2.gz RKUXNYCAEASOPW-CYBMUJFWSA-N 1 1 303.406 1.774 20 10 DDCDMO COc1cc(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc(OC)n1 ZINC001007789894 737189090 /nfs/dbraw/zinc/18/90/90/737189090.db2.gz DNRSMUPWPIODCJ-CYBMUJFWSA-N 1 1 307.394 1.701 20 10 DDCDMO CN(C)c1ccc(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1F ZINC001200269512 748182852 /nfs/dbraw/zinc/18/28/52/748182852.db2.gz XHNVAXLKNOQTFN-CABCVRRESA-N 1 1 307.413 1.845 20 10 DDCDMO CN(C)c1ccc(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)cc1F ZINC001200269512 748182858 /nfs/dbraw/zinc/18/28/58/748182858.db2.gz XHNVAXLKNOQTFN-CABCVRRESA-N 1 1 307.413 1.845 20 10 DDCDMO CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001272639305 846444843 /nfs/dbraw/zinc/44/48/43/846444843.db2.gz YKAZHFWTULSDQB-MRXNPFEDSA-N 1 1 324.808 1.726 20 10 DDCDMO CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272903480 847615453 /nfs/dbraw/zinc/61/54/53/847615453.db2.gz VHGMEFFYWFVPSB-MRXNPFEDSA-N 1 1 304.346 1.069 20 10 DDCDMO CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(O)cc1O ZINC001275952575 854007314 /nfs/dbraw/zinc/00/73/14/854007314.db2.gz IAPXSVDKKNCCPM-GJZGRUSLSA-N 1 1 319.405 1.864 20 10 DDCDMO Cc1ccc(C[N@@H+]2CC[C@H]3CN(CC(=O)N(C)C)C[C@H]32)c(O)c1 ZINC001276169779 854873538 /nfs/dbraw/zinc/87/35/38/854873538.db2.gz WEJVKCJHDMYRAQ-GOEBONIOSA-N 1 1 317.433 1.295 20 10 DDCDMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1cccc(Cl)c1O ZINC001124069896 859560765 /nfs/dbraw/zinc/56/07/65/859560765.db2.gz FWALTKBEFLEJDK-ZWNOBZJWSA-N 1 1 309.797 1.050 20 10 DDCDMO CN1C[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1=O ZINC001138495338 860119327 /nfs/dbraw/zinc/11/93/27/860119327.db2.gz AVEUNKQHHLTSFT-WBVHZDCISA-N 1 1 315.417 1.043 20 10 DDCDMO CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CCOCC2)cc1 ZINC001138500935 860121278 /nfs/dbraw/zinc/12/12/78/860121278.db2.gz HRYZDFIKHHAGDC-ROUUACIJSA-N 1 1 301.434 1.802 20 10 DDCDMO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC001138500935 860121281 /nfs/dbraw/zinc/12/12/81/860121281.db2.gz HRYZDFIKHHAGDC-ROUUACIJSA-N 1 1 301.434 1.802 20 10 DDCDMO CCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC001138500935 860121284 /nfs/dbraw/zinc/12/12/84/860121284.db2.gz HRYZDFIKHHAGDC-ROUUACIJSA-N 1 1 301.434 1.802 20 10 DDCDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140285737 860612643 /nfs/dbraw/zinc/61/26/43/860612643.db2.gz PMOOOYXKLCFIOI-HDICACEKSA-N 1 1 315.461 1.926 20 10 DDCDMO CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140285737 860612647 /nfs/dbraw/zinc/61/26/47/860612647.db2.gz PMOOOYXKLCFIOI-HDICACEKSA-N 1 1 315.461 1.926 20 10 DDCDMO CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140285737 860612652 /nfs/dbraw/zinc/61/26/52/860612652.db2.gz PMOOOYXKLCFIOI-HDICACEKSA-N 1 1 315.461 1.926 20 10 DDCDMO CN1CC2(C1)CC[N@H+](Cc1ccc(N3CCOCC3)cc1F)C2 ZINC001140664691 860670374 /nfs/dbraw/zinc/67/03/74/860670374.db2.gz PHPLFVDUJHEUJJ-UHFFFAOYSA-N 1 1 319.424 1.800 20 10 DDCDMO CN1CC2(C1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1F)C2 ZINC001140664691 860670377 /nfs/dbraw/zinc/67/03/77/860670377.db2.gz PHPLFVDUJHEUJJ-UHFFFAOYSA-N 1 1 319.424 1.800 20 10 DDCDMO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N(C)C)C[C@H]32)c1O ZINC001140745034 860690104 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/nfs/dbraw/zinc/13/36/00/706133600.db2.gz LLUXUDOKPSEVSE-AWEZNQCLSA-N 1 1 313.419 1.336 20 10 DDCDMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877595283 706153403 /nfs/dbraw/zinc/15/34/03/706153403.db2.gz XFNAXILHHBXIJV-INIZCTEOSA-N 1 1 317.433 1.358 20 10 DDCDMO C[NH+]1CCN([C@H]2CC[C@@H](NC(=O)C3=CC(=O)CS3)CC2)CC1 ZINC000832190510 706866072 /nfs/dbraw/zinc/86/60/72/706866072.db2.gz NNSBFBIUKIELEK-BETUJISGSA-N 1 1 323.462 1.742 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1 ZINC000834906013 707146984 /nfs/dbraw/zinc/14/69/84/707146984.db2.gz BQGZDPGTZZSLDH-JBLDHEPKSA-N 1 1 306.362 1.483 20 10 DDCDMO CC(C)(C[NH2+]Cc1cc(F)cc(F)c1O)[C@]1(O)CCOC1 ZINC000883152758 707941811 /nfs/dbraw/zinc/94/18/11/707941811.db2.gz GQEIHODIFPIEQJ-HNNXBMFYSA-N 1 1 301.333 1.938 20 10 DDCDMO Cc1cc(C)c([C@H](C)[NH2+]Cc2nnc3n2CCNC3=O)c(O)c1 ZINC000883304465 707972867 /nfs/dbraw/zinc/97/28/67/707972867.db2.gz XVTWELCVCNPYKZ-NSHDSACASA-N 1 1 315.377 1.195 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@](O)(CO)C2)cc1F ZINC000839160133 708031396 /nfs/dbraw/zinc/03/13/96/708031396.db2.gz QRNWVIIUKVJOAQ-QGZVFWFLSA-N 1 1 310.413 1.991 20 10 DDCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900399317 709578027 /nfs/dbraw/zinc/57/80/27/709578027.db2.gz DEKADZQJWBIAQD-FUHWJXTLSA-N 1 1 319.449 1.556 20 10 DDCDMO CN(C)c1ccc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1F ZINC000892484946 710444960 /nfs/dbraw/zinc/44/49/60/710444960.db2.gz CILAKKYFAXWEFM-XJKSGUPXSA-N 1 1 320.412 1.737 20 10 DDCDMO COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c(O)c1OC ZINC000893715683 710793225 /nfs/dbraw/zinc/79/32/25/710793225.db2.gz CYAWWRBMTYXMLC-CMPLNLGQSA-N 1 1 308.378 1.495 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CC(=O)N(C)C2)c1 ZINC000903215989 711069013 /nfs/dbraw/zinc/06/90/13/711069013.db2.gz RZLAUURIWSSTPI-RYUDHWBXSA-N 1 1 320.389 1.698 20 10 DDCDMO Fc1cc(C[NH2+]Cc2cnc[nH]2)cc(F)c1N1CCOCC1 ZINC000894980697 711348570 /nfs/dbraw/zinc/34/85/70/711348570.db2.gz XBVQIKCLTYBCKV-UHFFFAOYSA-N 1 1 308.332 1.814 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)cc1F ZINC000895327157 711485384 /nfs/dbraw/zinc/48/53/84/711485384.db2.gz APONLRWMALHVFC-RHSMWYFYSA-N 1 1 310.413 1.990 20 10 DDCDMO COc1ccc(C[N@@H+](C)C2(CO)CCOCC2)c(O)c1OC ZINC000895476425 711521766 /nfs/dbraw/zinc/52/17/66/711521766.db2.gz ZKZRAGPHKKJSHF-UHFFFAOYSA-N 1 1 311.378 1.383 20 10 DDCDMO CCN(CC)c1ccc(CN2CCNCC[NH2+]CC2)cc1F ZINC000904398447 711852710 /nfs/dbraw/zinc/85/27/10/711852710.db2.gz PKWHYJJFJVMODM-UHFFFAOYSA-N 1 1 308.445 1.667 20 10 DDCDMO c1cc2c(cc1CNC[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCCO2 ZINC000921689484 713843816 /nfs/dbraw/zinc/84/38/16/713843816.db2.gz DUBJHUDOZMVYCG-DLBZAZTESA-N 1 1 302.418 1.964 20 10 DDCDMO c1cc2c(cc1C[NH2+]C[C@@H]1CN3CCC[C@H]3CO1)CCCO2 ZINC000921689484 713843817 /nfs/dbraw/zinc/84/38/17/713843817.db2.gz DUBJHUDOZMVYCG-DLBZAZTESA-N 1 1 302.418 1.964 20 10 DDCDMO c1cc2c(cc1CNC[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCCO2 ZINC000921689485 713843835 /nfs/dbraw/zinc/84/38/35/713843835.db2.gz DUBJHUDOZMVYCG-IAGOWNOFSA-N 1 1 302.418 1.964 20 10 DDCDMO c1cc2c(cc1C[NH2+]C[C@@H]1CN3CCC[C@@H]3CO1)CCCO2 ZINC000921689485 713843837 /nfs/dbraw/zinc/84/38/37/713843837.db2.gz DUBJHUDOZMVYCG-IAGOWNOFSA-N 1 1 302.418 1.964 20 10 DDCDMO COC1(OC)CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H]1O ZINC000931636393 714144961 /nfs/dbraw/zinc/14/49/61/714144961.db2.gz WDOAXMYPSCYPDV-MRXNPFEDSA-N 1 1 308.422 1.617 20 10 DDCDMO COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CC[N@H+]3C)C2)cc1 ZINC000923182872 714263699 /nfs/dbraw/zinc/26/36/99/714263699.db2.gz IKZJQSHNKBXNTK-HIFRSBDPSA-N 1 1 318.421 1.277 20 10 DDCDMO COc1ccc(N2CC[C@H](CN[C@@H]3C[NH2+]CCOC3)C2)cc1 ZINC000925706328 714918272 /nfs/dbraw/zinc/91/82/72/714918272.db2.gz NKHVHWZKABGIGE-HUUCEWRRSA-N 1 1 305.422 1.100 20 10 DDCDMO CC(=O)NCC[N@H+](C)Cc1cc(Br)ccc1O ZINC000308289768 734346870 /nfs/dbraw/zinc/34/68/70/734346870.db2.gz GKVVXMOTSHFFTQ-UHFFFAOYSA-N 1 1 301.184 1.723 20 10 DDCDMO CCN(C)C(=O)CO[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC001203561962 743805082 /nfs/dbraw/zinc/80/50/82/743805082.db2.gz ACQSQGNEDVMQME-HNNXBMFYSA-N 1 1 306.406 1.852 20 10 DDCDMO CNC(=O)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001116742027 753706373 /nfs/dbraw/zinc/70/63/73/753706373.db2.gz BVNOQINVABLTGM-UHFFFAOYSA-N 1 1 302.422 1.744 20 10 DDCDMO CC[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](O)C1 ZINC001090839477 772254998 /nfs/dbraw/zinc/25/49/98/772254998.db2.gz MTZKABXFAHQRTH-QWHCGFSZSA-N 1 1 319.365 1.034 20 10 DDCDMO Oc1cc(O)c(CN2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c(O)c1 ZINC001144508143 772555151 /nfs/dbraw/zinc/55/51/51/772555151.db2.gz JOWNUOIPSPNCCJ-OKILXGFUSA-N 1 1 320.389 1.098 20 10 DDCDMO Oc1cc(O)c(C[N@H+]2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c(O)c1 ZINC001144508143 772555153 /nfs/dbraw/zinc/55/51/53/772555153.db2.gz JOWNUOIPSPNCCJ-OKILXGFUSA-N 1 1 320.389 1.098 20 10 DDCDMO Oc1cc(O)c(C[N@@H+]2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c(O)c1 ZINC001144508143 772555155 /nfs/dbraw/zinc/55/51/55/772555155.db2.gz JOWNUOIPSPNCCJ-OKILXGFUSA-N 1 1 320.389 1.098 20 10 DDCDMO CC[C@H](C)N1C(=O)COCC12C[NH+](Cc1ccccc1O)C2 ZINC001272619188 846417245 /nfs/dbraw/zinc/41/72/45/846417245.db2.gz SDBHOQHHYKRSPL-ZDUSSCGKSA-N 1 1 304.390 1.604 20 10 DDCDMO C[N@H+]1CCC12CN(Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001275174102 852866817 /nfs/dbraw/zinc/86/68/17/852866817.db2.gz RHHOOXIYAMTCQO-UHFFFAOYSA-N 1 1 301.434 1.538 20 10 DDCDMO CN1CCC12C[NH+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001275174102 852866818 /nfs/dbraw/zinc/86/68/18/852866818.db2.gz RHHOOXIYAMTCQO-UHFFFAOYSA-N 1 1 301.434 1.538 20 10 DDCDMO Oc1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccc[nH]1 ZINC001275266978 852940635 /nfs/dbraw/zinc/94/06/35/852940635.db2.gz HPECWGKKRVKWJW-AEFFLSMTSA-N 1 1 313.401 1.806 20 10 DDCDMO C[N@H+]1C[C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3F)[C@@H]2C1 ZINC001275320266 852978595 /nfs/dbraw/zinc/97/85/95/852978595.db2.gz UWECRUORLXMBEE-MAUKXSAKSA-N 1 1 319.424 1.798 20 10 DDCDMO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3ccc(O)c(O)c3)[C@@H]2C1 ZINC001275821569 853818207 /nfs/dbraw/zinc/81/82/07/853818207.db2.gz UOXWMOHNPCVANI-LSDHHAIUSA-N 1 1 305.422 1.166 20 10 DDCDMO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccc(O)c(O)c3)[C@@H]2C1 ZINC001275821569 853818201 /nfs/dbraw/zinc/81/82/01/853818201.db2.gz UOXWMOHNPCVANI-LSDHHAIUSA-N 1 1 305.422 1.166 20 10 DDCDMO Oc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c(O)c1 ZINC001275953285 854012383 /nfs/dbraw/zinc/01/23/83/854012383.db2.gz VUYXKRNQUGRJLM-AEFFLSMTSA-N 1 1 318.417 1.925 20 10 DDCDMO Oc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C2CCCC2)c(O)c1 ZINC001275953285 854012386 /nfs/dbraw/zinc/01/23/86/854012386.db2.gz VUYXKRNQUGRJLM-AEFFLSMTSA-N 1 1 318.417 1.925 20 10 DDCDMO Oc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C2CCCC2)c(O)c1 ZINC001275953285 854012392 /nfs/dbraw/zinc/01/23/92/854012392.db2.gz VUYXKRNQUGRJLM-AEFFLSMTSA-N 1 1 318.417 1.925 20 10 DDCDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c([O-])cccc1F ZINC001276358868 855714638 /nfs/dbraw/zinc/71/46/38/855714638.db2.gz CQMGJDVYLSLXLK-HOTGVXAUSA-N 1 1 307.413 1.742 20 10 DDCDMO COc1cc(N(C)C)ccc1CN1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001276368343 856266490 /nfs/dbraw/zinc/26/64/90/856266490.db2.gz LADSKQPSPXLXQF-IYBDPMFKSA-N 1 1 305.422 1.276 20 10 DDCDMO COc1cc(N(C)C)ccc1CN1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001276368343 856266505 /nfs/dbraw/zinc/26/65/05/856266505.db2.gz LADSKQPSPXLXQF-IYBDPMFKSA-N 1 1 305.422 1.276 20 10 DDCDMO CN1CCCc2cc(C[N@@H+]3C[C@@H]4COC[C@H](C3)C4=O)ccc21 ZINC001138359373 860073013 /nfs/dbraw/zinc/07/30/13/860073013.db2.gz SNBDGOZHVFWJQS-IYBDPMFKSA-N 1 1 300.402 1.716 20 10 DDCDMO CN1CCCc2cc(C[N@H+]3C[C@@H]4COC[C@H](C3)C4=O)ccc21 ZINC001138359373 860073025 /nfs/dbraw/zinc/07/30/25/860073025.db2.gz SNBDGOZHVFWJQS-IYBDPMFKSA-N 1 1 300.402 1.716 20 10 DDCDMO c1cn2c(n1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138499553 860119681 /nfs/dbraw/zinc/11/96/81/860119681.db2.gz QMZYWCOSVPBPJI-UHFFFAOYSA-N 1 1 312.417 1.778 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@@H](F)[C@@H](O)CC3)cc2)CC1 ZINC001139408335 860390964 /nfs/dbraw/zinc/39/09/64/860390964.db2.gz KHUGJIJXPHXWPY-MSOLQXFVSA-N 1 1 321.440 1.733 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](F)[C@@H](O)CC3)cc2)CC1 ZINC001139408335 860390969 /nfs/dbraw/zinc/39/09/69/860390969.db2.gz KHUGJIJXPHXWPY-MSOLQXFVSA-N 1 1 321.440 1.733 20 10 DDCDMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140285313 860612503 /nfs/dbraw/zinc/61/25/03/860612503.db2.gz INMVWBPKILXOKV-KBXCAEBGSA-N 1 1 304.434 1.993 20 10 DDCDMO COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140622985 860664174 /nfs/dbraw/zinc/66/41/74/860664174.db2.gz KFUUKVWJIFRHJC-OKILXGFUSA-N 1 1 321.373 1.485 20 10 DDCDMO COCC[NH+]1CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141026216 860765134 /nfs/dbraw/zinc/76/51/34/860765134.db2.gz IEMBAESIDRXRIH-UHFFFAOYSA-N 1 1 310.394 1.173 20 10 DDCDMO COC[C@H]1Cn2ccnc2C[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141157217 860797470 /nfs/dbraw/zinc/79/74/70/860797470.db2.gz DKIBNKBOBLQNDL-GFCCVEGCSA-N 1 1 303.362 1.573 20 10 DDCDMO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141157217 860797472 /nfs/dbraw/zinc/79/74/72/860797472.db2.gz DKIBNKBOBLQNDL-GFCCVEGCSA-N 1 1 303.362 1.573 20 10 DDCDMO CN1CCN(c2ccc(CNC(=O)C[C@H]3CCC[NH2+]3)cc2)CC1 ZINC001331420142 865075040 /nfs/dbraw/zinc/07/50/40/865075040.db2.gz SQNDBEFTQIHFBM-MRXNPFEDSA-N 1 1 316.449 1.197 20 10 DDCDMO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1N=NC(=O)N1C ZINC001332013739 865504259 /nfs/dbraw/zinc/50/42/59/865504259.db2.gz ZFGWTSQIOWSFEW-GFCCVEGCSA-N 1 1 301.394 1.972 20 10 DDCDMO CN1CCN(c2ccc(CNC(=O)C[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC001332070103 865550744 /nfs/dbraw/zinc/55/07/44/865550744.db2.gz VUXCRCNLIHYFBP-QGZVFWFLSA-N 1 1 316.449 1.182 20 10 DDCDMO Nc1ccc(CNC(=O)NCCCCC[NH+]2CCNCC2)cc1 ZINC001335645314 868451253 /nfs/dbraw/zinc/45/12/53/868451253.db2.gz KSGTYACXAIIFPU-UHFFFAOYSA-N 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C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1=CC[N@@H+](C)CC1 ZINC000272745607 130060327 /nfs/dbraw/zinc/06/03/27/130060327.db2.gz DHQLPWONCPDCFE-FVOPLDGLSA-N 1 1 302.374 1.878 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)c1 ZINC000273400677 130117435 /nfs/dbraw/zinc/11/74/35/130117435.db2.gz MXNYVQOQPXRQSA-STQMWFEESA-N 1 1 322.405 1.550 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)C2CC2)c1 ZINC000273423289 130119722 /nfs/dbraw/zinc/11/97/22/130119722.db2.gz SPVPAWIHQOOZTQ-SNVBAGLBSA-N 1 1 306.362 1.356 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC2(O)CCOCC2)c1 ZINC000287656842 131293378 /nfs/dbraw/zinc/29/33/78/131293378.db2.gz VEYUQEMRTCLPKV-GFCCVEGCSA-N 1 1 323.389 1.761 20 10 DDCDMO CN(C)c1ccc(C[N@H+](C)CCCN2CCN(C)CC2)cc1F ZINC000289431488 131385679 /nfs/dbraw/zinc/38/56/79/131385679.db2.gz KUSLZOUIIAQJFX-UHFFFAOYSA-N 1 1 322.472 1.961 20 10 DDCDMO CN(C)c1ccc(C[N@@H+](C)CCCN2CCN(C)CC2)cc1F ZINC000289431488 131385680 /nfs/dbraw/zinc/38/56/80/131385680.db2.gz KUSLZOUIIAQJFX-UHFFFAOYSA-N 1 1 322.472 1.961 20 10 DDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000092044986 407185449 /nfs/dbraw/zinc/18/54/49/407185449.db2.gz LGZVBEFWXODYMG-HNNXBMFYSA-N 1 1 324.446 1.701 20 10 DDCDMO CCOC(=O)CCCNC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000111235147 407402054 /nfs/dbraw/zinc/40/20/54/407402054.db2.gz FGSQKCUFUZGCPT-UHFFFAOYSA-N 1 1 308.378 1.284 20 10 DDCDMO CCCN(CC(=O)OC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278143546 409072459 /nfs/dbraw/zinc/07/24/59/409072459.db2.gz BFYXBOGBXRQZHQ-UHFFFAOYSA-N 1 1 312.322 1.694 20 10 DDCDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278227658 409077620 /nfs/dbraw/zinc/07/76/20/409077620.db2.gz MKPYXRNZOHBNRZ-NSHDSACASA-N 1 1 324.333 1.837 20 10 DDCDMO COc1c(O)c(C[NH2+][C@H](C)C[S@](C)=O)ccc1[N+](=O)[O-] ZINC000278295168 409079129 /nfs/dbraw/zinc/07/91/29/409079129.db2.gz CBETYUPLDAQDFY-SQFXPLBJSA-N 1 1 302.352 1.166 20 10 DDCDMO CN(C)S(=O)(=O)CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293865949 409196291 /nfs/dbraw/zinc/19/62/91/409196291.db2.gz IPMFXOCMLITNMF-UHFFFAOYSA-N 1 1 310.778 1.166 20 10 DDCDMO CN(C(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000264961943 418569428 /nfs/dbraw/zinc/56/94/28/418569428.db2.gz ZRBBRBNSUSOAPO-MRXNPFEDSA-N 1 1 318.417 1.994 20 10 DDCDMO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)c2cc(OC)ccc2O)C1 ZINC000372587832 418886125 /nfs/dbraw/zinc/88/61/25/418886125.db2.gz AGVRHPFNZLCKEK-CMPLNLGQSA-N 1 1 314.407 1.085 20 10 DDCDMO CN(C)c1ccc2c(c1)OCCN2CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000373224791 418932435 /nfs/dbraw/zinc/93/24/35/418932435.db2.gz YXAOPQJBOKDAGG-IYBDPMFKSA-N 1 1 317.433 1.815 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(C)OCCCO2)c1 ZINC000277384696 277161036 /nfs/dbraw/zinc/16/10/36/277161036.db2.gz XXAAFSXPXBSJFC-NSHDSACASA-N 1 1 309.362 1.983 20 10 DDCDMO NC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H]1C(F)(F)F ZINC000375400755 337010431 /nfs/dbraw/zinc/01/04/31/337010431.db2.gz NEXPUNBRPKTPTJ-NXEZZACHSA-N 1 1 306.259 1.627 20 10 DDCDMO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cc(OC)ccc1O ZINC000180255457 521651061 /nfs/dbraw/zinc/65/10/61/521651061.db2.gz FRZNDAIGPWQVHS-NSHDSACASA-N 1 1 301.408 1.656 20 10 DDCDMO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000180255457 521651063 /nfs/dbraw/zinc/65/10/63/521651063.db2.gz FRZNDAIGPWQVHS-NSHDSACASA-N 1 1 301.408 1.656 20 10 DDCDMO CC[NH+]1CCN(CCCCNC(=O)c2cccc(O)c2O)CC1 ZINC000188483710 521680330 /nfs/dbraw/zinc/68/03/30/521680330.db2.gz PSDCDIPRMWLKII-UHFFFAOYSA-N 1 1 321.421 1.245 20 10 DDCDMO CCN1CCN([C@H]2CC[N@H+](Cc3cc(OC)ccc3O)C2)CC1 ZINC000180069206 521695476 /nfs/dbraw/zinc/69/54/76/521695476.db2.gz QHNZNFJLDCWQMP-INIZCTEOSA-N 1 1 319.449 1.613 20 10 DDCDMO CCN1CCN([C@H]2CC[N@@H+](Cc3cc(OC)ccc3O)C2)CC1 ZINC000180069206 521695477 /nfs/dbraw/zinc/69/54/77/521695477.db2.gz QHNZNFJLDCWQMP-INIZCTEOSA-N 1 1 319.449 1.613 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]2CCc3ccccc3[C@H]2C(N)=O)c1 ZINC000364900705 524745051 /nfs/dbraw/zinc/74/50/51/524745051.db2.gz OJFTYLSHRNXNTK-KRWDZBQOSA-N 1 1 312.369 1.986 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCc3ccccc3[C@H]2C(N)=O)c1 ZINC000364900705 524745073 /nfs/dbraw/zinc/74/50/73/524745073.db2.gz OJFTYLSHRNXNTK-KRWDZBQOSA-N 1 1 312.369 1.986 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCCN(CC(F)F)CC1)OCO2 ZINC000159608326 526335211 /nfs/dbraw/zinc/33/52/11/526335211.db2.gz ICNLDZOOKVZMKC-UHFFFAOYSA-N 1 1 314.332 1.894 20 10 DDCDMO CC[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(F)cc1O ZINC000286349786 535803852 /nfs/dbraw/zinc/80/38/52/535803852.db2.gz ZFCMFHBAIYYEBV-GFCCVEGCSA-N 1 1 306.341 1.725 20 10 DDCDMO CCNC(=O)[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000042411945 696148785 /nfs/dbraw/zinc/14/87/85/696148785.db2.gz DNHZENZWCLNZSG-MRVPVSSYSA-N 1 1 301.184 1.769 20 10 DDCDMO COc1ccc(N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000082320334 696549086 /nfs/dbraw/zinc/54/90/86/696549086.db2.gz OGGFKNZEHAQTNF-OAHLLOKOSA-N 1 1 317.433 1.686 20 10 DDCDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093808763 696601306 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C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236932544 889430481 /nfs/dbraw/zinc/43/04/81/889430481.db2.gz RNYNIPJVNROMBT-CJNGLKHVSA-N 1 1 307.413 1.533 20 10 DDCDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236932544 889430489 /nfs/dbraw/zinc/43/04/89/889430489.db2.gz RNYNIPJVNROMBT-CJNGLKHVSA-N 1 1 307.413 1.533 20 10 DDCDMO CN(C)C(=O)C1C[NH+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237123812 889512252 /nfs/dbraw/zinc/51/22/52/889512252.db2.gz SVPVEVKILAHCCB-UHFFFAOYSA-N 1 1 318.295 1.811 20 10 DDCDMO C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237202676 889543488 /nfs/dbraw/zinc/54/34/88/889543488.db2.gz JLHPNOKTVAHWDA-CQSZACIVSA-N 1 1 308.447 1.906 20 10 DDCDMO CCOC[C@H]1C[N@H+](Cc2c(C)cccc2O)Cc2nnn(C)c21 ZINC001237488829 889666667 /nfs/dbraw/zinc/66/66/67/889666667.db2.gz RSGFGZDYQJHYSV-CYBMUJFWSA-N 1 1 316.405 1.965 20 10 DDCDMO CCOC[C@H]1C[N@@H+](Cc2c(C)cccc2O)Cc2nnn(C)c21 ZINC001237488829 889666668 /nfs/dbraw/zinc/66/66/68/889666668.db2.gz RSGFGZDYQJHYSV-CYBMUJFWSA-N 1 1 316.405 1.965 20 10 DDCDMO COc1cc(C[N@@H+]2CCN(C(C)=O)[C@H](C)C2)c(O)c(OC)c1 ZINC001237680039 889802259 /nfs/dbraw/zinc/80/22/59/889802259.db2.gz IHAZVPWZEJNQIW-LLVKDONJSA-N 1 1 308.378 1.462 20 10 DDCDMO COc1cc(C[N@H+]2CCN(C(C)=O)[C@H](C)C2)c(O)c(OC)c1 ZINC001237680039 889802265 /nfs/dbraw/zinc/80/22/65/889802265.db2.gz IHAZVPWZEJNQIW-LLVKDONJSA-N 1 1 308.378 1.462 20 10 DDCDMO C[C@@]1(CO)CC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C[C@@H]1O ZINC001237808275 889864383 /nfs/dbraw/zinc/86/43/83/889864383.db2.gz SPLKJYXJMWGHCX-JSGCOSHPSA-N 1 1 303.761 1.750 20 10 DDCDMO Nc1ccc(CNC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)cc1 ZINC001245987918 892309629 /nfs/dbraw/zinc/30/96/29/892309629.db2.gz NFLWGSMKZPQOPC-DLBZAZTESA-N 1 1 321.371 1.568 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)C2)c(O)c1 ZINC001249171243 893849684 /nfs/dbraw/zinc/84/96/84/893849684.db2.gz AVRQTHCLKJQKFH-PXAZEXFGSA-N 1 1 307.390 1.701 20 10 DDCDMO COC(=O)Cc1ccc(CN2CC[N@H+](C)C(C)(C)C2)c(O)c1 ZINC001249208206 893865005 /nfs/dbraw/zinc/86/50/05/893865005.db2.gz PSLOYJTUIFOHFK-UHFFFAOYSA-N 1 1 306.406 1.634 20 10 DDCDMO COC(=O)Cc1ccc(CN2CC[N@@H+](C)C(C)(C)C2)c(O)c1 ZINC001249208206 893865013 /nfs/dbraw/zinc/86/50/13/893865013.db2.gz PSLOYJTUIFOHFK-UHFFFAOYSA-N 1 1 306.406 1.634 20 10 DDCDMO CCOC(=O)CC[N@@H+](C)Cc1ccc(CC(=O)OC)cc1O ZINC001249208598 893865474 /nfs/dbraw/zinc/86/54/74/893865474.db2.gz XVLFLYCMFBGFHD-UHFFFAOYSA-N 1 1 309.362 1.493 20 10 DDCDMO CCOC1CC(O)(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000278508109 539280741 /nfs/dbraw/zinc/28/07/41/539280741.db2.gz RCYVUQQBGIVGCE-BLQFLSLASA-N 1 1 323.389 1.759 20 10 DDCDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000016080010 352156929 /nfs/dbraw/zinc/15/69/29/352156929.db2.gz BRMAPNVKPBNTCH-LLVKDONJSA-N 1 1 307.346 1.896 20 10 DDCDMO NC(=O)[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000092735151 353869398 /nfs/dbraw/zinc/86/93/98/353869398.db2.gz CZGVPLCRBQNMEK-KRWDZBQOSA-N 1 1 312.369 1.745 20 10 DDCDMO COc1cccc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1O ZINC000092070556 193152365 /nfs/dbraw/zinc/15/23/65/193152365.db2.gz AHJVFCCWVBNLEZ-ZDUSSCGKSA-N 1 1 302.378 1.905 20 10 DDCDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000272284751 130015862 /nfs/dbraw/zinc/01/58/62/130015862.db2.gz NHQPUZYHKCPMDN-CHWSQXEVSA-N 1 1 324.396 1.894 20 10 DDCDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272712993 130056931 /nfs/dbraw/zinc/05/69/31/130056931.db2.gz YEYVASGWDFJZNG-RIEIZIRISA-N 1 1 302.374 1.710 20 10 DDCDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272712985 130057477 /nfs/dbraw/zinc/05/74/77/130057477.db2.gz YEYVASGWDFJZNG-FXBFTRHCSA-N 1 1 302.374 1.710 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(CO)CCOCC2)c1 ZINC000273521427 130131953 /nfs/dbraw/zinc/13/19/53/130131953.db2.gz UHTBIFHMULKCMW-LBPRGKRZSA-N 1 1 323.389 1.619 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC(=O)N(C)C)c1 ZINC000273555488 130136696 /nfs/dbraw/zinc/13/66/96/130136696.db2.gz GVGATMZUTLYOLX-LLVKDONJSA-N 1 1 308.378 1.698 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1 ZINC000273587915 130139753 /nfs/dbraw/zinc/13/97/53/130139753.db2.gz OHRDVRVZJRRCEE-BMIGLBTASA-N 1 1 319.361 1.297 20 10 DDCDMO C[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000299575746 132112033 /nfs/dbraw/zinc/11/20/33/132112033.db2.gz URSUNOWZEWQNEJ-INIZCTEOSA-N 1 1 321.396 1.373 20 10 DDCDMO COc1cc(Cl)cc(C[N@@H+](C)CC(C)(CO)CO)c1O ZINC000184695737 408671322 /nfs/dbraw/zinc/67/13/22/408671322.db2.gz FSDMUCDVGMSPDA-UHFFFAOYSA-N 1 1 303.786 1.477 20 10 DDCDMO COc1c(O)c(C[NH2+]CCc2nnc(C)s2)ccc1[N+](=O)[O-] ZINC000291500788 408875070 /nfs/dbraw/zinc/87/50/70/408875070.db2.gz HKRWYSYBAQVRLY-UHFFFAOYSA-N 1 1 324.362 1.801 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1OC ZINC000276846396 408902018 /nfs/dbraw/zinc/90/20/18/408902018.db2.gz IPGIZLPQTGEUJW-ZDUSSCGKSA-N 1 1 320.389 1.606 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1OC ZINC000278793102 409089350 /nfs/dbraw/zinc/08/93/50/409089350.db2.gz PBBKPOARYMOHPD-MRXNPFEDSA-N 1 1 306.362 1.121 20 10 DDCDMO O=C(C[NH2+]Cc1cc(Cl)c(F)cc1O)N1CCOCC1 ZINC000293630639 409151248 /nfs/dbraw/zinc/15/12/48/409151248.db2.gz NDFVGRLPUROCGE-UHFFFAOYSA-N 1 1 302.733 1.133 20 10 DDCDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc3c(cc1O)OCO3)C[C@@H](C)O2 ZINC000279715415 409246117 /nfs/dbraw/zinc/24/61/17/409246117.db2.gz IHRWAKYHCNIMMN-BWACUDIHSA-N 1 1 321.373 1.889 20 10 DDCDMO COc1c(O)c(C[NH2+]C[C@]2(O)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000293897936 409202979 /nfs/dbraw/zinc/20/29/79/409202979.db2.gz FEPZBEUSDMVVFO-MEBBXXQBSA-N 1 1 310.350 1.950 20 10 DDCDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000295096094 409320858 /nfs/dbraw/zinc/32/08/58/409320858.db2.gz SBCPXDMHMSLISF-INIZCTEOSA-N 1 1 309.362 1.412 20 10 DDCDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1c(F)ccc(O)c1O ZINC000296676917 409630532 /nfs/dbraw/zinc/63/05/32/409630532.db2.gz LBGCFDRPLQCFLV-NSHDSACASA-N 1 1 308.353 1.984 20 10 DDCDMO C[C@H]1C[C@@H](CO)CC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000297947912 410057275 /nfs/dbraw/zinc/05/72/75/410057275.db2.gz AUEUVUVKQWXSCF-HOCLYGCPSA-N 1 1 319.449 1.462 20 10 DDCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000352119773 410494134 /nfs/dbraw/zinc/49/41/34/410494134.db2.gz HEGIWGSOZSDLLM-INIZCTEOSA-N 1 1 301.390 1.434 20 10 DDCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000352119773 410494138 /nfs/dbraw/zinc/49/41/38/410494138.db2.gz HEGIWGSOZSDLLM-INIZCTEOSA-N 1 1 301.390 1.434 20 10 DDCDMO c1nc2c([nH]1)CC[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC000368092018 418688186 /nfs/dbraw/zinc/68/81/86/418688186.db2.gz ZFQHVBNWCZCVDQ-OAHLLOKOSA-N 1 1 312.417 1.893 20 10 DDCDMO CC[C@H](c1ccccc1O)[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000368796234 418725313 /nfs/dbraw/zinc/72/53/13/418725313.db2.gz JDEJDKRAHCSYNU-DZGCQCFKSA-N 1 1 324.446 1.999 20 10 DDCDMO CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O ZINC000368964361 418726997 /nfs/dbraw/zinc/72/69/97/418726997.db2.gz OHEHWCWLRIANHP-LNSITVRQSA-N 1 1 304.390 1.877 20 10 DDCDMO COc1c(O)c(C[NH2+][C@H]2CCO[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000365804323 418910048 /nfs/dbraw/zinc/91/00/48/418910048.db2.gz DNHQYURENFYRGA-FZMZJTMJSA-N 1 1 308.334 1.966 20 10 DDCDMO CCOC[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000530105582 421578575 /nfs/dbraw/zinc/57/85/75/421578575.db2.gz HJMQBECMNKKHCA-DOMZBBRYSA-N 1 1 309.362 1.055 20 10 DDCDMO CCOC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000530105582 421578579 /nfs/dbraw/zinc/57/85/79/421578579.db2.gz HJMQBECMNKKHCA-DOMZBBRYSA-N 1 1 309.362 1.055 20 10 DDCDMO C[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000174620026 490684181 /nfs/dbraw/zinc/68/41/81/490684181.db2.gz LIECRTOWAGSYCG-MRXNPFEDSA-N 1 1 303.406 1.234 20 10 DDCDMO C[N@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000174620026 490684183 /nfs/dbraw/zinc/68/41/83/490684183.db2.gz LIECRTOWAGSYCG-MRXNPFEDSA-N 1 1 303.406 1.234 20 10 DDCDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](C(=O)NC)C2)cc1 ZINC000182460081 520891248 /nfs/dbraw/zinc/89/12/48/520891248.db2.gz RGDDQWVQONRGBR-INIZCTEOSA-N 1 1 305.422 1.480 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](C(=O)NC)C2)cc1 ZINC000182460081 520891257 /nfs/dbraw/zinc/89/12/57/520891257.db2.gz RGDDQWVQONRGBR-INIZCTEOSA-N 1 1 305.422 1.480 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000180773809 524737739 /nfs/dbraw/zinc/73/77/39/524737739.db2.gz SLTCRPLXNOFCJF-CYBMUJFWSA-N 1 1 302.378 1.905 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000273693005 536147437 /nfs/dbraw/zinc/14/74/37/536147437.db2.gz BQBICZQDQIDKIU-HNNXBMFYSA-N 1 1 302.422 1.789 20 10 DDCDMO [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000128323827 696778389 /nfs/dbraw/zinc/77/83/89/696778389.db2.gz ZMQXRDPYFYSPDU-NSHDSACASA-N 1 1 311.813 1.333 20 10 DDCDMO [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000128323827 696778391 /nfs/dbraw/zinc/77/83/91/696778391.db2.gz ZMQXRDPYFYSPDU-NSHDSACASA-N 1 1 311.813 1.333 20 10 DDCDMO CCC[N@@H+](Cc1cccc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000161103756 697321681 /nfs/dbraw/zinc/32/16/81/697321681.db2.gz YKCJPLIEYJGLFT-CYBMUJFWSA-N 1 1 313.419 1.800 20 10 DDCDMO COc1ccc(O)c(CNC(=O)CCCC[NH+]2CCOCC2)c1 ZINC000178284938 697422714 /nfs/dbraw/zinc/42/27/14/697422714.db2.gz PIBKZVYGKPLYGQ-UHFFFAOYSA-N 1 1 322.405 1.520 20 10 DDCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(=O)NCC ZINC000772798441 697679990 /nfs/dbraw/zinc/67/99/90/697679990.db2.gz RGIFPCURGUIECW-LBPRGKRZSA-N 1 1 307.394 1.838 20 10 DDCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)cc1 ZINC000773809143 697808191 /nfs/dbraw/zinc/80/81/91/697808191.db2.gz RKVNREKIDIGDDD-OAHLLOKOSA-N 1 1 311.451 1.266 20 10 DDCDMO COc1c(O)c(C[NH2+]CC[C@@H](C)[S@](C)=O)ccc1[N+](=O)[O-] ZINC000775051577 697958030 /nfs/dbraw/zinc/95/80/30/697958030.db2.gz NULDGVJEZYREAB-BTKVJGODSA-N 1 1 316.379 1.556 20 10 DDCDMO CNC(=O)[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000398459823 699120831 /nfs/dbraw/zinc/12/08/31/699120831.db2.gz ILRRNJIMIXMNCW-JTQLQIEISA-N 1 1 313.195 1.723 20 10 DDCDMO CNC(=O)[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000398459823 699120834 /nfs/dbraw/zinc/12/08/34/699120834.db2.gz ILRRNJIMIXMNCW-JTQLQIEISA-N 1 1 313.195 1.723 20 10 DDCDMO CCC[N@@H+](CC(=O)NC(=O)NC1CC1)Cc1ccccc1O ZINC000727831321 699427597 /nfs/dbraw/zinc/42/75/97/699427597.db2.gz VVYWQIUADHNISX-UHFFFAOYSA-N 1 1 305.378 1.592 20 10 DDCDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732290358 699554408 /nfs/dbraw/zinc/55/44/08/699554408.db2.gz VATHRGCJTBGBDU-ZDUSSCGKSA-N 1 1 323.462 1.696 20 10 DDCDMO COc1ccc(O)c(C[N@H+](CCN(C)C)C[C@H]2CCCO2)c1 ZINC000809738208 701684001 /nfs/dbraw/zinc/68/40/01/701684001.db2.gz SQSPPHVUPUPCBB-MRXNPFEDSA-N 1 1 308.422 1.943 20 10 DDCDMO COc1ccc(O)c(C[N@@H+](CCN(C)C)C[C@H]2CCCO2)c1 ZINC000809738208 701684004 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Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)[C@@H](O)CO2 ZINC000840117272 701977956 /nfs/dbraw/zinc/97/79/56/701977956.db2.gz AJZLMUVCGOZASL-CRNXPOROSA-N 1 1 319.401 1.943 20 10 DDCDMO Cc1cc(N(C)C)ccc1CN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000840940805 702287804 /nfs/dbraw/zinc/28/78/04/702287804.db2.gz GFZPWNMZUJABJR-JKSUJKDBSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000840940805 702287809 /nfs/dbraw/zinc/28/78/09/702287809.db2.gz GFZPWNMZUJABJR-JKSUJKDBSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000840940805 702287814 /nfs/dbraw/zinc/28/78/14/702287814.db2.gz GFZPWNMZUJABJR-JKSUJKDBSA-N 1 1 305.466 1.948 20 10 DDCDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841002830 702306422 /nfs/dbraw/zinc/30/64/22/702306422.db2.gz ILKJKSGEXYPNJS-ZDUSSCGKSA-N 1 1 318.421 1.588 20 10 DDCDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841069783 702335326 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CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c1O ZINC000377653053 418711234 /nfs/dbraw/zinc/71/12/34/418711234.db2.gz MBHUBJVRDXFEFE-DGCLKSJQSA-N 1 1 322.792 1.816 20 10 DDCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c1O ZINC000377653053 418711237 /nfs/dbraw/zinc/71/12/37/418711237.db2.gz MBHUBJVRDXFEFE-DGCLKSJQSA-N 1 1 322.792 1.816 20 10 DDCDMO COc1ccc(O)c(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000377664863 418713104 /nfs/dbraw/zinc/71/31/04/418713104.db2.gz FAXKQRUUQLRFJN-UONOGXRCSA-N 1 1 319.405 1.827 20 10 DDCDMO c1ncn([C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000364512551 418782983 /nfs/dbraw/zinc/78/29/83/418782983.db2.gz RVXBFUKVIOOSKQ-QGZVFWFLSA-N 1 1 313.405 1.562 20 10 DDCDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cccc(OC)c1O ZINC000372280778 418850803 /nfs/dbraw/zinc/85/08/03/418850803.db2.gz GBUBKXGEFIRWNV-KGLIPLIRSA-N 1 1 323.389 1.943 20 10 DDCDMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131580168 278203711 /nfs/dbraw/zinc/20/37/11/278203711.db2.gz OXEXWWGIARGPQP-ZDUSSCGKSA-N 1 1 318.421 1.692 20 10 DDCDMO Cc1cc(C)c(O)c(C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000530103154 303176018 /nfs/dbraw/zinc/17/60/18/303176018.db2.gz TYUKPKFHVGSJLR-UHFFFAOYSA-N 1 1 324.446 1.619 20 10 DDCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)NCC(=O)OC ZINC000157061156 521691050 /nfs/dbraw/zinc/69/10/50/521691050.db2.gz XXHWONJRPSNWQW-GFCCVEGCSA-N 1 1 308.378 1.282 20 10 DDCDMO COc1cccc(CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1O ZINC000188897772 525944480 /nfs/dbraw/zinc/94/44/80/525944480.db2.gz HDIAJMLWDPXTNY-CYBMUJFWSA-N 1 1 308.422 1.678 20 10 DDCDMO COc1cccc(C[N@@H+]2CCN(CC(C)(C)O)[C@H](C)C2)c1O ZINC000188897772 525944487 /nfs/dbraw/zinc/94/44/87/525944487.db2.gz HDIAJMLWDPXTNY-CYBMUJFWSA-N 1 1 308.422 1.678 20 10 DDCDMO COc1cccc(C[N@H+]2CCN(CC(C)(C)O)[C@H](C)C2)c1O ZINC000188897772 525944493 /nfs/dbraw/zinc/94/44/93/525944493.db2.gz HDIAJMLWDPXTNY-CYBMUJFWSA-N 1 1 308.422 1.678 20 10 DDCDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCOC1 ZINC000798502570 700070548 /nfs/dbraw/zinc/07/05/48/700070548.db2.gz QXGQRSDHUSPUPD-RDJZCZTQSA-N 1 1 303.450 1.953 20 10 DDCDMO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1O ZINC000062745967 696325600 /nfs/dbraw/zinc/32/56/00/696325600.db2.gz YTGCIUQANKXNRO-SNVBAGLBSA-N 1 1 316.398 1.606 20 10 DDCDMO CC[N@@H+]1CCO[C@@H](C(=O)NCCCSc2nccs2)C1 ZINC000074675994 696415606 /nfs/dbraw/zinc/41/56/06/696415606.db2.gz LTTIAUCDIIIYCT-LLVKDONJSA-N 1 1 315.464 1.462 20 10 DDCDMO CC[N@H+]1CCO[C@@H](C(=O)NCCCSc2nccs2)C1 ZINC000074675994 696415608 /nfs/dbraw/zinc/41/56/08/696415608.db2.gz LTTIAUCDIIIYCT-LLVKDONJSA-N 1 1 315.464 1.462 20 10 DDCDMO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cccc(Br)c1O ZINC000093899275 696601769 /nfs/dbraw/zinc/60/17/69/696601769.db2.gz RZSUTUCYEJBRQE-VIFPVBQESA-N 1 1 315.211 1.969 20 10 DDCDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cccc(Br)c1O ZINC000093899275 696601771 /nfs/dbraw/zinc/60/17/71/696601771.db2.gz RZSUTUCYEJBRQE-VIFPVBQESA-N 1 1 315.211 1.969 20 10 DDCDMO CCNC(=O)C[N@H+](CC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000119313705 696679428 /nfs/dbraw/zinc/67/94/28/696679428.db2.gz XJUHIHLGLDEKPY-UHFFFAOYSA-N 1 1 323.412 1.620 20 10 DDCDMO CCNC(=O)C[N@@H+](CC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000119313705 696679429 /nfs/dbraw/zinc/67/94/29/696679429.db2.gz XJUHIHLGLDEKPY-UHFFFAOYSA-N 1 1 323.412 1.620 20 10 DDCDMO CC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000194565216 697714151 /nfs/dbraw/zinc/71/41/51/697714151.db2.gz LUFQBAGMYQIVCH-MRXNPFEDSA-N 1 1 306.406 1.907 20 10 DDCDMO CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000194565216 697714154 /nfs/dbraw/zinc/71/41/54/697714154.db2.gz LUFQBAGMYQIVCH-MRXNPFEDSA-N 1 1 306.406 1.907 20 10 DDCDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000773756915 697801029 /nfs/dbraw/zinc/80/10/29/697801029.db2.gz QRLJMSOPTOJOAM-AAEUAGOBSA-N 1 1 324.446 1.582 20 10 DDCDMO CCC[N@H+](Cc1nc(CC(=O)NC)no1)Cc1ccccc1O ZINC000749795779 700185119 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COC(=O)C[N@@H+](Cc1cc(OC)ccc1O)C1CCOCC1 ZINC000775722871 698025751 /nfs/dbraw/zinc/02/57/51/698025751.db2.gz FENJWYSREDKUSJ-UHFFFAOYSA-N 1 1 309.362 1.555 20 10 DDCDMO Cc1cc(Br)cc(C[N@@H+](C)CCOCCO)c1O ZINC000800545502 700231899 /nfs/dbraw/zinc/23/18/99/700231899.db2.gz TVVAKWYZHJCLAA-UHFFFAOYSA-N 1 1 318.211 1.904 20 10 DDCDMO COCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCOC1 ZINC000782960571 698789232 /nfs/dbraw/zinc/78/92/32/698789232.db2.gz HELWFDANMLQJQF-ZDUSSCGKSA-N 1 1 311.378 1.647 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@]4(CO)C3)cc2)CC1 ZINC000783735793 698872533 /nfs/dbraw/zinc/87/25/33/698872533.db2.gz SGOLMWNUEOZMBI-FUHWJXTLSA-N 1 1 301.434 1.253 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@]4(CO)C3)cc2)CC1 ZINC000783735793 698872539 /nfs/dbraw/zinc/87/25/39/698872539.db2.gz SGOLMWNUEOZMBI-FUHWJXTLSA-N 1 1 301.434 1.253 20 10 DDCDMO Cc1cc(Br)cc(C[N@@H+](C)CCC(N)=O)c1O ZINC000382383518 699067423 /nfs/dbraw/zinc/06/74/23/699067423.db2.gz PTRBTEJAXQNHOU-UHFFFAOYSA-N 1 1 301.184 1.770 20 10 DDCDMO CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000790759502 699595342 /nfs/dbraw/zinc/59/53/42/699595342.db2.gz HQNVBHMSGPHJPA-YPMHNXCESA-N 1 1 301.358 1.596 20 10 DDCDMO CCn1ncnc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000793346449 699751867 /nfs/dbraw/zinc/75/18/67/699751867.db2.gz QGBLAOGPDSNCNV-UHFFFAOYSA-N 1 1 301.394 1.424 20 10 DDCDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc3c(cc1O)OC[C@@H]3O)CCO2 ZINC000794655153 699821599 /nfs/dbraw/zinc/82/15/99/699821599.db2.gz BBMPUBUYZQZZSE-KCTSRDHCSA-N 1 1 321.373 1.198 20 10 DDCDMO CC[N@@H+](CCC(N)=O)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000743272267 699905373 /nfs/dbraw/zinc/90/53/73/699905373.db2.gz RTQDTZRVNKYWFL-UHFFFAOYSA-N 1 1 319.449 1.999 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COCC2CC2)c1 ZINC000756509748 700625081 /nfs/dbraw/zinc/62/50/81/700625081.db2.gz DYMDCGFQIWWWDV-SMDDNHRTSA-N 1 1 323.389 1.617 20 10 DDCDMO C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1[O-] ZINC000756547775 700627190 /nfs/dbraw/zinc/62/71/90/700627190.db2.gz HKPLXWXFRVPZRS-CHWSQXEVSA-N 1 1 323.412 1.769 20 10 DDCDMO CN(C)C(=O)NCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000757863658 700674510 /nfs/dbraw/zinc/67/45/10/700674510.db2.gz FYBSBFBPVMNEES-UHFFFAOYSA-N 1 1 320.437 1.226 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2ccnn2C)c1 ZINC000762777985 700906235 /nfs/dbraw/zinc/90/62/35/700906235.db2.gz GTEAJNSEXVAXNB-LLVKDONJSA-N 1 1 303.362 1.806 20 10 DDCDMO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[S@@]1=O ZINC000763479049 700939186 /nfs/dbraw/zinc/93/91/86/700939186.db2.gz BZVOYYMRNZCRHX-NYHFZMIOSA-N 1 1 322.474 1.866 20 10 DDCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[S@@]1=O ZINC000763479049 700939188 /nfs/dbraw/zinc/93/91/88/700939188.db2.gz BZVOYYMRNZCRHX-NYHFZMIOSA-N 1 1 322.474 1.866 20 10 DDCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCN1CCCOCC1 ZINC000809752077 701685932 /nfs/dbraw/zinc/68/59/32/701685932.db2.gz ZWTKZRSHOGPHOT-UHFFFAOYSA-N 1 1 302.777 1.997 20 10 DDCDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768438524 701176857 /nfs/dbraw/zinc/17/68/57/701176857.db2.gz SYSGOFRZDXMODA-NHYWBVRUSA-N 1 1 321.373 1.593 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCS[C@@H]3COCC[C@@H]31)[C@H](O)CO2 ZINC000768461337 701179090 /nfs/dbraw/zinc/17/90/90/701179090.db2.gz AXFDSVKVEBAHFO-JGGQBBKZSA-N 1 1 323.414 1.524 20 10 DDCDMO C[N@H+]1CC[C@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000804737077 701210725 /nfs/dbraw/zinc/21/07/25/701210725.db2.gz DCDGFZJMZCBOFB-VIFPVBQESA-N 1 1 313.195 1.723 20 10 DDCDMO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771836717 701333914 /nfs/dbraw/zinc/33/39/14/701333914.db2.gz PCSDGKKGPAICLL-GOSISDBHSA-N 1 1 305.466 1.935 20 10 DDCDMO Cc1cc(C[NH+]2CCN(C(=O)N(C)C)CC2)ccc1N(C)C ZINC000815008049 701781684 /nfs/dbraw/zinc/78/16/84/701781684.db2.gz LWURULFRXLQEQY-UHFFFAOYSA-N 1 1 304.438 1.860 20 10 DDCDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840153785 702000408 /nfs/dbraw/zinc/00/04/08/702000408.db2.gz LVVCZBNAZHZNFB-CJNGLKHVSA-N 1 1 306.406 1.733 20 10 DDCDMO CC(C)N1CC[C@@H]([N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840153785 702000415 /nfs/dbraw/zinc/00/04/15/702000415.db2.gz LVVCZBNAZHZNFB-CJNGLKHVSA-N 1 1 306.406 1.733 20 10 DDCDMO CC(C)N1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840153785 702000422 /nfs/dbraw/zinc/00/04/22/702000422.db2.gz LVVCZBNAZHZNFB-CJNGLKHVSA-N 1 1 306.406 1.733 20 10 DDCDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868281333 702039426 /nfs/dbraw/zinc/03/94/26/702039426.db2.gz OTILOQZJXCGJFM-ZIAGYGMSSA-N 1 1 321.421 1.863 20 10 DDCDMO OCc1cn([C@@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)nn1 ZINC000816642028 702133944 /nfs/dbraw/zinc/13/39/44/702133944.db2.gz NFJNKLCAUMBSPF-GFCCVEGCSA-N 1 1 322.796 1.967 20 10 DDCDMO C[NH2+]CCCNCc1cc(Br)cc(OC)c1O ZINC000841042697 702320981 /nfs/dbraw/zinc/32/09/81/702320981.db2.gz PWKODPWVEKHTLH-UHFFFAOYSA-N 1 1 303.200 1.862 20 10 DDCDMO C[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CC[NH2+]1 ZINC000841061845 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CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000775403950 697993312 /nfs/dbraw/zinc/99/33/12/697993312.db2.gz LCGOLAPINQOSFP-CJNGLKHVSA-N 1 1 305.422 1.651 20 10 DDCDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000775403950 697993315 /nfs/dbraw/zinc/99/33/15/697993315.db2.gz LCGOLAPINQOSFP-CJNGLKHVSA-N 1 1 305.422 1.651 20 10 DDCDMO Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCNC2=O)c1O ZINC000775745497 698028847 /nfs/dbraw/zinc/02/88/47/698028847.db2.gz WSTOKMVISBGOHY-NSHDSACASA-N 1 1 313.195 1.783 20 10 DDCDMO COC(=O)C(C)(C)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000779191048 698401082 /nfs/dbraw/zinc/40/10/82/698401082.db2.gz OSCHMQQJBZAUIT-UHFFFAOYSA-N 1 1 310.369 1.601 20 10 DDCDMO C[C@H](O)C[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000305207192 698641227 /nfs/dbraw/zinc/64/12/27/698641227.db2.gz DASGRZMGTFMCPW-WMLDXEAASA-N 1 1 319.449 1.604 20 10 DDCDMO CCC[N@@H+](CC(N)=O)Cc1cc(Br)ccc1O ZINC000310402945 698670545 /nfs/dbraw/zinc/67/05/45/698670545.db2.gz LBEJJZBTKFEOKT-UHFFFAOYSA-N 1 1 301.184 1.852 20 10 DDCDMO CN(C)C1(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)CCC1 ZINC000783548938 698851932 /nfs/dbraw/zinc/85/19/32/698851932.db2.gz YGFZQTZRRIALGM-HNNXBMFYSA-N 1 1 306.406 1.734 20 10 DDCDMO CN(C)C1(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)CCC1 ZINC000783548938 698851938 /nfs/dbraw/zinc/85/19/38/698851938.db2.gz YGFZQTZRRIALGM-HNNXBMFYSA-N 1 1 306.406 1.734 20 10 DDCDMO C[C@@H](O)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000787132152 699192872 /nfs/dbraw/zinc/19/28/72/699192872.db2.gz VSXJRNGRXRQZRW-ZWNOBZJWSA-N 1 1 312.797 1.507 20 10 DDCDMO COc1ccc(O)c([C@@H](C)NC(=O)CC[NH+]2CCOCC2)c1 ZINC000728978605 699461674 /nfs/dbraw/zinc/46/16/74/699461674.db2.gz JPKKSUYRROBYRS-GFCCVEGCSA-N 1 1 308.378 1.300 20 10 DDCDMO CCN(CC)c1ccc(C[N@@H+](C)CCN2C(=O)CNC2=O)cc1 ZINC000729542639 699482329 /nfs/dbraw/zinc/48/23/29/699482329.db2.gz MKAQHDTUDWSACG-UHFFFAOYSA-N 1 1 318.421 1.516 20 10 DDCDMO CCN(CC)c1ccc(CNC(=O)CN2CC[NH+](C)CC2)cc1 ZINC000732272768 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Oc1cc2c(cc1CN1CC[C@H]([NH+]3CC=CC3)C1)[C@H](O)CO2 ZINC000768465482 701180627 /nfs/dbraw/zinc/18/06/27/701180627.db2.gz HROUNSAJHHEOJX-XJKSGUPXSA-N 1 1 302.374 1.264 20 10 DDCDMO CCOc1ccc(O)c(C[NH+]2CCN(CCCCO)CC2)c1 ZINC000769393392 701243247 /nfs/dbraw/zinc/24/32/47/701243247.db2.gz BDIMPTCCVNVQLU-UHFFFAOYSA-N 1 1 308.422 1.681 20 10 DDCDMO CCOCC[C@H](O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000769694588 701252860 /nfs/dbraw/zinc/25/28/60/701252860.db2.gz CIBXNFUXBMJUFP-SFHVURJKSA-N 1 1 322.449 1.743 20 10 DDCDMO Cc1cc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)ccc1N(C)C ZINC000815070667 701792514 /nfs/dbraw/zinc/79/25/14/701792514.db2.gz XTYARQYLUPEZER-AWEZNQCLSA-N 1 1 311.451 1.314 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+]1C[C@]3(CCCO3)[C@H]1C1CC1)[C@H](O)CO2 ZINC000840097522 701967975 /nfs/dbraw/zinc/96/79/75/701967975.db2.gz PEOZSRXNERZMQR-KBAYOESNSA-N 1 1 317.385 1.961 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1C[C@]3(CCCO3)[C@H]1C1CC1)[C@H](O)CO2 ZINC000840097522 701967978 /nfs/dbraw/zinc/96/79/78/701967978.db2.gz PEOZSRXNERZMQR-KBAYOESNSA-N 1 1 317.385 1.961 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000840951315 702291627 /nfs/dbraw/zinc/29/16/27/702291627.db2.gz WCYAPENZVIGQDT-IYBDPMFKSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(N(C)C)ccc1CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000840951315 702291631 /nfs/dbraw/zinc/29/16/31/702291631.db2.gz WCYAPENZVIGQDT-IYBDPMFKSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(N(C)C)ccc1CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000840951315 702291634 /nfs/dbraw/zinc/29/16/34/702291634.db2.gz WCYAPENZVIGQDT-IYBDPMFKSA-N 1 1 305.466 1.948 20 10 DDCDMO C[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000841007476 702308158 /nfs/dbraw/zinc/30/81/58/702308158.db2.gz OGGAHFKKCDPRNG-CHWSQXEVSA-N 1 1 318.421 1.444 20 10 DDCDMO CN1CCN(c2ccc(CN3CC[C@]4(CCC[NH2+]4)C3)cc2)CC1 ZINC000841105243 702348725 /nfs/dbraw/zinc/34/87/25/702348725.db2.gz CDJHNFFJCHKETN-LJQANCHMSA-N 1 1 314.477 1.766 20 10 DDCDMO 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/nfs/dbraw/zinc/89/62/68/705896268.db2.gz BQDOQMFNBHAAFW-BZNIZROVSA-N 1 1 316.357 1.703 20 10 DDCDMO Cc1ccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC000877022457 705961761 /nfs/dbraw/zinc/96/17/61/705961761.db2.gz VITYWKBHOREMPH-HNNXBMFYSA-N 1 1 305.422 1.378 20 10 DDCDMO COc1c(O)c(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000827692264 706050776 /nfs/dbraw/zinc/05/07/76/706050776.db2.gz HCBAZNSYNGGUEW-BONVTDFDSA-N 1 1 310.350 1.759 20 10 DDCDMO COc1c(O)c(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000827692264 706050780 /nfs/dbraw/zinc/05/07/80/706050780.db2.gz HCBAZNSYNGGUEW-BONVTDFDSA-N 1 1 310.350 1.759 20 10 DDCDMO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000827812576 706071408 /nfs/dbraw/zinc/07/14/08/706071408.db2.gz QNZTXZBKTDZDPZ-WKILWMFISA-N 1 1 317.433 1.480 20 10 DDCDMO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](CO)O1 ZINC000877466666 706115381 /nfs/dbraw/zinc/11/53/81/706115381.db2.gz OWOAQKZKNRZLSA-KBXCAEBGSA-N 1 1 320.433 1.229 20 10 DDCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](CO)O1 ZINC000877466666 706115382 /nfs/dbraw/zinc/11/53/82/706115382.db2.gz OWOAQKZKNRZLSA-KBXCAEBGSA-N 1 1 320.433 1.229 20 10 DDCDMO OC[C@@H]1CSCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000877780547 706208512 /nfs/dbraw/zinc/20/85/12/706208512.db2.gz UMKOZSNNWOXBIU-MRXNPFEDSA-N 1 1 308.447 1.433 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)c1 ZINC000877784942 706211266 /nfs/dbraw/zinc/21/12/66/706211266.db2.gz NQUPXZOTTKOLGB-HOTGVXAUSA-N 1 1 323.389 1.753 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)c1 ZINC000877784942 706211270 /nfs/dbraw/zinc/21/12/70/706211270.db2.gz NQUPXZOTTKOLGB-HOTGVXAUSA-N 1 1 323.389 1.753 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000877790176 706215006 /nfs/dbraw/zinc/21/50/06/706215006.db2.gz DSNFCEUECFHYQL-AAEUAGOBSA-N 1 1 311.403 1.267 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000877790176 706215007 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CN(C)c1ccc(/C=C/C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000835025173 707158029 /nfs/dbraw/zinc/15/80/29/707158029.db2.gz GLSHKKNZMRMHNV-CWDCEQMOSA-N 1 1 301.390 1.902 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000835025173 707158031 /nfs/dbraw/zinc/15/80/31/707158031.db2.gz GLSHKKNZMRMHNV-CWDCEQMOSA-N 1 1 301.390 1.902 20 10 DDCDMO Cc1cc(O)c(C[NH2+]Cc2nnc3c(=O)n(C)ccn23)cc1C ZINC000883333077 707977070 /nfs/dbraw/zinc/97/70/70/707977070.db2.gz KVWFSICLJDRGPS-UHFFFAOYSA-N 1 1 313.361 1.040 20 10 DDCDMO CC[N@H+]1CC[C@@H]1CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000883894730 708077674 /nfs/dbraw/zinc/07/76/74/708077674.db2.gz KQOMRDYCAYHZDB-VXGBXAGGSA-N 1 1 307.394 1.855 20 10 DDCDMO COc1cccc(CNC(=O)NCC[N@H+]2CC[C@H](C)C2)c1O ZINC000897437925 708329324 /nfs/dbraw/zinc/32/93/24/708329324.db2.gz PUZDFMQGCONOLN-LBPRGKRZSA-N 1 1 307.394 1.542 20 10 DDCDMO COc1ccc(C[N@H+](C)CC(=O)NC(C)(C)C)c(O)c1OC ZINC000891518971 710225901 /nfs/dbraw/zinc/22/59/01/710225901.db2.gz 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706993428 /nfs/dbraw/zinc/99/34/28/706993428.db2.gz FIXQRAYFVIHEFQ-KGLIPLIRSA-N 1 1 320.389 1.327 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1)OCO2 ZINC000824653482 705500058 /nfs/dbraw/zinc/50/00/58/705500058.db2.gz BSCXMPSHNNEIHR-MRVWCRGKSA-N 1 1 321.373 1.483 20 10 DDCDMO COc1cccc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1O ZINC000824654419 705500269 /nfs/dbraw/zinc/50/02/69/705500269.db2.gz OBDUYCVKSLPDFK-KFWWJZLASA-N 1 1 307.390 1.763 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@H](NC(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000824943409 705562997 /nfs/dbraw/zinc/56/29/97/705562997.db2.gz NBYYEAYFLGDFIT-LBPRGKRZSA-N 1 1 321.421 1.941 20 10 DDCDMO CN(C)c1ccc(C[NH2+]Cc2nc(Br)nn2C)cc1 ZINC000894159045 710991924 /nfs/dbraw/zinc/99/19/24/710991924.db2.gz AKDJTPOTQNJNIH-UHFFFAOYSA-N 1 1 324.226 1.933 20 10 DDCDMO C[N@@H+](Cc1cc(Br)ccc1O)[C@@]1(CO)CCOC1 ZINC000862426930 705716103 /nfs/dbraw/zinc/71/61/03/705716103.db2.gz QKHABBWZPCLOQY-CYBMUJFWSA-N 1 1 316.195 1.738 20 10 DDCDMO COCCOCC[N@@H+](C)CCC(=O)N(C)c1ccc(N)cc1 ZINC000877076905 705977857 /nfs/dbraw/zinc/97/78/57/705977857.db2.gz SRRPAPMWIJNVFG-UHFFFAOYSA-N 1 1 309.410 1.217 20 10 DDCDMO CN(C)c1ccc(C[N@@H+](CCc2nnnn2C)C2CC2)cc1 ZINC000877977833 706256859 /nfs/dbraw/zinc/25/68/59/706256859.db2.gz WJALPTTXLRJJMP-UHFFFAOYSA-N 1 1 300.410 1.483 20 10 DDCDMO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834592330 707091074 /nfs/dbraw/zinc/09/10/74/707091074.db2.gz LYOGPCCTCZTJEX-JRFBKZHLSA-N 1 1 320.364 1.756 20 10 DDCDMO CN1CCCC[C@@H]([N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)C1=O ZINC000872676343 707553929 /nfs/dbraw/zinc/55/39/29/707553929.db2.gz QZIJSULPRBMOJB-HIFRSBDPSA-N 1 1 320.389 1.261 20 10 DDCDMO OCCOC1(C[NH2+]Cc2cc(F)cc(F)c2O)CCOCC1 ZINC000883112191 707930492 /nfs/dbraw/zinc/93/04/92/707930492.db2.gz COVWGXXCRADTBA-UHFFFAOYSA-N 1 1 317.332 1.318 20 10 DDCDMO COC(=O)N[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000884485362 708314481 /nfs/dbraw/zinc/31/44/81/708314481.db2.gz VNLJFRSKDHBMCD-LBPRGKRZSA-N 1 1 301.346 1.871 20 10 DDCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1CS(N)(=O)=O ZINC000897610415 708392831 /nfs/dbraw/zinc/39/28/31/708392831.db2.gz SPDUFGROAOZAJS-KOLCDFICSA-N 1 1 318.826 1.402 20 10 DDCDMO O=S1(=O)C[C@H]2C[N@H+](Cc3c(O)ccc(Cl)c3F)C[C@H]2C1 ZINC000897618958 708396298 /nfs/dbraw/zinc/39/62/98/708396298.db2.gz NCRCOCWBPSKDAN-DTORHVGOSA-N 1 1 319.785 1.661 20 10 DDCDMO O=S1(=O)C[C@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3F)C[C@H]2C1 ZINC000897618958 708396300 /nfs/dbraw/zinc/39/63/00/708396300.db2.gz NCRCOCWBPSKDAN-DTORHVGOSA-N 1 1 319.785 1.661 20 10 DDCDMO Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(O)c1O ZINC000889760081 709617818 /nfs/dbraw/zinc/61/78/18/709617818.db2.gz BBMAYUBTEZDGCJ-UONOGXRCSA-N 1 1 320.389 1.077 20 10 DDCDMO COc1ccc(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c(O)c1OC ZINC000894954967 711337073 /nfs/dbraw/zinc/33/70/73/711337073.db2.gz FCCCNRWMDBLUSE-STQMWFEESA-N 1 1 324.421 1.296 20 10 DDCDMO COc1ccc(C[N@@H+]2C[C@H](C)N(CCO)C[C@@H]2C)c(O)c1OC ZINC000894954967 711337078 /nfs/dbraw/zinc/33/70/78/711337078.db2.gz FCCCNRWMDBLUSE-STQMWFEESA-N 1 1 324.421 1.296 20 10 DDCDMO COc1ccc(C[N@H+]2C[C@H](C)N(CCO)C[C@@H]2C)c(O)c1OC ZINC000894954967 711337083 /nfs/dbraw/zinc/33/70/83/711337083.db2.gz FCCCNRWMDBLUSE-STQMWFEESA-N 1 1 324.421 1.296 20 10 DDCDMO COc1ccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c(O)c1OC ZINC000895010490 711365662 /nfs/dbraw/zinc/36/56/62/711365662.db2.gz XRFCMASVRYZOKI-ZDUSSCGKSA-N 1 1 318.377 1.838 20 10 DDCDMO CC[N@@H+]1CCO[C@@H](CNC(=O)NCc2c(O)cccc2F)C1 ZINC000919125864 713583458 /nfs/dbraw/zinc/58/34/58/713583458.db2.gz BUYGFTJPQIPAEV-NSHDSACASA-N 1 1 311.357 1.051 20 10 DDCDMO CC[N@H+]1CCO[C@@H](CNC(=O)NCc2c(O)cccc2F)C1 ZINC000919125864 713583462 /nfs/dbraw/zinc/58/34/62/713583462.db2.gz BUYGFTJPQIPAEV-NSHDSACASA-N 1 1 311.357 1.051 20 10 DDCDMO C[C@H](CN1CCN(C)CC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921705820 713849192 /nfs/dbraw/zinc/84/91/92/713849192.db2.gz YTLDODVJEGEYGT-OAHLLOKOSA-N 1 1 303.450 1.737 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]Cc3cc[nH]c(=O)c3)cc2)CC1 ZINC000922332103 714022646 /nfs/dbraw/zinc/02/26/46/714022646.db2.gz CFPHMXADHMPCSW-UHFFFAOYSA-N 1 1 312.417 1.829 20 10 DDCDMO CCC[N@H+]1CC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000925360093 714829177 /nfs/dbraw/zinc/82/91/77/714829177.db2.gz UFAAGUYSWIMWOW-AWEZNQCLSA-N 1 1 317.389 1.641 20 10 DDCDMO CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)C[N@@H+](Cc2ccccc2O)C1 ZINC001203550212 751156139 /nfs/dbraw/zinc/15/61/39/751156139.db2.gz MLZXBIVHWBDEHY-KGLIPLIRSA-N 1 1 322.405 1.852 20 10 DDCDMO C[NH+](C)Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)o1 ZINC001137464982 766302145 /nfs/dbraw/zinc/30/21/45/766302145.db2.gz ZTGTVXFJHXEQPY-UHFFFAOYSA-N 1 1 304.346 1.725 20 10 DDCDMO CC[N@@H+]1CC[C@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC001136546501 772004843 /nfs/dbraw/zinc/00/48/43/772004843.db2.gz KPCJLZFNMABVQJ-KRWDZBQOSA-N 1 1 317.433 1.874 20 10 DDCDMO CC[N@H+]1CC[C@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC001136546501 772004848 /nfs/dbraw/zinc/00/48/48/772004848.db2.gz KPCJLZFNMABVQJ-KRWDZBQOSA-N 1 1 317.433 1.874 20 10 DDCDMO COCCCN1CCC([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1 ZINC001172242836 776730325 /nfs/dbraw/zinc/73/03/25/776730325.db2.gz HSCSMXDFPACBES-KRWDZBQOSA-N 1 1 324.421 1.222 20 10 DDCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2COC2)c1 ZINC001272622890 846421828 /nfs/dbraw/zinc/42/18/28/846421828.db2.gz UIACGNOQRQYQNC-HZPDHXFCSA-N 1 1 316.401 1.665 20 10 DDCDMO CCCCN1C(=O)COCC12C[NH+](Cc1ccc(O)cc1O)C2 ZINC001272983246 847739860 /nfs/dbraw/zinc/73/98/60/847739860.db2.gz RMXPFZBZMSLXCX-UHFFFAOYSA-N 1 1 320.389 1.311 20 10 DDCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@]12CCN(C1COC1)C2=O ZINC001274304335 852142870 /nfs/dbraw/zinc/14/28/70/852142870.db2.gz SJQQLBSREGVZOE-SFHVURJKSA-N 1 1 316.401 1.666 20 10 DDCDMO Oc1ccc(CN2C[C@@H]3OCC[N@@H+](C4CCCC4)[C@H]3C2)cc1O ZINC001275821128 853814196 /nfs/dbraw/zinc/81/41/96/853814196.db2.gz JIPFSVJTLUUWNE-YJBOKZPZSA-N 1 1 318.417 1.925 20 10 DDCDMO COCCOCN1CCC12C[NH+](Cc1ccc(N(C)C)cc1)C2 ZINC001275833194 853838390 /nfs/dbraw/zinc/83/83/90/853838390.db2.gz BIICDAJHDKKIBF-UHFFFAOYSA-N 1 1 319.449 1.633 20 10 DDCDMO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c([O-])cccc1F ZINC001276358820 855714752 /nfs/dbraw/zinc/71/47/52/855714752.db2.gz BMIXBVBWGKIMJT-OKILXGFUSA-N 1 1 307.413 1.742 20 10 DDCDMO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCN1C ZINC001139673794 860449462 /nfs/dbraw/zinc/44/94/62/860449462.db2.gz JVAPFHKMODBSOJ-MRXNPFEDSA-N 1 1 305.422 1.350 20 10 DDCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCN1C ZINC001139673794 860449466 /nfs/dbraw/zinc/44/94/66/860449466.db2.gz JVAPFHKMODBSOJ-MRXNPFEDSA-N 1 1 305.422 1.350 20 10 DDCDMO CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC001140063278 860568530 /nfs/dbraw/zinc/56/85/30/860568530.db2.gz PUBBNBAXTZUGIE-NVXWUHKLSA-N 1 1 322.380 1.743 20 10 DDCDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140285316 860612636 /nfs/dbraw/zinc/61/26/36/860612636.db2.gz INMVWBPKILXOKV-RDTXWAMCSA-N 1 1 304.434 1.993 20 10 DDCDMO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](NC(=O)CN(C)C)C2)c1O ZINC001140749720 860691660 /nfs/dbraw/zinc/69/16/60/860691660.db2.gz KOSSEOPACYXLGX-CQSZACIVSA-N 1 1 321.421 1.048 20 10 DDCDMO CN1CCOc2cc(C[N@H+]3CCC[C@]4(CNC(=O)O4)C3)ccc21 ZINC001141143667 860794008 /nfs/dbraw/zinc/79/40/08/860794008.db2.gz FJAWUTUMMPVIDK-KRWDZBQOSA-N 1 1 317.389 1.590 20 10 DDCDMO COC[C@H]1Cn2nccc2C[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141158821 860797878 /nfs/dbraw/zinc/79/78/78/860797878.db2.gz OGAJXJIATBXLHK-GFCCVEGCSA-N 1 1 303.362 1.573 20 10 DDCDMO Cc1cc[nH+]c(N2CCN(C(=O)Cc3ccc(N)cc3)CC2)c1 ZINC001160606333 865971980 /nfs/dbraw/zinc/97/19/80/865971980.db2.gz WAVAIOKMZDEPPQ-UHFFFAOYSA-N 1 1 310.401 1.864 20 10 DDCDMO CCOC(=O)c1c[nH+]ccc1NCCc1ccc(O)c(O)c1 ZINC001323997514 867000707 /nfs/dbraw/zinc/00/07/07/867000707.db2.gz ZYQBYMWNHKIHMR-UHFFFAOYSA-N 1 1 302.330 1.746 20 10 DDCDMO COc1ccc(N2CC[C@H](NC[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC001335458870 868314419 /nfs/dbraw/zinc/31/44/19/868314419.db2.gz DERVVVBPZOETIP-DOTOQJQBSA-N 1 1 319.449 1.320 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c1 ZINC001203671520 870702970 /nfs/dbraw/zinc/70/29/70/870702970.db2.gz QFPHVJUOBIBQNT-HOCLYGCPSA-N 1 1 316.401 1.701 20 10 DDCDMO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203878846 870813176 /nfs/dbraw/zinc/81/31/76/870813176.db2.gz VUJSDTPCAZYFIT-NVXWUHKLSA-N 1 1 321.373 1.642 20 10 DDCDMO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(N(C)C)cc2)O1 ZINC001203931072 870840609 /nfs/dbraw/zinc/84/06/09/870840609.db2.gz AYDMIZPDPKLIQZ-BRWVUGGUSA-N 1 1 317.433 1.573 20 10 DDCDMO COc1cc(Br)cc(C[NH+]2CC(CO)C2)c1O ZINC001204338281 871061076 /nfs/dbraw/zinc/06/10/76/871061076.db2.gz CHOSBRAYLNKHPU-UHFFFAOYSA-N 1 1 302.168 1.587 20 10 DDCDMO COCC[N@@H+](CCC(=O)OC)Cc1c(C)cc(OC)cc1O ZINC001308624302 871517243 /nfs/dbraw/zinc/51/72/43/871517243.db2.gz QHTKTXULUNQOIH-UHFFFAOYSA-N 1 1 311.378 1.721 20 10 DDCDMO CN1CCOc2cc(CN3CCCC[C@@](O)(C[NH3+])C3)ccc21 ZINC001205682797 871692581 /nfs/dbraw/zinc/69/25/81/871692581.db2.gz VNXHYPDWBJBBQP-QGZVFWFLSA-N 1 1 305.422 1.191 20 10 DDCDMO [NH3+]C[C@H]1CN(Cc2cccc(OC(F)(F)F)c2O)C[C@H]1O ZINC001206481698 872368394 /nfs/dbraw/zinc/36/83/94/872368394.db2.gz YWCGXEFFACLKQD-VHSXEESVSA-N 1 1 306.284 1.042 20 10 DDCDMO C[NH+]1CCN(c2ccc(CNc3cncnc3)cc2F)CC1 ZINC001345098057 873256403 /nfs/dbraw/zinc/25/64/03/873256403.db2.gz PZMGFZKTGFCCQJ-UHFFFAOYSA-N 1 1 301.369 1.980 20 10 DDCDMO CN(C)C(=O)CN1C[C@@H]2CC[N@H+](Cc3cccc(F)c3O)[C@@H]2C1 ZINC001276537721 873341561 /nfs/dbraw/zinc/34/15/61/873341561.db2.gz MDKRTBNYTFGTDK-SWLSCSKDSA-N 1 1 321.396 1.126 20 10 DDCDMO CN(C)C(=O)CN1C[C@@H]2CC[N@@H+](Cc3cccc(F)c3O)[C@@H]2C1 ZINC001276537721 873341575 /nfs/dbraw/zinc/34/15/75/873341575.db2.gz MDKRTBNYTFGTDK-SWLSCSKDSA-N 1 1 321.396 1.126 20 10 DDCDMO Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1 ZINC001347185452 874047725 /nfs/dbraw/zinc/04/77/25/874047725.db2.gz JRJCJYRYTBWCJY-UKRRQHHQSA-N 1 1 320.437 1.134 20 10 DDCDMO Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC001347185452 874047761 /nfs/dbraw/zinc/04/77/61/874047761.db2.gz JRJCJYRYTBWCJY-UKRRQHHQSA-N 1 1 320.437 1.134 20 10 DDCDMO Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)c1 ZINC001347185452 874047776 /nfs/dbraw/zinc/04/77/76/874047776.db2.gz JRJCJYRYTBWCJY-UKRRQHHQSA-N 1 1 320.437 1.134 20 10 DDCDMO O=C(N1CC=CC1)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(O)cc1O ZINC001277196327 882953567 /nfs/dbraw/zinc/95/35/67/882953567.db2.gz GFQQSVUZIHYUDF-DYVFJYSZSA-N 1 1 300.358 1.461 20 10 DDCDMO C[C@H](NC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2)c1ccccc1O ZINC001354535112 878050818 /nfs/dbraw/zinc/05/08/18/878050818.db2.gz BWHIJPHMSWJLTH-MNOVXSKESA-N 1 1 300.362 1.571 20 10 DDCDMO CCOc1ccc(CN2CC3(CN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001276815414 879186378 /nfs/dbraw/zinc/18/63/78/879186378.db2.gz TXIFSPVKISKQRR-UHFFFAOYSA-N 1 1 319.449 1.470 20 10 DDCDMO COc1cc(CN2CCNC[C@@]3(CCCC[NH2+]3)C2)cc(O)c1O ZINC001222669275 880635607 /nfs/dbraw/zinc/63/56/07/880635607.db2.gz UVLQFWPCZBEHEB-KRWDZBQOSA-N 1 1 321.421 1.024 20 10 DDCDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2O)Cc2ccnn21 ZINC001277440780 884290688 /nfs/dbraw/zinc/29/06/88/884290688.db2.gz DVTMQAWOYVXULK-HNNXBMFYSA-N 1 1 314.389 1.624 20 10 DDCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCCN(C(C)=O)CC1 ZINC001231849462 885905372 /nfs/dbraw/zinc/90/53/72/885905372.db2.gz UHQUSNCGUUTMHO-UHFFFAOYSA-N 1 1 305.422 1.815 20 10 DDCDMO CCOC(=O)C[C@H]1CCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483113 887014849 /nfs/dbraw/zinc/01/48/49/887014849.db2.gz OGBUISCWRNAKDH-LLVKDONJSA-N 1 1 309.362 1.969 20 10 DDCDMO O=C([C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1)N1CCCC1 ZINC001233485028 887018069 /nfs/dbraw/zinc/01/80/69/887018069.db2.gz GLVOUISGLJIUKN-GFCCVEGCSA-N 1 1 320.389 1.638 20 10 DDCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)cc1O ZINC001233487518 887021565 /nfs/dbraw/zinc/02/15/65/887021565.db2.gz HGHQWIZJNLKFIW-LLVKDONJSA-N 1 1 303.318 1.247 20 10 DDCDMO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(C(C)(C)C)cc1O ZINC001235674029 888873028 /nfs/dbraw/zinc/87/30/28/888873028.db2.gz CRWUJCGUYKWBSX-UHFFFAOYSA-N 1 1 320.433 1.980 20 10 DDCDMO C[C@]1(O)COCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237116554 889510446 /nfs/dbraw/zinc/51/04/46/889510446.db2.gz KFIFSYOELBKZLJ-CYBMUJFWSA-N 1 1 321.295 1.874 20 10 DDCDMO C[C@]1(O)COCC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237116554 889510460 /nfs/dbraw/zinc/51/04/60/889510460.db2.gz KFIFSYOELBKZLJ-CYBMUJFWSA-N 1 1 321.295 1.874 20 10 DDCDMO CCOC[C@@H]1C[N@H+](Cc2c(C)cccc2O)Cc2nnn(C)c21 ZINC001237488830 889666761 /nfs/dbraw/zinc/66/67/61/889666761.db2.gz RSGFGZDYQJHYSV-ZDUSSCGKSA-N 1 1 316.405 1.965 20 10 DDCDMO CCOC[C@@H]1C[N@@H+](Cc2c(C)cccc2O)Cc2nnn(C)c21 ZINC001237488830 889666762 /nfs/dbraw/zinc/66/67/62/889666762.db2.gz RSGFGZDYQJHYSV-ZDUSSCGKSA-N 1 1 316.405 1.965 20 10 DDCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)CN1CCOCC1 ZINC001251025267 894571558 /nfs/dbraw/zinc/57/15/58/894571558.db2.gz VOEPYFADXDNFHW-GOSISDBHSA-N 1 1 321.465 1.268 20 10 DDCDMO CCOC[C@H](O)C[N@@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001252030264 894966068 /nfs/dbraw/zinc/96/60/68/894966068.db2.gz ICGUMBYJNQRQQL-CYBMUJFWSA-N 1 1 318.417 1.942 20 10 DDCDMO CCOC[C@H](O)C[N@H+]1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001252030264 894966071 /nfs/dbraw/zinc/96/60/71/894966071.db2.gz ICGUMBYJNQRQQL-CYBMUJFWSA-N 1 1 318.417 1.942 20 10 DDCDMO CCCN(CCC)c1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000092735642 185337352 /nfs/dbraw/zinc/33/73/52/185337352.db2.gz RZPOGXHPLODLPH-QGZVFWFLSA-N 1 1 319.449 1.999 20 10 DDCDMO CCCN(CCC)c1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000092735642 185337353 /nfs/dbraw/zinc/33/73/53/185337353.db2.gz RZPOGXHPLODLPH-QGZVFWFLSA-N 1 1 319.449 1.999 20 10 DDCDMO COc1ccc(N2CCC[N@H+](CCS(C)(=O)=O)CC2)cc1 ZINC000052464998 352611567 /nfs/dbraw/zinc/61/15/67/352611567.db2.gz RKLPDCWBZWYGJR-UHFFFAOYSA-N 1 1 312.435 1.252 20 10 DDCDMO COc1ccc(N2CCC[N@@H+](CCS(C)(=O)=O)CC2)cc1 ZINC000052464998 352611569 /nfs/dbraw/zinc/61/15/69/352611569.db2.gz RKLPDCWBZWYGJR-UHFFFAOYSA-N 1 1 312.435 1.252 20 10 DDCDMO C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000272625699 130047810 /nfs/dbraw/zinc/04/78/10/130047810.db2.gz VJQKHNVUWCGPRI-HIFRSBDPSA-N 1 1 305.422 1.072 20 10 DDCDMO Cc1ccc(C(=O)NCc2c[nH+]c(N(C)C)n2C)c(O)c1O ZINC000272709666 130056300 /nfs/dbraw/zinc/05/63/00/130056300.db2.gz DNHWAXDUCPXWQH-UHFFFAOYSA-N 1 1 304.350 1.136 20 10 DDCDMO COc1cccc(C[NH2+][C@H](C)CCN2CCN(C)CC2)c1O ZINC000185868054 407524091 /nfs/dbraw/zinc/52/40/91/407524091.db2.gz BRHVPGCIAQDXHT-CQSZACIVSA-N 1 1 307.438 1.516 20 10 DDCDMO CC[N@@H+](CC(=O)N1CCOc2cc(N(C)C)ccc21)C1CC1 ZINC000153162519 407767300 /nfs/dbraw/zinc/76/73/00/407767300.db2.gz HCBFGXUDLIZXBC-UHFFFAOYSA-N 1 1 303.406 1.962 20 10 DDCDMO C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000121979085 408247330 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COc1cccc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000367472466 418604884 /nfs/dbraw/zinc/60/48/84/418604884.db2.gz MKZZUMQSIZLKSZ-INIZCTEOSA-N 1 1 319.449 1.613 20 10 DDCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000377697782 418712686 /nfs/dbraw/zinc/71/26/86/418712686.db2.gz JAEJYKAWMIRHSN-ZDUSSCGKSA-N 1 1 313.423 1.055 20 10 DDCDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377847326 418715962 /nfs/dbraw/zinc/71/59/62/418715962.db2.gz LOJZURDXGUCFJC-HNNXBMFYSA-N 1 1 303.406 1.221 20 10 DDCDMO COc1cccc(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)c1O ZINC000376724894 418700307 /nfs/dbraw/zinc/70/03/07/418700307.db2.gz VEASKVKHDPOPTO-CQSZACIVSA-N 1 1 308.378 1.126 20 10 DDCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCN(C2CCOCC2)C1=O ZINC000370045842 418740648 /nfs/dbraw/zinc/74/06/48/418740648.db2.gz HDIKYSQPUVMYTH-HNNXBMFYSA-N 1 1 304.390 1.604 20 10 DDCDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccccc3O)C2)nn1 ZINC000363907282 418771139 /nfs/dbraw/zinc/77/11/39/418771139.db2.gz 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536699011 /nfs/dbraw/zinc/69/90/11/536699011.db2.gz DNSCSLDLCFLISG-UHFFFAOYSA-N 1 1 313.405 1.719 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1 ZINC000280978956 536792849 /nfs/dbraw/zinc/79/28/49/536792849.db2.gz VZHYBQPETDYTMH-UBHSHLNASA-N 1 1 323.389 1.474 20 10 DDCDMO COC(=O)C[N@H+](Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000093287113 696600265 /nfs/dbraw/zinc/60/02/65/696600265.db2.gz MRGGWTWDZFIFAD-UHFFFAOYSA-N 1 1 306.406 1.907 20 10 DDCDMO COC(=O)C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000093287113 696600268 /nfs/dbraw/zinc/60/02/68/696600268.db2.gz MRGGWTWDZFIFAD-UHFFFAOYSA-N 1 1 306.406 1.907 20 10 DDCDMO CNC(=O)CCC[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093717742 696601432 /nfs/dbraw/zinc/60/14/32/696601432.db2.gz FDIOIVQFJDONOX-UHFFFAOYSA-N 1 1 323.412 1.620 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000775025159 697955776 /nfs/dbraw/zinc/95/57/76/697955776.db2.gz UBCSSAYDKMAIFQ-GXSJLCMTSA-N 1 1 323.349 1.443 20 10 DDCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775650665 698018955 /nfs/dbraw/zinc/01/89/55/698018955.db2.gz TVFDFYDPGIVDRC-MRXNPFEDSA-N 1 1 317.433 1.433 20 10 DDCDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775650665 698018958 /nfs/dbraw/zinc/01/89/58/698018958.db2.gz TVFDFYDPGIVDRC-MRXNPFEDSA-N 1 1 317.433 1.433 20 10 DDCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775650665 698018961 /nfs/dbraw/zinc/01/89/61/698018961.db2.gz TVFDFYDPGIVDRC-MRXNPFEDSA-N 1 1 317.433 1.433 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+]1CCc3ncsc3C1)[C@H](O)CO2 ZINC000783544297 698849953 /nfs/dbraw/zinc/84/99/53/698849953.db2.gz XONPTFGWNQGQKZ-CYBMUJFWSA-N 1 1 304.371 1.833 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCc3ncsc3C1)[C@H](O)CO2 ZINC000783544297 698849957 /nfs/dbraw/zinc/84/99/57/698849957.db2.gz XONPTFGWNQGQKZ-CYBMUJFWSA-N 1 1 304.371 1.833 20 10 DDCDMO NC(=O)N[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707163385 699245874 /nfs/dbraw/zinc/24/58/74/699245874.db2.gz IVDMHSNFIPHKOX-QMMMGPOBSA-N 1 1 314.183 1.397 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]CCOCC(F)F)cc2)CC1 ZINC000788072453 699274115 /nfs/dbraw/zinc/27/41/15/699274115.db2.gz AYAJLRIWVZNFTA-UHFFFAOYSA-N 1 1 313.392 1.810 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)[C@H](O)CO2 ZINC000789506625 699391137 /nfs/dbraw/zinc/39/11/37/699391137.db2.gz NDWDOSCHXBIMCF-FVQBIDKESA-N 1 1 305.374 1.961 20 10 DDCDMO O=C1CNC(=O)N1CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000732204353 699550076 /nfs/dbraw/zinc/55/00/76/699550076.db2.gz JKAPQHJZJAYOEZ-UHFFFAOYSA-N 1 1 317.389 1.689 20 10 DDCDMO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000734272662 699645199 /nfs/dbraw/zinc/64/51/99/699645199.db2.gz NQRNFKYVQNTEGN-CYBMUJFWSA-N 1 1 320.412 1.928 20 10 DDCDMO Cc1cc(C)c(O)c(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000793587734 699766113 /nfs/dbraw/zinc/76/61/13/699766113.db2.gz JLUPMAMPVRZOSV-AWEZNQCLSA-N 1 1 312.435 1.475 20 10 DDCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)C(=O)NC(=O)NC)cc1 ZINC000741678785 699847452 /nfs/dbraw/zinc/84/74/52/699847452.db2.gz YWHJNBOMYSONBC-CYBMUJFWSA-N 1 1 320.437 1.809 20 10 DDCDMO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000763380226 700936246 /nfs/dbraw/zinc/93/62/46/700936246.db2.gz HJOPZSFKPHXLPF-CYBMUJFWSA-N 1 1 313.419 1.718 20 10 DDCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000763380226 700936247 /nfs/dbraw/zinc/93/62/47/700936247.db2.gz HJOPZSFKPHXLPF-CYBMUJFWSA-N 1 1 313.419 1.718 20 10 DDCDMO COCC[N@@H+](CCC(=O)OC)Cc1cc2c(cc1O)OCO2 ZINC000769422897 701244414 /nfs/dbraw/zinc/24/44/14/701244414.db2.gz MCXJHXYGVRDCEM-UHFFFAOYSA-N 1 1 311.334 1.132 20 10 DDCDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)c1 ZINC000769468207 701246116 /nfs/dbraw/zinc/24/61/16/701246116.db2.gz CSESGVLETRUKJJ-GFCCVEGCSA-N 1 1 313.419 1.657 20 10 DDCDMO COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868284437 702042050 /nfs/dbraw/zinc/04/20/50/702042050.db2.gz BYTCCIJPJIKISQ-QWHCGFSZSA-N 1 1 307.394 1.473 20 10 DDCDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816503129 702099620 /nfs/dbraw/zinc/09/96/20/702099620.db2.gz HFLJSQHMTPZQRB-HNNXBMFYSA-N 1 1 301.342 1.919 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816503129 702099629 /nfs/dbraw/zinc/09/96/29/702099629.db2.gz HFLJSQHMTPZQRB-HNNXBMFYSA-N 1 1 301.342 1.919 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000816641641 702133659 /nfs/dbraw/zinc/13/36/59/702133659.db2.gz AGDOHPDWJRJHIZ-AWEZNQCLSA-N 1 1 318.377 1.322 20 10 DDCDMO OCc1cn([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000816641916 702133954 /nfs/dbraw/zinc/13/39/54/702133954.db2.gz JWYIKJLBIOPSSP-CQSZACIVSA-N 1 1 322.796 1.967 20 10 DDCDMO COCC(COC)N1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000840954004 702292650 /nfs/dbraw/zinc/29/26/50/702292650.db2.gz FKBJMRUETUMMHG-UHFFFAOYSA-N 1 1 324.421 1.180 20 10 DDCDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(N)cc3)CC[C@@H]21 ZINC000841071593 702335811 /nfs/dbraw/zinc/33/58/11/702335811.db2.gz 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703825761 /nfs/dbraw/zinc/82/57/61/703825761.db2.gz VUZLYPZQUFXAES-HNNXBMFYSA-N 1 1 304.438 1.983 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+](C)CC2=CCCOC2)cc1 ZINC000852518545 704067018 /nfs/dbraw/zinc/06/70/18/704067018.db2.gz JLOFOPFFQLUMSG-UHFFFAOYSA-N 1 1 317.433 1.647 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)CC2=CCCOC2)cc1 ZINC000852518545 704067019 /nfs/dbraw/zinc/06/70/19/704067019.db2.gz JLOFOPFFQLUMSG-UHFFFAOYSA-N 1 1 317.433 1.647 20 10 DDCDMO CN(C)c1ccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000852708333 704103521 /nfs/dbraw/zinc/10/35/21/704103521.db2.gz XOICVOXPOJVZSU-GOSISDBHSA-N 1 1 303.450 1.784 20 10 DDCDMO C[C@]1(C2CC2)C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000853529168 704260539 /nfs/dbraw/zinc/26/05/39/704260539.db2.gz QQAYVBUSLCWSNZ-DOTOQJQBSA-N 1 1 305.374 1.819 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1OC ZINC000853557475 704268795 /nfs/dbraw/zinc/26/87/95/704268795.db2.gz LRPKBCGFRHUBMM-AAEUAGOBSA-N 1 1 320.389 1.510 20 10 DDCDMO 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288167569 /nfs/dbraw/zinc/16/75/69/288167569.db2.gz HXPMVPBRHIYXSJ-MLGOLLRUSA-N 1 1 303.362 1.469 20 10 DDCDMO COc1cc(O)c(C[N@@H+](C)[C@@H](C)C[S@](C)=O)cc1OC ZINC000131133681 522772700 /nfs/dbraw/zinc/77/27/00/522772700.db2.gz FERJCPOUBMIKSB-WVDJIFEKSA-N 1 1 301.408 1.608 20 10 DDCDMO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000180687962 527613792 /nfs/dbraw/zinc/61/37/92/527613792.db2.gz HUPHLNLKLMRTBW-NHEDYWLLSA-N 1 1 302.374 1.712 20 10 DDCDMO COc1ccc(N2CCN(C(=O)C[N@@H+](C)CC3CC3)CC2)cc1 ZINC000052106341 696252059 /nfs/dbraw/zinc/25/20/59/696252059.db2.gz IWBJJPSVWCCGJE-UHFFFAOYSA-N 1 1 317.433 1.686 20 10 DDCDMO CC[NH+]1CCC(NC(=O)CN(C)Cc2ccccc2O)CC1 ZINC000109770727 696638322 /nfs/dbraw/zinc/63/83/22/696638322.db2.gz RYBOYRHKFIUMOX-UHFFFAOYSA-N 1 1 305.422 1.425 20 10 DDCDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000159581077 697310839 /nfs/dbraw/zinc/31/08/39/697310839.db2.gz YSKGXPSUWCHWDF-GDBMZVCRSA-N 1 1 317.433 1.609 20 10 DDCDMO 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LZCOJRCMLVPECK-AWEZNQCLSA-N 1 1 305.422 1.652 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCCC[C@H]2CC(N)=O)cc1OC ZINC000775663526 698020550 /nfs/dbraw/zinc/02/05/50/698020550.db2.gz DMNSZGPOQNTGRH-LBPRGKRZSA-N 1 1 308.378 1.639 20 10 DDCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)CC(N)=O)c1 ZINC000781918857 698661549 /nfs/dbraw/zinc/66/15/49/698661549.db2.gz UPEVPOBRHABWPQ-QMMMGPOBSA-N 1 1 301.184 1.817 20 10 DDCDMO COc1ccc(N2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000726627082 699371405 /nfs/dbraw/zinc/37/14/05/699371405.db2.gz DMIAPNQZCGKIIA-QGZVFWFLSA-N 1 1 317.433 1.874 20 10 DDCDMO CCCN(Cc1ccccc1O)C(=O)CC[NH+]1CCOCC1 ZINC000727170695 699402271 /nfs/dbraw/zinc/40/22/71/699402271.db2.gz VKWRZKFOZLMBFH-UHFFFAOYSA-N 1 1 306.406 1.853 20 10 DDCDMO C[N@@H+](CC(=O)N1CCOCC1)Cc1c(O)ccc2ccncc21 ZINC000732179018 699548856 /nfs/dbraw/zinc/54/88/56/699548856.db2.gz LLFKNMXPRSLKDJ-UHFFFAOYSA-N 1 1 315.373 1.231 20 10 DDCDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(F)cc(C(C)=O)c3O)C[C@@H]21 ZINC000794953045 699837703 /nfs/dbraw/zinc/83/77/03/699837703.db2.gz NUJIMHWOZRCFAW-WDNDVIMCSA-N 1 1 307.321 1.585 20 10 DDCDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(F)cc(C(C)=O)c3O)C[C@@H]21 ZINC000794953045 699837704 /nfs/dbraw/zinc/83/77/04/699837704.db2.gz NUJIMHWOZRCFAW-WDNDVIMCSA-N 1 1 307.321 1.585 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2COC(C)(C)OC2)c1 ZINC000757697310 700669019 /nfs/dbraw/zinc/66/90/19/700669019.db2.gz ILEUFFYVIUXCOG-JTQLQIEISA-N 1 1 309.362 1.981 20 10 DDCDMO C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000761069969 700838681 /nfs/dbraw/zinc/83/86/81/700838681.db2.gz LNGLXBMIKZPZQC-CQSZACIVSA-N 1 1 304.438 1.005 20 10 DDCDMO CC[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC000761124543 700845491 /nfs/dbraw/zinc/84/54/91/700845491.db2.gz NFAHOLVLMGJRSM-DOTOQJQBSA-N 1 1 319.449 1.414 20 10 DDCDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1cc2c(cc1O)OCO2 ZINC000763629348 700942584 /nfs/dbraw/zinc/94/25/84/700942584.db2.gz WOPLPUXLXLFGKP-UHFFFAOYSA-N 1 1 320.389 1.859 20 10 DDCDMO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H](O)C1CC1 ZINC000809750905 701685820 /nfs/dbraw/zinc/68/58/20/701685820.db2.gz BDVFOCZGMXXZTO-KRWDZBQOSA-N 1 1 308.397 1.865 20 10 DDCDMO COc1cc(O)c(C[N@@H+](C)[C@H](CO)COC(C)C)cc1OC ZINC000809768127 701688338 /nfs/dbraw/zinc/68/83/38/701688338.db2.gz CPBRMBZFKFCUSE-CYBMUJFWSA-N 1 1 313.394 1.627 20 10 DDCDMO CCOCC[NH+]1CCN(Cc2ccc(OCC)cc2O)CC1 ZINC000768243200 701165157 /nfs/dbraw/zinc/16/51/57/701165157.db2.gz JKBSHNNISDXALX-UHFFFAOYSA-N 1 1 308.422 1.945 20 10 DDCDMO C[N@H+](CC(=O)NC(C)(C)C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768442076 701176932 /nfs/dbraw/zinc/17/69/32/701176932.db2.gz OIYRHNIOJFPNEE-CYBMUJFWSA-N 1 1 308.378 1.165 20 10 DDCDMO C[N@@H+](CC(=O)NC(C)(C)C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768442076 701176934 /nfs/dbraw/zinc/17/69/34/701176934.db2.gz OIYRHNIOJFPNEE-CYBMUJFWSA-N 1 1 308.378 1.165 20 10 DDCDMO CCn1nc2c(cc1=O)C[N@H+](Cc1c(O)cccc1OC)CC2 ZINC000769512547 701247994 /nfs/dbraw/zinc/24/79/94/701247994.db2.gz IDOJIYKDHPGVSP-UHFFFAOYSA-N 1 1 315.373 1.536 20 10 DDCDMO COC(=O)[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1O)C(C)C ZINC000809961060 701706208 /nfs/dbraw/zinc/70/62/08/701706208.db2.gz MEWJYGJNYXPXAS-HNNXBMFYSA-N 1 1 308.378 1.138 20 10 DDCDMO C[C@H]1COCCN1CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816562982 702113396 /nfs/dbraw/zinc/11/33/96/702113396.db2.gz GCQJSEVRJRJZEK-JTQLQIEISA-N 1 1 302.777 1.995 20 10 DDCDMO O=C(CNCc1cc(F)ccc1O)NCC[NH+]1CCCCCC1 ZINC000816620299 702128254 /nfs/dbraw/zinc/12/82/54/702128254.db2.gz PZZXIVSQDBBYCO-UHFFFAOYSA-N 1 1 323.412 1.613 20 10 DDCDMO COc1c(O)c(C[NH2+][C@H]2CCC[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000840977451 702300583 /nfs/dbraw/zinc/30/05/83/702300583.db2.gz HWOMWCHNXCIGBH-PWSUYJOCSA-N 1 1 310.350 1.950 20 10 DDCDMO C[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000817278468 702325722 /nfs/dbraw/zinc/32/57/22/702325722.db2.gz WOOKSIGJAWPCPU-GDBMZVCRSA-N 1 1 319.449 1.319 20 10 DDCDMO COc1c([O-])c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841100106 702345549 /nfs/dbraw/zinc/34/55/49/702345549.db2.gz UVODBEPOLUEUPC-CMPLNLGQSA-N 1 1 309.366 1.726 20 10 DDCDMO COc1c(O)c(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000817412350 702372643 /nfs/dbraw/zinc/37/26/43/702372643.db2.gz IZNPMWYBSCAHCS-QWRGUYRKSA-N 1 1 310.350 1.759 20 10 DDCDMO COc1c(O)c(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000817412350 702372650 /nfs/dbraw/zinc/37/26/50/702372650.db2.gz IZNPMWYBSCAHCS-QWRGUYRKSA-N 1 1 310.350 1.759 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)c1 ZINC000843433773 702881013 /nfs/dbraw/zinc/88/10/13/702881013.db2.gz COKIDVYKNNDNNI-STQMWFEESA-N 1 1 309.362 1.147 20 10 DDCDMO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CSC[NH2+]3)C2)cc1 ZINC000843506664 702896908 /nfs/dbraw/zinc/89/69/08/702896908.db2.gz NAVRZPCGIZORBF-WFASDCNBSA-N 1 1 321.446 1.300 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c(O)cc1C ZINC000853525004 704259675 /nfs/dbraw/zinc/25/96/75/704259675.db2.gz PONVAZNHMNVUBY-ZDUSSCGKSA-N 1 1 302.378 1.823 20 10 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[O-]c1c(F)cc(F)cc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000882916283 707848453 /nfs/dbraw/zinc/84/84/53/707848453.db2.gz LPLPMNGMRPUNGA-UHFFFAOYSA-N 1 1 300.349 1.607 20 10 DDCDMO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(C)cc(Br)c1O ZINC000839192044 708034559 /nfs/dbraw/zinc/03/45/59/708034559.db2.gz HBZCPZYDPHJVAN-NWDGAFQWSA-N 1 1 316.195 1.967 20 10 DDCDMO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1c(O)cccc1F ZINC000886532039 708774286 /nfs/dbraw/zinc/77/42/86/708774286.db2.gz CASLDOPPLYVKCW-JTQLQIEISA-N 1 1 317.382 1.122 20 10 DDCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900399321 709577786 /nfs/dbraw/zinc/57/77/86/709577786.db2.gz DEKADZQJWBIAQD-WMZOPIPTSA-N 1 1 319.449 1.556 20 10 DDCDMO COc1ccc(C[N@H+]2CCC[C@@H](OCCO)C2)c(O)c1OC ZINC000892003463 710350896 /nfs/dbraw/zinc/35/08/96/710350896.db2.gz ISGRELAMLZSYBX-CYBMUJFWSA-N 1 1 311.378 1.383 20 10 DDCDMO COC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@H](C)O1 ZINC000893901624 710880298 /nfs/dbraw/zinc/88/02/98/710880298.db2.gz 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CN(Cc1ccccc1O)c1nnc([C@@H]2CCC[N@H+]2C)n1C ZINC001121283889 782439989 /nfs/dbraw/zinc/43/99/89/782439989.db2.gz KSUBHODDJHMADP-ZDUSSCGKSA-N 1 1 301.394 1.924 20 10 DDCDMO C[NH+]1CCC(C[NH+]2CCN(Cc3cccc(F)c3[O-])CC2)CC1 ZINC001138131326 749898513 /nfs/dbraw/zinc/89/85/13/749898513.db2.gz WKLIPWXDAXLVJH-UHFFFAOYSA-N 1 1 321.440 1.991 20 10 DDCDMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253581 753896324 /nfs/dbraw/zinc/89/63/24/753896324.db2.gz HUUWXCRFYJQJPL-CHWSQXEVSA-N 1 1 319.365 1.034 20 10 DDCDMO COc1cc(O)c(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1OC ZINC000826889009 759417293 /nfs/dbraw/zinc/41/72/93/759417293.db2.gz PCMUCIWYYFNQJY-GXSJLCMTSA-N 1 1 304.350 1.797 20 10 DDCDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc2cccnc2c1O ZINC000828635769 759715081 /nfs/dbraw/zinc/71/50/81/759715081.db2.gz KGBNDAKSHGQMBI-GUYCJALGSA-N 1 1 315.373 1.012 20 10 DDCDMO Oc1cc(O)c(C[N@H+]2CCC[C@H](Oc3ncccn3)C2)c(O)c1 ZINC001144516410 772558634 /nfs/dbraw/zinc/55/86/34/772558634.db2.gz 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CCN(CC)c1ccc(C[NH+]2CCN(C(=O)NC)CC2)c(O)c1 ZINC001140857613 860713447 /nfs/dbraw/zinc/71/34/47/860713447.db2.gz SZRJZGQUOIJFCB-UHFFFAOYSA-N 1 1 320.437 1.695 20 10 DDCDMO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145584 860795447 /nfs/dbraw/zinc/79/54/47/860795447.db2.gz WOCHPKQOWBZWDC-HNNXBMFYSA-N 1 1 303.406 1.568 20 10 DDCDMO CC(=O)N1CCC2(CC1)C[N@H+](Cc1cc(O)ccc1O)CCO2 ZINC001141160270 860798995 /nfs/dbraw/zinc/79/89/95/860798995.db2.gz SYUBBEULRQSLHP-UHFFFAOYSA-N 1 1 320.389 1.311 20 10 DDCDMO CC(=O)N1CCC2(CC1)C[N@@H+](Cc1cc(O)ccc1O)CCO2 ZINC001141160270 860799000 /nfs/dbraw/zinc/79/90/00/860799000.db2.gz SYUBBEULRQSLHP-UHFFFAOYSA-N 1 1 320.389 1.311 20 10 DDCDMO N[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC001206669066 865245553 /nfs/dbraw/zinc/24/55/53/865245553.db2.gz ZHBJFOBITGKRQJ-OAHLLOKOSA-N 1 1 311.376 1.692 20 10 DDCDMO COc1ccc(O)c(CN2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001203674867 870706463 /nfs/dbraw/zinc/70/64/63/870706463.db2.gz DOIKOCFOCDJTCT-CALCHBBNSA-N 1 1 318.417 1.696 20 10 DDCDMO Cc1cncnc1O[C@H]1CC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203884083 870817877 /nfs/dbraw/zinc/81/78/77/870817877.db2.gz RGUPAZMTSULSGP-ZDUSSCGKSA-N 1 1 301.346 1.850 20 10 DDCDMO CN(C)c1ccc(CN2CCC(=O)N(CC[NH+](C)C)CC2)cc1 ZINC001203937917 870844599 /nfs/dbraw/zinc/84/45/99/870844599.db2.gz ZHLZTFHXKHBBOU-UHFFFAOYSA-N 1 1 318.465 1.349 20 10 DDCDMO COc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c([O-])c1Cl ZINC001205248907 871459350 /nfs/dbraw/zinc/45/93/50/871459350.db2.gz SVHDANQONLCRFM-HNNXBMFYSA-N 1 1 314.813 1.730 20 10 DDCDMO CCOc1ccc(N2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1 ZINC001319495924 872661421 /nfs/dbraw/zinc/66/14/21/872661421.db2.gz CIBDHCMSMSJQOR-MRXNPFEDSA-N 1 1 303.406 1.438 20 10 DDCDMO CN1CCCc2cc(CN3[C@H]4COC[C@@H]3C[N@@H+](C)C4)ccc21 ZINC001276578547 874386540 /nfs/dbraw/zinc/38/65/40/874386540.db2.gz NAPOKLPXHLQMPB-CALCHBBNSA-N 1 1 301.434 1.584 20 10 DDCDMO CCOc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC001350588618 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/nfs/dbraw/zinc/03/51/43/712035143.db2.gz MJLRVQGPBVXMGO-KRWDZBQOSA-N 1 1 321.465 1.050 20 10 DDCDMO O[C@@H]1CC[C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)[C@@H]12 ZINC000931333005 714069545 /nfs/dbraw/zinc/06/95/45/714069545.db2.gz QCXGHIJUKBPMSM-CGTJXYLNSA-N 1 1 302.418 1.868 20 10 DDCDMO CC[N@@H+](CCN1C(=O)CN(Cc2ccccc2O)C1=O)C(C)C ZINC000925296707 714797997 /nfs/dbraw/zinc/79/79/97/714797997.db2.gz RRILURHHSGMIIZ-UHFFFAOYSA-N 1 1 319.405 1.887 20 10 DDCDMO COCC[N@@H+](Cc1cc(O)ccc1O)C1CCN(C(C)=O)CC1 ZINC001141158778 737490591 /nfs/dbraw/zinc/49/05/91/737490591.db2.gz NAJSLLVOGBPLNV-UHFFFAOYSA-N 1 1 322.405 1.557 20 10 DDCDMO CC1=NC2(CC[NH+](Cc3cc(F)c(F)cc3O)CC2)C(=O)N1C ZINC001142530400 742147752 /nfs/dbraw/zinc/14/77/52/742147752.db2.gz HCJXEAQSMLLNJX-UHFFFAOYSA-N 1 1 323.343 1.895 20 10 DDCDMO CC[N@H+]1CCO[C@@H]2CN(Cc3cc(O)c(O)c(OC)c3)C[C@@H]2C1 ZINC001204343029 743636802 /nfs/dbraw/zinc/63/68/02/743636802.db2.gz OQYSWOYPKALDIY-XJKSGUPXSA-N 1 1 322.405 1.259 20 10 DDCDMO Cc1ccc2c(n1)N(C)CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509407 772557240 /nfs/dbraw/zinc/55/72/40/772557240.db2.gz AULFZWASPXBFSM-UHFFFAOYSA-N 1 1 315.373 1.959 20 10 DDCDMO Oc1cc(O)c(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c(O)c1 ZINC001144515572 772558476 /nfs/dbraw/zinc/55/84/76/772558476.db2.gz QTBXVKYOLLALEW-ZDUSSCGKSA-N 1 1 302.330 1.852 20 10 DDCDMO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001120371383 781901655 /nfs/dbraw/zinc/90/16/55/781901655.db2.gz XGRPRLNKMGEUOK-CQSZACIVSA-N 1 1 304.438 1.301 20 10 DDCDMO O=C(Cc1ccc(O)c(O)c1)N1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001270580673 842687589 /nfs/dbraw/zinc/68/75/89/842687589.db2.gz WJHOAXGTKMIROT-UHFFFAOYSA-N 1 1 316.401 1.870 20 10 DDCDMO Cc1ccc(C[N@H+]2CC[C@]3(CCN(C4COC4)C3=O)C2)c(O)c1 ZINC001272766625 847399561 /nfs/dbraw/zinc/39/95/61/847399561.db2.gz SDZLFQBDFQLHIK-SFHVURJKSA-N 1 1 316.401 1.524 20 10 DDCDMO CC[C@@H](C)N1C(=O)COCC12C[NH+](Cc1ccc(O)cc1O)C2 ZINC001272983414 847743074 /nfs/dbraw/zinc/74/30/74/847743074.db2.gz VHYOLZVOJCCPNF-GFCCVEGCSA-N 1 1 320.389 1.310 20 10 DDCDMO CN1C[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3O)C2)OCC1=O ZINC001273164512 848612707 /nfs/dbraw/zinc/61/27/07/848612707.db2.gz WZQKHZLNSCDFDL-OAHLLOKOSA-N 1 1 310.781 1.479 20 10 DDCDMO O=C1N(C2COC2)CC[C@]12CC[N@@H+](Cc1cccc(F)c1O)C2 ZINC001273303737 849372131 /nfs/dbraw/zinc/37/21/31/849372131.db2.gz FANDNBCFGKVNOR-KRWDZBQOSA-N 1 1 320.364 1.355 20 10 DDCDMO O=C1N(C2COC2)CC[C@]12CC[N@H+](Cc1cccc(F)c1O)C2 ZINC001273303737 849372139 /nfs/dbraw/zinc/37/21/39/849372139.db2.gz FANDNBCFGKVNOR-KRWDZBQOSA-N 1 1 320.364 1.355 20 10 DDCDMO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C ZINC001276367442 856254011 /nfs/dbraw/zinc/25/40/11/856254011.db2.gz DATBDUPMODAYGF-IYBDPMFKSA-N 1 1 305.422 1.276 20 10 DDCDMO COc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2COC[C@H](C1)N2C ZINC001276367442 856254022 /nfs/dbraw/zinc/25/40/22/856254022.db2.gz DATBDUPMODAYGF-IYBDPMFKSA-N 1 1 305.422 1.276 20 10 DDCDMO C[C@H]1C[N@@H+](CCCNC(=O)Cc2ccc(O)c(O)c2)CCCO1 ZINC001138194948 860040456 /nfs/dbraw/zinc/04/04/56/860040456.db2.gz GXFSPMPXEOSEIK-ZDUSSCGKSA-N 1 1 322.405 1.257 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c(OC)c1 ZINC001138385992 860082779 /nfs/dbraw/zinc/08/27/79/860082779.db2.gz DMKKHLZFQGSGNP-DOTOQJQBSA-N 1 1 322.449 1.717 20 10 DDCDMO CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140288910 860612992 /nfs/dbraw/zinc/61/29/92/860612992.db2.gz ZFIAMPFFHITPKC-ROUUACIJSA-N 1 1 315.461 1.926 20 10 DDCDMO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140288910 860613000 /nfs/dbraw/zinc/61/30/00/860613000.db2.gz ZFIAMPFFHITPKC-ROUUACIJSA-N 1 1 315.461 1.926 20 10 DDCDMO CCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140288910 860613006 /nfs/dbraw/zinc/61/30/06/860613006.db2.gz ZFIAMPFFHITPKC-ROUUACIJSA-N 1 1 315.461 1.926 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001140850093 860712191 /nfs/dbraw/zinc/71/21/91/860712191.db2.gz DERAXCDYSQWNKK-HOCLYGCPSA-N 1 1 308.422 1.414 20 10 DDCDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141156293 860796551 /nfs/dbraw/zinc/79/65/51/860796551.db2.gz JBYCBDWPYMIVCA-QWHCGFSZSA-N 1 1 312.369 1.879 20 10 DDCDMO COc1ccc(N2CC[N@@H+](C)C[C@@]3(CCCC(=O)N3)C2)c(C)c1 ZINC001277019040 881678490 /nfs/dbraw/zinc/67/84/90/881678490.db2.gz TYPBNGCOWJXSQX-SFHVURJKSA-N 1 1 317.433 1.794 20 10 DDCDMO Oc1cc(O)c(CCNc2nc(NC3CC3)cc[nH+]2)cc1O ZINC001157240002 863675000 /nfs/dbraw/zinc/67/50/00/863675000.db2.gz ONOBANSGJAJTOV-UHFFFAOYSA-N 1 1 302.334 1.822 20 10 DDCDMO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001330961175 864739365 /nfs/dbraw/zinc/73/93/65/864739365.db2.gz PDCZTERVEXHTHY-ZIAGYGMSSA-N 1 1 304.438 1.038 20 10 DDCDMO C[NH+](C)Cc1ccnc(NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001159280338 865198170 /nfs/dbraw/zinc/19/81/70/865198170.db2.gz LRTXPQJTMPRXSJ-UHFFFAOYSA-N 1 1 301.346 1.849 20 10 DDCDMO CC[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)[O-] ZINC001331965682 865466488 /nfs/dbraw/zinc/46/64/88/865466488.db2.gz KWTYIOIETVMWIP-AWEZNQCLSA-N 1 1 323.412 1.778 20 10 DDCDMO C[NH+]1CCN(c2ccc(C=C3SC(=O)NC3=O)cc2F)CC1 ZINC001332528274 865910032 /nfs/dbraw/zinc/91/00/32/865910032.db2.gz ORNANGLQZCUCRK-LCYFTJDESA-N 1 1 321.377 1.901 20 10 DDCDMO C[NH+](C)Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)no1 ZINC001319989094 866418674 /nfs/dbraw/zinc/41/86/74/866418674.db2.gz CTYRAOLEYDZNTC-UHFFFAOYSA-N 1 1 305.334 1.120 20 10 DDCDMO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001333729690 866969722 /nfs/dbraw/zinc/96/97/22/866969722.db2.gz BDYXIVSJOBGLMK-HNNXBMFYSA-N 1 1 318.465 1.443 20 10 DDCDMO C[C@@H](C(=O)NC1CC1)N1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001334753292 867813629 /nfs/dbraw/zinc/81/36/29/867813629.db2.gz BTMJHLXMEIIUAX-ZDUSSCGKSA-N 1 1 302.422 1.054 20 10 DDCDMO COC(=O)N1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC001322278723 868092507 /nfs/dbraw/zinc/09/25/07/868092507.db2.gz FVIHLMLNRAZSNM-UHFFFAOYSA-N 1 1 308.334 1.395 20 10 DDCDMO COC(=O)N1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC001337001191 869254052 /nfs/dbraw/zinc/25/40/52/869254052.db2.gz NURHTTAGTAFRGG-CQSZACIVSA-N 1 1 322.361 1.092 20 10 DDCDMO COc1ccc(C[NH2+]CCCNC(=O)c2[nH]ncc2F)cc1C ZINC001166105928 869841794 /nfs/dbraw/zinc/84/17/94/869841794.db2.gz YWYQNRUUSZWCJT-UHFFFAOYSA-N 1 1 320.368 1.776 20 10 DDCDMO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2O)O1 ZINC001203552099 870636434 /nfs/dbraw/zinc/63/64/34/870636434.db2.gz AIMUNULEMUNYLB-OIISXLGYSA-N 1 1 316.401 1.650 20 10 DDCDMO Oc1ccc(C[NH+]2CCC(Oc3ncccn3)CC2)cc1O ZINC001203882685 870816001 /nfs/dbraw/zinc/81/60/01/870816001.db2.gz QOYKITORPPMICC-UHFFFAOYSA-N 1 1 301.346 1.931 20 10 DDCDMO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204345167 871067320 /nfs/dbraw/zinc/06/73/20/871067320.db2.gz IOSOGEVWUQSOTG-DRZSPHRISA-N 1 1 321.373 1.880 20 10 DDCDMO CCOC(=O)C1CC[NH+](Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204347387 871070003 /nfs/dbraw/zinc/07/00/03/871070003.db2.gz RSRJKTLEAJBUHV-UHFFFAOYSA-N 1 1 309.362 1.882 20 10 DDCDMO CN(C)c1ccc(CNC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1F ZINC001311743767 871713276 /nfs/dbraw/zinc/71/32/76/871713276.db2.gz HJNJERDEUJWCJT-CJNGLKHVSA-N 1 1 320.412 1.737 20 10 DDCDMO COC(=O)Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2CN)c(O)c1 ZINC001205855861 871864575 /nfs/dbraw/zinc/86/45/75/871864575.db2.gz PXUVGFPBWYBSPT-DOMZBBRYSA-N 1 1 306.406 1.667 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2CN)c(O)c1 ZINC001205855861 871864591 /nfs/dbraw/zinc/86/45/91/871864591.db2.gz PXUVGFPBWYBSPT-DOMZBBRYSA-N 1 1 306.406 1.667 20 10 DDCDMO [NH3+][C@@H]1CN(Cc2cc(Br)c(F)cc2O)CC[C@H]1O ZINC001206097676 872053943 /nfs/dbraw/zinc/05/39/43/872053943.db2.gz VHWFWNCNDHTNJB-GHMZBOCLSA-N 1 1 319.174 1.188 20 10 DDCDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]21 ZINC001344077213 872850977 /nfs/dbraw/zinc/85/09/77/872850977.db2.gz XEAJXQHECCNVCK-QAPCUYQASA-N 1 1 319.424 1.798 20 10 DDCDMO Nc1ccc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC001345159860 873281589 /nfs/dbraw/zinc/28/15/89/873281589.db2.gz OXBHFGQEJYKMKW-UHFFFAOYSA-N 1 1 311.385 1.932 20 10 DDCDMO O=C(N1CCCCO1)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(O)cc1O)C2 ZINC001277197300 882959625 /nfs/dbraw/zinc/95/96/25/882959625.db2.gz ZFBNMSIHYVQIDM-CXAGYDPISA-N 1 1 318.373 1.474 20 10 DDCDMO COC(=O)c1sc(C(=O)OC)c(O[C@H](C)C[NH+](C)C)c1O ZINC001227620895 883108528 /nfs/dbraw/zinc/10/85/28/883108528.db2.gz WOIDHPLFRPFLEB-SSDOTTSWSA-N 1 1 317.363 1.356 20 10 DDCDMO C[NH2+]C1(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCC1 ZINC001358052289 880308319 /nfs/dbraw/zinc/30/83/19/880308319.db2.gz NMBFSYAWQJVPGD-UHFFFAOYSA-N 1 1 316.449 1.197 20 10 DDCDMO O=C(Nc1nnco1)C12CC([NH2+]Cc3c(O)cccc3F)(C1)C2 ZINC001277484321 885188691 /nfs/dbraw/zinc/18/86/91/885188691.db2.gz MOHVAFVALFIWAD-UHFFFAOYSA-N 1 1 318.308 1.565 20 10 DDCDMO O=C1COC[C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCN12 ZINC001231591121 885751826 /nfs/dbraw/zinc/75/18/26/885751826.db2.gz UQXIGWGVDZQHBY-AWEZNQCLSA-N 1 1 312.369 1.588 20 10 DDCDMO COc1cc(C[NH+]2CCN(c3nccs3)CC2)c(O)cc1O ZINC001231635001 885772808 /nfs/dbraw/zinc/77/28/08/885772808.db2.gz SXNHSJZTLQQKDO-UHFFFAOYSA-N 1 1 321.402 1.885 20 10 DDCDMO COc1cc(C[NH+]2CCN(c3cncnc3)CC2)c(O)cc1O ZINC001231638669 885774303 /nfs/dbraw/zinc/77/43/03/885774303.db2.gz DAAJETQBMSCTLD-UHFFFAOYSA-N 1 1 316.361 1.219 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1Cl ZINC001232267078 886198189 /nfs/dbraw/zinc/19/81/89/886198189.db2.gz VWCHUQUIUZLDFC-NOZJJQNGSA-N 1 1 301.770 1.229 20 10 DDCDMO COc1cc(O)c(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)cc1Cl ZINC001232265881 886198797 /nfs/dbraw/zinc/19/87/97/886198797.db2.gz RIFKPSNVNYATAT-MNOVXSKESA-N 1 1 310.781 1.574 20 10 DDCDMO COC(=O)c1c(C[N@@H+]2CCOC[C@@H](O)C2)c2ccccc2n1C ZINC001232402498 886338431 /nfs/dbraw/zinc/33/84/31/886338431.db2.gz OTKUVXNNSBSKEK-LBPRGKRZSA-N 1 1 318.373 1.158 20 10 DDCDMO COC(=O)c1c(C[N@H+]2CCOC[C@@H](O)C2)c2ccccc2n1C ZINC001232402498 886338445 /nfs/dbraw/zinc/33/84/45/886338445.db2.gz OTKUVXNNSBSKEK-LBPRGKRZSA-N 1 1 318.373 1.158 20 10 DDCDMO CN(C)C(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232835071 886620771 /nfs/dbraw/zinc/62/07/71/886620771.db2.gz UOMQOOUTIYLMQZ-UHFFFAOYSA-N 1 1 306.410 1.257 20 10 DDCDMO OC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC[C@H]1O ZINC001233451885 887000741 /nfs/dbraw/zinc/00/07/41/887000741.db2.gz CLOYKQSBZYJILU-ZYHUDNBSSA-N 1 1 305.296 1.586 20 10 DDCDMO N[C@H]1CCN(Cc2cc3c(cc2O)OCC[NH2+]C3)CC1(F)F ZINC001235914871 889006189 /nfs/dbraw/zinc/00/61/89/889006189.db2.gz MUWNQZIOQBKIBE-AWEZNQCLSA-N 1 1 313.348 1.043 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@]3(CCNC3=O)C2)c(Cl)c1 ZINC001236796748 889361467 /nfs/dbraw/zinc/36/14/67/889361467.db2.gz YSVUPYVQFKAPFF-OAHLLOKOSA-N 1 1 310.781 1.766 20 10 DDCDMO CCOc1ccc(CN2CC[N@H+](C)C[C@H]2C(=O)OC)c(O)c1 ZINC001237046378 889478553 /nfs/dbraw/zinc/47/85/53/889478553.db2.gz BJGFFFZAGRIJJH-AWEZNQCLSA-N 1 1 308.378 1.080 20 10 DDCDMO CCOc1ccc(CN2CC[N@@H+](C)C[C@H]2C(=O)OC)c(O)c1 ZINC001237046378 889478561 /nfs/dbraw/zinc/47/85/61/889478561.db2.gz BJGFFFZAGRIJJH-AWEZNQCLSA-N 1 1 308.378 1.080 20 10 DDCDMO CC(C)c1ccc(C[N@H+]2CCN3C(=O)COC[C@@H]3C2)c(O)c1 ZINC001237054750 889483526 /nfs/dbraw/zinc/48/35/26/889483526.db2.gz GDOOQLAVSSOMGW-HNNXBMFYSA-N 1 1 304.390 1.559 20 10 DDCDMO COc1cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c(O)c(OC)c1 ZINC001237675053 889795795 /nfs/dbraw/zinc/79/57/95/889795795.db2.gz RJCQVOUNBDYALE-LLVKDONJSA-N 1 1 317.332 1.859 20 10 DDCDMO CCNC(=O)CO[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238070797 890014052 /nfs/dbraw/zinc/01/40/52/890014052.db2.gz PHGRZXQFWUOHEM-OAHLLOKOSA-N 1 1 324.396 1.957 20 10 DDCDMO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(CC(=O)OC)cc1O ZINC001249216660 893871007 /nfs/dbraw/zinc/87/10/07/893871007.db2.gz GRXQWAGGXAVWEQ-AWEZNQCLSA-N 1 1 320.389 1.208 20 10 DDCDMO NC(=O)c1cc(C[NH2+]Cc2ccc(N3CCCC3)cc2)on1 ZINC001254746201 896586500 /nfs/dbraw/zinc/58/65/00/896586500.db2.gz NZBSYDIGRLJDMN-UHFFFAOYSA-N 1 1 300.362 1.664 20 10 DDCDMO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCN2C)cc1C ZINC001265758800 902376029 /nfs/dbraw/zinc/37/60/29/902376029.db2.gz KCCHLFZBTFKXSQ-ZBFHGGJFSA-N 1 1 319.449 1.692 20 10 DDCDMO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000082320333 185175826 /nfs/dbraw/zinc/17/58/26/185175826.db2.gz BUXUUWFXDQWUOR-INIZCTEOSA-N 1 1 303.406 1.438 20 10 DDCDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000092304258 193186995 /nfs/dbraw/zinc/18/69/95/193186995.db2.gz VPRHNSVEHUEPEY-AWEZNQCLSA-N 1 1 312.435 1.523 20 10 DDCDMO C[C@H](O)[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000272625703 130047735 /nfs/dbraw/zinc/04/77/35/130047735.db2.gz VJQKHNVUWCGPRI-ZFWWWQNUSA-N 1 1 305.422 1.072 20 10 DDCDMO COc1cccc(CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1O ZINC000273028434 130084123 /nfs/dbraw/zinc/08/41/23/130084123.db2.gz UQFVTZUJHFUZKU-LBPRGKRZSA-N 1 1 319.405 1.850 20 10 DDCDMO CCC[N@@H+](CC)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000299385515 132102090 /nfs/dbraw/zinc/10/20/90/132102090.db2.gz PJZMINYDPQYZSW-UHFFFAOYSA-N 1 1 306.366 1.844 20 10 DDCDMO COc1ccc(O)c([C@H](C)[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000366486419 286339283 /nfs/dbraw/zinc/33/92/83/286339283.db2.gz XNLKQSBLZPCHKX-UFGOTCBOSA-N 1 1 304.346 1.056 20 10 DDCDMO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)cc1O ZINC000186166566 407593181 /nfs/dbraw/zinc/59/31/81/407593181.db2.gz YFEOQBHCHMBKIU-QWRGUYRKSA-N 1 1 316.398 1.463 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]2Cc3ccccc3C[C@@H]2C(N)=O)c1 ZINC000179602247 407813664 /nfs/dbraw/zinc/81/36/64/407813664.db2.gz CMRJMQHQQNZXFW-MRXNPFEDSA-N 1 1 312.369 1.813 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2Cc3ccccc3C[C@@H]2C(N)=O)c1 ZINC000179602247 407813669 /nfs/dbraw/zinc/81/36/69/407813669.db2.gz CMRJMQHQQNZXFW-MRXNPFEDSA-N 1 1 312.369 1.813 20 10 DDCDMO COc1ccc(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)cc1F ZINC000119413730 408064207 /nfs/dbraw/zinc/06/42/07/408064207.db2.gz BLZZWJNRRQHFIL-HNNXBMFYSA-N 1 1 321.396 1.625 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1 ZINC000280978955 408868034 /nfs/dbraw/zinc/86/80/34/408868034.db2.gz VZHYBQPETDYTMH-IACUBPJLSA-N 1 1 323.389 1.474 20 10 DDCDMO CCCC[N@@H+](CC(=O)N1CCOCC1)Cc1ccccc1O ZINC000282377201 409043210 /nfs/dbraw/zinc/04/32/10/409043210.db2.gz FPMKOTKUKPFTCI-UHFFFAOYSA-N 1 1 306.406 1.853 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000292903134 409044775 /nfs/dbraw/zinc/04/47/75/409044775.db2.gz GRYITHLSNBGQLQ-KRWDZBQOSA-N 1 1 315.421 1.674 20 10 DDCDMO COCCOCCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278948919 409119368 /nfs/dbraw/zinc/11/93/68/409119368.db2.gz YZOWXOJSVCZFNU-UHFFFAOYSA-N 1 1 314.338 1.452 20 10 DDCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@]2(CCOC2)O1 ZINC000280182099 409264416 /nfs/dbraw/zinc/26/44/16/409264416.db2.gz GTYZTVINDPWHNA-ZBEGNZNMSA-N 1 1 307.346 1.501 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@@H](O)C(C)(C)C2)cc1 ZINC000279835540 409248839 /nfs/dbraw/zinc/24/88/39/409248839.db2.gz RGACKYJLJAZUNT-MRXNPFEDSA-N 1 1 319.449 1.414 20 10 DDCDMO C[C@]1(C[C@H]2CCC[N@H+]2Cc2cc(F)ccc2O)NC(=O)NC1=O ZINC000289706242 409284787 /nfs/dbraw/zinc/28/47/87/409284787.db2.gz OSKDLFWWAHINAZ-MLGOLLRUSA-N 1 1 321.352 1.484 20 10 DDCDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000280360602 409299528 /nfs/dbraw/zinc/29/95/28/409299528.db2.gz VJAMKNDOWYFGHJ-FZMZJTMJSA-N 1 1 304.390 1.772 20 10 DDCDMO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000294877261 409305257 /nfs/dbraw/zinc/30/52/57/409305257.db2.gz VHSAKWLQHBZKJU-LBPRGKRZSA-N 1 1 322.361 1.784 20 10 DDCDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000295176964 409359255 /nfs/dbraw/zinc/35/92/55/409359255.db2.gz VCZBYLWHFLCCDG-LLVKDONJSA-N 1 1 308.334 1.393 20 10 DDCDMO COc1cccc(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000374081763 418486847 /nfs/dbraw/zinc/48/68/47/418486847.db2.gz SHPXVKJFVWZMTI-KBPBESRZSA-N 1 1 319.405 1.827 20 10 DDCDMO Cc1nccnc1N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000367034362 418553065 /nfs/dbraw/zinc/55/30/65/418553065.db2.gz BJXKPUFKJZKBOV-UHFFFAOYSA-N 1 1 302.353 1.952 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@](O)(C(N)=O)C2)cc1F ZINC000367488371 418606137 /nfs/dbraw/zinc/60/61/37/418606137.db2.gz AHHZRXYDSBIEKL-QGZVFWFLSA-N 1 1 323.412 1.484 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC000370081385 418740915 /nfs/dbraw/zinc/74/09/15/418740915.db2.gz JDSSGOKMFLSZPR-SFHVURJKSA-N 1 1 317.433 1.216 20 10 DDCDMO COc1ccc(N2CCC([NH2+]C[C@](C)(O)CN(C)C)CC2)cc1 ZINC000378406754 418722351 /nfs/dbraw/zinc/72/23/51/418722351.db2.gz VGFXXBBCEKESEY-SFHVURJKSA-N 1 1 321.465 1.566 20 10 DDCDMO CCCOc1ccc(C[NH+]2CCN(C[C@H](C)O)CC2)c(O)c1 ZINC000189838562 520347439 /nfs/dbraw/zinc/34/74/39/520347439.db2.gz BAGYBHICTDAKJB-AWEZNQCLSA-N 1 1 308.422 1.679 20 10 DDCDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cc2c(cc1O)OCO2 ZINC000188846282 524586415 /nfs/dbraw/zinc/58/64/15/524586415.db2.gz YVVLAQSBVZJJSQ-LBPRGKRZSA-N 1 1 322.405 1.398 20 10 DDCDMO C[N@H+](Cc1cc2c(cc1O)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000159613990 697311080 /nfs/dbraw/zinc/31/10/80/697311080.db2.gz SZGIDKJXMITJGO-OAHLLOKOSA-N 1 1 309.431 1.890 20 10 DDCDMO C[N@@H+](Cc1cc2c(cc1O)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000159613990 697311083 /nfs/dbraw/zinc/31/10/83/697311083.db2.gz SZGIDKJXMITJGO-OAHLLOKOSA-N 1 1 309.431 1.890 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CCN(C(C)=O)CC2(C)C)cc1OC ZINC000182083418 697470036 /nfs/dbraw/zinc/47/00/36/697470036.db2.gz UOAAVTSVVBXBPT-UHFFFAOYSA-N 1 1 322.405 1.852 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCN(C(C)=O)CC2(C)C)cc1OC ZINC000182083418 697470039 /nfs/dbraw/zinc/47/00/39/697470039.db2.gz UOAAVTSVVBXBPT-UHFFFAOYSA-N 1 1 322.405 1.852 20 10 DDCDMO COc1c(O)c(C[NH2+]C2CCC(C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000775011457 697954565 /nfs/dbraw/zinc/95/45/65/697954565.db2.gz KJYKUNBWKIKWDG-UHFFFAOYSA-N 1 1 323.349 1.443 20 10 DDCDMO COc1c(O)c(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775075853 697960872 /nfs/dbraw/zinc/96/08/72/697960872.db2.gz PPCWQHDWHMUTNR-MNOVXSKESA-N 1 1 309.366 1.833 20 10 DDCDMO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000800785593 700244462 /nfs/dbraw/zinc/24/44/62/700244462.db2.gz VNLMIGHFERKVMD-INIZCTEOSA-N 1 1 313.449 1.813 20 10 DDCDMO COCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCOC1 ZINC000782960570 698789108 /nfs/dbraw/zinc/78/91/08/698789108.db2.gz HELWFDANMLQJQF-CYBMUJFWSA-N 1 1 311.378 1.647 20 10 DDCDMO CN1CCC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1=O ZINC000704343146 699237808 /nfs/dbraw/zinc/23/78/08/699237808.db2.gz VSCKEUVINMLSCQ-LLVKDONJSA-N 1 1 313.195 1.865 20 10 DDCDMO COCCN1CC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790960923 699604787 /nfs/dbraw/zinc/60/47/87/699604787.db2.gz LTVRNAOKJDDISK-SNVBAGLBSA-N 1 1 302.777 1.995 20 10 DDCDMO C[N@H+]1CC[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000735516745 699695875 /nfs/dbraw/zinc/69/58/75/699695875.db2.gz YYTQTODHKXTYRF-JKSUJKDBSA-N 1 1 318.417 1.852 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1 ZINC000756706587 700637050 /nfs/dbraw/zinc/63/70/50/700637050.db2.gz ULUBQZPIYFJVHU-ZBOXLXRLSA-N 1 1 320.389 1.874 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(=O)NC2CCCC2)c1 ZINC000756707285 700637141 /nfs/dbraw/zinc/63/71/41/700637141.db2.gz UVNIEAYOMIQGIE-LLVKDONJSA-N 1 1 320.389 1.888 20 10 DDCDMO COC(=O)c1cn(C2C[NH+](Cc3cc(C)cc(C)c3O)C2)nn1 ZINC000758967820 700731262 /nfs/dbraw/zinc/73/12/62/700731262.db2.gz CWWVOZJIMGKYSA-UHFFFAOYSA-N 1 1 316.361 1.444 20 10 DDCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCNC1=O ZINC000764142625 700961155 /nfs/dbraw/zinc/96/11/55/700961155.db2.gz HRUVKNGMVXWXHA-MRXNPFEDSA-N 1 1 303.406 1.234 20 10 DDCDMO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809768949 701688297 /nfs/dbraw/zinc/68/82/97/701688297.db2.gz ZDSYOFKKJTYJNA-QAPCUYQASA-N 1 1 320.433 1.495 20 10 DDCDMO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809768949 701688299 /nfs/dbraw/zinc/68/82/99/701688299.db2.gz ZDSYOFKKJTYJNA-QAPCUYQASA-N 1 1 320.433 1.495 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](CC(N)=O)C3)cc2)CC1 ZINC000809784879 701689167 /nfs/dbraw/zinc/68/91/67/701689167.db2.gz KSXKPMQHOLFNGE-MRXNPFEDSA-N 1 1 316.449 1.136 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@H](CC(N)=O)C3)cc2)CC1 ZINC000809784879 701689169 /nfs/dbraw/zinc/68/91/69/701689169.db2.gz KSXKPMQHOLFNGE-MRXNPFEDSA-N 1 1 316.449 1.136 20 10 DDCDMO COC(=O)[C@@H](C)C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CC1 ZINC000768450258 701177821 /nfs/dbraw/zinc/17/78/21/701177821.db2.gz JHTHVPHGLPAHIP-ZUZCIYMTSA-N 1 1 321.373 1.592 20 10 DDCDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000768461534 701179241 /nfs/dbraw/zinc/17/92/41/701179241.db2.gz WGLYPDHPKCTCDG-AWEZNQCLSA-N 1 1 322.380 1.657 20 10 DDCDMO COc1cccc(O)c1C[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000769310816 701240328 /nfs/dbraw/zinc/24/03/28/701240328.db2.gz ZECUPRIUHQKVGY-UHFFFAOYSA-N 1 1 316.405 1.452 20 10 DDCDMO COc1cccc(O)c1CN1CCC([N@@H+](C)CCCO)CC1 ZINC000769429265 701244657 /nfs/dbraw/zinc/24/46/57/701244657.db2.gz WJEOIERZLHMNAS-UHFFFAOYSA-N 1 1 308.422 1.679 20 10 DDCDMO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771836719 701333898 /nfs/dbraw/zinc/33/38/98/701333898.db2.gz PCSDGKKGPAICLL-SFHVURJKSA-N 1 1 305.466 1.935 20 10 DDCDMO Cn1cnc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000808380411 701515905 /nfs/dbraw/zinc/51/59/05/701515905.db2.gz IHPSAASWDMEHMX-UHFFFAOYSA-N 1 1 304.369 1.686 20 10 DDCDMO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000810172777 701739307 /nfs/dbraw/zinc/73/93/07/701739307.db2.gz PKTDOJGCYLNOCZ-SFHVURJKSA-N 1 1 305.466 1.935 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](C3CCC3)C1)[C@H](O)CO2 ZINC000840174513 702012147 /nfs/dbraw/zinc/01/21/47/702012147.db2.gz BKOTXAAPLFPIAM-WBVHZDCISA-N 1 1 305.374 1.819 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](C3CCC3)C1)[C@H](O)CO2 ZINC000840174513 702012152 /nfs/dbraw/zinc/01/21/52/702012152.db2.gz BKOTXAAPLFPIAM-WBVHZDCISA-N 1 1 305.374 1.819 20 10 DDCDMO CC(C)[N@H+](Cc1cc2c(cc1O)OCO2)C[C@@H]1CCC(=O)N1 ZINC000840188136 702021298 /nfs/dbraw/zinc/02/12/98/702021298.db2.gz XWEFKBYIUZGSDF-LBPRGKRZSA-N 1 1 306.362 1.610 20 10 DDCDMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816566681 702114241 /nfs/dbraw/zinc/11/42/41/702114241.db2.gz CKAVJCKEBPOQSI-HNNXBMFYSA-N 1 1 300.358 1.492 20 10 DDCDMO OC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1O ZINC000840974620 702297891 /nfs/dbraw/zinc/29/78/91/702297891.db2.gz DCWHNKCIAFVIKR-AEFFLSMTSA-N 1 1 304.434 1.852 20 10 DDCDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(N)cc3)CC[C@@H]21 ZINC000841071596 702336409 /nfs/dbraw/zinc/33/64/09/702336409.db2.gz QLNLWPNMFFBPEV-WFASDCNBSA-N 1 1 316.405 1.150 20 10 DDCDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841132551 702359901 /nfs/dbraw/zinc/35/99/01/702359901.db2.gz QDCSSXYTIMTNPU-GFCCVEGCSA-N 1 1 306.410 1.444 20 10 DDCDMO CC(=O)c1cc(F)cc(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c1O ZINC000842163783 702678786 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/nfs/dbraw/zinc/12/26/82/704122682.db2.gz XVOHQOOBHXQAMH-MRXNPFEDSA-N 1 1 321.465 1.742 20 10 DDCDMO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000819582361 704144925 /nfs/dbraw/zinc/14/49/25/704144925.db2.gz KTMPTGFYAOQQFC-YOEHRIQHSA-N 1 1 317.433 1.732 20 10 DDCDMO Oc1ccccc1C[N@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856534530 704532223 /nfs/dbraw/zinc/53/22/23/704532223.db2.gz SMYFWAORZRHEHF-JKSUJKDBSA-N 1 1 311.385 1.743 20 10 DDCDMO COCC[N@H+](C)CCNCc1cc(F)c(N(C)C)cc1F ZINC000858121656 704667970 /nfs/dbraw/zinc/66/79/70/704667970.db2.gz KSXBPECRHPKLDZ-UHFFFAOYSA-N 1 1 301.381 1.699 20 10 DDCDMO COCC[N@@H+](C)CCNCc1cc(F)c(N(C)C)cc1F ZINC000858121656 704667972 /nfs/dbraw/zinc/66/79/72/704667972.db2.gz KSXBPECRHPKLDZ-UHFFFAOYSA-N 1 1 301.381 1.699 20 10 DDCDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]2C1 ZINC000823030435 705118115 /nfs/dbraw/zinc/11/81/15/705118115.db2.gz WTFUWSTVVLIOPW-OLZOCXBDSA-N 1 1 315.377 1.873 20 10 DDCDMO 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ZINC001231633242 885768387 /nfs/dbraw/zinc/76/83/87/885768387.db2.gz LQXLWYWJKZZKIF-RNCFNFMXSA-N 1 1 301.289 1.572 20 10 DDCDMO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231850712 885904195 /nfs/dbraw/zinc/90/41/95/885904195.db2.gz UGXWKYHTNXNFGR-CQSZACIVSA-N 1 1 306.406 1.736 20 10 DDCDMO Cc1cc(O)c(C[NH+]2CCN(c3ncncn3)CC2)cc1Cl ZINC001231871346 885917868 /nfs/dbraw/zinc/91/78/68/885917868.db2.gz JBODPIGBSJKSPX-UHFFFAOYSA-N 1 1 319.796 1.861 20 10 DDCDMO COc1cc(O)c(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)c(OC)c1 ZINC001277588532 885949690 /nfs/dbraw/zinc/94/96/90/885949690.db2.gz NDIZTHBXHAKSKX-CULMDFNYSA-N 1 1 320.389 1.353 20 10 DDCDMO O=C1CCCC2(CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)N1 ZINC001233010948 886721752 /nfs/dbraw/zinc/72/17/52/886721752.db2.gz AEWKRUUJXCPDPC-UHFFFAOYSA-N 1 1 306.362 1.438 20 10 DDCDMO Cc1noc(C2CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)n1 ZINC001233016830 886731752 /nfs/dbraw/zinc/73/17/52/886731752.db2.gz PTGCDKWWEPIKKO-UHFFFAOYSA-N 1 1 305.334 1.874 20 10 DDCDMO COc1cc(O)c(C[N@H+](C)C2COC2)cc1Br ZINC001233140604 886814261 /nfs/dbraw/zinc/81/42/61/886814261.db2.gz NXGRMWRBAHMTEH-UHFFFAOYSA-N 1 1 302.168 1.994 20 10 DDCDMO COc1cc(O)c(C[N@@H+](C)C2COC2)cc1Br ZINC001233140604 886814278 /nfs/dbraw/zinc/81/42/78/886814278.db2.gz NXGRMWRBAHMTEH-UHFFFAOYSA-N 1 1 302.168 1.994 20 10 DDCDMO COC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(Cl)cc(F)c1O ZINC001236058139 889088928 /nfs/dbraw/zinc/08/89/28/889088928.db2.gz LQTDXFZRWSSOGP-NSHDSACASA-N 1 1 302.733 1.132 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CCc3nccn3CC2)cc1OC ZINC001236757259 889333608 /nfs/dbraw/zinc/33/36/08/889333608.db2.gz JJSHXRQHTZEDFN-UHFFFAOYSA-N 1 1 303.362 1.664 20 10 DDCDMO COc1cc(C)c(CN2CCN(CCC[NH+](C)C)CC2)c(O)c1 ZINC001236811359 889369093 /nfs/dbraw/zinc/36/90/93/889369093.db2.gz RJIZAKNWQVKIOS-UHFFFAOYSA-N 1 1 321.465 1.779 20 10 DDCDMO COc1cc(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)c(O)c(OC)c1 ZINC001237670591 889792463 /nfs/dbraw/zinc/79/24/63/889792463.db2.gz UDJURPLOZPICSV-GFCCVEGCSA-N 1 1 313.394 1.363 20 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CC[N@@H+](Cc1cccc(OC)c1O)[C@@H](C)CS(C)(=O)=O ZINC000093391042 285106846 /nfs/dbraw/zinc/10/68/46/285106846.db2.gz VQUDCUNXOZQWPA-NSHDSACASA-N 1 1 301.408 1.656 20 10 DDCDMO C[N@@H+](CCn1ccnc1)Cc1ccc(N2CCOCC2)cc1 ZINC000272946129 130076351 /nfs/dbraw/zinc/07/63/51/130076351.db2.gz FLERODXIHOCESX-UHFFFAOYSA-N 1 1 300.406 1.852 20 10 DDCDMO OCCC[N@@H+](Cc1ccccn1)Cc1cc2c(cc1O)OCO2 ZINC000289412021 131384572 /nfs/dbraw/zinc/38/45/72/131384572.db2.gz IAKDVWSHXWYBPC-UHFFFAOYSA-N 1 1 316.357 1.901 20 10 DDCDMO CC(=O)NC[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000172169837 407808812 /nfs/dbraw/zinc/80/88/12/407808812.db2.gz PHKIEPIQPFOPFJ-HNNXBMFYSA-N 1 1 314.385 1.882 20 10 DDCDMO COc1cccc(C[NH+]2CCC(CN3CCOCC3)CC2)c1O ZINC000134114481 407885922 /nfs/dbraw/zinc/88/59/22/407885922.db2.gz DIUOUWZRQTWRAC-UHFFFAOYSA-N 1 1 320.433 1.945 20 10 DDCDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000175665424 408180703 /nfs/dbraw/zinc/18/07/03/408180703.db2.gz KVJHAXXLYMQESG-NSHDSACASA-N 1 1 308.353 1.692 20 10 DDCDMO C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)Cc1ccccc1O ZINC000264608066 408540366 /nfs/dbraw/zinc/54/03/66/408540366.db2.gz MOHBNXCAWNWXHU-DOTOQJQBSA-N 1 1 318.417 1.994 20 10 DDCDMO C[NH+]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000264644926 408542895 /nfs/dbraw/zinc/54/28/95/408542895.db2.gz PIDWLUMFUJPCBD-QPJJXVBHSA-N 1 1 315.417 1.310 20 10 DDCDMO Nc1ccc(CC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000167317941 408817350 /nfs/dbraw/zinc/81/73/50/408817350.db2.gz CSXWSJAHKOZGGK-QGZVFWFLSA-N 1 1 317.433 1.525 20 10 DDCDMO C[C@@]1(C[C@H]2CCC[N@H+]2Cc2cc(F)ccc2O)NC(=O)NC1=O ZINC000289706246 409284769 /nfs/dbraw/zinc/28/47/69/409284769.db2.gz OSKDLFWWAHINAZ-WBMJQRKESA-N 1 1 321.352 1.484 20 10 DDCDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](O)C(F)F ZINC000294953387 409306227 /nfs/dbraw/zinc/30/62/27/409306227.db2.gz DEFWPWNFAHYBQZ-GZMMTYOYSA-N 1 1 320.292 1.803 20 10 DDCDMO COC[C@]1(C)CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000295125851 409332480 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COc1c(O)c(C[NH2+][C@H]2CCc3c[nH]nc3C2)ccc1[N+](=O)[O-] ZINC000369326783 418732442 /nfs/dbraw/zinc/73/24/42/418732442.db2.gz KYJTWDXITCCEBB-NSHDSACASA-N 1 1 318.333 1.679 20 10 DDCDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000278799711 222517544 /nfs/dbraw/zinc/51/75/44/222517544.db2.gz XKFQGOVIYZTSAU-NVXWUHKLSA-N 1 1 323.433 1.855 20 10 DDCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1O ZINC000372740879 418898398 /nfs/dbraw/zinc/89/83/98/418898398.db2.gz NUGMEWKKOQNINV-GFCCVEGCSA-N 1 1 314.407 1.044 20 10 DDCDMO CC[C@H](c1ccccc1O)[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000372575004 288167589 /nfs/dbraw/zinc/16/75/89/288167589.db2.gz ZLEGSWCRDFLIPG-GXTWGEPZSA-N 1 1 312.435 1.857 20 10 DDCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCN2C(=O)N(C)C(=O)[C@H]2C1 ZINC000372596241 280218787 /nfs/dbraw/zinc/21/87/87/280218787.db2.gz SANJGCFVNVYWGT-QWHCGFSZSA-N 1 1 303.362 1.422 20 10 DDCDMO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)c1 ZINC000185392174 295168641 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COc1ccc(O)c([C@H](C)NC(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000732888747 699574314 /nfs/dbraw/zinc/57/43/14/699574314.db2.gz DIZBUMXMSUFULA-NSHDSACASA-N 1 1 307.394 1.855 20 10 DDCDMO CCOC(=O)[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000741241686 699823736 /nfs/dbraw/zinc/82/37/36/699823736.db2.gz LMWUSURVEPHYAB-MRXNPFEDSA-N 1 1 316.357 1.704 20 10 DDCDMO CCOC(=O)[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000741241686 699823738 /nfs/dbraw/zinc/82/37/38/699823738.db2.gz LMWUSURVEPHYAB-MRXNPFEDSA-N 1 1 316.357 1.704 20 10 DDCDMO C[NH+]1CCN(c2ccc(CN3CC[C@](F)(CO)C3)cc2)CC1 ZINC000802660616 700416399 /nfs/dbraw/zinc/41/63/99/700416399.db2.gz RHHPGKVPNMHFDU-QGZVFWFLSA-N 1 1 307.413 1.345 20 10 DDCDMO CC(=O)NC1CCC([N@@H+](C)Cc2cc3c(cc2O)OCO3)CC1 ZINC000753591199 700444910 /nfs/dbraw/zinc/44/49/10/700444910.db2.gz PEZWTSYVQVEGOY-UHFFFAOYSA-N 1 1 320.389 2.000 20 10 DDCDMO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1F ZINC000753741172 700453326 /nfs/dbraw/zinc/45/33/26/700453326.db2.gz DWCMILCYQVQULP-HNNXBMFYSA-N 1 1 321.396 1.577 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c1 ZINC000756770553 700640302 /nfs/dbraw/zinc/64/03/02/700640302.db2.gz YENVIXCPWKUKTI-VHSXEESVSA-N 1 1 315.391 1.263 20 10 DDCDMO Cc1cc(C[N@H+]2CC[C@H](N3CCOCC3)C2)ccc1N(C)C ZINC000815054693 701789654 /nfs/dbraw/zinc/78/96/54/701789654.db2.gz OBBDORYRMVXHRO-KRWDZBQOSA-N 1 1 303.450 1.968 20 10 DDCDMO CN1CC[NH+](C[C@H](O)COc2ccc(N3CCCC3)cc2)CC1 ZINC000840759912 702230681 /nfs/dbraw/zinc/23/06/81/702230681.db2.gz MCDCIMQPHKPKGA-KRWDZBQOSA-N 1 1 319.449 1.274 20 10 DDCDMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841007102 702308422 /nfs/dbraw/zinc/30/84/22/702308422.db2.gz LKSQNUQGRGNSOB-GFCCVEGCSA-N 1 1 304.394 1.055 20 10 DDCDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc(N)cc1 ZINC000841298271 702416970 /nfs/dbraw/zinc/41/69/70/702416970.db2.gz YRTBOBQJYRTWPB-UHFFFAOYSA-N 1 1 306.410 1.843 20 10 DDCDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc(N)cc1 ZINC000841298271 702416973 /nfs/dbraw/zinc/41/69/73/702416973.db2.gz YRTBOBQJYRTWPB-UHFFFAOYSA-N 1 1 306.410 1.843 20 10 DDCDMO C[C@H]([NH2+]CC(=O)N1CCNCC1)c1cc2c(cc1O)CCCC2 ZINC000817946105 702532452 /nfs/dbraw/zinc/53/24/52/702532452.db2.gz RQTYDGWQSVRCSM-ZDUSSCGKSA-N 1 1 317.433 1.353 20 10 DDCDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC[C@H]1[NH3+] ZINC000843051053 702808511 /nfs/dbraw/zinc/80/85/11/702808511.db2.gz UFLQLAXAAAPHMU-ZYHUDNBSSA-N 1 1 309.366 1.868 20 10 DDCDMO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC[C@H]1[NH3+] ZINC000843051053 702808514 /nfs/dbraw/zinc/80/85/14/702808514.db2.gz UFLQLAXAAAPHMU-ZYHUDNBSSA-N 1 1 309.366 1.868 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)CN2CCOCC2)cc1 ZINC000844400989 703026340 /nfs/dbraw/zinc/02/63/40/703026340.db2.gz JELRGQYHZXFXPM-INIZCTEOSA-N 1 1 321.465 1.784 20 10 DDCDMO COc1ccc2ccc(O)c(C[N@@H+]3CCN(C)C(=O)C3)c2c1 ZINC000844729407 703064747 /nfs/dbraw/zinc/06/47/47/703064747.db2.gz FSLKEVRDLXLVTG-UHFFFAOYSA-N 1 1 300.358 1.828 20 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1.224 20 10 DDCDMO COCCCNC(=O)C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000121439090 696710012 /nfs/dbraw/zinc/71/00/12/696710012.db2.gz YHKQVQPYOIBEEA-UHFFFAOYSA-N 1 1 300.786 1.630 20 10 DDCDMO COCCCNC(=O)C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000121439090 696710014 /nfs/dbraw/zinc/71/00/14/696710014.db2.gz YHKQVQPYOIBEEA-UHFFFAOYSA-N 1 1 300.786 1.630 20 10 DDCDMO COc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000745820169 699995793 /nfs/dbraw/zinc/99/57/93/699995793.db2.gz MIYTVPHXZPVRBB-WCQYABFASA-N 1 1 307.394 1.683 20 10 DDCDMO COc1ccc(N2CC[NH+](C[C@H](O)c3ccccn3)CC2)cc1 ZINC000032229812 696123284 /nfs/dbraw/zinc/12/32/84/696123284.db2.gz WUNGYYSBLDQVPG-SFHVURJKSA-N 1 1 313.401 1.946 20 10 DDCDMO COCC[C@H](CO)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000798504995 700070870 /nfs/dbraw/zinc/07/08/70/700070870.db2.gz HGPDGZXDYYNDDM-LLVKDONJSA-N 1 1 318.211 1.950 20 10 DDCDMO CC(=O)NC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000079406536 696460300 /nfs/dbraw/zinc/46/03/00/696460300.db2.gz ZXQLTOWRJGFJNI-UHFFFAOYSA-N 1 1 308.353 1.834 20 10 DDCDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000799347831 700138012 /nfs/dbraw/zinc/13/80/12/700138012.db2.gz OSCUTNJCODAVJM-WMLDXEAASA-N 1 1 316.449 1.053 20 10 DDCDMO COc1cc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000164234790 697335842 /nfs/dbraw/zinc/33/58/42/697335842.db2.gz HFRCRNAPLDICFM-AWEZNQCLSA-N 1 1 322.405 1.384 20 10 DDCDMO COc1cc(C[N@H+]2CCO[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000164234790 697335845 /nfs/dbraw/zinc/33/58/45/697335845.db2.gz HFRCRNAPLDICFM-AWEZNQCLSA-N 1 1 322.405 1.384 20 10 DDCDMO CCC[N@@H+](CC)CCNC(=O)NCc1cccc(OC)c1O ZINC000175779201 697398423 /nfs/dbraw/zinc/39/84/23/697398423.db2.gz NUEWERXEXYJMFD-UHFFFAOYSA-N 1 1 309.410 1.932 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H]2CCn3ccnc3C2)ccc1[N+](=O)[O-] ZINC000775086364 697961620 /nfs/dbraw/zinc/96/16/20/697961620.db2.gz FJKGDIFFOSAYQC-LLVKDONJSA-N 1 1 318.333 1.610 20 10 DDCDMO CC[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1O ZINC000775745542 698029162 /nfs/dbraw/zinc/02/91/62/698029162.db2.gz XMFYJNZRQXIMES-SJLPKXTDSA-N 1 1 303.450 1.641 20 10 DDCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1O ZINC000775745542 698029166 /nfs/dbraw/zinc/02/91/66/698029166.db2.gz XMFYJNZRQXIMES-SJLPKXTDSA-N 1 1 303.450 1.641 20 10 DDCDMO COCC[C@H](CO)[NH2+]Cc1cccc(Br)c1O ZINC000305899620 698659820 /nfs/dbraw/zinc/65/98/20/698659820.db2.gz AFKUYSVSNKJHPA-SNVBAGLBSA-N 1 1 304.184 1.642 20 10 DDCDMO CC(=O)N[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707144713 699245786 /nfs/dbraw/zinc/24/57/86/699245786.db2.gz QRHRJDOBVSQPSY-JTQLQIEISA-N 1 1 313.195 1.865 20 10 DDCDMO COc1ccc(O)c(C[N@@H+](C)CCN2CCOC(C)(C)C2)c1 ZINC000789764067 699406961 /nfs/dbraw/zinc/40/69/61/699406961.db2.gz DFSSVRGFLQXXGZ-UHFFFAOYSA-N 1 1 308.422 1.943 20 10 DDCDMO COc1cc(C)cc(C[NH+]2CCN(C(=O)N(C)C)CC2)c1O ZINC000754727346 700522656 /nfs/dbraw/zinc/52/26/56/700522656.db2.gz XVJNGNRTVYQIQV-UHFFFAOYSA-N 1 1 307.394 1.508 20 10 DDCDMO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000762487231 700894242 /nfs/dbraw/zinc/89/42/42/700894242.db2.gz SYAXGJFJBAEEIM-MAUKXSAKSA-N 1 1 303.450 1.953 20 10 DDCDMO COc1cc(C)cc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)c1O ZINC000763314861 700933731 /nfs/dbraw/zinc/93/37/31/700933731.db2.gz OVCHCUUQWZNYER-ZDUSSCGKSA-N 1 1 306.362 1.736 20 10 DDCDMO C[C@H](CO)CCC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771864962 701334782 /nfs/dbraw/zinc/33/47/82/701334782.db2.gz MVXZSYLNMGUAKR-INIZCTEOSA-N 1 1 305.466 1.937 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2CCO)cc1 ZINC000839564960 701738427 /nfs/dbraw/zinc/73/84/27/701738427.db2.gz BYWBTXHPGZMRJJ-MRXNPFEDSA-N 1 1 305.422 1.216 20 10 DDCDMO CS(=O)(=O)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816482307 702093828 /nfs/dbraw/zinc/09/38/28/702093828.db2.gz BBKYYABOTKNIJH-UHFFFAOYSA-N 1 1 320.414 1.623 20 10 DDCDMO [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3c([O-])cccc3Cl)C2)nn1 ZINC000841098940 702345693 /nfs/dbraw/zinc/34/56/93/702345693.db2.gz AIVQLSVDAKLOPQ-GFCCVEGCSA-N 1 1 321.812 1.933 20 10 DDCDMO [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)nn1 ZINC000841098940 702345700 /nfs/dbraw/zinc/34/57/00/702345700.db2.gz AIVQLSVDAKLOPQ-GFCCVEGCSA-N 1 1 321.812 1.933 20 10 DDCDMO CN1C[C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC000814173113 702490474 /nfs/dbraw/zinc/49/04/74/702490474.db2.gz GGXAZBPYYUZVSC-AEFFLSMTSA-N 1 1 301.434 1.659 20 10 DDCDMO C[N@@H+]1C[C@H]2CCN(Cc3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC000814173113 702490481 /nfs/dbraw/zinc/49/04/81/702490481.db2.gz GGXAZBPYYUZVSC-AEFFLSMTSA-N 1 1 301.434 1.659 20 10 DDCDMO C[N@H+]1C[C@H]2CCN(Cc3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC000814173113 702490486 /nfs/dbraw/zinc/49/04/86/702490486.db2.gz GGXAZBPYYUZVSC-AEFFLSMTSA-N 1 1 301.434 1.659 20 10 DDCDMO CN(C)c1ccc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817896448 702511440 /nfs/dbraw/zinc/51/14/40/702511440.db2.gz IRRCBTVFFYHZMC-OKZBNKHCSA-N 1 1 303.450 1.999 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@]3(CCSC3)C1)[C@H](O)CO2 ZINC000842620799 702743550 /nfs/dbraw/zinc/74/35/50/702743550.db2.gz ULQIKLQFDCELCU-ZBFHGGJFSA-N 1 1 323.414 1.526 20 10 DDCDMO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843123606 702824360 /nfs/dbraw/zinc/82/43/60/702824360.db2.gz SOIWJGUZDGBERZ-LLVKDONJSA-N 1 1 313.804 1.664 20 10 DDCDMO CC[N@@H+](C)C[C@H](O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844611 703340917 /nfs/dbraw/zinc/34/09/17/703340917.db2.gz HSMPDMHOGZCRGL-CRAIPNDOSA-N 1 1 321.465 1.486 20 10 DDCDMO CCN(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844611 703340920 /nfs/dbraw/zinc/34/09/20/703340920.db2.gz HSMPDMHOGZCRGL-CRAIPNDOSA-N 1 1 321.465 1.486 20 10 DDCDMO Cn1nnc2c1CC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C2 ZINC000848564653 703563457 /nfs/dbraw/zinc/56/34/57/703563457.db2.gz ARVFDWMTPNJRAX-QMMMGPOBSA-N 1 1 310.760 1.960 20 10 DDCDMO COc1ccc(N2CCC[N@@H+](C[C@H]3CNC(=O)C3)CC2)cc1 ZINC000851733561 703839658 /nfs/dbraw/zinc/83/96/58/703839658.db2.gz ZPSJMVWOOVTFMI-CQSZACIVSA-N 1 1 303.406 1.343 20 10 DDCDMO C[N@@H+](C[C@@H](O)CNCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000819094645 704069063 /nfs/dbraw/zinc/06/90/63/704069063.db2.gz JQMURZPFXRMNAP-SFHVURJKSA-N 1 1 301.434 1.608 20 10 DDCDMO CN(C[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000819094645 704069065 /nfs/dbraw/zinc/06/90/65/704069065.db2.gz JQMURZPFXRMNAP-SFHVURJKSA-N 1 1 301.434 1.608 20 10 DDCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1CO ZINC000857062127 704549355 /nfs/dbraw/zinc/54/93/55/704549355.db2.gz YIHYJSDFRYGOLW-NVXWUHKLSA-N 1 1 304.434 1.974 20 10 DDCDMO NC(=O)N=Nc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000874238637 704978151 /nfs/dbraw/zinc/97/81/51/704978151.db2.gz KKOOABQYGBCVMA-UHFFFAOYSA-N 1 1 301.350 1.769 20 10 DDCDMO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000824636524 705497537 /nfs/dbraw/zinc/49/75/37/705497537.db2.gz ROHHKSLMNCKRGK-VXGBXAGGSA-N 1 1 310.350 1.902 20 10 DDCDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000824636524 705497540 /nfs/dbraw/zinc/49/75/40/705497540.db2.gz ROHHKSLMNCKRGK-VXGBXAGGSA-N 1 1 310.350 1.902 20 10 DDCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1Cl ZINC000824836085 705538846 /nfs/dbraw/zinc/53/88/46/705538846.db2.gz IGVQFFIOEFOOFF-LLVKDONJSA-N 1 1 318.826 1.478 20 10 DDCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1Cl ZINC000824836085 705538850 /nfs/dbraw/zinc/53/88/50/705538850.db2.gz IGVQFFIOEFOOFF-LLVKDONJSA-N 1 1 318.826 1.478 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1 ZINC000825278272 705638346 /nfs/dbraw/zinc/63/83/46/705638346.db2.gz AVIKPCHUNDCNQL-ZDUSSCGKSA-N 1 1 307.394 1.636 20 10 DDCDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000862550041 705731248 /nfs/dbraw/zinc/73/12/48/705731248.db2.gz BGDFOFDKVSTLGB-CYBMUJFWSA-N 1 1 312.435 1.462 20 10 DDCDMO OCC1(CO)CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000827482624 706011354 /nfs/dbraw/zinc/01/13/54/706011354.db2.gz YEIUENFBJLDBDF-UHFFFAOYSA-N 1 1 316.195 1.331 20 10 DDCDMO OCC1(CO)CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000827482624 706011357 /nfs/dbraw/zinc/01/13/57/706011357.db2.gz YEIUENFBJLDBDF-UHFFFAOYSA-N 1 1 316.195 1.331 20 10 DDCDMO COc1cccc(O)c1C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000827515308 706017841 /nfs/dbraw/zinc/01/78/41/706017841.db2.gz BELUTMPCCKWLNB-UHFFFAOYSA-N 1 1 320.433 1.945 20 10 DDCDMO COc1c(O)c(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000827692263 706051015 /nfs/dbraw/zinc/05/10/15/706051015.db2.gz HCBAZNSYNGGUEW-BMIGLBTASA-N 1 1 310.350 1.759 20 10 DDCDMO COc1c(O)c(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000827692263 706051017 /nfs/dbraw/zinc/05/10/17/706051017.db2.gz HCBAZNSYNGGUEW-BMIGLBTASA-N 1 1 310.350 1.759 20 10 DDCDMO COCCC[N@@H+](CCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877462075 706113599 /nfs/dbraw/zinc/11/35/99/706113599.db2.gz NLXCYVDDZQXWMX-UHFFFAOYSA-N 1 1 322.449 1.479 20 10 DDCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O ZINC000877517085 706129925 /nfs/dbraw/zinc/12/99/25/706129925.db2.gz ITAUCJFENLXTEQ-SJCJKPOMSA-N 1 1 317.389 1.653 20 10 DDCDMO COc1cccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c1O ZINC000877526857 706132241 /nfs/dbraw/zinc/13/22/41/706132241.db2.gz VVKFLMVERJGKSH-UHFFFAOYSA-N 1 1 308.422 1.726 20 10 DDCDMO COCC(COC)[NH+]1CCN(Cc2ccc(C)cc2O)CC1 ZINC000877587813 706151116 /nfs/dbraw/zinc/15/11/16/706151116.db2.gz REZYOBRZVCKYRQ-UHFFFAOYSA-N 1 1 308.422 1.480 20 10 DDCDMO OC1CCN(c2ccc(C[N@@H+]3CCc4nccnc4C3)cc2)CC1 ZINC000877636623 706166076 /nfs/dbraw/zinc/16/60/76/706166076.db2.gz FCWOURSTSUNKMY-UHFFFAOYSA-N 1 1 324.428 1.996 20 10 DDCDMO OC1CCN(c2ccc(C[N@H+]3CCc4nccnc4C3)cc2)CC1 ZINC000877636623 706166079 /nfs/dbraw/zinc/16/60/79/706166079.db2.gz FCWOURSTSUNKMY-UHFFFAOYSA-N 1 1 324.428 1.996 20 10 DDCDMO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000877713507 706185646 /nfs/dbraw/zinc/18/56/46/706185646.db2.gz HEAGYJYILNKOIT-OAHLLOKOSA-N 1 1 324.764 1.939 20 10 DDCDMO C[C@@H]1[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CO[C@H]1C ZINC000926855727 712913432 /nfs/dbraw/zinc/91/34/32/712913432.db2.gz WAFIXJPOMXUDMA-MPGHIAIKSA-N 1 1 303.450 1.951 20 10 DDCDMO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834592331 707091170 /nfs/dbraw/zinc/09/11/70/707091170.db2.gz LYOGPCCTCZTJEX-RDJPRVRMSA-N 1 1 320.364 1.756 20 10 DDCDMO C[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC[N@H+]1CCO ZINC000835044958 707161150 /nfs/dbraw/zinc/16/11/50/707161150.db2.gz DYNFPGKJGIZSLF-AWFCHZOYSA-N 1 1 303.450 1.764 20 10 DDCDMO C[C@H]1C[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CCN1CCO ZINC000835044958 707161157 /nfs/dbraw/zinc/16/11/57/707161157.db2.gz DYNFPGKJGIZSLF-AWFCHZOYSA-N 1 1 303.450 1.764 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000835048759 707162121 /nfs/dbraw/zinc/16/21/21/707162121.db2.gz XXXOILRPBXIHKK-OAJJDEHYSA-N 1 1 301.434 1.782 20 10 DDCDMO [O-]c1cccc(F)c1CNCc1cn(C[C@@H]2CCCO2)nn1 ZINC000896640034 708105176 /nfs/dbraw/zinc/10/51/76/708105176.db2.gz FYVGNKOTNFANOS-LBPRGKRZSA-N 1 1 306.341 1.592 20 10 DDCDMO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1c(O)cccc1F ZINC000886549140 708776329 /nfs/dbraw/zinc/77/63/29/708776329.db2.gz CBTGGVPPZXERBE-JTQLQIEISA-N 1 1 305.371 1.243 20 10 DDCDMO COC(=O)c1cn(CC[NH2+][C@@H](C)c2c(O)cccc2F)nn1 ZINC000886607817 708792568 /nfs/dbraw/zinc/79/25/68/708792568.db2.gz ZHDCPSWQPBBZKJ-VIFPVBQESA-N 1 1 308.313 1.260 20 10 DDCDMO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886617455 708795231 /nfs/dbraw/zinc/79/52/31/708795231.db2.gz ONSYHAQFYBWNJQ-UWVGGRQHSA-N 1 1 304.387 1.510 20 10 DDCDMO OCCCC[NH+]1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000894022261 710931410 /nfs/dbraw/zinc/93/14/10/710931410.db2.gz WYQJYSMWRHBEMI-UHFFFAOYSA-N 1 1 300.349 1.561 20 10 DDCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000895087289 711403600 /nfs/dbraw/zinc/40/36/00/711403600.db2.gz CCHTVCJQDCLNMG-CHWSQXEVSA-N 1 1 309.362 1.065 20 10 DDCDMO CCOc1cccc(C[N@@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)c1O ZINC000895576242 711547845 /nfs/dbraw/zinc/54/78/45/711547845.db2.gz LNTRKCGQOSZOSG-GASCZTMLSA-N 1 1 304.390 1.701 20 10 DDCDMO COc1ccc(C[N@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)c(O)c1OC ZINC000896071932 711672058 /nfs/dbraw/zinc/67/20/58/711672058.db2.gz CBVRLILNFDQMBM-GRYCIOLGSA-N 1 1 322.405 1.849 20 10 DDCDMO COc1ccc(C[N@@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)c(O)c1OC ZINC000896071932 711672060 /nfs/dbraw/zinc/67/20/60/711672060.db2.gz CBVRLILNFDQMBM-GRYCIOLGSA-N 1 1 322.405 1.849 20 10 DDCDMO Nc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)nn1 ZINC000904333782 711842520 /nfs/dbraw/zinc/84/25/20/711842520.db2.gz GKPRQGSOFAAKKD-OAHLLOKOSA-N 1 1 314.389 1.946 20 10 DDCDMO Cn1nccc1[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000905735818 712135129 /nfs/dbraw/zinc/13/51/29/712135129.db2.gz OTHUFVKBPNNEJU-GOEBONIOSA-N 1 1 315.373 1.889 20 10 DDCDMO CC(C)N1CCC[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000923891192 714485419 /nfs/dbraw/zinc/48/54/19/714485419.db2.gz DSENNOVCOZTMBB-GFCCVEGCSA-N 1 1 307.346 1.697 20 10 DDCDMO CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001035626927 751698160 /nfs/dbraw/zinc/69/81/60/751698160.db2.gz ZXLIABKKTIPTAF-CYBMUJFWSA-N 1 1 319.365 1.300 20 10 DDCDMO CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001035626927 751698164 /nfs/dbraw/zinc/69/81/64/751698164.db2.gz ZXLIABKKTIPTAF-CYBMUJFWSA-N 1 1 319.365 1.300 20 10 DDCDMO CCN(C)C(=O)CO[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC001203561967 743805291 /nfs/dbraw/zinc/80/52/91/743805291.db2.gz ACQSQGNEDVMQME-OAHLLOKOSA-N 1 1 306.406 1.852 20 10 DDCDMO CC(C)NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203879966 747194992 /nfs/dbraw/zinc/19/49/92/747194992.db2.gz HQXZMEHBHBLKPP-ZDUSSCGKSA-N 1 1 307.394 1.770 20 10 DDCDMO CC(C)NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203879966 747194996 /nfs/dbraw/zinc/19/49/96/747194996.db2.gz HQXZMEHBHBLKPP-ZDUSSCGKSA-N 1 1 307.394 1.770 20 10 DDCDMO CCOCc1cc(C[NH2+]CCc2n[nH]c(C)n2)ccc1OC ZINC001201512709 748531374 /nfs/dbraw/zinc/53/13/74/748531374.db2.gz 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COc1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3CC(=O)N(C)C)c(C)c1 ZINC001277018537 881676407 /nfs/dbraw/zinc/67/64/07/881676407.db2.gz LTMSZGTYTZCVMQ-IRXDYDNUSA-N 1 1 317.433 1.745 20 10 DDCDMO CCOC[C@H]1C[N@H+](Cc2ccccc2O)Cc2nnn(C)c21 ZINC001203552367 870636824 /nfs/dbraw/zinc/63/68/24/870636824.db2.gz LGPJNGFVBMOIRI-CYBMUJFWSA-N 1 1 302.378 1.657 20 10 DDCDMO CCOC[C@H]1C[N@@H+](Cc2ccccc2O)Cc2nnn(C)c21 ZINC001203552367 870636828 /nfs/dbraw/zinc/63/68/28/870636828.db2.gz LGPJNGFVBMOIRI-CYBMUJFWSA-N 1 1 302.378 1.657 20 10 DDCDMO CN1CCO[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)C[C@H]21 ZINC001204327815 871056637 /nfs/dbraw/zinc/05/66/37/871056637.db2.gz JHAAAXYKDNDEPW-MSOLQXFVSA-N 1 1 301.434 1.802 20 10 DDCDMO COc1cc(C)c(C[NH+]2CC(n3cc([C@@H](C)O)nn3)C2)c(O)c1 ZINC001205269632 871473357 /nfs/dbraw/zinc/47/33/57/871473357.db2.gz MFKHDSSNLTWWKW-LLVKDONJSA-N 1 1 318.377 1.411 20 10 DDCDMO Cc1cc(NC(=O)NCCc2ccc(O)c(O)c2)cc(C)[nH+]1 ZINC001319424844 872621499 /nfs/dbraw/zinc/62/14/99/872621499.db2.gz HGDWOZWOGBPSQN-UHFFFAOYSA-N 1 1 301.346 1.896 20 10 DDCDMO COc1cc(C)c(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222511051 880527088 /nfs/dbraw/zinc/52/70/88/880527088.db2.gz MAWLECWTANEICU-HOTGVXAUSA-N 1 1 305.422 1.235 20 10 DDCDMO Cc1cc(F)cc(CN2CCNC[C@]3(CCCC[NH2+]3)C2)c1O ZINC001222691311 880655293 /nfs/dbraw/zinc/65/52/93/880655293.db2.gz IFZQTWSUEDXEDX-QGZVFWFLSA-N 1 1 307.413 1.757 20 10 DDCDMO COCCN(C)C(=O)[C@@H]1CC12C[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001276915077 881079975 /nfs/dbraw/zinc/07/99/75/881079975.db2.gz YHFQGOUTTDHJKM-ZDUSSCGKSA-N 1 1 320.389 1.025 20 10 DDCDMO NC(=O)[C@@H]1CC12C[NH+](Cc1cc(Br)ccc1O)C2 ZINC001277457387 884516821 /nfs/dbraw/zinc/51/68/21/884516821.db2.gz MWYMSOZBLCFSIB-JTQLQIEISA-N 1 1 311.179 1.462 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(O)cc1O ZINC001231634307 885773148 /nfs/dbraw/zinc/77/31/48/885773148.db2.gz LBGKXSLQRBPUHV-CYBMUJFWSA-N 1 1 321.295 1.853 20 10 DDCDMO O=C1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]2CCCN12 ZINC001232266118 886199411 /nfs/dbraw/zinc/19/94/11/886199411.db2.gz QQOHGJYHGOUZFL-NSHDSACASA-N 1 1 310.781 1.948 20 10 DDCDMO O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1C[N@H+](Cc1cc(O)ccc1O)C2 ZINC001277656446 886320470 /nfs/dbraw/zinc/32/04/70/886320470.db2.gz CKMZWDVUDGKWJX-BDJLRTHQSA-N 1 1 314.345 1.282 20 10 DDCDMO CCC(=O)N(C)C1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233016252 886731545 /nfs/dbraw/zinc/73/15/45/886731545.db2.gz QKMXOJNQEXEBMI-UHFFFAOYSA-N 1 1 308.378 1.636 20 10 DDCDMO O=c1ccc2c([nH]1)CC[N@H+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233016769 886731711 /nfs/dbraw/zinc/73/17/11/886731711.db2.gz NQRSGFRAJLCQIH-UHFFFAOYSA-N 1 1 302.330 1.505 20 10 DDCDMO COC(=O)[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1N ZINC001236361128 889217309 /nfs/dbraw/zinc/21/73/09/889217309.db2.gz XJMSEXQCCGSXAC-GJZGRUSLSA-N 1 1 300.358 1.478 20 10 DDCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)C[C@@H]1N ZINC001236361128 889217320 /nfs/dbraw/zinc/21/73/20/889217320.db2.gz XJMSEXQCCGSXAC-GJZGRUSLSA-N 1 1 300.358 1.478 20 10 DDCDMO 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310.350 1.902 20 10 DDCDMO Oc1c(F)cccc1C[NH2+]C[C@@]1(N2CCOCC2)CCCOC1 ZINC000361053673 418573178 /nfs/dbraw/zinc/57/31/78/418573178.db2.gz RODCNNAQKMYZJU-KRWDZBQOSA-N 1 1 324.396 1.502 20 10 DDCDMO Cc1cccc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1O ZINC000367725817 418627436 /nfs/dbraw/zinc/62/74/36/418627436.db2.gz RTUOHJTWRFPXEO-AWEZNQCLSA-N 1 1 310.419 1.357 20 10 DDCDMO Cn1ccc(N2CC[C@H]([N@@H+](C)Cc3ccccc3O)C2=O)n1 ZINC000369417684 418733379 /nfs/dbraw/zinc/73/33/79/418733379.db2.gz DAHIISOTWQYFMK-ZDUSSCGKSA-N 1 1 300.362 1.363 20 10 DDCDMO CCOc1cccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)c1O ZINC000370368591 418743844 /nfs/dbraw/zinc/74/38/44/418743844.db2.gz VGUFDVAFDPFGLH-ZIAGYGMSSA-N 1 1 323.389 1.943 20 10 DDCDMO CCOc1cccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)c1O ZINC000370368591 418743846 /nfs/dbraw/zinc/74/38/46/418743846.db2.gz VGUFDVAFDPFGLH-ZIAGYGMSSA-N 1 1 323.389 1.943 20 10 DDCDMO COc1cc([N+](=O)[O-])c(N2CC[N@@H+]3CCOC[C@H]3C2)cc1OC ZINC000371808029 418817930 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CCO[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000076405330 696429521 /nfs/dbraw/zinc/42/95/21/696429521.db2.gz LDBCUGPZAHQBBN-KRWDZBQOSA-N 1 1 319.449 1.870 20 10 DDCDMO Cc1cc(O)c(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1C ZINC000119785641 696685570 /nfs/dbraw/zinc/68/55/70/696685570.db2.gz QKWXCHMDDJVKPE-KRWDZBQOSA-N 1 1 318.417 1.832 20 10 DDCDMO COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000129078305 696784763 /nfs/dbraw/zinc/78/47/63/696784763.db2.gz ZBRUTPMSBYGDIT-DGCLKSJQSA-N 1 1 319.405 1.825 20 10 DDCDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000159580953 697310711 /nfs/dbraw/zinc/31/07/11/697310711.db2.gz YSKGXPSUWCHWDF-HOCLYGCPSA-N 1 1 317.433 1.609 20 10 DDCDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180754395 697451799 /nfs/dbraw/zinc/45/17/99/697451799.db2.gz WZRWKEACAPDMJN-HZRUHFOJSA-N 1 1 320.389 1.338 20 10 DDCDMO O=C1OCCN1CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000749295979 700155214 /nfs/dbraw/zinc/15/52/14/700155214.db2.gz 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CC(=O)c1cc(F)cc(CN2CCN(c3[nH]cc[nH+]3)CC2)c1O ZINC000788005489 699265913 /nfs/dbraw/zinc/26/59/13/699265913.db2.gz ZDFLDSUONQPEOS-UHFFFAOYSA-N 1 1 318.352 1.779 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]C[C@H]3CC[C@H](O)C3)cc2)CC1 ZINC000788971563 699352162 /nfs/dbraw/zinc/35/21/62/699352162.db2.gz NMVBWQVHIOQMRG-WMZOPIPTSA-N 1 1 303.450 1.689 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@]3(C1)CCCOC3)[C@@H](O)CO2 ZINC000789543852 699394122 /nfs/dbraw/zinc/39/41/22/699394122.db2.gz CNNKMLHPOXRODV-DOTOQJQBSA-N 1 1 305.374 1.821 20 10 DDCDMO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000793693256 699772612 /nfs/dbraw/zinc/77/26/12/699772612.db2.gz BNOMAPUNUGQNIM-LBPRGKRZSA-N 1 1 309.431 1.747 20 10 DDCDMO COC(=O)C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000751952246 700330428 /nfs/dbraw/zinc/33/04/28/700330428.db2.gz YLZYVKCGKJXJBC-CYBMUJFWSA-N 1 1 316.357 1.704 20 10 DDCDMO COC(=O)C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000751952246 700330433 /nfs/dbraw/zinc/33/04/33/700330433.db2.gz YLZYVKCGKJXJBC-CYBMUJFWSA-N 1 1 316.357 1.704 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@@H](C)[S@@](C)=O)c1 ZINC000756757456 700639635 /nfs/dbraw/zinc/63/96/35/700639635.db2.gz CEDKGFDJKAWFOM-NNUHMIRASA-N 1 1 313.419 1.987 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)[S@@](C)=O)c1 ZINC000756757460 700639779 /nfs/dbraw/zinc/63/97/79/700639779.db2.gz CEDKGFDJKAWFOM-ZPMVXHMNSA-N 1 1 313.419 1.987 20 10 DDCDMO COc1cc(Cl)cc(C[NH2+]Cc2cc(C(N)=O)no2)c1O ZINC000761215840 700850683 /nfs/dbraw/zinc/85/06/83/700850683.db2.gz MRKLEDPJLCEGMZ-UHFFFAOYSA-N 1 1 311.725 1.431 20 10 DDCDMO C[C@@H](Cc1[nH]cc[nH+]1)OCC(=O)NCc1ccc(N(C)C)cc1 ZINC000764988708 700994226 /nfs/dbraw/zinc/99/42/26/700994226.db2.gz DZMPCRMFBRJHQP-ZDUSSCGKSA-N 1 1 316.405 1.740 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000769493470 701247338 /nfs/dbraw/zinc/24/73/38/701247338.db2.gz STMTXCKJGLLRBK-CQSZACIVSA-N 1 1 306.406 1.555 20 10 DDCDMO CCOc1ccc(C[NH2+]Cc2nnnn2CC2CC2)c(O)c1 ZINC000769936689 701261270 /nfs/dbraw/zinc/26/12/70/701261270.db2.gz NLBQPOMOIXHGSF-UHFFFAOYSA-N 1 1 303.366 1.477 20 10 DDCDMO COCC[C@@H](COC)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000810174009 701739534 /nfs/dbraw/zinc/73/95/34/701739534.db2.gz NHGUFGOXDJLBBE-KRWDZBQOSA-N 1 1 321.465 1.580 20 10 DDCDMO C[C@@H]([NH2+]CCc1nnnn1C)c1cccc(C(F)(F)F)c1O ZINC000815590386 701900505 /nfs/dbraw/zinc/90/05/05/701900505.db2.gz UQXALETWMHVEDV-MRVPVSSYSA-N 1 1 315.299 1.828 20 10 DDCDMO COCC[C@@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000812299552 702142749 /nfs/dbraw/zinc/14/27/49/702142749.db2.gz MQZONZAFRIZUED-DOMZBBRYSA-N 1 1 309.362 1.055 20 10 DDCDMO COCC[C@@H]1COCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000812299552 702142750 /nfs/dbraw/zinc/14/27/50/702142750.db2.gz MQZONZAFRIZUED-DOMZBBRYSA-N 1 1 309.362 1.055 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](O)C2(C)C)cc1 ZINC000812865968 702253780 /nfs/dbraw/zinc/25/37/80/702253780.db2.gz UUNCJTCPPRHBIR-INIZCTEOSA-N 1 1 319.449 1.556 20 10 DDCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(C(N)=O)cc2)cc1 ZINC000841044214 702321091 /nfs/dbraw/zinc/32/10/91/702321091.db2.gz ULTDIJYOOPEGAF-KRWDZBQOSA-N 1 1 312.417 1.641 20 10 DDCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cccc(C(N)=O)c2)cc1 ZINC000841042847 702321296 /nfs/dbraw/zinc/32/12/96/702321296.db2.gz LUKHKHJZKBWYKN-KRWDZBQOSA-N 1 1 312.417 1.641 20 10 DDCDMO CCN(C)c1ccc(C[N@@H+](C)CC(=O)N2CCN(C)CC2)cc1 ZINC000879355830 706659334 /nfs/dbraw/zinc/65/93/34/706659334.db2.gz OSMLNYOLIAAXPT-UHFFFAOYSA-N 1 1 318.465 1.349 20 10 DDCDMO CN1CCN(c2ccc(CN[C@H](CC[NH3+])C(F)F)cc2)CC1 ZINC000841075217 702336537 /nfs/dbraw/zinc/33/65/37/702336537.db2.gz YPPIRJZGYLGUAW-OAHLLOKOSA-N 1 1 312.408 1.511 20 10 DDCDMO CC(C)[C@H](CNC(=O)Nc1ccc(N)cc1)N1CC[NH+](C)CC1 ZINC000841302045 702417531 /nfs/dbraw/zinc/41/75/31/702417531.db2.gz JUEUGAGOKCTUFM-INIZCTEOSA-N 1 1 319.453 1.662 20 10 DDCDMO C[C@@H]1C[C@@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)CN1C1CC1 ZINC000817942791 702530997 /nfs/dbraw/zinc/53/09/97/702530997.db2.gz QZOIAZGKXCBWFD-SIIHOXLZSA-N 1 1 302.466 1.967 20 10 DDCDMO Cc1cc(N(C)C)ccc1CNC(=O)NCC(F)(F)C[NH3+] ZINC000841824396 702573116 /nfs/dbraw/zinc/57/31/16/702573116.db2.gz NTKYYJLBMDGKLU-UHFFFAOYSA-N 1 1 300.353 1.454 20 10 DDCDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841855667 702589132 /nfs/dbraw/zinc/58/91/32/702589132.db2.gz LIUYKYRQXJRLEC-WBMJQRKESA-N 1 1 302.422 1.593 20 10 DDCDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000841891651 702608391 /nfs/dbraw/zinc/60/83/91/702608391.db2.gz NWPUFDRLBUWSSF-UONOGXRCSA-N 1 1 309.429 1.779 20 10 DDCDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843433741 702881165 /nfs/dbraw/zinc/88/11/65/702881165.db2.gz IZTUFWACQIWMHS-LUJIMGINSA-N 1 1 318.417 1.622 20 10 DDCDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000843435612 702881858 /nfs/dbraw/zinc/88/18/58/702881858.db2.gz WJTUTWZHMMISTL-YPMHNXCESA-N 1 1 313.781 1.710 20 10 DDCDMO CCN(C)c1ccc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1 ZINC000879535195 706711897 /nfs/dbraw/zinc/71/18/97/706711897.db2.gz IYMWUCNRGLVZRA-GASCZTMLSA-N 1 1 301.390 1.189 20 10 DDCDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(Br)ccc1O ZINC000846053857 703231069 /nfs/dbraw/zinc/23/10/69/703231069.db2.gz ZGFJZZQSCJCJEH-VXGBXAGGSA-N 1 1 316.195 1.736 20 10 DDCDMO COc1ccc(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)c(O)c1 ZINC000846060799 703232050 /nfs/dbraw/zinc/23/20/50/703232050.db2.gz HOOKSCJZYNWBIB-ZDUSSCGKSA-N 1 1 315.373 1.785 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCCCC[C@H]2CO)cc1 ZINC000847018804 703366513 /nfs/dbraw/zinc/36/65/13/703366513.db2.gz ZNPXAJFXADYJKW-KRWDZBQOSA-N 1 1 319.449 1.606 20 10 DDCDMO COc1ccc(N2CC[C@@H](NC(=O)CC(F)(F)C[NH3+])C2)cc1 ZINC000852843767 704144853 /nfs/dbraw/zinc/14/48/53/704144853.db2.gz GQCVBKKCYOTTPH-LLVKDONJSA-N 1 1 313.348 1.374 20 10 DDCDMO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000819582987 704145182 /nfs/dbraw/zinc/14/51/82/704145182.db2.gz RVKHURKGLAERHF-GJZGRUSLSA-N 1 1 317.433 1.589 20 10 DDCDMO COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CSC[NH2+]3)C2)cc1 ZINC000852901053 704167264 /nfs/dbraw/zinc/16/72/64/704167264.db2.gz ZJEUBPOSHSTWFY-BXUZGUMPSA-N 1 1 307.419 1.053 20 10 DDCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c1O ZINC000821322428 704390438 /nfs/dbraw/zinc/39/04/38/704390438.db2.gz HGAOSBJWRVOBON-ZDUSSCGKSA-N 1 1 308.353 1.787 20 10 DDCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c1O ZINC000821322428 704390441 /nfs/dbraw/zinc/39/04/41/704390441.db2.gz HGAOSBJWRVOBON-ZDUSSCGKSA-N 1 1 308.353 1.787 20 10 DDCDMO Cc1ccc(O)c(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000858234482 704682903 /nfs/dbraw/zinc/68/29/03/704682903.db2.gz AMMDDUKNXUSSKH-HNNXBMFYSA-N 1 1 303.406 1.984 20 10 DDCDMO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(F)cc1O ZINC000858469038 704715232 /nfs/dbraw/zinc/71/52/32/704715232.db2.gz NZRMDICPXLOTMB-RISCZKNCSA-N 1 1 309.385 1.522 20 10 DDCDMO COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000858541434 704724451 /nfs/dbraw/zinc/72/44/51/704724451.db2.gz KBAQYSDBCFHCOW-SNVBAGLBSA-N 1 1 312.341 1.251 20 10 DDCDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862395194 705709018 /nfs/dbraw/zinc/70/90/18/705709018.db2.gz PSLXMUQZPWLYNN-LLVKDONJSA-N 1 1 311.376 1.941 20 10 DDCDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(O)cccc1Br ZINC000862402053 705709931 /nfs/dbraw/zinc/70/99/31/705709931.db2.gz XOOLIGPFUNVEKQ-VHSXEESVSA-N 1 1 316.195 1.736 20 10 DDCDMO COCCOCC[N@@H+](CCO)Cc1c(O)cccc1Cl ZINC000862468319 705720416 /nfs/dbraw/zinc/72/04/16/705720416.db2.gz HBBGOZOTHWIJMF-UHFFFAOYSA-N 1 1 303.786 1.503 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000862519193 705725840 /nfs/dbraw/zinc/72/58/40/705725840.db2.gz VTHDSZRQCDVKHP-HDICACEKSA-N 1 1 306.450 1.874 20 10 DDCDMO COC1CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000827457702 706006102 /nfs/dbraw/zinc/00/61/02/706006102.db2.gz DPPXYWMIDMKXJD-IAGOWNOFSA-N 1 1 315.461 1.953 20 10 DDCDMO C[NH+]1CCC(CCO)([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877359997 706080363 /nfs/dbraw/zinc/08/03/63/706080363.db2.gz KABMFPCBLSOQQL-UHFFFAOYSA-N 1 1 300.349 1.607 20 10 DDCDMO Cc1ccc(C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)c(O)c1 ZINC000877549236 706139235 /nfs/dbraw/zinc/13/92/35/706139235.db2.gz KQVOLWZWDFWLAX-UHFFFAOYSA-N 1 1 320.414 1.980 20 10 DDCDMO Cc1ccc(C[N@H+](C)Cc2ccccc2S(N)(=O)=O)c(O)c1 ZINC000877549236 706139237 /nfs/dbraw/zinc/13/92/37/706139237.db2.gz KQVOLWZWDFWLAX-UHFFFAOYSA-N 1 1 320.414 1.980 20 10 DDCDMO COc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)on1 ZINC000877635436 706166153 /nfs/dbraw/zinc/16/61/53/706166153.db2.gz QXKLXZLCWPFAHN-UHFFFAOYSA-N 1 1 317.389 1.934 20 10 DDCDMO COc1cc(O)c(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1OC ZINC000872724417 707572384 /nfs/dbraw/zinc/57/23/84/707572384.db2.gz UEGNGGPUKAXRFD-TZMCWYRMSA-N 1 1 306.406 1.935 20 10 DDCDMO C[NH+]1CCN(c2ccc(CNc3ncnc4[nH]cnc43)cc2)CC1 ZINC000882880085 707834947 /nfs/dbraw/zinc/83/49/47/707834947.db2.gz AYUYFJZMYVSGJT-UHFFFAOYSA-N 1 1 323.404 1.668 20 10 DDCDMO COC(=O)CC1([NH2+]Cc2cc(F)cc(F)c2O)CCOCC1 ZINC000883031347 707905625 /nfs/dbraw/zinc/90/56/25/707905625.db2.gz SOMOAEXVFUNUGE-UHFFFAOYSA-N 1 1 315.316 1.872 20 10 DDCDMO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)O1 ZINC000883082422 707921333 /nfs/dbraw/zinc/92/13/33/707921333.db2.gz GBPQFKMJANJUQS-AAEUAGOBSA-N 1 1 314.332 1.396 20 10 DDCDMO CC[N@H+]1CC[C@H]1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000883242876 707959835 /nfs/dbraw/zinc/95/98/35/707959835.db2.gz UTENLLDBJAIEMZ-INIZCTEOSA-N 1 1 316.449 1.962 20 10 DDCDMO C[C@H]([NH2+]CCN(C)CCOCCO)c1ccc(F)cc1O ZINC000883350482 707981876 /nfs/dbraw/zinc/98/18/76/707981876.db2.gz HLCAHFDQGNRCTR-LBPRGKRZSA-N 1 1 300.374 1.123 20 10 DDCDMO COc1ccc(O)c(C[NH2+]C2(c3ncccn3)CCOCC2)c1 ZINC000897360626 708305111 /nfs/dbraw/zinc/30/51/11/708305111.db2.gz MELDBDULBKIEPR-UHFFFAOYSA-N 1 1 315.373 1.986 20 10 DDCDMO CN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC[N@@H+](C)CC1 ZINC000897855864 708471189 /nfs/dbraw/zinc/47/11/89/708471189.db2.gz IMYKCFUEVOYYBV-UHFFFAOYSA-N 1 1 315.820 1.864 20 10 DDCDMO COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)c1 ZINC000901127106 709937035 /nfs/dbraw/zinc/93/70/35/709937035.db2.gz HWKOZQGCTCNGQA-LYOVBCGYSA-N 1 1 308.378 1.033 20 10 DDCDMO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCN2C)[NH+](C)C)cc1 ZINC000891248599 710141216 /nfs/dbraw/zinc/14/12/16/710141216.db2.gz ZKHDLCHVTUOWRW-DLBZAZTESA-N 1 1 318.465 1.566 20 10 DDCDMO CN(C)c1ccc([C@@H](CNC(=O)CN2CCCC2)[NH+](C)C)cc1 ZINC000891248989 710141309 /nfs/dbraw/zinc/14/13/09/710141309.db2.gz ORKFPGKCTPNVEN-QGZVFWFLSA-N 1 1 318.465 1.567 20 10 DDCDMO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(C)C)c(O)c1OC ZINC000893881259 710872896 /nfs/dbraw/zinc/87/28/96/710872896.db2.gz AMJCGEUFEVDOAD-ZDUSSCGKSA-N 1 1 322.405 1.756 20 10 DDCDMO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(C)C)c(O)c1OC ZINC000893881259 710872899 /nfs/dbraw/zinc/87/28/99/710872899.db2.gz AMJCGEUFEVDOAD-ZDUSSCGKSA-N 1 1 322.405 1.756 20 10 DDCDMO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CCS(=O)(=O)C1 ZINC000903365412 711105659 /nfs/dbraw/zinc/10/56/59/711105659.db2.gz NCXZTHXAVAQUOM-IINYFYTJSA-N 1 1 317.382 1.386 20 10 DDCDMO CC1=NO[C@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000895306265 711479856 /nfs/dbraw/zinc/47/98/56/711479856.db2.gz BVARBARLIWMHKG-KRWDZBQOSA-N 1 1 302.422 1.693 20 10 DDCDMO CN(C)c1cc(F)c(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)cc1F ZINC000895323698 711484036 /nfs/dbraw/zinc/48/40/36/711484036.db2.gz GHVZUWCGMQGLSU-ABAIWWIYSA-N 1 1 300.349 1.348 20 10 DDCDMO CN(C)c1cc(F)c(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)cc1F ZINC000895323698 711484038 /nfs/dbraw/zinc/48/40/38/711484038.db2.gz GHVZUWCGMQGLSU-ABAIWWIYSA-N 1 1 300.349 1.348 20 10 DDCDMO OCCC[N@@H+]1CCC[C@@H]1CNCc1ccc2c(c1)CCCO2 ZINC000922154940 713976625 /nfs/dbraw/zinc/97/66/25/713976625.db2.gz PDHGHUCDLSQLMX-QGZVFWFLSA-N 1 1 304.434 1.948 20 10 DDCDMO OCCC[N@H+]1CCC[C@@H]1CNCc1ccc2c(c1)CCCO2 ZINC000922154940 713976627 /nfs/dbraw/zinc/97/66/27/713976627.db2.gz PDHGHUCDLSQLMX-QGZVFWFLSA-N 1 1 304.434 1.948 20 10 DDCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000931997713 714228162 /nfs/dbraw/zinc/22/81/62/714228162.db2.gz BIKDJCRTNKGION-INIZCTEOSA-N 1 1 318.417 1.718 20 10 DDCDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(O)c(O)c3Cl)C[C@H]21 ZINC001193232483 746024337 /nfs/dbraw/zinc/02/43/37/746024337.db2.gz LEQBERXEWKXXSM-MWLCHTKSSA-N 1 1 310.781 1.917 20 10 DDCDMO Oc1cccc(NC(=S)NCCC[NH+]2CCOCC2)c1O ZINC001199950391 748049963 /nfs/dbraw/zinc/04/99/63/748049963.db2.gz XSSXRLLXYNDBCW-UHFFFAOYSA-N 1 1 311.407 1.107 20 10 DDCDMO CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515452 772558362 /nfs/dbraw/zinc/55/83/62/772558362.db2.gz OZKWUJCHTSCGLV-MRXNPFEDSA-N 1 1 309.362 1.969 20 10 DDCDMO C[NH+]1CCN(CCCC[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC001119440091 781455331 /nfs/dbraw/zinc/45/53/31/781455331.db2.gz BVGYUEUGGSUATP-UHFFFAOYSA-N 1 1 313.392 1.788 20 10 DDCDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001270070022 842269301 /nfs/dbraw/zinc/26/93/01/842269301.db2.gz SJDNUTASDDLPBV-INIZCTEOSA-N 1 1 306.362 1.361 20 10 DDCDMO Oc1cc(O)c(CCNc2nc(Cl)nc3c2C[NH2+]C3)cc1O ZINC001168008701 843033958 /nfs/dbraw/zinc/03/39/58/843033958.db2.gz BYEVKRNGSNKFKA-UHFFFAOYSA-N 1 1 322.752 1.505 20 10 DDCDMO COc1ccc(CNC(=O)c2cc(C[NH+](C)C)on2)c(O)c1 ZINC001326891751 861691872 /nfs/dbraw/zinc/69/18/72/861691872.db2.gz LCMKPQBYYXOOKV-UHFFFAOYSA-N 1 1 305.334 1.380 20 10 DDCDMO Oc1ccc(O)c(C[NH+]2CC3(CCN3Cc3cn[nH]c3)C2)c1 ZINC001275419014 853097610 /nfs/dbraw/zinc/09/76/10/853097610.db2.gz PWULRYOPGIPDMQ-UHFFFAOYSA-N 1 1 300.362 1.281 20 10 DDCDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660202 860669849 /nfs/dbraw/zinc/66/98/49/860669849.db2.gz JMUGUFKPCYJTCK-AWEZNQCLSA-N 1 1 322.380 1.657 20 10 DDCDMO COC(=O)CC[C@@H]1COCC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140751212 860691139 /nfs/dbraw/zinc/69/11/39/860691139.db2.gz NOIMFZMMMAXJHR-CYBMUJFWSA-N 1 1 309.362 1.560 20 10 DDCDMO COC(=O)CC[C@@H]1COCC[N@H+]1Cc1ccc(O)c(C)c1O ZINC001140751212 860691141 /nfs/dbraw/zinc/69/11/41/860691141.db2.gz NOIMFZMMMAXJHR-CYBMUJFWSA-N 1 1 309.362 1.560 20 10 DDCDMO Cc1c(O)ccc(C[NH+]2CCN(C(=O)C3CCC3)CC2)c1O ZINC001140749257 860691220 /nfs/dbraw/zinc/69/12/20/860691220.db2.gz UIUMBGLYBOZOFP-UHFFFAOYSA-N 1 1 304.390 1.851 20 10 DDCDMO CCNC(=O)CO[C@@H]1CCC[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140748842 860691506 /nfs/dbraw/zinc/69/15/06/860691506.db2.gz LXGVVICIPAXUJQ-CQSZACIVSA-N 1 1 322.405 1.523 20 10 DDCDMO CCN(CC)c1ccc(C[N@@H+]2CCC(=O)N(C)CC2)c(O)c1 ZINC001140854787 860713002 /nfs/dbraw/zinc/71/30/02/860713002.db2.gz ASRQMMPGUSPLGK-UHFFFAOYSA-N 1 1 305.422 1.903 20 10 DDCDMO COC[C@]12COC[C@H]1C[N@@H+](Cc1c(O)cc(OC)cc1OC)C2 ZINC001141026886 860765472 /nfs/dbraw/zinc/76/54/72/860765472.db2.gz GRICSWPWZXHSIE-SJKOYZFVSA-N 1 1 323.389 1.504 20 10 DDCDMO CN1CCOc2cc(C[N@H+]3CC[C@@]4(CCNC4=O)C3)ccc21 ZINC001141142306 860793571 /nfs/dbraw/zinc/79/35/71/860793571.db2.gz 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CN(C)c1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1 ZINC000092071024 353843501 /nfs/dbraw/zinc/84/35/01/353843501.db2.gz OLURWPSLKHTQIZ-MRXNPFEDSA-N 1 1 323.462 1.409 20 10 DDCDMO CCN1CCN([C@@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)CC1 ZINC000093133250 193206269 /nfs/dbraw/zinc/20/62/69/193206269.db2.gz JWSDOKUBEGKWSL-QGZVFWFLSA-N 1 1 303.450 1.912 20 10 DDCDMO CCN1CCN([C@@H]2CC[N@@H+](Cc3cc(C)ccc3O)C2)CC1 ZINC000093133250 193206271 /nfs/dbraw/zinc/20/62/71/193206271.db2.gz JWSDOKUBEGKWSL-QGZVFWFLSA-N 1 1 303.450 1.912 20 10 DDCDMO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1O ZINC000273611424 130143969 /nfs/dbraw/zinc/14/39/69/130143969.db2.gz WANHEFBEDFWSRC-CMPLNLGQSA-N 1 1 316.398 1.606 20 10 DDCDMO COc1ccc(O)c([C@H](C)[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 ZINC000377701452 286339179 /nfs/dbraw/zinc/33/91/79/286339179.db2.gz PHLVKQIVJLASDY-PSOPSSQASA-N 1 1 306.362 1.051 20 10 DDCDMO CCNC(=O)CC[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052467010 407151334 /nfs/dbraw/zinc/15/13/34/407151334.db2.gz MBJSXLMEGRMGBE-UHFFFAOYSA-N 1 1 305.422 1.734 20 10 DDCDMO COc1cccc(C[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c1O ZINC000064620223 407238313 /nfs/dbraw/zinc/23/83/13/407238313.db2.gz JZDQRADDWQNJQA-INIZCTEOSA-N 1 1 321.465 1.762 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCn2cccn2)cc1 ZINC000111280077 407406383 /nfs/dbraw/zinc/40/63/83/407406383.db2.gz HAOOUZAIHOPEAN-UHFFFAOYSA-N 1 1 315.421 1.197 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCn2cccn2)cc1 ZINC000111280077 407406384 /nfs/dbraw/zinc/40/63/84/407406384.db2.gz HAOOUZAIHOPEAN-UHFFFAOYSA-N 1 1 315.421 1.197 20 10 DDCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000271055311 407489415 /nfs/dbraw/zinc/48/94/15/407489415.db2.gz ABXWTVADUVEIMJ-NSHDSACASA-N 1 1 309.362 1.794 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1CN1CCOCC1)OCO2 ZINC000173371769 407878784 /nfs/dbraw/zinc/87/87/84/407878784.db2.gz CVGQQLBPBZCYGE-CQSZACIVSA-N 1 1 320.389 1.418 20 10 DDCDMO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C[C@@H](C)OC ZINC000291111207 408859206 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CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093054906 696598859 /nfs/dbraw/zinc/59/88/59/696598859.db2.gz CDWSGDSFXAKBPX-QGZVFWFLSA-N 1 1 317.433 1.480 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)c1 ZINC000093384994 696600573 /nfs/dbraw/zinc/60/05/73/696600573.db2.gz TUMUQZFCPIMUMU-NSHDSACASA-N 1 1 301.408 1.656 20 10 DDCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)c1 ZINC000093384994 696600574 /nfs/dbraw/zinc/60/05/74/696600574.db2.gz TUMUQZFCPIMUMU-NSHDSACASA-N 1 1 301.408 1.656 20 10 DDCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000103134723 696612864 /nfs/dbraw/zinc/61/28/64/696612864.db2.gz HDDQMWDHYWLBSM-MRXNPFEDSA-N 1 1 301.342 1.919 20 10 DDCDMO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000115810395 696666328 /nfs/dbraw/zinc/66/63/28/696666328.db2.gz YXJQTDQFKQADAZ-INIZCTEOSA-N 1 1 304.438 1.954 20 10 DDCDMO CC(=O)c1cc(F)cc(CN2CC[NH+](CC(C)(C)O)CC2)c1O ZINC000117106616 696670084 /nfs/dbraw/zinc/67/00/84/696670084.db2.gz 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OCc1cn(CCC[NH2+]Cc2c(O)ccc(Cl)c2F)nn1 ZINC000810162468 701738764 /nfs/dbraw/zinc/73/87/64/701738764.db2.gz JJZJRTMWZLQELO-UHFFFAOYSA-N 1 1 314.748 1.448 20 10 DDCDMO COCCN1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)CC1=O ZINC000815100551 701799045 /nfs/dbraw/zinc/79/90/45/701799045.db2.gz QXGKRZSJRIYZFT-UHFFFAOYSA-N 1 1 319.449 1.742 20 10 DDCDMO COCCN1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)CC1=O ZINC000815100551 701799049 /nfs/dbraw/zinc/79/90/49/701799049.db2.gz QXGKRZSJRIYZFT-UHFFFAOYSA-N 1 1 319.449 1.742 20 10 DDCDMO CN1CC[NH+](C[C@@H](O)COc2ccc(N3CCCC3)cc2)CC1 ZINC000840759913 702230495 /nfs/dbraw/zinc/23/04/95/702230495.db2.gz MCDCIMQPHKPKGA-QGZVFWFLSA-N 1 1 319.449 1.274 20 10 DDCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c(Cl)c1 ZINC000840916722 702278459 /nfs/dbraw/zinc/27/84/59/702278459.db2.gz DQXCTYCTOHZPLG-JTQLQIEISA-N 1 1 318.826 1.478 20 10 DDCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c(Cl)c1 ZINC000840916722 702278462 /nfs/dbraw/zinc/27/84/62/702278462.db2.gz DQXCTYCTOHZPLG-JTQLQIEISA-N 1 1 318.826 1.478 20 10 DDCDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841006801 702307647 /nfs/dbraw/zinc/30/76/47/702307647.db2.gz IDWWFJPYRUSFMH-GFCCVEGCSA-N 1 1 304.394 1.198 20 10 DDCDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841019339 702313057 /nfs/dbraw/zinc/31/30/57/702313057.db2.gz IALPLLUVCDYSAK-QWHCGFSZSA-N 1 1 318.421 1.444 20 10 DDCDMO Fc1cc(CNC[C@@H]2CCC[NH2+]C2)ccc1N1CCOCC1 ZINC000841033403 702317321 /nfs/dbraw/zinc/31/73/21/702317321.db2.gz SZIVFEUQSSKVJT-OAHLLOKOSA-N 1 1 307.413 1.752 20 10 DDCDMO c1cc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000817902488 702514952 /nfs/dbraw/zinc/51/49/52/702514952.db2.gz RGQPORVOHFAUPQ-BRWVUGGUSA-N 1 1 302.418 1.868 20 10 DDCDMO [NH3+]CC(F)(F)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841831983 702576257 /nfs/dbraw/zinc/57/62/57/702576257.db2.gz JYFNVXUSQKZOKS-UHFFFAOYSA-N 1 1 310.348 1.456 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@]3(CCSC3)C1)[C@@H](O)CO2 ZINC000842620796 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CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844456630 703033686 /nfs/dbraw/zinc/03/36/86/703033686.db2.gz ZXNMFPHAZZGBFU-GASCZTMLSA-N 1 1 323.387 1.908 20 10 DDCDMO C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cc(F)cc(F)c1O ZINC000866572095 706732494 /nfs/dbraw/zinc/73/24/94/706732494.db2.gz LENDXWFHXQMLMK-QMMMGPOBSA-N 1 1 322.377 1.636 20 10 DDCDMO CC[N@@H+](C)C[C@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000846765948 703328281 /nfs/dbraw/zinc/32/82/81/703328281.db2.gz GGFJXCXCJOVURW-SFHVURJKSA-N 1 1 321.465 1.268 20 10 DDCDMO CCN(C)C[C@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846765948 703328285 /nfs/dbraw/zinc/32/82/85/703328285.db2.gz GGFJXCXCJOVURW-SFHVURJKSA-N 1 1 321.465 1.268 20 10 DDCDMO CC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844614 703341243 /nfs/dbraw/zinc/34/12/43/703341243.db2.gz HSMPDMHOGZCRGL-YJBOKZPZSA-N 1 1 321.465 1.486 20 10 DDCDMO CCN(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000846844614 703341246 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306.362 1.612 20 10 DDCDMO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000189036640 697569839 /nfs/dbraw/zinc/56/98/39/697569839.db2.gz JONZHPMVOFHVAL-MRXNPFEDSA-N 1 1 306.362 1.612 20 10 DDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC)C1CC1)cc2=O ZINC000194159421 697695164 /nfs/dbraw/zinc/69/51/64/697695164.db2.gz UJUNBQNYGVGRKH-UHFFFAOYSA-N 1 1 304.350 1.596 20 10 DDCDMO CC(=O)N[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000228299680 697774010 /nfs/dbraw/zinc/77/40/10/697774010.db2.gz QAFVBXIGYUMQEU-CYBMUJFWSA-N 1 1 310.781 1.959 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000800536743 700231612 /nfs/dbraw/zinc/23/16/12/700231612.db2.gz HXJFKIUWIGXGKL-HNNXBMFYSA-N 1 1 320.433 1.945 20 10 DDCDMO COC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H](C)O1 ZINC000783968826 698896679 /nfs/dbraw/zinc/89/66/79/698896679.db2.gz VCOQMBMSUDAFRV-WBIUFABUSA-N 1 1 309.362 1.054 20 10 DDCDMO COC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H](C)O1 ZINC000783968826 698896682 /nfs/dbraw/zinc/89/66/82/698896682.db2.gz VCOQMBMSUDAFRV-WBIUFABUSA-N 1 1 309.362 1.054 20 10 DDCDMO COC(=O)[C@@](C)(O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000788018909 699267693 /nfs/dbraw/zinc/26/76/93/699267693.db2.gz GSOKGQOKQLWYSD-PBHICJAKSA-N 1 1 323.389 1.297 20 10 DDCDMO O=C1NCCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715819033 699277196 /nfs/dbraw/zinc/27/71/96/699277196.db2.gz RYVJVFUZLGZHIB-JTQLQIEISA-N 1 1 317.158 1.662 20 10 DDCDMO CCOc1ccc(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c(O)c1 ZINC000793588264 699766047 /nfs/dbraw/zinc/76/60/47/699766047.db2.gz IFUADAFLLDWWTN-KBPBESRZSA-N 1 1 308.422 1.678 20 10 DDCDMO CCOc1ccc(C[N@@H+]2CCN(C[C@H](C)O)C[C@@H]2C)c(O)c1 ZINC000793588264 699766049 /nfs/dbraw/zinc/76/60/49/699766049.db2.gz IFUADAFLLDWWTN-KBPBESRZSA-N 1 1 308.422 1.678 20 10 DDCDMO CCOc1ccc(C[N@H+]2CCN(C[C@H](C)O)C[C@@H]2C)c(O)c1 ZINC000793588264 699766052 /nfs/dbraw/zinc/76/60/52/699766052.db2.gz IFUADAFLLDWWTN-KBPBESRZSA-N 1 1 308.422 1.678 20 10 DDCDMO CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(OC)cc1O ZINC000795030658 699842620 /nfs/dbraw/zinc/84/26/20/699842620.db2.gz DHRZVVBCQXAFDV-CYBMUJFWSA-N 1 1 323.462 1.849 20 10 DDCDMO CC(C)[N@@H+](Cc1nc(=O)n(C)[nH]1)Cc1ccc(N(C)C)cc1 ZINC000754011787 700476146 /nfs/dbraw/zinc/47/61/46/700476146.db2.gz MNPQSHLTTDKQIV-UHFFFAOYSA-N 1 1 303.410 1.585 20 10 DDCDMO C[C@H]([NH2+]CCOCCO)c1cc(Br)c(F)cc1O ZINC000756361184 700617677 /nfs/dbraw/zinc/61/76/77/700617677.db2.gz GJDZWDKJQUJMKU-QMMMGPOBSA-N 1 1 322.174 1.953 20 10 DDCDMO COCCOC[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756733177 700638410 /nfs/dbraw/zinc/63/84/10/700638410.db2.gz NMKKUUNUGABQTP-VXGBXAGGSA-N 1 1 311.378 1.881 20 10 DDCDMO COc1cccc(C[N@H+](C)CC(=O)NCc2ccco2)c1O ZINC000768196498 701162872 /nfs/dbraw/zinc/16/28/72/701162872.db2.gz QNDIPXXPIZJXFN-UHFFFAOYSA-N 1 1 304.346 1.742 20 10 DDCDMO COc1cccc(C[N@@H+](C)CC(=O)NCc2ccco2)c1O ZINC000768196498 701162876 /nfs/dbraw/zinc/16/28/76/701162876.db2.gz QNDIPXXPIZJXFN-UHFFFAOYSA-N 1 1 304.346 1.742 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCOC3(CCCC3)C1)[C@H](O)CO2 ZINC000768462461 701179581 /nfs/dbraw/zinc/17/95/81/701179581.db2.gz LQAVQGYIGVDOEP-OAHLLOKOSA-N 1 1 305.374 1.963 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1OC ZINC000768466295 701180495 /nfs/dbraw/zinc/18/04/95/701180495.db2.gz XVOGKRHPFZXUGY-GFCCVEGCSA-N 1 1 322.361 1.436 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1OC ZINC000768466295 701180497 /nfs/dbraw/zinc/18/04/97/701180497.db2.gz XVOGKRHPFZXUGY-GFCCVEGCSA-N 1 1 322.361 1.436 20 10 DDCDMO COc1cccc(O)c1C[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000770304555 701274191 /nfs/dbraw/zinc/27/41/91/701274191.db2.gz PORIPOPXYXMWOQ-UHFFFAOYSA-N 1 1 321.406 1.157 20 10 DDCDMO CCOc1cccc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)c1O ZINC000770391034 701276291 /nfs/dbraw/zinc/27/62/91/701276291.db2.gz JPQKPPXYCWAIGC-ZDUSSCGKSA-N 1 1 306.362 1.817 20 10 DDCDMO COCC[C@H](COC)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000810174010 701739524 /nfs/dbraw/zinc/73/95/24/701739524.db2.gz NHGUFGOXDJLBBE-QGZVFWFLSA-N 1 1 321.465 1.580 20 10 DDCDMO Cc1cc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)ccc1N(C)C ZINC000815070668 701792529 /nfs/dbraw/zinc/79/25/29/701792529.db2.gz XTYARQYLUPEZER-CQSZACIVSA-N 1 1 311.451 1.314 20 10 DDCDMO COc1cc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c(O)cc1C ZINC000840147256 701996601 /nfs/dbraw/zinc/99/66/01/701996601.db2.gz RBGDSWWYAHILQM-AWEZNQCLSA-N 1 1 321.421 1.945 20 10 DDCDMO COc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c(O)c1 ZINC000811930940 702086812 /nfs/dbraw/zinc/08/68/12/702086812.db2.gz MRAMIUIJIFVUSL-LBPRGKRZSA-N 1 1 309.410 1.929 20 10 DDCDMO OC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCC1(F)F ZINC000812775074 702234761 /nfs/dbraw/zinc/23/47/61/702234761.db2.gz FDHRNHONIJEULY-SNVBAGLBSA-N 1 1 301.289 1.570 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CCC[C@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000840980412 702301516 /nfs/dbraw/zinc/30/15/16/702301516.db2.gz ZFDRIONULZOGQE-ZYHUDNBSSA-N 1 1 310.350 1.902 20 10 DDCDMO COc1c(O)c(C[N@H+]2CCC[C@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000840980412 702301522 /nfs/dbraw/zinc/30/15/22/702301522.db2.gz ZFDRIONULZOGQE-ZYHUDNBSSA-N 1 1 310.350 1.902 20 10 DDCDMO CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841006913 702307023 /nfs/dbraw/zinc/30/70/23/702307023.db2.gz KMRHDYDLTMCXJZ-OAHLLOKOSA-N 1 1 319.449 1.802 20 10 DDCDMO CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841006913 702307030 /nfs/dbraw/zinc/30/70/30/702307030.db2.gz KMRHDYDLTMCXJZ-OAHLLOKOSA-N 1 1 319.449 1.802 20 10 DDCDMO C[N@@H+](CCNC(=O)C(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000841040542 702318979 /nfs/dbraw/zinc/31/89/79/702318979.db2.gz OMHIPESKSZNRTO-UHFFFAOYSA-N 1 1 318.421 1.588 20 10 DDCDMO [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3c([O-])cccc3Cl)C2)nn1 ZINC000841098944 702345596 /nfs/dbraw/zinc/34/55/96/702345596.db2.gz AIVQLSVDAKLOPQ-LBPRGKRZSA-N 1 1 321.812 1.933 20 10 DDCDMO [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)nn1 ZINC000841098944 702345605 /nfs/dbraw/zinc/34/56/05/702345605.db2.gz AIVQLSVDAKLOPQ-LBPRGKRZSA-N 1 1 321.812 1.933 20 10 DDCDMO CC(C)[C@@H](CNC(=O)Nc1ccc(N)cc1)N1CC[NH+](C)CC1 ZINC000841302046 702417822 /nfs/dbraw/zinc/41/78/22/702417822.db2.gz JUEUGAGOKCTUFM-MRXNPFEDSA-N 1 1 319.453 1.662 20 10 DDCDMO COc1c(O)c(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000814173329 702490222 /nfs/dbraw/zinc/49/02/22/702490222.db2.gz JVVWLAKKKSSKTJ-ZWNOBZJWSA-N 1 1 307.350 1.445 20 10 DDCDMO CN(C)c1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817896446 702511499 /nfs/dbraw/zinc/51/14/99/702511499.db2.gz IRRCBTVFFYHZMC-FGTMMUONSA-N 1 1 303.450 1.999 20 10 DDCDMO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](N)c2ccccc2)cc1 ZINC000841846193 702582837 /nfs/dbraw/zinc/58/28/37/702582837.db2.gz KODFSQBYCAJNFA-IAGOWNOFSA-N 1 1 312.417 1.569 20 10 DDCDMO CN(C(=O)NCCc1ccc(N)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000841956255 702635003 /nfs/dbraw/zinc/63/50/03/702635003.db2.gz ZWXYFKDTLNKBQS-INIZCTEOSA-N 1 1 302.422 1.689 20 10 DDCDMO CCc1cccc(C[N@H+]2C[C@H](CO)C[C@H](OCCOC)C2)c1O ZINC000848906555 703601687 /nfs/dbraw/zinc/60/16/87/703601687.db2.gz APQYUQMHARQBNF-PBHICJAKSA-N 1 1 323.433 1.800 20 10 DDCDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000850829324 703757315 /nfs/dbraw/zinc/75/73/15/703757315.db2.gz IOGLFURWEVOTEV-GFCCVEGCSA-N 1 1 318.421 1.444 20 10 DDCDMO COC[C@@]1(C(=O)OC)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000852636089 704088804 /nfs/dbraw/zinc/08/88/04/704088804.db2.gz ZVGTYEUOVVTDLW-QGZVFWFLSA-N 1 1 306.406 1.907 20 10 DDCDMO COC[C@@]1(C(=O)OC)CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000852636089 704088805 /nfs/dbraw/zinc/08/88/05/704088805.db2.gz ZVGTYEUOVVTDLW-QGZVFWFLSA-N 1 1 306.406 1.907 20 10 DDCDMO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000819582360 704145141 /nfs/dbraw/zinc/14/51/41/704145141.db2.gz KTMPTGFYAOQQFC-WMLDXEAASA-N 1 1 317.433 1.732 20 10 DDCDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc(O)c1O ZINC000854642062 704431962 /nfs/dbraw/zinc/43/19/62/704431962.db2.gz IKMNAUZBZWFDSE-QWHCGFSZSA-N 1 1 306.362 1.033 20 10 DDCDMO O=C(c1cccc(O)c1O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000861986840 705625564 /nfs/dbraw/zinc/62/55/64/705625564.db2.gz NFIFJYBGYUXXIQ-UHFFFAOYSA-N 1 1 320.389 1.425 20 10 DDCDMO COc1cccc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1O ZINC000825278393 705638312 /nfs/dbraw/zinc/63/83/12/705638312.db2.gz BZIBXGXULKVCSF-ZDUSSCGKSA-N 1 1 307.394 1.636 20 10 DDCDMO CCOc1cccc(C[N@H+]2CC[C@](OC)(C(=O)OC)C2)c1O ZINC000862473619 705720991 /nfs/dbraw/zinc/72/09/91/705720991.db2.gz BVLJQBRCWPSODF-MRXNPFEDSA-N 1 1 309.362 1.555 20 10 DDCDMO Cc1cc(N(C)C)ccc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000827125712 705934989 /nfs/dbraw/zinc/93/49/89/705934989.db2.gz PLJUJODTJPDFHN-GOSISDBHSA-N 1 1 303.450 1.968 20 10 DDCDMO Cc1cc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)ccc1N1CCCCC1 ZINC000827595028 706033722 /nfs/dbraw/zinc/03/37/22/706033722.db2.gz KWLCKYSAHNPVHL-QGZVFWFLSA-N 1 1 317.433 1.671 20 10 DDCDMO Cc1cc(C[N@H+]2CCO[C@@H](C(N)=O)C2)ccc1N1CCCCC1 ZINC000827595028 706033724 /nfs/dbraw/zinc/03/37/24/706033724.db2.gz KWLCKYSAHNPVHL-QGZVFWFLSA-N 1 1 317.433 1.671 20 10 DDCDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877481794 706118911 /nfs/dbraw/zinc/11/89/11/706118911.db2.gz SQORWTVPZIKASK-GDBMZVCRSA-N 1 1 309.406 1.546 20 10 DDCDMO Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c(O)c1 ZINC000877516526 706129941 /nfs/dbraw/zinc/12/99/41/706129941.db2.gz BLFFRWYOSAKWDC-SUMWQHHRSA-N 1 1 317.389 1.653 20 10 DDCDMO O=CN1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877641585 706166761 /nfs/dbraw/zinc/16/67/61/706166761.db2.gz ADBSBFMKWMNGMI-UHFFFAOYSA-N 1 1 317.433 1.312 20 10 DDCDMO COc1c(O)c(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000877743568 706195676 /nfs/dbraw/zinc/19/56/76/706195676.db2.gz WVOMPDFEGZVGOE-YPMHNXCESA-N 1 1 321.377 1.835 20 10 DDCDMO C[C@@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)c1ccc(N(C)C)cc1 ZINC000878454818 706392635 /nfs/dbraw/zinc/39/26/35/706392635.db2.gz JEKPMLREYZGZFO-LLVKDONJSA-N 1 1 312.377 1.334 20 10 DDCDMO O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834592328 707091148 /nfs/dbraw/zinc/09/11/48/707091148.db2.gz LYOGPCCTCZTJEX-DWMAKUKJSA-N 1 1 320.364 1.756 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000835048765 707162013 /nfs/dbraw/zinc/16/20/13/707162013.db2.gz XZKPUKSWFZUNQB-LLCTXKFZSA-N 1 1 323.462 1.519 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000835048765 707162015 /nfs/dbraw/zinc/16/20/15/707162015.db2.gz XZKPUKSWFZUNQB-LLCTXKFZSA-N 1 1 323.462 1.519 20 10 DDCDMO CN(C)C1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000881852657 707393714 /nfs/dbraw/zinc/39/37/14/707393714.db2.gz BAVSXGRTQCXFML-UHFFFAOYSA-N 1 1 316.449 1.149 20 10 DDCDMO CN(C)C1CC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000883153252 707942208 /nfs/dbraw/zinc/94/22/08/707942208.db2.gz XOTXHHUUYPRSHJ-UHFFFAOYSA-N 1 1 303.450 1.830 20 10 DDCDMO CCCC[N@@H+](CCN1C(=O)N[C@H](C)C1=O)Cc1ccccc1O ZINC000838982745 708009964 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1.166 20 10 DDCDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(C)(C)CO ZINC000926855465 712913111 /nfs/dbraw/zinc/91/31/11/712913111.db2.gz UTXMSXZNORBGSC-HNNXBMFYSA-N 1 1 305.466 1.935 20 10 DDCDMO C[C@@H]1OC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]1C ZINC000926855731 712913423 /nfs/dbraw/zinc/91/34/23/712913423.db2.gz WAFIXJPOMXUDMA-RVKKMQEKSA-N 1 1 303.450 1.951 20 10 DDCDMO C[C@H]1C[N@@H+](CCO)CCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835053027 707162876 /nfs/dbraw/zinc/16/28/76/707162876.db2.gz AEOFAVLCLIHNKP-AWFCHZOYSA-N 1 1 303.450 1.764 20 10 DDCDMO C[N@H+]1CC[C@@H]2CN(Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@@H]21 ZINC000872722052 707571273 /nfs/dbraw/zinc/57/12/73/707571273.db2.gz BIQAVNIIPYXFQK-WPGHFRTFSA-N 1 1 304.390 1.344 20 10 DDCDMO CCN1CC[C@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883359344 707983715 /nfs/dbraw/zinc/98/37/15/707983715.db2.gz DQGYLBLOGUYPDY-SFHVURJKSA-N 1 1 302.466 1.622 20 10 DDCDMO COc1cccc(CNC(=O)NCC[N@H+]2CCC[C@H]2C)c1O ZINC000897482806 708346848 /nfs/dbraw/zinc/34/68/48/708346848.db2.gz FSITWVJSSSUPQQ-GFCCVEGCSA-N 1 1 307.394 1.684 20 10 DDCDMO CC(C)C[C@H]1CN(C)CC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000902544110 710789756 /nfs/dbraw/zinc/78/97/56/710789756.db2.gz XACMLMQFWIXPFN-WMLDXEAASA-N 1 1 320.433 1.980 20 10 DDCDMO CC(C)C[C@H]1C[N@H+](C)CCN1Cc1cc2c(cc1O)OC[C@H]2O ZINC000902544110 710789757 /nfs/dbraw/zinc/78/97/57/710789757.db2.gz XACMLMQFWIXPFN-WMLDXEAASA-N 1 1 320.433 1.980 20 10 DDCDMO CC(C)C[C@H]1C[N@@H+](C)CCN1Cc1cc2c(cc1O)OC[C@H]2O ZINC000902544110 710789760 /nfs/dbraw/zinc/78/97/60/710789760.db2.gz XACMLMQFWIXPFN-WMLDXEAASA-N 1 1 320.433 1.980 20 10 DDCDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000893873082 710868117 /nfs/dbraw/zinc/86/81/17/710868117.db2.gz DLBWNMLMFSFORE-CYBMUJFWSA-N 1 1 311.378 1.647 20 10 DDCDMO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cn(C)nn1 ZINC000902761572 710892103 /nfs/dbraw/zinc/89/21/03/710892103.db2.gz SRPDTHGHIRUXEI-CYBMUJFWSA-N 1 1 301.394 1.503 20 10 DDCDMO CO[C@@]1(C[NH2+][C@H](C)c2c(O)cccc2F)CCS(=O)(=O)C1 ZINC000903363624 711104197 /nfs/dbraw/zinc/10/41/97/711104197.db2.gz PRVVCGKVEIBAJD-QMTHXVAHSA-N 1 1 317.382 1.386 20 10 DDCDMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(F)cc(F)c1O ZINC000894456027 711130029 /nfs/dbraw/zinc/13/00/29/711130029.db2.gz KYOLOPUXEBJSCH-AWEZNQCLSA-N 1 1 303.305 1.728 20 10 DDCDMO C[C@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)n1 ZINC000903449403 711130992 /nfs/dbraw/zinc/13/09/92/711130992.db2.gz YITZYPFVQJFSGF-GUYCJALGSA-N 1 1 316.453 1.835 20 10 DDCDMO C[N@@H+](CCO[C@H]1CCOC1)Cc1ccc(N2CCOCC2)cc1 ZINC000929185626 713563360 /nfs/dbraw/zinc/56/33/60/713563360.db2.gz PQNZTRHYOMBVMY-SFHVURJKSA-N 1 1 320.433 1.761 20 10 DDCDMO CO[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@](C)(CO)C1 ZINC000931472324 714105362 /nfs/dbraw/zinc/10/53/62/714105362.db2.gz YCTDCXFWGDAHOF-MSOLQXFVSA-N 1 1 320.433 1.495 20 10 DDCDMO CCO[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000932970628 714446218 /nfs/dbraw/zinc/44/62/18/714446218.db2.gz HJFUDWRPDTXTDR-INIZCTEOSA-N 1 1 305.422 1.480 20 10 DDCDMO C[NH+](C)C[C@H]1COCCN1C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193613047 746149288 /nfs/dbraw/zinc/14/92/88/746149288.db2.gz YKSRLLBPWVKMCK-JTQLQIEISA-N 1 1 314.769 1.154 20 10 DDCDMO [NH3+]C[C@]1(O)CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001205247444 751311060 /nfs/dbraw/zinc/31/10/60/751311060.db2.gz HTPRWTUWLYSRNN-AWEZNQCLSA-N 1 1 302.777 1.860 20 10 DDCDMO [NH3+]C[C@]1(O)CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001205247444 751311066 /nfs/dbraw/zinc/31/10/66/751311066.db2.gz HTPRWTUWLYSRNN-AWEZNQCLSA-N 1 1 302.777 1.860 20 10 DDCDMO CCO[C@@H]1C[C@H]2CN(Cc3c(O)cc(O)cc3O)CC[N@H+]2C1 ZINC001144508097 772555124 /nfs/dbraw/zinc/55/51/24/772555124.db2.gz IGYVANBTJWGKOF-WCQYABFASA-N 1 1 308.378 1.098 20 10 DDCDMO CCO[C@@H]1C[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)CCN2C1 ZINC001144508097 772555127 /nfs/dbraw/zinc/55/51/27/772555127.db2.gz IGYVANBTJWGKOF-WCQYABFASA-N 1 1 308.378 1.098 20 10 DDCDMO CCO[C@@H]1C[C@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)CCN2C1 ZINC001144508097 772555130 /nfs/dbraw/zinc/55/51/30/772555130.db2.gz IGYVANBTJWGKOF-WCQYABFASA-N 1 1 308.378 1.098 20 10 DDCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c(O)c1 ZINC001144508859 772557366 /nfs/dbraw/zinc/55/73/66/772557366.db2.gz BCLNEUPYAORHGU-CYBMUJFWSA-N 1 1 302.330 1.852 20 10 DDCDMO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1ccc(O)c(O)c1)C2 ZINC001172099462 776621483 /nfs/dbraw/zinc/62/14/83/776621483.db2.gz IBJATGLRUJVSEO-UMPJEAMMSA-N 1 1 306.406 1.736 20 10 DDCDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4cc(O)c(O)cc4[nH]3)[C@@H]2C1 ZINC001269476017 841677296 /nfs/dbraw/zinc/67/72/96/841677296.db2.gz AUHJSGJENVGALJ-TVQRCGJNSA-N 1 1 301.346 1.355 20 10 DDCDMO CN1C[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3O)C2)OCC1=O ZINC001272636911 846438205 /nfs/dbraw/zinc/43/82/05/846438205.db2.gz HFYNHDYMZYBLEA-OAHLLOKOSA-N 1 1 310.781 1.479 20 10 DDCDMO COc1cc(C[N@@H+]2CCC[C@@]23CCN(C)C3=O)cc(O)c1O ZINC001272987591 847748772 /nfs/dbraw/zinc/74/87/72/847748772.db2.gz DROWVLNMXADLRP-INIZCTEOSA-N 1 1 306.362 1.303 20 10 DDCDMO COc1cc(C[N@H+]2CCC[C@@]23CCN(C)C3=O)cc(O)c1O ZINC001272987591 847748780 /nfs/dbraw/zinc/74/87/80/847748780.db2.gz DROWVLNMXADLRP-INIZCTEOSA-N 1 1 306.362 1.303 20 10 DDCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001327107110 861891250 /nfs/dbraw/zinc/89/12/50/861891250.db2.gz KFJATDNQBSICSK-NVXWUHKLSA-N 1 1 318.417 1.643 20 10 DDCDMO CN1CCCc2cc(C[NH+]3CC4(C3)COCC(=O)N4C)ccc21 ZINC001273320897 849472173 /nfs/dbraw/zinc/47/21/73/849472173.db2.gz KUJHQVYPMHKWBF-UHFFFAOYSA-N 1 1 315.417 1.112 20 10 DDCDMO CC(C)c1ccc(C[NH+]2CC3(C2)COCC(=O)N3C)c(O)c1 ZINC001274780115 852597511 /nfs/dbraw/zinc/59/75/11/852597511.db2.gz RTSYXTFOMYMREA-UHFFFAOYSA-N 1 1 304.390 1.559 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c(OC)c1 ZINC001138386807 860085693 /nfs/dbraw/zinc/08/56/93/860085693.db2.gz WXEPJIGVZZIESU-NVXWUHKLSA-N 1 1 322.449 1.717 20 10 DDCDMO C[C@]1(CO)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC001138496582 860119773 /nfs/dbraw/zinc/11/97/73/860119773.db2.gz UPHMROPUGBLMFO-ZWKOTPCHSA-N 1 1 320.433 1.088 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](F)[C@H](O)C3)cc2)CC1 ZINC001139404623 860387624 /nfs/dbraw/zinc/38/76/24/860387624.db2.gz RAXBRJAXMOAJDW-IAGOWNOFSA-N 1 1 307.413 1.343 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@@H](F)[C@H](O)C3)cc2)CC1 ZINC001139404623 860387633 /nfs/dbraw/zinc/38/76/33/860387633.db2.gz RAXBRJAXMOAJDW-IAGOWNOFSA-N 1 1 307.413 1.343 20 10 DDCDMO C[NH+]1CCN(c2ccc(CN3C[C@@H](F)C[C@H](CO)C3)cc2)CC1 ZINC001139408647 860390525 /nfs/dbraw/zinc/39/05/25/860390525.db2.gz OGUQRCQIDOINLR-IRXDYDNUSA-N 1 1 321.440 1.591 20 10 DDCDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140285314 860612470 /nfs/dbraw/zinc/61/24/70/860612470.db2.gz INMVWBPKILXOKV-KDOFPFPSSA-N 1 1 304.434 1.993 20 10 DDCDMO CC[NH+]1CCN(c2ccc(CN3CC4(COC4)C3)cc2)CC1 ZINC001140300754 860615276 /nfs/dbraw/zinc/61/52/76/860615276.db2.gz RFWZYZDKVIJJPL-UHFFFAOYSA-N 1 1 301.434 1.661 20 10 DDCDMO COCCN1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3O)C[C@@H]2C1=O ZINC001140620560 860663417 /nfs/dbraw/zinc/66/34/17/860663417.db2.gz SOQPMKUDQJWVAL-GJZGRUSLSA-N 1 1 304.390 1.237 20 10 DDCDMO C[C@@]1(CO)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660348 860669526 /nfs/dbraw/zinc/66/95/26/860669526.db2.gz OVHGZXBEOUJTCY-QGZVFWFLSA-N 1 1 308.397 1.867 20 10 DDCDMO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c1O ZINC001140749716 860691208 /nfs/dbraw/zinc/69/12/08/860691208.db2.gz KLLKLBUTBWQQBL-OCCSQVGLSA-N 1 1 304.390 1.849 20 10 DDCDMO CCN(CC)c1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c(O)c1 ZINC001140855806 860714342 /nfs/dbraw/zinc/71/43/42/860714342.db2.gz KSAWIZVQKHMLPI-ZDUSSCGKSA-N 1 1 305.422 1.901 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)c(O)c1 ZINC001140855806 860714345 /nfs/dbraw/zinc/71/43/45/860714345.db2.gz KSAWIZVQKHMLPI-ZDUSSCGKSA-N 1 1 305.422 1.901 20 10 DDCDMO O=C(N1CCCC1)C12CC(C1)C[N@@H+]2Cc1cc(O)ccc1O ZINC001141159876 860798118 /nfs/dbraw/zinc/79/81/18/860798118.db2.gz LUKJRWJTDLVAGZ-UHFFFAOYSA-N 1 1 302.374 1.685 20 10 DDCDMO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ncnn1C ZINC001331729002 865281516 /nfs/dbraw/zinc/28/15/16/865281516.db2.gz RGXQQISECMIKEW-ZDUSSCGKSA-N 1 1 315.421 1.627 20 10 DDCDMO C[NH+]1CCN(c2ccc(C[NH2+]CCCCC(=O)[O-])cc2F)CC1 ZINC001332425607 865831299 /nfs/dbraw/zinc/83/12/99/865831299.db2.gz BMOVDQAYIWRZKR-UHFFFAOYSA-N 1 1 323.412 1.922 20 10 DDCDMO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001333257913 866568165 /nfs/dbraw/zinc/56/81/65/866568165.db2.gz OJXWHHZGWXNDGK-AWEZNQCLSA-N 1 1 316.449 1.195 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CCC[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC001321019111 867224122 /nfs/dbraw/zinc/22/41/22/867224122.db2.gz JJEZHORFOKZVBX-HNNXBMFYSA-N 1 1 310.350 1.903 20 10 DDCDMO COc1c(O)c(C[N@H+]2CCC[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC001321019111 867224136 /nfs/dbraw/zinc/22/41/36/867224136.db2.gz JJEZHORFOKZVBX-HNNXBMFYSA-N 1 1 310.350 1.903 20 10 DDCDMO CCOc1ccc(N2CC[NH+]([C@@H]3CCCNC3=O)CC2)cc1 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WBLPSIGHHBENFX-NSHDSACASA-N 1 1 313.195 1.783 20 10 DDCDMO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000788973251 699352223 /nfs/dbraw/zinc/35/22/23/699352223.db2.gz PYDLILRJNAFGAH-OAHLLOKOSA-N 1 1 318.465 1.395 20 10 DDCDMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000729528252 699481470 /nfs/dbraw/zinc/48/14/70/699481470.db2.gz ZDTYVXKAINEQDD-ZBFHGGJFSA-N 1 1 317.433 1.652 20 10 DDCDMO CC(C)[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@H](C)O ZINC000730422794 699510344 /nfs/dbraw/zinc/51/03/44/699510344.db2.gz DFRGALCGNVCVAK-HNNXBMFYSA-N 1 1 321.465 1.802 20 10 DDCDMO CS(=O)(=O)NCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731846073 699537648 /nfs/dbraw/zinc/53/76/48/699537648.db2.gz QKBLDCZGFABMMP-UHFFFAOYSA-N 1 1 312.435 1.686 20 10 DDCDMO COc1ccc(O)c([C@@H](C)NC(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000732888744 699574328 /nfs/dbraw/zinc/57/43/28/699574328.db2.gz DIZBUMXMSUFULA-LLVKDONJSA-N 1 1 307.394 1.855 20 10 DDCDMO COc1ccc(CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)c(O)c1 ZINC000792827373 699717745 /nfs/dbraw/zinc/71/77/45/699717745.db2.gz CVZGGGVKEQHKCZ-ZDUSSCGKSA-N 1 1 321.421 1.932 20 10 DDCDMO CC[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(F)cc1O ZINC000796694910 699947148 /nfs/dbraw/zinc/94/71/48/699947148.db2.gz NRZZNXWWDIFZNH-CYBMUJFWSA-N 1 1 318.414 1.854 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c1 ZINC000756770551 700640408 /nfs/dbraw/zinc/64/04/08/700640408.db2.gz YENVIXCPWKUKTI-NXEZZACHSA-N 1 1 315.391 1.263 20 10 DDCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1O ZINC000760547585 700813458 /nfs/dbraw/zinc/81/34/58/700813458.db2.gz BVOZHVSHZSIYJA-AWEZNQCLSA-N 1 1 319.405 1.745 20 10 DDCDMO COc1cccc(O)c1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000768301866 701168039 /nfs/dbraw/zinc/16/80/39/701168039.db2.gz DHQCSUYREWTJSF-UHFFFAOYSA-N 1 1 320.433 1.945 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000768938406 701217382 /nfs/dbraw/zinc/21/73/82/701217382.db2.gz ZKQYWAVHPHFBIJ-CQSZACIVSA-N 1 1 306.406 1.697 20 10 DDCDMO Cc1cc(O)c(C[NH+]2CCN(CC[S@](C)=O)CC2)cc1C ZINC000769479993 701246570 /nfs/dbraw/zinc/24/65/70/701246570.db2.gz LTOINVHEVVPOED-NRFANRHFSA-N 1 1 310.463 1.505 20 10 DDCDMO COC(=O)C[N@H+](Cc1cc2c(cc1O)OCO2)C1CCOCC1 ZINC000769515811 701248049 /nfs/dbraw/zinc/24/80/49/701248049.db2.gz HYPIKBISJVADMN-UHFFFAOYSA-N 1 1 323.345 1.275 20 10 DDCDMO COC(=O)C[N@@H+](Cc1cc2c(cc1O)OCO2)C1CCOCC1 ZINC000769515811 701248051 /nfs/dbraw/zinc/24/80/51/701248051.db2.gz HYPIKBISJVADMN-UHFFFAOYSA-N 1 1 323.345 1.275 20 10 DDCDMO COc1cc(O)c(C[NH2+]Cc2nnnn2CC2CC2)cc1OC ZINC000770669166 701288947 /nfs/dbraw/zinc/28/89/47/701288947.db2.gz UAQASSJEHRCPJK-UHFFFAOYSA-N 1 1 319.365 1.096 20 10 DDCDMO CSC[C@](C)(O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771844327 701333932 /nfs/dbraw/zinc/33/39/32/701333932.db2.gz YPZBLVMHKNTUQP-QGZVFWFLSA-N 1 1 323.506 1.642 20 10 DDCDMO CC[C@@H]([NH2+]C1(C(=O)NCCOC)CC1)c1ccc(F)cc1O ZINC000840824424 702250092 /nfs/dbraw/zinc/25/00/92/702250092.db2.gz LSEGHUXKEOBDJF-CYBMUJFWSA-N 1 1 310.369 1.867 20 10 DDCDMO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)nn1C ZINC000840879332 702269377 /nfs/dbraw/zinc/26/93/77/702269377.db2.gz FAWIQVKLHRPNII-UHFFFAOYSA-N 1 1 318.396 1.994 20 10 DDCDMO OC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[C@@H]1O ZINC000840977016 702300686 /nfs/dbraw/zinc/30/06/86/702300686.db2.gz ZYRUASVATWLQLB-MFKMUULPSA-N 1 1 316.195 1.330 20 10 DDCDMO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045382 702321389 /nfs/dbraw/zinc/32/13/89/702321389.db2.gz KNAJBQNQIXYPJR-SWLSCSKDSA-N 1 1 313.467 1.165 20 10 DDCDMO CCc1nn(C)cc1C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841046280 702321414 /nfs/dbraw/zinc/32/14/14/702321414.db2.gz ZBSUYBLURFQFHU-INIZCTEOSA-N 1 1 301.438 1.838 20 10 DDCDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841124933 702357172 /nfs/dbraw/zinc/35/71/72/702357172.db2.gz WTQCQJXBPJLIIX-AWEZNQCLSA-N 1 1 318.421 1.444 20 10 DDCDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1ccc(N)cc1 ZINC000841298363 702416480 /nfs/dbraw/zinc/41/64/80/702416480.db2.gz BAGJKVZZAIKJGO-UHFFFAOYSA-N 1 1 307.442 1.616 20 10 DDCDMO CN(CCCN(C)C(=O)Nc1ccc(N)cc1)CC[NH+](C)C ZINC000841298363 702416487 /nfs/dbraw/zinc/41/64/87/702416487.db2.gz BAGJKVZZAIKJGO-UHFFFAOYSA-N 1 1 307.442 1.616 20 10 DDCDMO CC[C@H](Cn1cncn1)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942847 702531496 /nfs/dbraw/zinc/53/14/96/702531496.db2.gz RGGWYQHATCKYDO-GDBMZVCRSA-N 1 1 302.426 1.412 20 10 DDCDMO COCC[N@@H+](C)CCCNC(=O)NCCc1ccc(N)cc1 ZINC000841707421 702544445 /nfs/dbraw/zinc/54/44/45/702544445.db2.gz SMVWTSTVATZECG-UHFFFAOYSA-N 1 1 308.426 1.079 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)N(CCO)C[C@H]2C)c1 ZINC000841891858 702608413 /nfs/dbraw/zinc/60/84/13/702608413.db2.gz QQDZWIVMKSGMJS-ZIAGYGMSSA-N 1 1 308.422 1.678 20 10 DDCDMO CCOc1ccc(O)c(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c1 ZINC000841891858 702608414 /nfs/dbraw/zinc/60/84/14/702608414.db2.gz QQDZWIVMKSGMJS-ZIAGYGMSSA-N 1 1 308.422 1.678 20 10 DDCDMO CCOc1ccc(O)c(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1 ZINC000841891858 702608416 /nfs/dbraw/zinc/60/84/16/702608416.db2.gz QQDZWIVMKSGMJS-ZIAGYGMSSA-N 1 1 308.422 1.678 20 10 DDCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843123615 702824124 /nfs/dbraw/zinc/82/41/24/702824124.db2.gz SVUCYXJHCSCJRM-ZDUSSCGKSA-N 1 1 313.804 1.664 20 10 DDCDMO CCN(CC)c1ccc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000843422179 702877856 /nfs/dbraw/zinc/87/78/56/702877856.db2.gz QRTSKVNLVDZZJO-GOSISDBHSA-N 1 1 303.450 1.784 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)cc1 ZINC000843434290 702880875 /nfs/dbraw/zinc/88/08/75/702880875.db2.gz JONMLMOJSNHXGU-DOTOQJQBSA-N 1 1 320.433 1.889 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](O)Cn2cccn2)cc1 ZINC000844399069 703025811 /nfs/dbraw/zinc/02/58/11/703025811.db2.gz FQGLGJUKKFGMOO-MRXNPFEDSA-N 1 1 318.421 1.321 20 10 DDCDMO CO[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000831527164 706725125 /nfs/dbraw/zinc/72/51/25/706725125.db2.gz CMPUFWXJOPGHRZ-YOEHRIQHSA-N 1 1 319.449 1.726 20 10 DDCDMO COc1cccc([C@@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)c1O ZINC000846146025 703242469 /nfs/dbraw/zinc/24/24/69/703242469.db2.gz PDCNWNLHEVECBP-ZIAGYGMSSA-N 1 1 307.438 1.687 20 10 DDCDMO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000846321397 703264327 /nfs/dbraw/zinc/26/43/27/703264327.db2.gz PYBOFVUYJSCMMA-UHFFFAOYSA-N 1 1 306.410 1.301 20 10 DDCDMO CCc1cccc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)c1O ZINC000848882338 703597630 /nfs/dbraw/zinc/59/76/30/703597630.db2.gz ZHWHJQGGXHFLKW-AWEZNQCLSA-N 1 1 312.435 1.468 20 10 DDCDMO CCn1ncc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000850347694 703725844 /nfs/dbraw/zinc/72/58/44/703725844.db2.gz VYQSYCWZQCNSFJ-ZDUSSCGKSA-N 1 1 301.394 1.675 20 10 DDCDMO COC[C@H](CC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)OC ZINC000850346675 703725857 /nfs/dbraw/zinc/72/58/57/703725857.db2.gz WOIPZZWTSNJZAZ-SFHVURJKSA-N 1 1 321.465 1.580 20 10 DDCDMO Cc1cc(C[N@@H+]2CCC[C@H]3OCCNC(=O)[C@@H]32)ccc1N(C)C ZINC000879725152 706772258 /nfs/dbraw/zinc/77/22/58/706772258.db2.gz LLHJAKXLRIVPHL-IAGOWNOFSA-N 1 1 317.433 1.540 20 10 DDCDMO Cc1cc(C[N@H+]2CCC[C@H]3OCCNC(=O)[C@@H]32)ccc1N(C)C ZINC000879725152 706772260 /nfs/dbraw/zinc/77/22/60/706772260.db2.gz LLHJAKXLRIVPHL-IAGOWNOFSA-N 1 1 317.433 1.540 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC3(COC3)C2)cc1 ZINC000852683190 704099036 /nfs/dbraw/zinc/09/90/36/704099036.db2.gz GZFRKJWWJDYBTK-UHFFFAOYSA-N 1 1 303.406 1.091 20 10 DDCDMO O=C1CC[C@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)CC[C@@H]2N1 ZINC000853556006 704268422 /nfs/dbraw/zinc/26/84/22/704268422.db2.gz UXZIVBUGBFGDSA-HOCLYGCPSA-N 1 1 300.402 1.981 20 10 DDCDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858174320 704673581 /nfs/dbraw/zinc/67/35/81/704673581.db2.gz RGVZPHSGQYNWJQ-UKRRQHHQSA-N 1 1 300.349 1.924 20 10 DDCDMO CCN(C)c1ccc(C[N@@H+]2CCC(=O)NCC23COC3)cc1 ZINC000880401060 706964998 /nfs/dbraw/zinc/96/49/98/706964998.db2.gz PERWVINCIIWEMY-UHFFFAOYSA-N 1 1 303.406 1.234 20 10 DDCDMO CCN(C)c1ccc(C[N@H+]2CCC(=O)NCC23COC3)cc1 ZINC000880401060 706965000 /nfs/dbraw/zinc/96/50/00/706965000.db2.gz PERWVINCIIWEMY-UHFFFAOYSA-N 1 1 303.406 1.234 20 10 DDCDMO CNS(=O)(=O)[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835028422 707158330 /nfs/dbraw/zinc/15/83/30/707158330.db2.gz ITYATPZILYHMLY-AWFCHZOYSA-N 1 1 323.462 1.389 20 10 DDCDMO CNS(=O)(=O)[C@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835028422 707158334 /nfs/dbraw/zinc/15/83/34/707158334.db2.gz ITYATPZILYHMLY-AWFCHZOYSA-N 1 1 323.462 1.389 20 10 DDCDMO CNC(=O)C1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862214942 705680259 /nfs/dbraw/zinc/68/02/59/705680259.db2.gz CRTOEIDBDFSDLU-UHFFFAOYSA-N 1 1 311.376 1.989 20 10 DDCDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862244808 705686874 /nfs/dbraw/zinc/68/68/74/705686874.db2.gz SHELCYDOZNVKIT-NSHDSACASA-N 1 1 311.376 1.989 20 10 DDCDMO C[C@H]1C[N@@H+](CCO)CCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862390606 705707494 /nfs/dbraw/zinc/70/74/94/705707494.db2.gz GSFCCGRFVSWTAF-LBPRGKRZSA-N 1 1 313.392 1.529 20 10 DDCDMO CC[N@@H+](Cc1ccc(Br)cc1O)[C@@H]1CCNC1=O ZINC000825773467 705729275 /nfs/dbraw/zinc/72/92/75/705729275.db2.gz HOFOAPAXAIJLQG-LLVKDONJSA-N 1 1 313.195 1.865 20 10 DDCDMO Cc1cc(O)c(C[NH+]2CCN(c3nncn3C)CC2)cc1Cl ZINC000826535521 705809207 /nfs/dbraw/zinc/80/92/07/705809207.db2.gz YWJINVTXTUGAHV-UHFFFAOYSA-N 1 1 321.812 1.805 20 10 DDCDMO COc1c(O)c(C[NH2+]CCO[C@H]2CC2(F)F)ccc1[N+](=O)[O-] ZINC000827073549 705922557 /nfs/dbraw/zinc/92/25/57/705922557.db2.gz XJCGNEHTZHJXKI-JTQLQIEISA-N 1 1 318.276 1.823 20 10 DDCDMO Cc1ccc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC000877022458 705961898 /nfs/dbraw/zinc/96/18/98/705961898.db2.gz VITYWKBHOREMPH-OAHLLOKOSA-N 1 1 305.422 1.378 20 10 DDCDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C)cc2O)CC12COC2 ZINC000877557801 706142244 /nfs/dbraw/zinc/14/22/44/706142244.db2.gz PXVQVZBFBFUFKT-CQSZACIVSA-N 1 1 305.374 1.712 20 10 DDCDMO Cc1cccc(O)c1C[NH+]1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000877574114 706146700 /nfs/dbraw/zinc/14/67/00/706146700.db2.gz YXTFPNKXNFAGFO-OAHLLOKOSA-N 1 1 317.433 1.487 20 10 DDCDMO COc1c(O)c(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)ccc1[N+](=O)[O-] ZINC000877683743 706178344 /nfs/dbraw/zinc/17/83/44/706178344.db2.gz ZQTQWSYGJULYFG-AQUXLQGKSA-N 1 1 320.345 1.822 20 10 DDCDMO NS(=O)(=O)c1cccc2c1CC[N@H+](Cc1ccccc1O)C2 ZINC000877761120 706200421 /nfs/dbraw/zinc/20/04/21/706200421.db2.gz BCFOGTWCMHXFAR-UHFFFAOYSA-N 1 1 318.398 1.598 20 10 DDCDMO NS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1ccccc1O)C2 ZINC000877761120 706200425 /nfs/dbraw/zinc/20/04/25/706200425.db2.gz BCFOGTWCMHXFAR-UHFFFAOYSA-N 1 1 318.398 1.598 20 10 DDCDMO CC(C)(O)C[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000878239874 706335497 /nfs/dbraw/zinc/33/54/97/706335497.db2.gz ALPMSZBCKARQRY-HZPDHXFCSA-N 1 1 323.433 1.895 20 10 DDCDMO C[C@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)c1ccc(N(C)C)cc1 ZINC000878454819 706392852 /nfs/dbraw/zinc/39/28/52/706392852.db2.gz JEKPMLREYZGZFO-NSHDSACASA-N 1 1 312.377 1.334 20 10 DDCDMO COCCC1(NCc2cc(OC)c(OC)cc2O)CC[NH2+]CC1 ZINC000873224616 707775146 /nfs/dbraw/zinc/77/51/46/707775146.db2.gz IKIWPZLPDXPXPC-UHFFFAOYSA-N 1 1 324.421 1.658 20 10 DDCDMO C[C@@H]([NH2+]CCN(C)CCOCCO)c1c(O)cccc1F ZINC000886651696 708806178 /nfs/dbraw/zinc/80/61/78/708806178.db2.gz OXWNQYIFYSVRCN-GFCCVEGCSA-N 1 1 300.374 1.123 20 10 DDCDMO COc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c(O)c1OC ZINC000891853534 710309769 /nfs/dbraw/zinc/30/97/69/710309769.db2.gz PMFIVZNNZBTQJP-LBPRGKRZSA-N 1 1 306.362 1.216 20 10 DDCDMO COc1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)c(O)c1OC ZINC000891853534 710309770 /nfs/dbraw/zinc/30/97/70/710309770.db2.gz PMFIVZNNZBTQJP-LBPRGKRZSA-N 1 1 306.362 1.216 20 10 DDCDMO C[N@H+]1C[C@@]2(C)CN(C(=O)/C=C\c3ccc(O)c(O)c3)C[C@@]2(C)C1 ZINC000913280265 713189969 /nfs/dbraw/zinc/18/99/69/713189969.db2.gz BNWJSUKCGJKIPB-ITQAEIPNSA-N 1 1 316.401 1.911 20 10 DDCDMO COc1cc(C)cc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1O ZINC000894026523 710933842 /nfs/dbraw/zinc/93/38/42/710933842.db2.gz MBBATHJWZVITPB-VXGBXAGGSA-N 1 1 315.435 1.963 20 10 DDCDMO COc1cc(C)cc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1O ZINC000894026523 710933847 /nfs/dbraw/zinc/93/38/47/710933847.db2.gz MBBATHJWZVITPB-VXGBXAGGSA-N 1 1 315.435 1.963 20 10 DDCDMO C[N@H+]1CCC[C@](O)(CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000911898279 711058024 /nfs/dbraw/zinc/05/80/24/711058024.db2.gz OLBDJKALPSTCJX-HNNXBMFYSA-N 1 1 312.797 1.509 20 10 DDCDMO C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cc(F)cc(F)c1O ZINC000903280279 711086707 /nfs/dbraw/zinc/08/67/07/711086707.db2.gz MJIPTACHCORTNQ-MEBBXXQBSA-N 1 1 316.348 1.014 20 10 DDCDMO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cccc(Br)c1O ZINC000895328944 711486284 /nfs/dbraw/zinc/48/62/84/711486284.db2.gz HYTKSDRZTGRDAD-GWCFXTLKSA-N 1 1 316.195 1.472 20 10 DDCDMO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cccc(Br)c1O ZINC000895328944 711486285 /nfs/dbraw/zinc/48/62/85/711486285.db2.gz HYTKSDRZTGRDAD-GWCFXTLKSA-N 1 1 316.195 1.472 20 10 DDCDMO COc1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c(O)c1OC ZINC000895363182 711494329 /nfs/dbraw/zinc/49/43/29/711494329.db2.gz VSQLBGNYCFPJSJ-AWEZNQCLSA-N 1 1 322.405 1.316 20 10 DDCDMO COc1ccc(C[NH+]2CCN([C@H]3CCOC3)CC2)c(O)c1OC ZINC000895363182 711494331 /nfs/dbraw/zinc/49/43/31/711494331.db2.gz VSQLBGNYCFPJSJ-AWEZNQCLSA-N 1 1 322.405 1.316 20 10 DDCDMO COc1ccc(N2CCC[N@@H+](CCN3CCOC3=O)CC2)cc1 ZINC000917208341 713487448 /nfs/dbraw/zinc/48/74/48/713487448.db2.gz AHQOUPOSZXPQAV-UHFFFAOYSA-N 1 1 319.405 1.660 20 10 DDCDMO C[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000919907935 713641659 /nfs/dbraw/zinc/64/16/59/713641659.db2.gz ABQROADNGBTKMD-MRXNPFEDSA-N 1 1 300.406 1.566 20 10 DDCDMO COc1ccc(N2CC[NH+](CCO[C@H]3CCOC3)CC2)cc1F ZINC000929824685 713698913 /nfs/dbraw/zinc/69/89/13/713698913.db2.gz XVHXGEDHFCVXPU-HNNXBMFYSA-N 1 1 324.396 1.762 20 10 DDCDMO COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CC[N@H+]3C)C2)cc1 ZINC000923182873 714263716 /nfs/dbraw/zinc/26/37/16/714263716.db2.gz IKZJQSHNKBXNTK-UKRRQHHQSA-N 1 1 318.421 1.277 20 10 DDCDMO Cc1cc(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)ccc1N(C)C ZINC000932946413 714442328 /nfs/dbraw/zinc/44/23/28/714442328.db2.gz FUYSTYLNJYTNSR-AWEZNQCLSA-N 1 1 311.451 1.171 20 10 DDCDMO C[NH+]1CCN(c2ccc(CNc3ncc4nc[nH]c4n3)cc2)CC1 ZINC001167422839 733444192 /nfs/dbraw/zinc/44/41/92/733444192.db2.gz DERUQIMQHHIIET-UHFFFAOYSA-N 1 1 323.404 1.668 20 10 DDCDMO Cn1c(=O)cccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434888 733481798 /nfs/dbraw/zinc/48/17/98/733481798.db2.gz YFGMYSATFWORBS-UHFFFAOYSA-N 1 1 312.417 1.749 20 10 DDCDMO Oc1ccc([C@H](O)CNC2CC[NH+](CC3CC3)CC2)cc1O ZINC001168351083 742215017 /nfs/dbraw/zinc/21/50/17/742215017.db2.gz BULOCLWVHQIJEA-QGZVFWFLSA-N 1 1 306.406 1.595 20 10 DDCDMO CCOc1cccc(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)c1O ZINC001203615687 744209422 /nfs/dbraw/zinc/20/94/22/744209422.db2.gz WVEHEXAHZNAWQS-OAHLLOKOSA-N 1 1 317.389 1.754 20 10 DDCDMO CCOc1cccc(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)c1O ZINC001203615687 744209426 /nfs/dbraw/zinc/20/94/26/744209426.db2.gz WVEHEXAHZNAWQS-OAHLLOKOSA-N 1 1 317.389 1.754 20 10 DDCDMO COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(OC)ccc1O)C2 ZINC001203669998 744617243 /nfs/dbraw/zinc/61/72/43/744617243.db2.gz JQYYGQRPHWMFCX-LRDDRELGSA-N 1 1 307.346 1.022 20 10 DDCDMO CCNC(=O)CO[C@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203879828 747194538 /nfs/dbraw/zinc/19/45/38/747194538.db2.gz IZHIRMJLBWRYLZ-ZDUSSCGKSA-N 1 1 308.378 1.215 20 10 DDCDMO CCNC(=O)CO[C@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203879828 747194544 /nfs/dbraw/zinc/19/45/44/747194544.db2.gz IZHIRMJLBWRYLZ-ZDUSSCGKSA-N 1 1 308.378 1.215 20 10 DDCDMO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001205247445 751310624 /nfs/dbraw/zinc/31/06/24/751310624.db2.gz HTPRWTUWLYSRNN-CQSZACIVSA-N 1 1 302.777 1.860 20 10 DDCDMO [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001205247445 751310627 /nfs/dbraw/zinc/31/06/27/751310627.db2.gz HTPRWTUWLYSRNN-CQSZACIVSA-N 1 1 302.777 1.860 20 10 DDCDMO CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001081026036 756182394 /nfs/dbraw/zinc/18/23/94/756182394.db2.gz KFRGQFCRCMFOLH-ZWNOBZJWSA-N 1 1 303.366 1.919 20 10 DDCDMO CC[N@H+]1CC[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001135732759 771685028 /nfs/dbraw/zinc/68/50/28/771685028.db2.gz FUHCSNIVMYHGNH-KRWDZBQOSA-N 1 1 317.433 1.576 20 10 DDCDMO CC[N@H+](CCC(N)=O)Cc1cc(Br)c(F)cc1O ZINC001144300142 772472175 /nfs/dbraw/zinc/47/21/75/772472175.db2.gz USZOKLYTFPQARU-UHFFFAOYSA-N 1 1 319.174 1.991 20 10 DDCDMO CC[N@@H+](CCC(N)=O)Cc1cc(Br)c(F)cc1O ZINC001144300142 772472180 /nfs/dbraw/zinc/47/21/80/772472180.db2.gz USZOKLYTFPQARU-UHFFFAOYSA-N 1 1 319.174 1.991 20 10 DDCDMO Oc1cc(O)c(C[N@H+]2CC[C@H](Oc3cnccn3)C2)c(O)c1 ZINC001144516213 772558854 /nfs/dbraw/zinc/55/88/54/772558854.db2.gz TYCJDGZMGJIDMA-NSHDSACASA-N 1 1 303.318 1.247 20 10 DDCDMO O=C(c1cc(O)c(O)c(O)c1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001148583236 773538544 /nfs/dbraw/zinc/53/85/44/773538544.db2.gz UZSZJWWAZOPNOM-UHFFFAOYSA-N 1 1 318.373 1.361 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)[C@@H]2CCN(C3CC3)C2=O)cc1 ZINC001118291171 781084887 /nfs/dbraw/zinc/08/48/87/781084887.db2.gz MIOSEOSMBKERNU-QGZVFWFLSA-N 1 1 317.433 1.827 20 10 DDCDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029014320 842567269 /nfs/dbraw/zinc/56/72/69/842567269.db2.gz VPPAPPPPYYLBRE-NSHDSACASA-N 1 1 303.366 1.921 20 10 DDCDMO CCOCCN1CC[C@]2(CCC[N@H+]2Cc2ccccc2O)C1=O ZINC001272618708 846416960 /nfs/dbraw/zinc/41/69/60/846416960.db2.gz NNJJWEQGNIYHQV-GOSISDBHSA-N 1 1 318.417 1.996 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c(OC)c1 ZINC001272816064 847494590 /nfs/dbraw/zinc/49/45/90/847494590.db2.gz YLFHFHSPBFYZLW-KRWDZBQOSA-N 1 1 320.389 1.464 20 10 DDCDMO O=C1N(C2COC2)CC[C@]12CCC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001272903834 847615496 /nfs/dbraw/zinc/61/54/96/847615496.db2.gz ZQFKGPODOQDOML-QGZVFWFLSA-N 1 1 318.373 1.064 20 10 DDCDMO O=C1N(C2COC2)CC[C@]12CCC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001272903834 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CN(C)c1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)c(Cl)c1 ZINC001276156353 854848742 /nfs/dbraw/zinc/84/87/42/854848742.db2.gz RHBNFOCCDZTAKA-GASCZTMLSA-N 1 1 309.841 1.921 20 10 DDCDMO CN(C)c1ccc(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)c(Cl)c1 ZINC001276156353 854848746 /nfs/dbraw/zinc/84/87/46/854848746.db2.gz RHBNFOCCDZTAKA-GASCZTMLSA-N 1 1 309.841 1.921 20 10 DDCDMO Cn1cnc2c1C[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138499816 860120997 /nfs/dbraw/zinc/12/09/97/860120997.db2.gz KALFQRSAFJMTBP-UHFFFAOYSA-N 1 1 312.417 1.815 20 10 DDCDMO Cn1cnc2c1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138499816 860121001 /nfs/dbraw/zinc/12/10/01/860121001.db2.gz KALFQRSAFJMTBP-UHFFFAOYSA-N 1 1 312.417 1.815 20 10 DDCDMO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139413210 860393177 /nfs/dbraw/zinc/39/31/77/860393177.db2.gz SWIUFFMLWVMWQG-MAUKXSAKSA-N 1 1 303.450 1.784 20 10 DDCDMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139413210 860393184 /nfs/dbraw/zinc/39/31/84/860393184.db2.gz SWIUFFMLWVMWQG-MAUKXSAKSA-N 1 1 303.450 1.784 20 10 DDCDMO Oc1ccc(O)c(C[N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c1 ZINC001141163106 860799565 /nfs/dbraw/zinc/79/95/65/860799565.db2.gz PFLLXCTTWJZZRP-ZDUSSCGKSA-N 1 1 305.309 1.680 20 10 DDCDMO Nc1ccc(CCNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC001326131613 861122732 /nfs/dbraw/zinc/12/27/32/861122732.db2.gz BNGXPHSQRZBMGB-INIZCTEOSA-N 1 1 302.422 1.691 20 10 DDCDMO O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001156911614 863440896 /nfs/dbraw/zinc/44/08/96/863440896.db2.gz OHOIBJCPHUSCOR-CQSZACIVSA-N 1 1 320.389 1.010 20 10 DDCDMO NS(=O)(=O)CCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC001329425626 863659453 /nfs/dbraw/zinc/65/94/53/863659453.db2.gz JUBRLMKCYDFBJB-UHFFFAOYSA-N 1 1 312.435 1.815 20 10 DDCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[C@H]1O ZINC001321504958 867634596 /nfs/dbraw/zinc/63/45/96/867634596.db2.gz OLJJORFPAMNIEK-KBXCAEBGSA-N 1 1 321.440 1.780 20 10 DDCDMO OC1CCN(c2ccc(C[N@H+]3CC[C@@](O)(C4CC4)C3)cc2)CC1 ZINC001336754964 869125112 /nfs/dbraw/zinc/12/51/12/869125112.db2.gz OBAHGYHAJSMCFC-IBGZPJMESA-N 1 1 316.445 1.995 20 10 DDCDMO COc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c1O ZINC001203602066 870663595 /nfs/dbraw/zinc/66/35/95/870663595.db2.gz YZDICMPSOKYPFY-TZMCWYRMSA-N 1 1 304.390 1.844 20 10 DDCDMO COc1cccc(C[NH+]2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)c1O ZINC001203601817 870663651 /nfs/dbraw/zinc/66/36/51/870663651.db2.gz MEXRAXDHFVVWOO-BETUJISGSA-N 1 1 306.406 1.694 20 10 DDCDMO COc1cccc(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)c1O ZINC001203601789 870664319 /nfs/dbraw/zinc/66/43/19/870664319.db2.gz LEEHDRGKPNUAOC-CYBMUJFWSA-N 1 1 301.346 1.844 20 10 DDCDMO COc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)c(O)c1 ZINC001203621388 870676972 /nfs/dbraw/zinc/67/69/72/870676972.db2.gz CMXQANVCYHAGPF-BMFZPTHFSA-N 1 1 320.389 1.221 20 10 DDCDMO CC[N@H+]1CCO[C@@H]2CN(Cc3ccc(OC)cc3O)C[C@@H]2C1 ZINC001203628550 870682026 /nfs/dbraw/zinc/68/20/26/870682026.db2.gz BEOIHBRGAHUTKO-WMLDXEAASA-N 1 1 306.406 1.553 20 10 DDCDMO CCN1CCO[C@@H]2C[N@H+](Cc3ccc(OC)cc3O)C[C@@H]2C1 ZINC001203628550 870682036 /nfs/dbraw/zinc/68/20/36/870682036.db2.gz BEOIHBRGAHUTKO-WMLDXEAASA-N 1 1 306.406 1.553 20 10 DDCDMO CCN1CCO[C@@H]2C[N@@H+](Cc3ccc(OC)cc3O)C[C@@H]2C1 ZINC001203628550 870682044 /nfs/dbraw/zinc/68/20/44/870682044.db2.gz BEOIHBRGAHUTKO-WMLDXEAASA-N 1 1 306.406 1.553 20 10 DDCDMO CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccc(O)cc3O)CC[C@H]21 ZINC001204272512 871028956 /nfs/dbraw/zinc/02/89/56/871028956.db2.gz CAXJORVDOOSMDQ-NVXWUHKLSA-N 1 1 320.389 1.310 20 10 DDCDMO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccc(O)cc1O)CCO2 ZINC001204274317 871033564 /nfs/dbraw/zinc/03/35/64/871033564.db2.gz NFDZVFHUVHUOGG-KRWDZBQOSA-N 1 1 320.389 1.311 20 10 DDCDMO CC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccc(O)cc1O)CCO2 ZINC001204274317 871033586 /nfs/dbraw/zinc/03/35/86/871033586.db2.gz NFDZVFHUVHUOGG-KRWDZBQOSA-N 1 1 320.389 1.311 20 10 DDCDMO COc1cc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)cc(O)c1O ZINC001204350386 871072063 /nfs/dbraw/zinc/07/20/63/871072063.db2.gz 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/nfs/dbraw/zinc/31/45/27/702314527.db2.gz OMHPWIOVLNZEKQ-AEFFLSMTSA-N 1 1 300.450 1.232 20 10 DDCDMO CN(C)c1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000817389766 702368250 /nfs/dbraw/zinc/36/82/50/702368250.db2.gz BPNKENUHGHEXNB-INIZCTEOSA-N 1 1 304.438 1.988 20 10 DDCDMO COc1c(O)c(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000817412349 702372905 /nfs/dbraw/zinc/37/29/05/702372905.db2.gz IZNPMWYBSCAHCS-MNOVXSKESA-N 1 1 310.350 1.759 20 10 DDCDMO COc1c(O)c(C[N@H+]2C[C@H](C)C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000817412349 702372912 /nfs/dbraw/zinc/37/29/12/702372912.db2.gz IZNPMWYBSCAHCS-MNOVXSKESA-N 1 1 310.350 1.759 20 10 DDCDMO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(Cl)cc1O ZINC000841759278 702557682 /nfs/dbraw/zinc/55/76/82/702557682.db2.gz YASKXWQJAGNPMO-SNVBAGLBSA-N 1 1 310.785 1.870 20 10 DDCDMO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000841824112 702573251 /nfs/dbraw/zinc/57/32/51/702573251.db2.gz KFJITSNPMQRBLZ-QGZVFWFLSA-N 1 1 322.428 1.904 20 10 DDCDMO C[C@H]1C[C@H](N(C)C(=O)NCCc2ccc(N)cc2)CC[N@H+]1C ZINC000841955077 702634589 /nfs/dbraw/zinc/63/45/89/702634589.db2.gz UJQCODDGYJBURW-XJKSGUPXSA-N 1 1 304.438 1.935 20 10 DDCDMO O=C1CNCCN1[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000843065410 702811957 /nfs/dbraw/zinc/81/19/57/702811957.db2.gz LZKBSRNDZKUYRH-LBPRGKRZSA-N 1 1 323.824 1.442 20 10 DDCDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)C[C@H](C)O1 ZINC000844740097 703066687 /nfs/dbraw/zinc/06/66/87/703066687.db2.gz DXJODXIYRVGOSY-NHYWBVRUSA-N 1 1 309.362 1.472 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)c(C)cc2O)C[C@H](C)O1 ZINC000844740097 703066689 /nfs/dbraw/zinc/06/66/89/703066689.db2.gz DXJODXIYRVGOSY-NHYWBVRUSA-N 1 1 309.362 1.472 20 10 DDCDMO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000846032729 703229402 /nfs/dbraw/zinc/22/94/02/703229402.db2.gz GXMRTEDHAABOAG-QMMMGPOBSA-N 1 1 322.789 1.308 20 10 DDCDMO COCC[N@H+](Cc1cc(OC)ccc1O)C[C@@H](O)C(F)(F)F ZINC000848922700 703604055 /nfs/dbraw/zinc/60/40/55/703604055.db2.gz 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704369039 /nfs/dbraw/zinc/36/90/39/704369039.db2.gz XLOGKSLTNOAQLC-KDOFPFPSSA-N 1 1 303.450 1.735 20 10 DDCDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc(O)c1O ZINC000854642061 704431811 /nfs/dbraw/zinc/43/18/11/704431811.db2.gz IKMNAUZBZWFDSE-OLZOCXBDSA-N 1 1 306.362 1.033 20 10 DDCDMO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1F ZINC000858141276 704669907 /nfs/dbraw/zinc/66/99/07/704669907.db2.gz OPQLLOQYNSEYNZ-NSHDSACASA-N 1 1 318.389 1.698 20 10 DDCDMO CC[C@@H]1C[N@@H+](C)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000823195316 705168725 /nfs/dbraw/zinc/16/87/25/705168725.db2.gz UPQLVUJSRMZSNR-MRXNPFEDSA-N 1 1 318.465 1.395 20 10 DDCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCc3nn(C)c(=O)cc3C2)cc1 ZINC000835028262 707158301 /nfs/dbraw/zinc/15/83/01/707158301.db2.gz KXFXKCUXHADERA-PLNGDYQASA-N 1 1 324.428 1.918 20 10 DDCDMO COc1ccc(N2CCC[N@@H+](C[C@@](C)(O)C(C)=O)CC2)cc1 ZINC000827468487 706008112 /nfs/dbraw/zinc/00/81/12/706008112.db2.gz SQVAPKJHQINSHG-QGZVFWFLSA-N 1 1 306.406 1.547 20 10 DDCDMO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1(CO)CC1 ZINC000877461315 706113764 /nfs/dbraw/zinc/11/37/64/706113764.db2.gz DMYNBVDQFUGQGP-UHFFFAOYSA-N 1 1 304.434 1.852 20 10 DDCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000877517087 706129911 /nfs/dbraw/zinc/12/99/11/706129911.db2.gz ITAUCJFENLXTEQ-YVEFUNNKSA-N 1 1 317.389 1.653 20 10 DDCDMO CN1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC1=O ZINC000877630851 706165065 /nfs/dbraw/zinc/16/50/65/706165065.db2.gz BFGNVOJFGXOMHC-UHFFFAOYSA-N 1 1 317.433 1.312 20 10 DDCDMO CC1(C)OC[C@@H]([C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)O1 ZINC000877784511 706210637 /nfs/dbraw/zinc/21/06/37/706210637.db2.gz HOPQIXUXCYKLOO-GJZGRUSLSA-N 1 1 311.353 1.884 20 10 DDCDMO CC1(C)OC[C@@H]([C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)O1 ZINC000877784511 706210639 /nfs/dbraw/zinc/21/06/39/706210639.db2.gz HOPQIXUXCYKLOO-GJZGRUSLSA-N 1 1 311.353 1.884 20 10 DDCDMO CCc1cccc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000877788755 706213721 /nfs/dbraw/zinc/21/37/21/706213721.db2.gz GQEGEIWMHWGNGW-CABCVRRESA-N 1 1 309.431 1.821 20 10 DDCDMO CCN(C)c1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1 ZINC000880071967 706870874 /nfs/dbraw/zinc/87/08/74/706870874.db2.gz QNZONLAGHYGRGC-ZWKOTPCHSA-N 1 1 303.450 1.784 20 10 DDCDMO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1cc(Br)c(F)cc1O ZINC000834897791 707146644 /nfs/dbraw/zinc/14/66/44/707146644.db2.gz VSXFCQODWZHEBM-ISROVCFRSA-N 1 1 320.158 1.704 20 10 DDCDMO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cc(C)c(C)cc3O)C2)C1 ZINC000872709208 707566126 /nfs/dbraw/zinc/56/61/26/707566126.db2.gz KAFAXBLMIRKCQR-KRWDZBQOSA-N 1 1 318.373 1.903 20 10 DDCDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000883421299 707997530 /nfs/dbraw/zinc/99/75/30/707997530.db2.gz HXGTVFRHMMIEFA-MRXNPFEDSA-N 1 1 304.438 1.954 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H]2COC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000898381729 708627848 /nfs/dbraw/zinc/62/78/48/708627848.db2.gz LMNPSNGPGRZSAR-NWDGAFQWSA-N 1 1 308.334 1.824 20 10 DDCDMO C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1c(O)cccc1F ZINC000886646663 708805066 /nfs/dbraw/zinc/80/50/66/708805066.db2.gz PLDRTTOPDKVOFY-BONVTDFDSA-N 1 1 310.325 1.403 20 10 DDCDMO COc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(O)c1OC ZINC000891853533 710309854 /nfs/dbraw/zinc/30/98/54/710309854.db2.gz PMFIVZNNZBTQJP-GFCCVEGCSA-N 1 1 306.362 1.216 20 10 DDCDMO COc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)c(O)c1OC ZINC000891853533 710309856 /nfs/dbraw/zinc/30/98/56/710309856.db2.gz PMFIVZNNZBTQJP-GFCCVEGCSA-N 1 1 306.362 1.216 20 10 DDCDMO OCCN1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc2c(cc1O)CCC2 ZINC000902645462 710837834 /nfs/dbraw/zinc/83/78/34/710837834.db2.gz WJFWPMNUZVQMPJ-MSOLQXFVSA-N 1 1 316.445 1.912 20 10 DDCDMO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911667248 710916998 /nfs/dbraw/zinc/91/69/98/710916998.db2.gz PARXFBNWGNJZCJ-MLGOLLRUSA-N 1 1 315.421 1.471 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCN2CCCOCC2)c1 ZINC000903227289 711073162 /nfs/dbraw/zinc/07/31/62/711073162.db2.gz KJBADJQSDPCADT-ZDUSSCGKSA-N 1 1 322.405 1.552 20 10 DDCDMO C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1c(O)cccc1F ZINC000903291500 711091431 /nfs/dbraw/zinc/09/14/31/711091431.db2.gz AHVFNLGDVFLLEV-LLVKDONJSA-N 1 1 316.398 1.608 20 10 DDCDMO CCOCC[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000905426735 712035011 /nfs/dbraw/zinc/03/50/11/712035011.db2.gz IREVWQGOJQMNIF-SFHVURJKSA-N 1 1 321.465 1.316 20 10 DDCDMO COc1ccc(N2CCC[N@H+]([C@@H]3CCN(OC)C3=O)CC2)cc1 ZINC000929316418 713588254 /nfs/dbraw/zinc/58/82/54/713588254.db2.gz PVATVQDKXHVTCY-MRXNPFEDSA-N 1 1 319.405 1.370 20 10 DDCDMO COC(=O)/C=C\c1ccc(N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000931280825 714055942 /nfs/dbraw/zinc/05/59/42/714055942.db2.gz SZDCSLCSLOUUEM-ALCCZGGFSA-N 1 1 319.361 1.923 20 10 DDCDMO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000931698179 714163781 /nfs/dbraw/zinc/16/37/81/714163781.db2.gz KVTFYHDYCKXUGC-MSOLQXFVSA-N 1 1 320.433 1.759 20 10 DDCDMO CO[C@@H]1CC[C@H]1[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000934126468 714749887 /nfs/dbraw/zinc/74/98/87/714749887.db2.gz PUDFCIMLVKFUBZ-IAGOWNOFSA-N 1 1 319.449 1.820 20 10 DDCDMO C[C@H]([NH2+][C@@H]1CNOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000925863906 714953592 /nfs/dbraw/zinc/95/35/92/714953592.db2.gz ODOCXUJAMUWAIW-NWDGAFQWSA-N 1 1 311.813 1.731 20 10 DDCDMO CCC(=O)NC1CC[NH+](Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204344920 743659568 /nfs/dbraw/zinc/65/95/68/743659568.db2.gz LHYLYGRMTNPSKM-UHFFFAOYSA-N 1 1 308.378 1.597 20 10 DDCDMO COc1c(O)c(C[NH2+]CCC[C@H]2CCOC2=O)ccc1[N+](=O)[O-] ZINC001183663596 743888871 /nfs/dbraw/zinc/88/88/71/743888871.db2.gz YIKHAUDJODFUOH-JTQLQIEISA-N 1 1 324.333 1.742 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(OC)c1 ZINC001205681532 746502264 /nfs/dbraw/zinc/50/22/64/746502264.db2.gz KVCPAFAKHQNCJL-MRXNPFEDSA-N 1 1 310.394 1.085 20 10 DDCDMO COc1cc(O)c(CN2CCCC[C@@](O)(C[NH3+])C2)c(OC)c1 ZINC001205681532 746502267 /nfs/dbraw/zinc/50/22/67/746502267.db2.gz KVCPAFAKHQNCJL-MRXNPFEDSA-N 1 1 310.394 1.085 20 10 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COC(=O)Cc1ccc(C[N@H+]2CCC[C@H]3CN(C)C[C@H]32)c(O)c1 ZINC001249207313 893867912 /nfs/dbraw/zinc/86/79/12/893867912.db2.gz BHRRRCMKJNIUCN-GOEBONIOSA-N 1 1 318.417 1.634 20 10 DDCDMO COC(=O)Cc1ccc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c(O)c1 ZINC001249207313 893867933 /nfs/dbraw/zinc/86/79/33/893867933.db2.gz BHRRRCMKJNIUCN-GOEBONIOSA-N 1 1 318.417 1.634 20 10 DDCDMO COC(=O)Cc1ccc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)c(O)c1 ZINC001249207313 893867948 /nfs/dbraw/zinc/86/79/48/893867948.db2.gz BHRRRCMKJNIUCN-GOEBONIOSA-N 1 1 318.417 1.634 20 10 DDCDMO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCO[C@@H](C(N)=O)C3)ccc2O1 ZINC001249252438 893897867 /nfs/dbraw/zinc/89/78/67/893897867.db2.gz JRKJVMKFTBWTIL-CQSZACIVSA-N 1 1 318.373 1.263 20 10 DDCDMO CC1(C)C=Cc2c(O)c(C[N@H+]3CCO[C@@H](C(N)=O)C3)ccc2O1 ZINC001249252438 893897881 /nfs/dbraw/zinc/89/78/81/893897881.db2.gz JRKJVMKFTBWTIL-CQSZACIVSA-N 1 1 318.373 1.263 20 10 DDCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](OCCO)C2)c1O ZINC000079436627 185171563 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SWHNMPWKZSVWCX-GFCCVEGCSA-N 1 1 307.268 1.223 20 10 DDCDMO Oc1ccc(C[N@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001204276887 871037695 /nfs/dbraw/zinc/03/76/95/871037695.db2.gz SWHNMPWKZSVWCX-GFCCVEGCSA-N 1 1 307.268 1.223 20 10 DDCDMO C[N@@H+](Cc1ccc(Cl)cc1O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC001205951035 871947741 /nfs/dbraw/zinc/94/77/41/871947741.db2.gz GEUGLPNZOUZUAM-LBPRGKRZSA-N 1 1 318.826 1.511 20 10 DDCDMO CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)N(C)C)CC2)cc1 ZINC001319613222 872717229 /nfs/dbraw/zinc/71/72/29/872717229.db2.gz SHUPINTZIOOPGC-AWEZNQCLSA-N 1 1 305.422 1.684 20 10 DDCDMO CN1CCO[C@@]2(CCC[N@@H+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516449 873122530 /nfs/dbraw/zinc/12/25/30/873122530.db2.gz CHOCSFCXMDFDGI-INIZCTEOSA-N 1 1 308.378 1.100 20 10 DDCDMO Cc1cc(N)[nH+]cc1N(C)S(=O)(=O)CCc1ccc(N)cc1 ZINC001209970099 875180643 /nfs/dbraw/zinc/18/06/43/875180643.db2.gz UQVKZNNNZXNYOR-UHFFFAOYSA-N 1 1 320.418 1.563 20 10 DDCDMO CCOc1cccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N(C)C)C2)c1O ZINC001277454062 884444730 /nfs/dbraw/zinc/44/47/30/884444730.db2.gz MEPYVXLNVUWJHY-CXAGYDPISA-N 1 1 304.390 1.701 20 10 DDCDMO CN(C)C(=O)[C@@H]1COCCC12C[NH+](Cc1c(O)cccc1F)C2 ZINC001277483768 885180534 /nfs/dbraw/zinc/18/05/34/885180534.db2.gz AUUDHPYGFVCPLL-ZDUSSCGKSA-N 1 1 322.380 1.458 20 10 DDCDMO Cc1cccc(C[N@@H+]2CCN(C3CCOCC3)C(=O)C2)c1O ZINC001231594199 885754465 /nfs/dbraw/zinc/75/44/65/885754465.db2.gz WRJKFHUHMKXBAH-UHFFFAOYSA-N 1 1 304.390 1.524 20 10 DDCDMO Cc1cccc(C[N@H+]2CCN(C3CCOCC3)C(=O)C2)c1O ZINC001231594199 885754476 /nfs/dbraw/zinc/75/44/76/885754476.db2.gz WRJKFHUHMKXBAH-UHFFFAOYSA-N 1 1 304.390 1.524 20 10 DDCDMO COc1cc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c(O)cc1O ZINC001231633660 885770017 /nfs/dbraw/zinc/77/00/17/885770017.db2.gz RTBMANICUOFAAV-IXPVHAAZSA-N 1 1 309.362 1.078 20 10 DDCDMO COc1cc(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c(O)cc1O ZINC001231633660 885770029 /nfs/dbraw/zinc/77/00/29/885770029.db2.gz RTBMANICUOFAAV-IXPVHAAZSA-N 1 1 309.362 1.078 20 10 DDCDMO COC(=O)CC[C@@H]1CC[N@@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231637575 885775927 /nfs/dbraw/zinc/77/59/27/885775927.db2.gz NBSVIHDIXXVNDR-LLVKDONJSA-N 1 1 309.362 1.882 20 10 DDCDMO CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231910438 885940104 /nfs/dbraw/zinc/94/01/04/885940104.db2.gz PURHJASFMDMJCM-CZUORRHYSA-N 1 1 324.808 1.773 20 10 DDCDMO COC(=O)c1c(C[N@H+]2CCC[C@H](O)C2)c2ccccc2n1C ZINC001232402041 886338523 /nfs/dbraw/zinc/33/85/23/886338523.db2.gz SADCSZKXNBHQCQ-LBPRGKRZSA-N 1 1 302.374 1.922 20 10 DDCDMO CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232842064 886629061 /nfs/dbraw/zinc/62/90/61/886629061.db2.gz YRRDXNYBUOHRHC-ZDUSSCGKSA-N 1 1 306.410 1.352 20 10 DDCDMO CN(C)c1ccc(C[NH+]2CCN(CCC(C)(C)O)CC2)c(O)c1 ZINC001232841937 886629138 /nfs/dbraw/zinc/62/91/38/886629138.db2.gz UVTALYIHIYQBET-UHFFFAOYSA-N 1 1 321.465 1.737 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c(O)c1 ZINC001232841478 886629493 /nfs/dbraw/zinc/62/94/93/886629493.db2.gz IBVUASHHXCJQBY-BBRMVZONSA-N 1 1 317.433 1.901 20 10 DDCDMO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232842327 886630244 /nfs/dbraw/zinc/63/02/44/886630244.db2.gz XWJQWKGGGIDVKX-HNNXBMFYSA-N 1 1 322.405 1.612 20 10 DDCDMO COC(=O)CC[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1O ZINC001232842327 886630257 /nfs/dbraw/zinc/63/02/57/886630257.db2.gz XWJQWKGGGIDVKX-HNNXBMFYSA-N 1 1 322.405 1.612 20 10 DDCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)c1O ZINC001233287790 886899216 /nfs/dbraw/zinc/89/92/16/886899216.db2.gz HLYOISGRTORHJR-HIFRSBDPSA-N 1 1 315.797 1.619 20 10 DDCDMO COc1ccc(CN2CCOC[C@@H]2C[NH+](C)C)c(O)c1Cl ZINC001236805841 889364184 /nfs/dbraw/zinc/36/41/84/889364184.db2.gz FQLOKLVDJBNQPI-LBPRGKRZSA-N 1 1 314.813 1.817 20 10 DDCDMO COc1cc(C)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c(O)c1 ZINC001236809035 889369603 /nfs/dbraw/zinc/36/96/03/889369603.db2.gz DAZLYMFFMYZTAP-QLPKVWCKSA-N 1 1 318.417 1.912 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3CO)c(F)c2)CC1 ZINC001236935991 889430786 /nfs/dbraw/zinc/43/07/86/889430786.db2.gz NFPWYFGAGDXCDP-MRXNPFEDSA-N 1 1 307.413 1.534 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CO)c(F)c2)CC1 ZINC001236935991 889430794 /nfs/dbraw/zinc/43/07/94/889430794.db2.gz NFPWYFGAGDXCDP-MRXNPFEDSA-N 1 1 307.413 1.534 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)c(O)c1 ZINC001249173036 893848387 /nfs/dbraw/zinc/84/83/87/893848387.db2.gz QAUJFPFNIYCPQL-ZIAGYGMSSA-N 1 1 311.353 1.403 20 10 DDCDMO CCN1CCC[N@@H+](Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249172437 893851330 /nfs/dbraw/zinc/85/13/30/893851330.db2.gz MQPYTLDNPYKAER-UHFFFAOYSA-N 1 1 306.406 1.635 20 10 DDCDMO CC[N@@H+]1CCCN(Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249172437 893851349 /nfs/dbraw/zinc/85/13/49/893851349.db2.gz MQPYTLDNPYKAER-UHFFFAOYSA-N 1 1 306.406 1.635 20 10 DDCDMO CC[N@H+]1CCCN(Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249172437 893851374 /nfs/dbraw/zinc/85/13/74/893851374.db2.gz MQPYTLDNPYKAER-UHFFFAOYSA-N 1 1 306.406 1.635 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c(O)c1 ZINC001249173571 893852396 /nfs/dbraw/zinc/85/23/96/893852396.db2.gz UDQOTIHQXQOTJH-IUODEOHRSA-N 1 1 307.390 1.701 20 10 DDCDMO COC(=O)Cc1ccc(C[N@@H+](C)Cc2cc(C)nn2C)c(O)c1 ZINC001249201464 893864601 /nfs/dbraw/zinc/86/46/01/893864601.db2.gz TXDOMDUMZLHZRO-UHFFFAOYSA-N 1 1 317.389 1.782 20 10 DDCDMO COC(=O)Cc1ccc(C[NH+]2CCC(N3CCC3)CC2)c(O)c1 ZINC001249217856 893876024 /nfs/dbraw/zinc/87/60/24/893876024.db2.gz STOQHIAHBMQZFW-UHFFFAOYSA-N 1 1 318.417 1.778 20 10 DDCDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000016080012 352157487 /nfs/dbraw/zinc/15/74/87/352157487.db2.gz BRMAPNVKPBNTCH-NSHDSACASA-N 1 1 307.346 1.896 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C[C@H]2CCCO2)cc1 ZINC000052102527 352599551 /nfs/dbraw/zinc/59/95/51/352599551.db2.gz VQWLRHXFRPCABD-QGZVFWFLSA-N 1 1 319.449 1.822 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)C[C@H]2CCCO2)cc1 ZINC000052102527 352599554 /nfs/dbraw/zinc/59/95/54/352599554.db2.gz VQWLRHXFRPCABD-QGZVFWFLSA-N 1 1 319.449 1.822 20 10 DDCDMO CCN1CCN([C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)CC1 ZINC000093132618 193206431 /nfs/dbraw/zinc/20/64/31/193206431.db2.gz UXBQDUPAHYWKAZ-LJQANCHMSA-N 1 1 316.493 1.964 20 10 DDCDMO CCN1CCN([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)CC1 ZINC000093132618 193206432 /nfs/dbraw/zinc/20/64/32/193206432.db2.gz UXBQDUPAHYWKAZ-LJQANCHMSA-N 1 1 316.493 1.964 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)cc1OC ZINC000179441513 407788936 /nfs/dbraw/zinc/78/89/36/407788936.db2.gz FQAYKQRGVKTLHH-ZDUSSCGKSA-N 1 1 320.389 1.652 20 10 DDCDMO CCC[N@@H+](CCCNS(=O)(=O)CC)Cc1ccccc1O ZINC000133214030 407827019 /nfs/dbraw/zinc/82/70/19/407827019.db2.gz WOWMNXWIIIBOKL-UHFFFAOYSA-N 1 1 314.451 1.934 20 10 DDCDMO Cn1cc(N2CCC[C@H]([N@@H+](C)Cc3ccccc3O)C2=O)cn1 ZINC000119532063 408091086 /nfs/dbraw/zinc/09/10/86/408091086.db2.gz ORFSPAYWXLEMRC-HNNXBMFYSA-N 1 1 314.389 1.753 20 10 DDCDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000184701970 408669766 /nfs/dbraw/zinc/66/97/66/408669766.db2.gz PXAWSMLLJOEXTN-SECBINFHSA-N 1 1 300.786 1.868 20 10 DDCDMO O=C(NCc1ccc(O)c(O)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000292128623 408986157 /nfs/dbraw/zinc/98/61/57/408986157.db2.gz KZFADAPOBPVVBH-UHFFFAOYSA-N 1 1 317.345 1.612 20 10 DDCDMO CCCC[N@@H+](CCC(=O)NCC(=O)OC)Cc1ccccc1O ZINC000282412658 409049343 /nfs/dbraw/zinc/04/93/43/409049343.db2.gz IRAMPWQRODKTBD-UHFFFAOYSA-N 1 1 322.405 1.674 20 10 DDCDMO COc1cccc(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)c1O ZINC000290179952 409315710 /nfs/dbraw/zinc/31/57/10/409315710.db2.gz SWMATFQNUYKMFE-GFCCVEGCSA-N 1 1 315.373 1.785 20 10 DDCDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000295086347 409318446 /nfs/dbraw/zinc/31/84/46/409318446.db2.gz RALPEJNDDPSHGU-INIZCTEOSA-N 1 1 309.362 1.412 20 10 DDCDMO Cc1cc(O)c(C[NH+]2CC(n3cc([C@@H](C)O)nn3)C2)cc1C ZINC000374819529 418564849 /nfs/dbraw/zinc/56/48/49/418564849.db2.gz NVQVZKLJXNBXRK-GFCCVEGCSA-N 1 1 302.378 1.711 20 10 DDCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)c1O ZINC000368247482 418709687 /nfs/dbraw/zinc/70/96/87/418709687.db2.gz ZVKHDPRBMXUXMT-AAEUAGOBSA-N 1 1 306.337 1.302 20 10 DDCDMO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000368033207 418676885 /nfs/dbraw/zinc/67/68/85/418676885.db2.gz DIJWSNPTPLVQOU-KWEXDPCDSA-N 1 1 318.373 1.044 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000362047558 418745009 /nfs/dbraw/zinc/74/50/09/418745009.db2.gz SELYXYMEDIBRBK-CYBMUJFWSA-N 1 1 305.378 1.390 20 10 DDCDMO CNC(=O)NC[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000530101718 421578010 /nfs/dbraw/zinc/57/80/10/421578010.db2.gz CQISREFWQJHWIP-OAHLLOKOSA-N 1 1 319.405 1.011 20 10 DDCDMO CNC(=O)NC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000530101718 421578014 /nfs/dbraw/zinc/57/80/14/421578014.db2.gz CQISREFWQJHWIP-OAHLLOKOSA-N 1 1 319.405 1.011 20 10 DDCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)c1 ZINC000185392193 295167190 /nfs/dbraw/zinc/16/71/90/295167190.db2.gz RTUHBFYTYSMSEV-UONOGXRCSA-N 1 1 307.438 1.687 20 10 DDCDMO CCCOc1ccc(C[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)c(O)c1 ZINC000365653751 520351898 /nfs/dbraw/zinc/35/18/98/520351898.db2.gz FPBOZHHSPLYAAW-ZFWWWQNUSA-N 1 1 304.390 1.749 20 10 DDCDMO COC[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000265754098 522474291 /nfs/dbraw/zinc/47/42/91/522474291.db2.gz FXDNRTGJGFDHJG-MRXNPFEDSA-N 1 1 319.449 1.679 20 10 DDCDMO COc1cc(O)c(CN2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cc1OC ZINC000364905180 522778483 /nfs/dbraw/zinc/77/84/83/522778483.db2.gz MVQNSJZZUSZQNC-OCCSQVGLSA-N 1 1 306.406 1.935 20 10 DDCDMO Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(O)c1O ZINC000182823529 526132292 /nfs/dbraw/zinc/13/22/92/526132292.db2.gz MPVKXMWEJXWCDX-OCCSQVGLSA-N 1 1 304.390 1.963 20 10 DDCDMO CN(C[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1)S(C)(=O)=O ZINC000289361715 536424621 /nfs/dbraw/zinc/42/46/21/536424621.db2.gz KKMWVBXWUGMGRZ-ZDUSSCGKSA-N 1 1 312.435 1.496 20 10 DDCDMO COCCOCC[NH2+]Cc1cccc(Br)c1O ZINC000044694515 696167912 /nfs/dbraw/zinc/16/79/12/696167912.db2.gz UHMKSCFJTFZERJ-UHFFFAOYSA-N 1 1 304.184 1.907 20 10 DDCDMO CCNC(=O)CN1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000126420370 696761794 /nfs/dbraw/zinc/76/17/94/696761794.db2.gz HSSFRQGYTAUDRF-UHFFFAOYSA-N 1 1 304.438 1.006 20 10 DDCDMO C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000748552366 700124791 /nfs/dbraw/zinc/12/47/91/700124791.db2.gz YKOUHZAXSZHCQL-MRXNPFEDSA-N 1 1 319.474 1.950 20 10 DDCDMO CC(=O)NC[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000179443306 697437688 /nfs/dbraw/zinc/43/76/88/697437688.db2.gz BVVXNGBITYDTLC-QGZVFWFLSA-N 1 1 318.417 1.608 20 10 DDCDMO CC(=O)NC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000179443306 697437690 /nfs/dbraw/zinc/43/76/90/697437690.db2.gz BVVXNGBITYDTLC-QGZVFWFLSA-N 1 1 318.417 1.608 20 10 DDCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000184722552 697506745 /nfs/dbraw/zinc/50/67/45/697506745.db2.gz ZITMFWFVERTCHK-UHFFFAOYSA-N 1 1 318.417 1.862 20 10 DDCDMO COCCN1CCC[N@H+](Cc2cc(OC)c(C)cc2O)CC1=O ZINC000189281175 697574160 /nfs/dbraw/zinc/57/41/60/697574160.db2.gz WNNSILMYDPNINR-UHFFFAOYSA-N 1 1 322.405 1.390 20 10 DDCDMO COCCN1CCC[N@@H+](Cc2cc(OC)c(C)cc2O)CC1=O ZINC000189281175 697574163 /nfs/dbraw/zinc/57/41/63/697574163.db2.gz WNNSILMYDPNINR-UHFFFAOYSA-N 1 1 322.405 1.390 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CCC[C@H](CCO)C2)ccc1[N+](=O)[O-] ZINC000774876573 697936677 /nfs/dbraw/zinc/93/66/77/697936677.db2.gz BAFZKOADGBILHG-LLVKDONJSA-N 1 1 310.350 1.903 20 10 DDCDMO COc1c(O)c(C[N@H+]2CCC[C@H](CCO)C2)ccc1[N+](=O)[O-] ZINC000774876573 697936681 /nfs/dbraw/zinc/93/66/81/697936681.db2.gz BAFZKOADGBILHG-LLVKDONJSA-N 1 1 310.350 1.903 20 10 DDCDMO COC[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)OC ZINC000781417468 698617734 /nfs/dbraw/zinc/61/77/34/698617734.db2.gz YYSPHSSMCPKNQS-KRWDZBQOSA-N 1 1 307.438 1.189 20 10 DDCDMO CN(C)C1(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)CCC1 ZINC000783548939 698851737 /nfs/dbraw/zinc/85/17/37/698851737.db2.gz YGFZQTZRRIALGM-OAHLLOKOSA-N 1 1 306.406 1.734 20 10 DDCDMO CN(C)C1(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)CCC1 ZINC000783548939 698851742 /nfs/dbraw/zinc/85/17/42/698851742.db2.gz YGFZQTZRRIALGM-OAHLLOKOSA-N 1 1 306.406 1.734 20 10 DDCDMO Cc1c(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cnn1C ZINC000790420685 699458327 /nfs/dbraw/zinc/45/83/27/699458327.db2.gz JJIOOIHQCVSSJY-HNNXBMFYSA-N 1 1 303.362 1.492 20 10 DDCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1O ZINC000790937179 699604026 /nfs/dbraw/zinc/60/40/26/699604026.db2.gz LAKSEYBHWPRMPH-MRXNPFEDSA-N 1 1 308.397 1.865 20 10 DDCDMO CCOC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000741241302 699823875 /nfs/dbraw/zinc/82/38/75/699823875.db2.gz IFOYEAZBFSNOLQ-INIZCTEOSA-N 1 1 305.374 1.645 20 10 DDCDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000741241302 699823877 /nfs/dbraw/zinc/82/38/77/699823877.db2.gz IFOYEAZBFSNOLQ-INIZCTEOSA-N 1 1 305.374 1.645 20 10 DDCDMO OC[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)[C@H]1CCOC1 ZINC000795582193 699876769 /nfs/dbraw/zinc/87/67/69/699876769.db2.gz JGYFVADPWJLMSZ-UWVGGRQHSA-N 1 1 303.761 1.919 20 10 DDCDMO COc1ccc(N2CC[NH+](CCNc3ncccn3)CC2)cc1 ZINC000742928000 699894518 /nfs/dbraw/zinc/89/45/18/699894518.db2.gz FUTIGSLIUZMEBE-UHFFFAOYSA-N 1 1 313.405 1.719 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CCN(C(C)=O)CC2)c1 ZINC000756365089 700617704 /nfs/dbraw/zinc/61/77/04/700617704.db2.gz XCZRVCZLLNMWPZ-NSHDSACASA-N 1 1 320.389 1.840 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCOCC3(CCC3)C1)[C@H](O)CO2 ZINC000758985917 700732072 /nfs/dbraw/zinc/73/20/72/700732072.db2.gz DWFWZKAQCIOZCZ-OAHLLOKOSA-N 1 1 305.374 1.821 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC2(C)OCCO2)c1 ZINC000760883402 700827579 /nfs/dbraw/zinc/82/75/79/700827579.db2.gz MWZUZZKIDYKJSO-LLVKDONJSA-N 1 1 309.362 1.983 20 10 DDCDMO C[N@@H+](CCc1cnccn1)Cc1ccc(N2CCOCC2)cc1 ZINC000761215593 700850761 /nfs/dbraw/zinc/85/07/61/700850761.db2.gz SQKUCIKZOVMQQX-UHFFFAOYSA-N 1 1 312.417 1.988 20 10 DDCDMO 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CCN1OC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000851897877 703880390 /nfs/dbraw/zinc/88/03/90/703880390.db2.gz RXDMNFCEQMDFGJ-BBRMVZONSA-N 1 1 319.405 1.336 20 10 DDCDMO CC[C@@H](O)C[NH2+]Cc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000819033140 704055997 /nfs/dbraw/zinc/05/59/97/704055997.db2.gz NXXLUYLCPHGEDJ-OAHLLOKOSA-N 1 1 309.429 1.828 20 10 DDCDMO CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(C)cc1O ZINC000854233316 704369629 /nfs/dbraw/zinc/36/96/29/704369629.db2.gz XUEOWAMLJBEONB-ZDUSSCGKSA-N 1 1 302.378 1.896 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCOC[C@H]2OC)c1 ZINC000834880780 707146017 /nfs/dbraw/zinc/14/60/17/707146017.db2.gz QGANIAYXSIPEJL-NORZTCDRSA-N 1 1 323.389 1.881 20 10 DDCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1Cl ZINC000824813708 705533672 /nfs/dbraw/zinc/53/36/72/705533672.db2.gz HYBDTNMLYBYYDH-LLVKDONJSA-N 1 1 318.826 1.607 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]CCCn3cncn3)cc2)CC1 ZINC000862277862 705693210 /nfs/dbraw/zinc/69/32/10/705693210.db2.gz 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ZINC000907493280 712585438 /nfs/dbraw/zinc/58/54/38/712585438.db2.gz PXULIRDIJBJWMO-RDTXWAMCSA-N 1 1 319.449 1.777 20 10 DDCDMO C[C@H](NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000907494033 712585528 /nfs/dbraw/zinc/58/55/28/712585528.db2.gz WWSFHTBZWGCFKN-YLQAJVPDSA-N 1 1 305.422 1.385 20 10 DDCDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@H]2C1 ZINC000907805860 712629219 /nfs/dbraw/zinc/62/92/19/712629219.db2.gz VCOXBAURAFCCHC-PHIMTYICSA-N 1 1 318.398 1.946 20 10 DDCDMO CN(Cc1ccccc1O)S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000914145366 713347963 /nfs/dbraw/zinc/34/79/63/713347963.db2.gz SWKIJWZTMBTYND-INIZCTEOSA-N 1 1 324.446 1.640 20 10 DDCDMO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000920277609 713659406 /nfs/dbraw/zinc/65/94/06/713659406.db2.gz HCLLNNUIZMRGGL-CQSZACIVSA-N 1 1 302.422 1.789 20 10 DDCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)C1(O)CCOCC1 ZINC000929753422 713682652 /nfs/dbraw/zinc/68/26/52/713682652.db2.gz PWWOLVQYMIAHTR-INIZCTEOSA-N 1 1 309.406 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ZINC001140063133 860567339 /nfs/dbraw/zinc/56/73/39/860567339.db2.gz LKCACJNRTBETBH-CXAGYDPISA-N 1 1 322.380 1.601 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](NC(C)=O)C2)c(OC)c1 ZINC001141028189 860765587 /nfs/dbraw/zinc/76/55/87/860765587.db2.gz FHLGUGOUAILEAI-GFCCVEGCSA-N 1 1 308.378 1.510 20 10 DDCDMO CN1CCOc2cc(C[N@@H+]3CCO[C@@H]4C[C@H](CO)C[C@H]43)ccc21 ZINC001141139764 860793770 /nfs/dbraw/zinc/79/37/70/860793770.db2.gz BEPFGBIDHYMQDC-QGPMSJSTSA-N 1 1 318.417 1.487 20 10 DDCDMO CN1CCOc2cc(C[N@H+]3CCO[C@@H]4C[C@H](CO)C[C@H]43)ccc21 ZINC001141139764 860793777 /nfs/dbraw/zinc/79/37/77/860793777.db2.gz BEPFGBIDHYMQDC-QGPMSJSTSA-N 1 1 318.417 1.487 20 10 DDCDMO COC[C@@H]1Cn2nccc2C[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141158822 860797517 /nfs/dbraw/zinc/79/75/17/860797517.db2.gz OGAJXJIATBXLHK-LBPRGKRZSA-N 1 1 303.362 1.573 20 10 DDCDMO C[NH+]1CCN(c2ccc(C=C3SC(=O)NC3=O)cc2F)CC1 ZINC001332528275 865909855 /nfs/dbraw/zinc/90/98/55/865909855.db2.gz ORNANGLQZCUCRK-UKTHLTGXSA-N 1 1 321.377 1.901 20 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QIPTWVWCJPXZDI-FOLVSLTJSA-N 1 1 318.417 1.993 20 10 DDCDMO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c(O)c1 ZINC001203635459 870688573 /nfs/dbraw/zinc/68/85/73/870688573.db2.gz WHLRDQMSZZVELB-CYBMUJFWSA-N 1 1 307.394 1.636 20 10 DDCDMO Nc1ccc(CC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC001341094065 871501955 /nfs/dbraw/zinc/50/19/55/871501955.db2.gz NSAVTYIXXWVNKO-GJZGRUSLSA-N 1 1 305.447 1.507 20 10 DDCDMO Cc1nn(C)c(C)c1[C@H](O)C[NH2+]Cc1cc(F)c(F)cc1O ZINC001308978440 871540669 /nfs/dbraw/zinc/54/06/69/871540669.db2.gz LUGGZVQERXQNHV-CQSZACIVSA-N 1 1 311.332 1.844 20 10 DDCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001276537713 873342243 /nfs/dbraw/zinc/34/22/43/873342243.db2.gz LPHARXRDOLOFHX-XJKSGUPXSA-N 1 1 316.380 1.961 20 10 DDCDMO Oc1c(F)cccc1C[N@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001276537713 873342257 /nfs/dbraw/zinc/34/22/57/873342257.db2.gz LPHARXRDOLOFHX-XJKSGUPXSA-N 1 1 316.380 1.961 20 10 DDCDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)NCc3ccc(N)cc3)C2)C1 ZINC001346739100 873871805 /nfs/dbraw/zinc/87/18/05/873871805.db2.gz MYBAMAWULMCUAW-QGZVFWFLSA-N 1 1 302.422 1.896 20 10 DDCDMO Nc1ccc(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001346739016 873872181 /nfs/dbraw/zinc/87/21/81/873872181.db2.gz LQOLWDUTHCUBMM-INIZCTEOSA-N 1 1 318.421 1.275 20 10 DDCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C(=O)OC ZINC001352109357 876602274 /nfs/dbraw/zinc/60/22/74/876602274.db2.gz IQZOKDQHEJREDD-GASCZTMLSA-N 1 1 320.389 1.147 20 10 DDCDMO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[nH]1 ZINC001353592846 877436773 /nfs/dbraw/zinc/43/67/73/877436773.db2.gz IIKAOCMAWMPNAB-GFCCVEGCSA-N 1 1 315.421 1.925 20 10 DDCDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N)cc2)C1 ZINC001356082633 878860799 /nfs/dbraw/zinc/86/07/99/878860799.db2.gz AELHCJSNAJETAW-UKRRQHHQSA-N 1 1 305.422 1.632 20 10 DDCDMO CC[N@H+]1CC[C@@H](Oc2ccc(N3CCN(C(C)=O)CC3)cc2)C1 ZINC001228203329 883386579 /nfs/dbraw/zinc/38/65/79/883386579.db2.gz BIFDZCCSPURMJX-GOSISDBHSA-N 1 1 317.433 1.828 20 10 DDCDMO COc1ccc(Br)c(C[N@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC001231548554 885725256 /nfs/dbraw/zinc/72/52/56/885725256.db2.gz VSGDVHVWAKALQT-GZMMTYOYSA-N 1 1 316.195 1.976 20 10 DDCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCN1C ZINC001231591191 885752393 /nfs/dbraw/zinc/75/23/93/885752393.db2.gz XTAXSKCOEMSMRN-MRXNPFEDSA-N 1 1 314.385 1.834 20 10 DDCDMO Cc1cc(C)c(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)c(O)c1 ZINC001231844593 885902276 /nfs/dbraw/zinc/90/22/76/885902276.db2.gz NBYADCUXKURAFE-OIISXLGYSA-N 1 1 318.417 1.829 20 10 DDCDMO COC(=O)CO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841264 886629269 /nfs/dbraw/zinc/62/92/69/886629269.db2.gz ACTFULQCJZNGJJ-AWEZNQCLSA-N 1 1 308.378 1.222 20 10 DDCDMO O=C1[C@H]2C[N@@H+](Cc3cc(O)c(O)c(O)c3)C[C@H]2CN1CC1CC1 ZINC001233011812 886725820 /nfs/dbraw/zinc/72/58/20/886725820.db2.gz CYPBYCVKQWSCEK-STQMWFEESA-N 1 1 318.373 1.104 20 10 DDCDMO C[C@@]1(CO)CC[N@H+](Cc2cccc(C(F)(F)F)c2O)C[C@H]1O ZINC001233415853 886983695 /nfs/dbraw/zinc/98/36/95/886983695.db2.gz KTJJSCCPXHFQSP-OCCSQVGLSA-N 1 1 319.323 1.976 20 10 DDCDMO C[C@@]1(CO)CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C[C@H]1O ZINC001233415853 886983699 /nfs/dbraw/zinc/98/36/99/886983699.db2.gz KTJJSCCPXHFQSP-OCCSQVGLSA-N 1 1 319.323 1.976 20 10 DDCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](CO)[C@H](O)C3)c2c1 ZINC001234525177 888052251 /nfs/dbraw/zinc/05/22/51/888052251.db2.gz BVAYWNLRVBYSBN-FZKQIMNGSA-N 1 1 317.385 1.729 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cc1OC ZINC001236750816 889329638 /nfs/dbraw/zinc/32/96/38/889329638.db2.gz ZCNZVCCRSVAJMK-OSAQELSMSA-N 1 1 323.389 1.381 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cc1OC ZINC001236750816 889329650 /nfs/dbraw/zinc/32/96/50/889329650.db2.gz ZCNZVCCRSVAJMK-OSAQELSMSA-N 1 1 323.389 1.381 20 10 DDCDMO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC001236751163 889330145 /nfs/dbraw/zinc/33/01/45/889330145.db2.gz CQDMLXRMRRILOT-LBPRGKRZSA-N 1 1 308.378 1.510 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CCOC[C@@H]2C(C)C)c(O)c1 ZINC001249208622 893865567 /nfs/dbraw/zinc/86/55/67/893865567.db2.gz YYDNGHFFZKCWIQ-OAHLLOKOSA-N 1 1 307.390 1.965 20 10 DDCDMO CCN1CC[N@@H+](Cc2ccc(CC(=O)OC)cc2O)[C@H](C)C1 ZINC001249223842 893878324 /nfs/dbraw/zinc/87/83/24/893878324.db2.gz OTJRUNIOJYJYQJ-CYBMUJFWSA-N 1 1 306.406 1.634 20 10 DDCDMO CC[N@@H+]1CCN(Cc2ccc(CC(=O)OC)cc2O)[C@H](C)C1 ZINC001249223842 893878344 /nfs/dbraw/zinc/87/83/44/893878344.db2.gz OTJRUNIOJYJYQJ-CYBMUJFWSA-N 1 1 306.406 1.634 20 10 DDCDMO CC[N@H+]1CCN(Cc2ccc(CC(=O)OC)cc2O)[C@H](C)C1 ZINC001249223842 893878363 /nfs/dbraw/zinc/87/83/63/893878363.db2.gz OTJRUNIOJYJYQJ-CYBMUJFWSA-N 1 1 306.406 1.634 20 10 DDCDMO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCN2C)cc1C ZINC001265758798 902375164 /nfs/dbraw/zinc/37/51/64/902375164.db2.gz KCCHLFZBTFKXSQ-GOEBONIOSA-N 1 1 319.449 1.692 20 10 DDCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)c1 ZINC000271060508 407492760 /nfs/dbraw/zinc/49/27/60/407492760.db2.gz GHMGZVACEVJDNB-AWEZNQCLSA-N 1 1 312.435 1.604 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](OCCO)C2)cc1OC ZINC000271756808 407730687 /nfs/dbraw/zinc/73/06/87/407730687.db2.gz XNGUACQADROKOC-ZDUSSCGKSA-N 1 1 311.378 1.383 20 10 DDCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000187547376 407867132 /nfs/dbraw/zinc/86/71/32/407867132.db2.gz PUVXIWVAMPMLJZ-SFHVURJKSA-N 1 1 318.417 1.515 20 10 DDCDMO Cn1nccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121317056 408184546 /nfs/dbraw/zinc/18/45/46/408184546.db2.gz KFMVNXQHCZOQKZ-UHFFFAOYSA-N 1 1 300.406 1.889 20 10 DDCDMO Cn1nccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121317056 408184551 /nfs/dbraw/zinc/18/45/51/408184551.db2.gz KFMVNXQHCZOQKZ-UHFFFAOYSA-N 1 1 300.406 1.889 20 10 DDCDMO CCOc1cccc(C[N@@H+](CCO)C2CCN(C)CC2)c1O ZINC000269366625 408283472 /nfs/dbraw/zinc/28/34/72/408283472.db2.gz REXLABCLFWUTCC-UHFFFAOYSA-N 1 1 308.422 1.679 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1OC ZINC000281096325 408872365 /nfs/dbraw/zinc/87/23/65/408872365.db2.gz AAJFAKOKMRQOOG-NEPJUHHUSA-N 1 1 322.361 1.340 20 10 DDCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCC(=O)OC ZINC000282433098 409053456 /nfs/dbraw/zinc/05/34/56/409053456.db2.gz KFMHYFMKVGJJGD-ZDUSSCGKSA-N 1 1 322.405 1.672 20 10 DDCDMO COc1c([O-])c(C[N@@H+](C)C[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000278860380 409102243 /nfs/dbraw/zinc/10/22/43/409102243.db2.gz LWTQMSOQWJHLAF-ZWNOBZJWSA-N 1 1 310.350 1.902 20 10 DDCDMO COc1c(O)c(C[N@H+](C)C[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000278860380 409102246 /nfs/dbraw/zinc/10/22/46/409102246.db2.gz LWTQMSOQWJHLAF-ZWNOBZJWSA-N 1 1 310.350 1.902 20 10 DDCDMO COc1c(O)c(C[N@@H+](C)C[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000278860380 409102249 /nfs/dbraw/zinc/10/22/49/409102249.db2.gz LWTQMSOQWJHLAF-ZWNOBZJWSA-N 1 1 310.350 1.902 20 10 DDCDMO COc1c(O)c(C[NH2+][C@H](CO)CC2CCC2)ccc1[N+](=O)[O-] ZINC000279656124 409246603 /nfs/dbraw/zinc/24/66/03/409246603.db2.gz FUEDECSKORGZTC-LBPRGKRZSA-N 1 1 310.350 1.950 20 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/nfs/dbraw/zinc/33/73/67/409337367.db2.gz WICDLAKCXLFJOF-UHFFFAOYSA-N 1 1 314.338 1.186 20 10 DDCDMO C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1CO ZINC000298649024 410330897 /nfs/dbraw/zinc/33/08/97/410330897.db2.gz XHLIHQXJDCDBTR-BBRMVZONSA-N 1 1 305.422 1.072 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1 ZINC000375470583 418645428 /nfs/dbraw/zinc/64/54/28/418645428.db2.gz QKPPDYDOVPZKRB-HUUCEWRRSA-N 1 1 305.374 1.971 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1 ZINC000375470583 418645431 /nfs/dbraw/zinc/64/54/31/418645431.db2.gz QKPPDYDOVPZKRB-HUUCEWRRSA-N 1 1 305.374 1.971 20 10 DDCDMO COc1cc(O)c(C[N@@H+](C)[C@H]2CCCCNC2=O)cc1OC ZINC000367732168 418629007 /nfs/dbraw/zinc/62/90/07/418629007.db2.gz YXWRTUDHZGOQII-LBPRGKRZSA-N 1 1 308.378 1.510 20 10 DDCDMO COc1c(O)c(C[NH2+]Cc2cnn(C)c2C)ccc1[N+](=O)[O-] ZINC000278510919 484295794 /nfs/dbraw/zinc/29/57/94/484295794.db2.gz PWVICLRALZBKKY-UHFFFAOYSA-N 1 1 306.322 1.641 20 10 DDCDMO CCCOc1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000132415734 520346092 /nfs/dbraw/zinc/34/60/92/520346092.db2.gz DNHMHQWFQJPVDE-ZDUSSCGKSA-N 1 1 313.419 1.800 20 10 DDCDMO CCCOc1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000132415734 520346095 /nfs/dbraw/zinc/34/60/95/520346095.db2.gz DNHMHQWFQJPVDE-ZDUSSCGKSA-N 1 1 313.419 1.800 20 10 DDCDMO CCCOc1ccc(C[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c(O)c1 ZINC000365653750 520352234 /nfs/dbraw/zinc/35/22/34/520352234.db2.gz FPBOZHHSPLYAAW-UKRRQHHQSA-N 1 1 304.390 1.749 20 10 DDCDMO CCN1CCN([C@H]2CC[N@H+](Cc3cccc(C)c3O)C2)CC1 ZINC000180068959 521695854 /nfs/dbraw/zinc/69/58/54/521695854.db2.gz ICODWVLAJXKUDB-KRWDZBQOSA-N 1 1 303.450 1.912 20 10 DDCDMO CCN1CCN([C@H]2CC[N@@H+](Cc3cccc(C)c3O)C2)CC1 ZINC000180068959 521695856 /nfs/dbraw/zinc/69/58/56/521695856.db2.gz ICODWVLAJXKUDB-KRWDZBQOSA-N 1 1 303.450 1.912 20 10 DDCDMO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1CO ZINC000190838003 524925322 /nfs/dbraw/zinc/92/53/22/524925322.db2.gz KVVNQWVIMDVLML-ZBFHGGJFSA-N 1 1 319.449 1.271 20 10 DDCDMO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C[N@H+]1C1CC1 ZINC000180854155 525248820 /nfs/dbraw/zinc/24/88/20/525248820.db2.gz OHNBIYUWPGJCRP-OMCWZWAOSA-N 1 1 302.374 1.852 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1OC ZINC000285221071 536857359 /nfs/dbraw/zinc/85/73/59/536857359.db2.gz XYTDPDLPBPSXMD-QGZVFWFLSA-N 1 1 323.389 1.791 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1OC ZINC000285221071 536857363 /nfs/dbraw/zinc/85/73/63/536857363.db2.gz XYTDPDLPBPSXMD-QGZVFWFLSA-N 1 1 323.389 1.791 20 10 DDCDMO Oc1c(Br)cccc1C[NH2+]C[C@H]1COCCO1 ZINC000042412571 696148980 /nfs/dbraw/zinc/14/89/80/696148980.db2.gz YLBPZGPGURFUBJ-JTQLQIEISA-N 1 1 302.168 1.660 20 10 DDCDMO CCC[N@@H+](CC(=O)NC)Cc1ccc(N2CCOCC2)cc1 ZINC000092381653 696594287 /nfs/dbraw/zinc/59/42/87/696594287.db2.gz JVGFDUGJSLFZIL-UHFFFAOYSA-N 1 1 305.422 1.481 20 10 DDCDMO COc1cccc(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)c1O ZINC000131482104 696806797 /nfs/dbraw/zinc/80/67/97/696806797.db2.gz UZDGHAPYPAYAGF-LBPRGKRZSA-N 1 1 310.419 1.454 20 10 DDCDMO OCC1([NH2+]Cc2cccc(Br)c2O)CCOCC1 ZINC000227214290 697768722 /nfs/dbraw/zinc/76/87/22/697768722.db2.gz VDVVNFGLUBRWCF-UHFFFAOYSA-N 1 1 316.195 1.786 20 10 DDCDMO CCN(C)c1ccc(C[N@@H+]2CCCN(CCOC)C(=O)C2)cc1 ZINC000773889430 697818453 /nfs/dbraw/zinc/81/84/53/697818453.db2.gz VWJRTQSOCNGERG-UHFFFAOYSA-N 1 1 319.449 1.823 20 10 DDCDMO CCN(C)c1ccc(C[N@H+]2CCCN(CCOC)C(=O)C2)cc1 ZINC000773889430 697818459 /nfs/dbraw/zinc/81/84/59/697818459.db2.gz VWJRTQSOCNGERG-UHFFFAOYSA-N 1 1 319.449 1.823 20 10 DDCDMO COc1c(O)c(C[NH2+]CCOC(F)(F)F)ccc1[N+](=O)[O-] ZINC000775101331 697963216 /nfs/dbraw/zinc/96/32/16/697963216.db2.gz UMUGVHCVLUDZDU-UHFFFAOYSA-N 1 1 310.228 1.935 20 10 DDCDMO CC(C)C[N@H+](CC(N)=O)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775653430 698019620 /nfs/dbraw/zinc/01/96/20/698019620.db2.gz FJTOJFZOKFBHHQ-UHFFFAOYSA-N 1 1 318.465 1.382 20 10 DDCDMO CC(C)C[N@@H+](CC(N)=O)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775653430 698019624 /nfs/dbraw/zinc/01/96/24/698019624.db2.gz FJTOJFZOKFBHHQ-UHFFFAOYSA-N 1 1 318.465 1.382 20 10 DDCDMO Cc1ccc(C(=O)NCCCCN2CC[NH+](C)CC2)c(O)c1O ZINC000780888747 698568107 /nfs/dbraw/zinc/56/81/07/698568107.db2.gz MVFACZOHOCQFMW-UHFFFAOYSA-N 1 1 321.421 1.164 20 10 DDCDMO COCCO[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000800849754 700248493 /nfs/dbraw/zinc/24/84/93/700248493.db2.gz FGPGVWBTBWXVBU-CZUORRHYSA-N 1 1 323.389 1.445 20 10 DDCDMO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ncnn1C ZINC000788972168 699352043 /nfs/dbraw/zinc/35/20/43/699352043.db2.gz WEWRNRIARCZMTQ-ZDUSSCGKSA-N 1 1 301.394 1.503 20 10 DDCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1O ZINC000790937176 699604008 /nfs/dbraw/zinc/60/40/08/699604008.db2.gz LAKSEYBHWPRMPH-INIZCTEOSA-N 1 1 308.397 1.865 20 10 DDCDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C3=CC(=O)CS3)CC2)C1 ZINC000734552803 699654464 /nfs/dbraw/zinc/65/44/64/699654464.db2.gz RDFBDMVCOQROCS-LBPRGKRZSA-N 1 1 309.435 1.306 20 10 DDCDMO CCC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CC(=O)N(C)C1=O ZINC000802656750 700415960 /nfs/dbraw/zinc/41/59/60/700415960.db2.gz UDARNGPVVFVRMA-LLVKDONJSA-N 1 1 320.345 1.090 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(C)=O)CC2)c1 ZINC000756365085 700617723 /nfs/dbraw/zinc/61/77/23/700617723.db2.gz XCZRVCZLLNMWPZ-LLVKDONJSA-N 1 1 320.389 1.840 20 10 DDCDMO COc1cccc(CNc2cc[nH+]c(N3CCOCC3)n2)c1O ZINC000758853230 700726113 /nfs/dbraw/zinc/72/61/13/700726113.db2.gz VYIHYXOPJUYMGK-UHFFFAOYSA-N 1 1 316.361 1.640 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000809700717 701681319 /nfs/dbraw/zinc/68/13/19/701681319.db2.gz NAGIGGLWBWDMQR-KGLIPLIRSA-N 1 1 306.406 1.696 20 10 DDCDMO COc1cccc(C[NH+]2CCN(C(=O)N3CCCC3)CC2)c1O ZINC000768227635 701164732 /nfs/dbraw/zinc/16/47/32/701164732.db2.gz SZBDBVHQRSYSEZ-UHFFFAOYSA-N 1 1 319.405 1.734 20 10 DDCDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768440111 701176990 /nfs/dbraw/zinc/17/69/90/701176990.db2.gz NZBAWVSOEHULIZ-WBMJQRKESA-N 1 1 320.389 1.166 20 10 DDCDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000769468208 701246109 /nfs/dbraw/zinc/24/61/09/701246109.db2.gz CSESGVLETRUKJJ-LBPRGKRZSA-N 1 1 313.419 1.657 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]C[C@@]3(O)CCSC3)cc2)CC1 ZINC000771842823 701333971 /nfs/dbraw/zinc/33/39/71/701333971.db2.gz MKDYISAADINDOQ-KRWDZBQOSA-N 1 1 321.490 1.396 20 10 DDCDMO Cc1cc(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)ccc1N(C)C ZINC000815053286 701789061 /nfs/dbraw/zinc/78/90/61/701789061.db2.gz OOGDDDCKNPVAGL-HNNXBMFYSA-N 1 1 310.463 1.928 20 10 DDCDMO COCC[N@@H+](C)CCCNC(=O)N[C@H](C)c1ccccc1O ZINC000868355957 702079884 /nfs/dbraw/zinc/07/98/84/702079884.db2.gz UYPPUSJXJRWEIE-CYBMUJFWSA-N 1 1 309.410 1.721 20 10 DDCDMO C[N@@H+](Cc1cc(F)ccc1O)Cc1ccccc1S(N)(=O)=O ZINC000816626600 702131141 /nfs/dbraw/zinc/13/11/41/702131141.db2.gz OECNZMMVMRMLAE-UHFFFAOYSA-N 1 1 324.377 1.811 20 10 DDCDMO C[N@H+](Cc1cc(F)ccc1O)Cc1ccccc1S(N)(=O)=O ZINC000816626600 702131143 /nfs/dbraw/zinc/13/11/43/702131143.db2.gz OECNZMMVMRMLAE-UHFFFAOYSA-N 1 1 324.377 1.811 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](n3cccn3)C1)[C@H](O)CO2 ZINC000812296374 702141128 /nfs/dbraw/zinc/14/11/28/702141128.db2.gz NJNZNNACIPBZCC-IUODEOHRSA-N 1 1 301.346 1.462 20 10 DDCDMO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840914803 702277701 /nfs/dbraw/zinc/27/77/01/702277701.db2.gz GISUTNJKVPKXLS-KRWDZBQOSA-N 1 1 305.422 1.398 20 10 DDCDMO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840914803 702277705 /nfs/dbraw/zinc/27/77/05/702277705.db2.gz GISUTNJKVPKXLS-KRWDZBQOSA-N 1 1 305.422 1.398 20 10 DDCDMO C[N@H+]1C[C@H]2CCN(Cc3ccc(N4CCOCC4)c(F)c3)[C@@H]2C1 ZINC000814173992 702489922 /nfs/dbraw/zinc/48/99/22/702489922.db2.gz VJKNXQSTZYSTHN-CRAIPNDOSA-N 1 1 319.424 1.798 20 10 DDCDMO C[C@@H]1C[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)CN1C1CC1 ZINC000817942789 702531023 /nfs/dbraw/zinc/53/10/23/702531023.db2.gz QZOIAZGKXCBWFD-QIIPPGSGSA-N 1 1 302.466 1.967 20 10 DDCDMO CCOc1cccc(C[N@H+]2C[C@H](C)N(CCO)C[C@H]2C)c1O ZINC000841892496 702608468 /nfs/dbraw/zinc/60/84/68/702608468.db2.gz ZSHUWLNGZCXGJN-UONOGXRCSA-N 1 1 308.422 1.678 20 10 DDCDMO CCOc1cccc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)c1O ZINC000841892496 702608469 /nfs/dbraw/zinc/60/84/69/702608469.db2.gz ZSHUWLNGZCXGJN-UONOGXRCSA-N 1 1 308.422 1.678 20 10 DDCDMO CCOc1cccc(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1O ZINC000841892496 702608470 /nfs/dbraw/zinc/60/84/70/702608470.db2.gz ZSHUWLNGZCXGJN-UONOGXRCSA-N 1 1 308.422 1.678 20 10 DDCDMO COc1cc(Cl)cc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)c1O ZINC000843423274 702878207 /nfs/dbraw/zinc/87/82/07/702878207.db2.gz BQJWGTLQTCKVOZ-CYBMUJFWSA-N 1 1 312.797 1.305 20 10 DDCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843433740 702881203 /nfs/dbraw/zinc/88/12/03/702881203.db2.gz IZTUFWACQIWMHS-GWOVIKRFSA-N 1 1 318.417 1.622 20 10 DDCDMO CCOc1cccc(C[N@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)c1O ZINC000843435602 702882141 /nfs/dbraw/zinc/88/21/41/702882141.db2.gz WGZNLCRFIQPPJL-QWHCGFSZSA-N 1 1 309.362 1.147 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H](O)Cn2cccn2)cc1 ZINC000844399068 703025924 /nfs/dbraw/zinc/02/59/24/703025924.db2.gz FQGLGJUKKFGMOO-INIZCTEOSA-N 1 1 318.421 1.321 20 10 DDCDMO COc1ccc(N(C)CC[N@H+](C)Cc2cc(=O)c(O)co2)cc1 ZINC000844402196 703026728 /nfs/dbraw/zinc/02/67/28/703026728.db2.gz WMALYPANFDNJLP-UHFFFAOYSA-N 1 1 318.373 1.922 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cc(=O)c(O)co2)cc1 ZINC000844402196 703026731 /nfs/dbraw/zinc/02/67/31/703026731.db2.gz WMALYPANFDNJLP-UHFFFAOYSA-N 1 1 318.373 1.922 20 10 DDCDMO CCN1C[C@@H](C[NH+]2CCN(c3ccc(OC)cc3)CC2)OC1=O ZINC000846762107 703327826 /nfs/dbraw/zinc/32/78/26/703327826.db2.gz FKHBXHZKAUKCOE-MRXNPFEDSA-N 1 1 319.405 1.658 20 10 DDCDMO CCc1cccc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)c1O ZINC000848888086 703598700 /nfs/dbraw/zinc/59/87/00/703598700.db2.gz LPZJYFRGKFIOCS-INIZCTEOSA-N 1 1 308.422 1.080 20 10 DDCDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000850833224 703757475 /nfs/dbraw/zinc/75/74/75/703757475.db2.gz IEUXZWUXIRRWEU-ZDUSSCGKSA-N 1 1 304.394 1.196 20 10 DDCDMO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000819582988 704144900 /nfs/dbraw/zinc/14/49/00/704144900.db2.gz RVKHURKGLAERHF-HUUCEWRRSA-N 1 1 317.433 1.589 20 10 DDCDMO CCS(=O)(=O)NCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858111509 704666956 /nfs/dbraw/zinc/66/69/56/704666956.db2.gz IYPYQCGKBJFQBZ-UHFFFAOYSA-N 1 1 321.393 1.060 20 10 DDCDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000874835528 705192843 /nfs/dbraw/zinc/19/28/43/705192843.db2.gz ZQBJBELOYMSTLI-VTGPQGOBSA-N 1 1 302.374 1.806 20 10 DDCDMO CCOC(=O)C[N@H+](CCc1ccnn1C)Cc1ccccc1O ZINC000823576578 705270551 /nfs/dbraw/zinc/27/05/51/705270551.db2.gz SXWZVHVLRUXPSP-UHFFFAOYSA-N 1 1 317.389 1.734 20 10 DDCDMO CCOC(=O)C[N@@H+](CCc1ccnn1C)Cc1ccccc1O ZINC000823576578 705270553 /nfs/dbraw/zinc/27/05/53/705270553.db2.gz 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/nfs/dbraw/zinc/70/89/07/705708907.db2.gz ZNDZNNCTRCJFGF-ABAIWWIYSA-N 1 1 300.349 1.206 20 10 DDCDMO NC(=O)C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000862534519 705728031 /nfs/dbraw/zinc/72/80/31/705728031.db2.gz DKEYWWVSRJVDPU-CQSZACIVSA-N 1 1 300.358 1.622 20 10 DDCDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000862551776 705731591 /nfs/dbraw/zinc/73/15/91/705731591.db2.gz PTFLSBUVLZASQH-NSHDSACASA-N 1 1 316.398 1.293 20 10 DDCDMO Cc1cccc(O)c1C[N@H+](C)C[C@H](O)COCCOC(C)C ZINC000876637696 705796154 /nfs/dbraw/zinc/79/61/54/705796154.db2.gz ZDRFRUDFMQAJPI-HNNXBMFYSA-N 1 1 311.422 1.935 20 10 DDCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000827596515 706034449 /nfs/dbraw/zinc/03/44/49/706034449.db2.gz YTEPEFNATNURSD-DLBZAZTESA-N 1 1 302.418 1.992 20 10 DDCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C1CN(c2ccncn2)C1 ZINC000877702340 706182211 /nfs/dbraw/zinc/18/22/11/706182211.db2.gz PXAKPRONFLKLGC-UHFFFAOYSA-N 1 1 308.744 1.953 20 10 DDCDMO COc1cccc(O)c1C[N@@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000877784451 706210689 /nfs/dbraw/zinc/21/06/89/706210689.db2.gz GGVXLZWZQGNOMU-HOTGVXAUSA-N 1 1 323.389 1.753 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000877784451 706210693 /nfs/dbraw/zinc/21/06/93/706210693.db2.gz GGVXLZWZQGNOMU-HOTGVXAUSA-N 1 1 323.389 1.753 20 10 DDCDMO CC(C)[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CC[N@H+]1C ZINC000872737179 707579059 /nfs/dbraw/zinc/57/90/59/707579059.db2.gz JLWKRAHOZHLJDZ-GDBMZVCRSA-N 1 1 306.406 1.590 20 10 DDCDMO CC(C)[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCN1C ZINC000872737179 707579062 /nfs/dbraw/zinc/57/90/62/707579062.db2.gz JLWKRAHOZHLJDZ-GDBMZVCRSA-N 1 1 306.406 1.590 20 10 DDCDMO CC(C)[C@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCN1C ZINC000872737179 707579063 /nfs/dbraw/zinc/57/90/63/707579063.db2.gz JLWKRAHOZHLJDZ-GDBMZVCRSA-N 1 1 306.406 1.590 20 10 DDCDMO COc1ccc(CNC(=O)NCC[N@H+]2CCC[C@@H]2C)c(O)c1 ZINC000897501415 708353349 /nfs/dbraw/zinc/35/33/49/708353349.db2.gz TWPSXMZCRGTUHO-LBPRGKRZSA-N 1 1 307.394 1.684 20 10 DDCDMO COc1ccc(N2CC[NH+](CCNC(=O)CCF)CC2)cc1 ZINC000900407128 709581237 /nfs/dbraw/zinc/58/12/37/709581237.db2.gz OXMIIIAEFVTTHZ-UHFFFAOYSA-N 1 1 309.385 1.293 20 10 DDCDMO COC[C@@]1(C(=O)OC)CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000895313583 711481281 /nfs/dbraw/zinc/48/12/81/711481281.db2.gz DBDOKCKVWSNLJH-QGZVFWFLSA-N 1 1 323.389 1.863 20 10 DDCDMO COC[C@@]1(C(=O)OC)CCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000895313583 711481283 /nfs/dbraw/zinc/48/12/83/711481283.db2.gz DBDOKCKVWSNLJH-QGZVFWFLSA-N 1 1 323.389 1.863 20 10 DDCDMO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]12 ZINC000895783953 711605243 /nfs/dbraw/zinc/60/52/43/711605243.db2.gz FGVNMBAHLGEHKY-RVKKMQEKSA-N 1 1 320.408 1.865 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC000895791271 711607528 /nfs/dbraw/zinc/60/75/28/711607528.db2.gz OZBANHRMIAFIQH-UHFFFAOYSA-N 1 1 312.377 1.082 20 10 DDCDMO Cc1nc([C@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)no1 ZINC000905685843 712118011 /nfs/dbraw/zinc/11/80/11/712118011.db2.gz ZZPJDLMOZJYDRW-JTQLQIEISA-N 1 1 303.318 1.802 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2C[C@@H]3COC[C@H]3O2)cc1 ZINC000930853624 713937639 /nfs/dbraw/zinc/93/76/39/713937639.db2.gz WBSORLTXSOXQIH-FHLIZLRMSA-N 1 1 320.433 1.867 20 10 DDCDMO COC[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000933330519 714564185 /nfs/dbraw/zinc/56/41/85/714564185.db2.gz WMJJAZDRUCYCMN-QGZVFWFLSA-N 1 1 306.406 1.370 20 10 DDCDMO COC[C@@H]1COCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000933330519 714564188 /nfs/dbraw/zinc/56/41/88/714564188.db2.gz WMJJAZDRUCYCMN-QGZVFWFLSA-N 1 1 306.406 1.370 20 10 DDCDMO CCN(C)c1ccc(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000933723523 714655406 /nfs/dbraw/zinc/65/54/06/714655406.db2.gz DIPDVFUGJPUKMW-GASCZTMLSA-N 1 1 308.447 1.619 20 10 DDCDMO C[N@H+]1CCC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000925297613 714798528 /nfs/dbraw/zinc/79/85/28/714798528.db2.gz LBXAOLKXCRYPDF-ZDUSSCGKSA-N 1 1 303.362 1.251 20 10 DDCDMO NC(=O)C1CCN(c2ccc(CNC3CC[NH2+]CC3)cc2)CC1 ZINC000925777395 714933674 /nfs/dbraw/zinc/93/36/74/714933674.db2.gz NTOAPSPPRHNRPI-UHFFFAOYSA-N 1 1 316.449 1.230 20 10 DDCDMO CCOC(=O)[C@H]1CC[C@H]([N@H+]2CCc3cccc(O)c3C2)CO1 ZINC001169407262 762400250 /nfs/dbraw/zinc/40/02/50/762400250.db2.gz AWJQLUMUAFZBKA-XJKSGUPXSA-N 1 1 305.374 1.861 20 10 DDCDMO COc1ccc(C[NH2+]CCNC(=O)Cc2cnc[nH]2)cc1C ZINC001134397102 771001117 /nfs/dbraw/zinc/00/11/17/771001117.db2.gz JARFJQRKYYQGTO-UHFFFAOYSA-N 1 1 302.378 1.175 20 10 DDCDMO NC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144299923 772471837 /nfs/dbraw/zinc/47/18/37/772471837.db2.gz MNPCXQZVRVDHIS-SSDOTTSWSA-N 1 1 317.158 1.601 20 10 DDCDMO NC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144299923 772471840 /nfs/dbraw/zinc/47/18/40/772471840.db2.gz MNPCXQZVRVDHIS-SSDOTTSWSA-N 1 1 317.158 1.601 20 10 DDCDMO COC[C@H]1Cn2nccc2C[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144508601 772555093 /nfs/dbraw/zinc/55/50/93/772555093.db2.gz RNLBFWUOOZNJAE-LLVKDONJSA-N 1 1 319.361 1.278 20 10 DDCDMO Cc1ccnc(O[C@@H]2CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144515902 772558963 /nfs/dbraw/zinc/55/89/63/772558963.db2.gz IRKCXRYJVXMBNY-GFCCVEGCSA-N 1 1 317.345 1.555 20 10 DDCDMO O=C1C[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CCN1C1CC1 ZINC001172026909 776585931 /nfs/dbraw/zinc/58/59/31/776585931.db2.gz SXAVNHOLZPZOHW-HNNXBMFYSA-N 1 1 316.401 1.999 20 10 DDCDMO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1c(C)c2ccccc2n1C ZINC001179122575 779288408 /nfs/dbraw/zinc/28/84/08/779288408.db2.gz DCXMFSHWTQTIQB-BBRMVZONSA-N 1 1 322.430 1.388 20 10 DDCDMO C[NH2+][C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)c1cnn(C)c1 ZINC001326596605 861467380 /nfs/dbraw/zinc/46/73/80/861467380.db2.gz WSLHTNNWSIIPHW-MEBBXXQBSA-N 1 1 318.377 1.272 20 10 DDCDMO CN1CC[C@]2(CCC[N@@H+](Cc3cc(O)ccc3O)CC2)C1=O ZINC001272385556 846089932 /nfs/dbraw/zinc/08/99/32/846089932.db2.gz CANOTNDKUNKDQH-KRWDZBQOSA-N 1 1 304.390 1.932 20 10 DDCDMO Cc1cccc(C[NH+]2CC3(C2)COCC(=O)N3CC(C)C)c1O ZINC001273769475 851322066 /nfs/dbraw/zinc/32/20/66/851322066.db2.gz JXHODPFWDMJSFK-UHFFFAOYSA-N 1 1 318.417 1.770 20 10 DDCDMO CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(N2CCC(O)CC2)cc1 ZINC001275174258 852867855 /nfs/dbraw/zinc/86/78/55/852867855.db2.gz UPFHSXGQIXOJFZ-OALUTQOASA-N 1 1 315.461 1.926 20 10 DDCDMO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(N2CCC(O)CC2)cc1 ZINC001275174258 852867856 /nfs/dbraw/zinc/86/78/56/852867856.db2.gz UPFHSXGQIXOJFZ-OALUTQOASA-N 1 1 315.461 1.926 20 10 DDCDMO C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(N2CCC(O)CC2)cc1 ZINC001275174258 852867862 /nfs/dbraw/zinc/86/78/62/852867862.db2.gz UPFHSXGQIXOJFZ-OALUTQOASA-N 1 1 315.461 1.926 20 10 DDCDMO Oc1ccccc1CN1CC2(C1)CC[N@@H+](CCn1ccnc1)C2 ZINC001275266917 852941175 /nfs/dbraw/zinc/94/11/75/852941175.db2.gz FWBARQWJUKXVIB-UHFFFAOYSA-N 1 1 312.417 1.797 20 10 DDCDMO Oc1ccccc1C[NH+]1CC2(C1)CCN(CCn1ccnc1)C2 ZINC001275266917 852941184 /nfs/dbraw/zinc/94/11/84/852941184.db2.gz FWBARQWJUKXVIB-UHFFFAOYSA-N 1 1 312.417 1.797 20 10 DDCDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1cccc(O)c1O)CC2 ZINC001123887867 859457072 /nfs/dbraw/zinc/45/70/72/859457072.db2.gz DJNNCLQLHAAAPJ-LBPRGKRZSA-N 1 1 301.346 1.482 20 10 DDCDMO OC[C@@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CCO1 ZINC001138337560 860062082 /nfs/dbraw/zinc/06/20/82/860062082.db2.gz AEKHPXDKPSIMOK-HNNXBMFYSA-N 1 1 318.417 1.284 20 10 DDCDMO OC[C@@H]1C[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CCO1 ZINC001138337560 860062088 /nfs/dbraw/zinc/06/20/88/860062088.db2.gz AEKHPXDKPSIMOK-HNNXBMFYSA-N 1 1 318.417 1.284 20 10 DDCDMO CN(C)C(=O)CC[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139412883 860393031 /nfs/dbraw/zinc/39/30/31/860393031.db2.gz QWWIYWHZIJSCBN-UHFFFAOYSA-N 1 1 318.465 1.349 20 10 DDCDMO CN(C)C(=O)CC[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139412883 860393041 /nfs/dbraw/zinc/39/30/41/860393041.db2.gz QWWIYWHZIJSCBN-UHFFFAOYSA-N 1 1 318.465 1.349 20 10 DDCDMO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)cccc2Cl)O1 ZINC001140339557 860621188 /nfs/dbraw/zinc/62/11/88/860621188.db2.gz XGJNPFJQYBTIHW-BPLDGKMQSA-N 1 1 324.808 1.866 20 10 DDCDMO Cc1c(O)ccc(C[NH+]2CC(N3C[C@@H](C)O[C@H](C)C3)C2)c1O ZINC001140750969 860691152 /nfs/dbraw/zinc/69/11/52/860691152.db2.gz FGIDSSWJWZBPEH-VXGBXAGGSA-N 1 1 306.406 1.700 20 10 DDCDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141146101 860794933 /nfs/dbraw/zinc/79/49/33/860794933.db2.gz KTZZMICRRPMFFJ-QGZVFWFLSA-N 1 1 304.390 1.900 20 10 DDCDMO CN1CCOc2cc(C[N@@H+](C)C3CCS(=O)(=O)CC3)ccc21 ZINC001141144223 860795715 /nfs/dbraw/zinc/79/57/15/860795715.db2.gz WLUZUKWTXKCUQK-UHFFFAOYSA-N 1 1 324.446 1.524 20 10 DDCDMO CN1CCN(c2ccc(CNC(=O)[C@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC001330980108 864752436 /nfs/dbraw/zinc/75/24/36/864752436.db2.gz BYDWAAGVLOZKPU-MRXNPFEDSA-N 1 1 316.449 1.053 20 10 DDCDMO COC(=O)C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC(C)C ZINC001319932166 866390635 /nfs/dbraw/zinc/39/06/35/866390635.db2.gz JHDWIMNTMNAURT-CQSZACIVSA-N 1 1 309.362 1.449 20 10 DDCDMO 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DDCDMO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CN1 ZINC001246879932 892968260 /nfs/dbraw/zinc/96/82/60/892968260.db2.gz YILXDYGIGOOOCX-KBPBESRZSA-N 1 1 320.389 1.140 20 10 DDCDMO COC(=O)[C@@H]1CC[C@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)CN1 ZINC001246879932 892968270 /nfs/dbraw/zinc/96/82/70/892968270.db2.gz YILXDYGIGOOOCX-KBPBESRZSA-N 1 1 320.389 1.140 20 10 DDCDMO COCCOc1ccc(N2CCN([C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001255444701 896934045 /nfs/dbraw/zinc/93/40/45/896934045.db2.gz OGKPPNVKRFWJHI-QGZVFWFLSA-N 1 1 319.449 1.538 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)[C@H](CO)C(C)(C)C)cc1 ZINC000299625641 529780900 /nfs/dbraw/zinc/78/09/00/529780900.db2.gz JQFXJBGRONHXGK-MRXNPFEDSA-N 1 1 321.465 1.708 20 10 DDCDMO CCCN(Cc1ccccc1O)C(=O)NCC[N@@H+](C)CCOC ZINC000066703123 353013065 /nfs/dbraw/zinc/01/30/65/353013065.db2.gz GZOWRKFFFUWHHO-UHFFFAOYSA-N 1 1 323.437 1.892 20 10 DDCDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C(N)=O)O1 ZINC000092005707 193140452 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C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000121971252 408246407 /nfs/dbraw/zinc/24/64/07/408246407.db2.gz BXKPZWUMQKNTNV-HNNXBMFYSA-N 1 1 318.465 1.347 20 10 DDCDMO CCOc1cccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c1O ZINC000274120004 408302227 /nfs/dbraw/zinc/30/22/27/408302227.db2.gz MWKBFENOFBBGNH-ZDUSSCGKSA-N 1 1 313.419 1.800 20 10 DDCDMO CCOc1cccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)c1O ZINC000274120004 408302231 /nfs/dbraw/zinc/30/22/31/408302231.db2.gz MWKBFENOFBBGNH-ZDUSSCGKSA-N 1 1 313.419 1.800 20 10 DDCDMO OCc1cn([C@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)nn1 ZINC000293775958 409178293 /nfs/dbraw/zinc/17/82/93/409178293.db2.gz YYHBBTUHOXSWRM-AWEZNQCLSA-N 1 1 306.341 1.452 20 10 DDCDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc3c(cc2O)OCO3)CN1 ZINC000361099192 418582788 /nfs/dbraw/zinc/58/27/88/418582788.db2.gz BLWAISMSIJGESU-AAEUAGOBSA-N 1 1 318.373 1.612 20 10 DDCDMO COc1ccc(N2CCC([NH2+]Cc3ncn(C)n3)CC2)cc1 ZINC000367396631 418597142 /nfs/dbraw/zinc/59/71/42/418597142.db2.gz LYABAAMJDGPMTG-UHFFFAOYSA-N 1 1 301.394 1.582 20 10 DDCDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000376832816 418701773 /nfs/dbraw/zinc/70/17/73/418701773.db2.gz OVHRTERITZCGDY-GFCCVEGCSA-N 1 1 318.826 1.478 20 10 DDCDMO CN(C)c1ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)cc1F ZINC000377025536 418703847 /nfs/dbraw/zinc/70/38/47/418703847.db2.gz BOWVXHPCJMOELX-UHFFFAOYSA-N 1 1 315.414 1.145 20 10 DDCDMO CCOc1cccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)c1O ZINC000370368589 418744113 /nfs/dbraw/zinc/74/41/13/418744113.db2.gz VGUFDVAFDPFGLH-KGLIPLIRSA-N 1 1 323.389 1.943 20 10 DDCDMO CCOc1cccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)c1O ZINC000370368589 418744115 /nfs/dbraw/zinc/74/41/15/418744115.db2.gz VGUFDVAFDPFGLH-KGLIPLIRSA-N 1 1 323.389 1.943 20 10 DDCDMO C[C@@H](C(=O)NCc1ccc2c(c1)CCN2C)[NH+]1CCSCC1 ZINC000364400370 418776411 /nfs/dbraw/zinc/77/64/11/418776411.db2.gz OMHBLGANTQQYGZ-ZDUSSCGKSA-N 1 1 319.474 1.732 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000365804322 418910523 /nfs/dbraw/zinc/91/05/23/418910523.db2.gz DNHQYURENFYRGA-BXUZGUMPSA-N 1 1 308.334 1.966 20 10 DDCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000363766556 332244006 /nfs/dbraw/zinc/24/40/06/332244006.db2.gz IHMKXNQHDKIEHS-KGLIPLIRSA-N 1 1 306.406 1.868 20 10 DDCDMO CCN(CC)C(=O)C[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000159492797 520474520 /nfs/dbraw/zinc/47/45/20/520474520.db2.gz HUWZWCJOYNVRHV-UHFFFAOYSA-N 1 1 310.394 1.710 20 10 DDCDMO CCN(CC)C(=O)C[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000159492797 520474530 /nfs/dbraw/zinc/47/45/30/520474530.db2.gz HUWZWCJOYNVRHV-UHFFFAOYSA-N 1 1 310.394 1.710 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000264870802 522166220 /nfs/dbraw/zinc/16/62/20/522166220.db2.gz PFHICUKBLMWDCL-UHFFFAOYSA-N 1 1 304.438 1.988 20 10 DDCDMO C[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000182160955 522470948 /nfs/dbraw/zinc/47/09/48/522470948.db2.gz VJCACSXIBSPANO-UHFFFAOYSA-N 1 1 308.378 1.282 20 10 DDCDMO COc1cc(O)c(C[N@@H+](C)CCNC(=O)C(C)C)cc1OC ZINC000180797413 522768050 /nfs/dbraw/zinc/76/80/50/522768050.db2.gz GBJWNABFURJYLM-UHFFFAOYSA-N 1 1 310.394 1.613 20 10 DDCDMO COc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1O ZINC000130252102 525991054 /nfs/dbraw/zinc/99/10/54/525991054.db2.gz ZSCOUOBAKIQNJY-DGCLKSJQSA-N 1 1 319.405 1.825 20 10 DDCDMO Cc1cc(C(=O)NCC(F)(F)C[NH3+])c(C)n1-c1ccccn1 ZINC000190272742 526265411 /nfs/dbraw/zinc/26/54/11/526265411.db2.gz ODSCTUPNPWXOPQ-UHFFFAOYSA-N 1 1 308.332 1.813 20 10 DDCDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCOC1 ZINC000798502571 700070399 /nfs/dbraw/zinc/07/03/99/700070399.db2.gz QXGQRSDHUSPUPD-WBVHZDCISA-N 1 1 303.450 1.953 20 10 DDCDMO C[C@@H](O)CN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000188735355 697563776 /nfs/dbraw/zinc/56/37/76/697563776.db2.gz UILHWROTXWTPGX-MRXNPFEDSA-N 1 1 319.449 1.022 20 10 DDCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000775024760 697955684 /nfs/dbraw/zinc/95/56/84/697955684.db2.gz RPXKFUJASXLJEI-PWSUYJOCSA-N 1 1 310.350 1.950 20 10 DDCDMO COc1c(O)c(C[NH2+]CCC2(C)OCCO2)ccc1[N+](=O)[O-] ZINC000775063707 697959251 /nfs/dbraw/zinc/95/92/51/697959251.db2.gz ZPUFODFJSGDDDT-UHFFFAOYSA-N 1 1 312.322 1.552 20 10 DDCDMO COc1c(O)c(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000775071586 697960227 /nfs/dbraw/zinc/96/02/27/697960227.db2.gz BLJYOUXMLGTQHE-WDEREUQCSA-N 1 1 309.366 1.833 20 10 DDCDMO COc1c(O)c(C[NH2+][C@H]2CCn3ccnc3C2)ccc1[N+](=O)[O-] ZINC000775086365 697961654 /nfs/dbraw/zinc/96/16/54/697961654.db2.gz FJKGDIFFOSAYQC-NSHDSACASA-N 1 1 318.333 1.610 20 10 DDCDMO C[NH+]1CCN(c2ccc(CN3CCCC[C@H]3C(N)=O)cc2)CC1 ZINC000775641729 698018561 /nfs/dbraw/zinc/01/85/61/698018561.db2.gz BOIITXDVTXLLHA-KRWDZBQOSA-N 1 1 316.449 1.278 20 10 DDCDMO CCOc1ccc(C[N@@H+]2CCCN(CCOC)C(=O)C2)c(O)c1 ZINC000787440489 699212596 /nfs/dbraw/zinc/21/25/96/699212596.db2.gz HTAJYEOJQADFSG-UHFFFAOYSA-N 1 1 322.405 1.472 20 10 DDCDMO CCOc1ccc(C[N@H+]2CCCN(CCOC)C(=O)C2)c(O)c1 ZINC000787440489 699212599 /nfs/dbraw/zinc/21/25/99/699212599.db2.gz HTAJYEOJQADFSG-UHFFFAOYSA-N 1 1 322.405 1.472 20 10 DDCDMO COc1ccc(O)c([C@H](C)NC(=O)CC[NH+]2CCOCC2)c1 ZINC000728978606 699461619 /nfs/dbraw/zinc/46/16/19/699461619.db2.gz JPKKSUYRROBYRS-LBPRGKRZSA-N 1 1 308.378 1.300 20 10 DDCDMO C[N@H+]1CC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000729285910 699475860 /nfs/dbraw/zinc/47/58/60/699475860.db2.gz SYVNZYBAZPCHHP-HNNXBMFYSA-N 1 1 319.474 1.808 20 10 DDCDMO COC(=O)CNC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613497 699609101 /nfs/dbraw/zinc/60/91/01/699609101.db2.gz YUTXCBCJOZCEDR-UHFFFAOYSA-N 1 1 320.389 1.426 20 10 DDCDMO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000734687887 699659078 /nfs/dbraw/zinc/65/90/78/699659078.db2.gz XDNMUVKITYOUFF-UHFFFAOYSA-N 1 1 304.438 1.908 20 10 DDCDMO CCNC(=S)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000742910635 699894035 /nfs/dbraw/zinc/89/40/35/699894035.db2.gz KEHCDBGETZKEFI-UHFFFAOYSA-N 1 1 322.478 1.301 20 10 DDCDMO O=C(CC[NH+]1CCOCC1)NCc1c(O)ccc2c1CCCC2 ZINC000743718182 699925019 /nfs/dbraw/zinc/92/50/19/699925019.db2.gz KMYXXRWEAVLMCR-UHFFFAOYSA-N 1 1 318.417 1.610 20 10 DDCDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000754727002 700522536 /nfs/dbraw/zinc/52/25/36/700522536.db2.gz ZYQTYLVLNJHEJI-AWEZNQCLSA-N 1 1 312.435 1.523 20 10 DDCDMO C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cc(F)cc(F)c1O ZINC000756489218 700623871 /nfs/dbraw/zinc/62/38/71/700623871.db2.gz GZNKBQBYCVSFSB-JTQLQIEISA-N 1 1 313.348 1.095 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](CCO)CSC)c1 ZINC000756605635 700631150 /nfs/dbraw/zinc/63/11/50/700631150.db2.gz UEHZZIHPKQMKQY-ZYHUDNBSSA-N 1 1 313.419 1.943 20 10 DDCDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000809768168 701688379 /nfs/dbraw/zinc/68/83/79/701688379.db2.gz DHHBOGAFRKDXPJ-GOSISDBHSA-N 1 1 322.449 1.741 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H]([C@H]3CCCO3)C1)[C@H](O)CO2 ZINC000768464897 701180656 /nfs/dbraw/zinc/18/06/56/701180656.db2.gz XCNCBJCEIFAQHR-INMHGKMJSA-N 1 1 321.373 1.198 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H]([C@H]3CCCO3)C1)[C@H](O)CO2 ZINC000768464897 701180658 /nfs/dbraw/zinc/18/06/58/701180658.db2.gz XCNCBJCEIFAQHR-INMHGKMJSA-N 1 1 321.373 1.198 20 10 DDCDMO CCOc1cccc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)c1O ZINC000769468525 701246475 /nfs/dbraw/zinc/24/64/75/701246475.db2.gz KATSEGBJMUNNMT-GFCCVEGCSA-N 1 1 313.419 1.657 20 10 DDCDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000769533419 701248482 /nfs/dbraw/zinc/24/84/82/701248482.db2.gz NTDDHCNPJZOFPL-HNNXBMFYSA-N 1 1 311.451 1.266 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccco3)cc2)CC1 ZINC000771824204 701333334 /nfs/dbraw/zinc/33/33/34/701333334.db2.gz UVJYPDHBXFWXOU-QGZVFWFLSA-N 1 1 315.417 1.855 20 10 DDCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]2COC[C@@H]21 ZINC000840150766 701998259 /nfs/dbraw/zinc/99/82/59/701998259.db2.gz YQJZQIZFDYMOGU-GUTXKFCHSA-N 1 1 305.374 1.675 20 10 DDCDMO CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000866154890 706634597 /nfs/dbraw/zinc/63/45/97/706634597.db2.gz YDPJGECBOVGLQB-RDJZCZTQSA-N 1 1 316.449 1.988 20 10 DDCDMO COC(=O)C[C@@]1([NH2+]Cc2cc(Cl)c(F)cc2O)CCOC1 ZINC000816571077 702115172 /nfs/dbraw/zinc/11/51/72/702115172.db2.gz RLQYMENPKYTRAM-AWEZNQCLSA-N 1 1 317.744 1.997 20 10 DDCDMO C[C@@H]1CCNC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817895114 702511388 /nfs/dbraw/zinc/51/13/88/702511388.db2.gz QMMABYLMMZPKKH-DNVCBOLYSA-N 1 1 317.477 1.983 20 10 DDCDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000841891649 702608252 /nfs/dbraw/zinc/60/82/52/702608252.db2.gz NWPUFDRLBUWSSF-KBPBESRZSA-N 1 1 309.429 1.779 20 10 DDCDMO CN1C(=O)CC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1=O ZINC000818234196 702612745 /nfs/dbraw/zinc/61/27/45/702612745.db2.gz VAXRQYOBWDXJBA-VIFPVBQESA-N 1 1 300.717 1.422 20 10 DDCDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956215 702635264 /nfs/dbraw/zinc/63/52/64/702635264.db2.gz YSJQFBWQPCDMNV-MRXNPFEDSA-N 1 1 304.438 1.937 20 10 DDCDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843435558 702881538 /nfs/dbraw/zinc/88/15/38/702881538.db2.gz VWJLFGMMUSHBHX-QWHCGFSZSA-N 1 1 310.369 1.248 20 10 DDCDMO O=C1NCC[C@@H]1CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821390884 704402825 /nfs/dbraw/zinc/40/28/25/704402825.db2.gz FOKZOMUAEFCJPA-GDBMZVCRSA-N 1 1 318.417 1.899 20 10 DDCDMO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1F ZINC000858088722 704664488 /nfs/dbraw/zinc/66/44/88/704664488.db2.gz PFJBQWSMWPBQOI-SNVBAGLBSA-N 1 1 304.362 1.308 20 10 DDCDMO Cc1ccc(O)c(CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000858306920 704692616 /nfs/dbraw/zinc/69/26/16/704692616.db2.gz VWBLAHAZGXKPID-SWLSCSKDSA-N 1 1 307.394 1.219 20 10 DDCDMO Cc1ccc(O)c(CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000858306920 704692617 /nfs/dbraw/zinc/69/26/17/704692617.db2.gz VWBLAHAZGXKPID-SWLSCSKDSA-N 1 1 307.394 1.219 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2ccnn2C)c1 ZINC000858434271 704710614 /nfs/dbraw/zinc/71/06/14/704710614.db2.gz DKAVGFYGSOJWFB-GWCFXTLKSA-N 1 1 319.361 1.297 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2ccnn2C)c1 ZINC000858434273 704710627 /nfs/dbraw/zinc/71/06/27/704710627.db2.gz DKAVGFYGSOJWFB-GXFFZTMASA-N 1 1 319.361 1.297 20 10 DDCDMO CCn1nc(C)c(C[NH2+]Cc2cc(OC)c(OC)cc2O)n1 ZINC000822494659 704960402 /nfs/dbraw/zinc/96/04/02/704960402.db2.gz RYJBJEDDSNEKSZ-UHFFFAOYSA-N 1 1 306.366 1.619 20 10 DDCDMO CCOC(=O)C[N@H+](Cc1ccccc1O)CC1(C(=O)OC)CC1 ZINC000823576457 705270872 /nfs/dbraw/zinc/27/08/72/705270872.db2.gz OTTGYCAHQDNGSV-UHFFFAOYSA-N 1 1 321.373 1.711 20 10 DDCDMO CCOC(=O)C[N@@H+](Cc1ccccc1O)CC1(C(=O)OC)CC1 ZINC000823576457 705270874 /nfs/dbraw/zinc/27/08/74/705270874.db2.gz OTTGYCAHQDNGSV-UHFFFAOYSA-N 1 1 321.373 1.711 20 10 DDCDMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862390604 705707630 /nfs/dbraw/zinc/70/76/30/705707630.db2.gz GSFCCGRFVSWTAF-GFCCVEGCSA-N 1 1 313.392 1.529 20 10 DDCDMO COCCOCC[N@@H+](CCO)Cc1cc(Cl)cc(C)c1O ZINC000862468134 705720402 /nfs/dbraw/zinc/72/04/02/705720402.db2.gz CUCVUDVEVZDECZ-UHFFFAOYSA-N 1 1 317.813 1.811 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000826123551 705775459 /nfs/dbraw/zinc/77/54/59/705775459.db2.gz QGSVRABTJSQWMO-CZUORRHYSA-N 1 1 323.433 1.873 20 10 DDCDMO CN1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1=O ZINC000876754157 705858432 /nfs/dbraw/zinc/85/84/32/705858432.db2.gz PUBIFGNFLOTIGP-QGZVFWFLSA-N 1 1 317.433 1.310 20 10 DDCDMO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1(O)CCC1 ZINC000877346126 706074081 /nfs/dbraw/zinc/07/40/81/706074081.db2.gz OUALTOZZDBPOMR-UHFFFAOYSA-N 1 1 304.434 1.995 20 10 DDCDMO Cc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(O)c1 ZINC000877515115 706129301 /nfs/dbraw/zinc/12/93/01/706129301.db2.gz UXKVJBVIEVBRGF-CQSZACIVSA-N 1 1 312.435 1.556 20 10 DDCDMO C[N@@H+]1CCN(Cc2c(O)cccc2Br)[C@H](CO)C1 ZINC000877643865 706167700 /nfs/dbraw/zinc/16/77/00/706167700.db2.gz KKJOFZNWWFGMRT-JTQLQIEISA-N 1 1 315.211 1.263 20 10 DDCDMO C[N@H+]1CCN(Cc2c(O)cccc2Br)[C@H](CO)C1 ZINC000877643865 706167701 /nfs/dbraw/zinc/16/77/01/706167701.db2.gz KKJOFZNWWFGMRT-JTQLQIEISA-N 1 1 315.211 1.263 20 10 DDCDMO Cn1cc[nH+]c1N1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000832172110 706860545 /nfs/dbraw/zinc/86/05/45/706860545.db2.gz CTTHKFGATPCUDG-UHFFFAOYSA-N 1 1 313.405 1.330 20 10 DDCDMO CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1O ZINC000880069781 706869682 /nfs/dbraw/zinc/86/96/82/706869682.db2.gz YIQGEWWVDVNKGP-LSDHHAIUSA-N 1 1 322.380 1.375 20 10 DDCDMO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnc3c(=O)n(C)ccn23)c1 ZINC000883335136 707978294 /nfs/dbraw/zinc/97/82/94/707978294.db2.gz NKSATBKDFGGWEH-NSHDSACASA-N 1 1 313.361 1.293 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)cc1 ZINC000900028045 709271182 /nfs/dbraw/zinc/27/11/82/709271182.db2.gz YQUJEDDADHAYCO-DOTOQJQBSA-N 1 1 305.422 1.166 20 10 DDCDMO C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)N(C)C ZINC000891246071 710140027 /nfs/dbraw/zinc/14/00/27/710140027.db2.gz LUZPHQGUCCYOMY-XJKSGUPXSA-N 1 1 306.454 1.422 20 10 DDCDMO COc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)c(O)c1OC ZINC000891646743 710256847 /nfs/dbraw/zinc/25/68/47/710256847.db2.gz AHZIFDBNXIYPHM-ZYHUDNBSSA-N 1 1 308.378 1.495 20 10 DDCDMO COc1ccc(C[NH2+]Cc2nnnn2CC2CC2)c(O)c1OC ZINC000893654222 710764497 /nfs/dbraw/zinc/76/44/97/710764497.db2.gz IPGHGDYMZIVZKE-UHFFFAOYSA-N 1 1 319.365 1.096 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H]1C[C@@H]1CCCO1)OCO2 ZINC000902608281 710813822 /nfs/dbraw/zinc/81/38/22/710813822.db2.gz LQRMDWKRONIXAN-KGLIPLIRSA-N 1 1 321.373 1.891 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1)OCO2 ZINC000902608281 710813827 /nfs/dbraw/zinc/81/38/27/710813827.db2.gz LQRMDWKRONIXAN-KGLIPLIRSA-N 1 1 321.373 1.891 20 10 DDCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1O ZINC000893966717 710903539 /nfs/dbraw/zinc/90/35/39/710903539.db2.gz 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Cc1cc(N(C)C)ccc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000843124563 702824671 /nfs/dbraw/zinc/82/46/71/702824671.db2.gz HORKXVOFNREBQA-SFHVURJKSA-N 1 1 302.466 1.541 20 10 DDCDMO CCOc1cccc(C[N@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)c1O ZINC000843435599 702882071 /nfs/dbraw/zinc/88/20/71/702882071.db2.gz WGZNLCRFIQPPJL-CHWSQXEVSA-N 1 1 309.362 1.147 20 10 DDCDMO COc1ccc(N(C)CC[N@H+](C)CC(=O)NCC(C)C)cc1 ZINC000844398729 703026097 /nfs/dbraw/zinc/02/60/97/703026097.db2.gz AKMKGHSOQVOEAC-UHFFFAOYSA-N 1 1 307.438 1.835 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)CC(=O)NCC(C)C)cc1 ZINC000844398729 703026099 /nfs/dbraw/zinc/02/60/99/703026099.db2.gz AKMKGHSOQVOEAC-UHFFFAOYSA-N 1 1 307.438 1.835 20 10 DDCDMO Cn1cnnc1N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000848924982 703604361 /nfs/dbraw/zinc/60/43/61/703604361.db2.gz JLJCIHCUPHPIOS-UHFFFAOYSA-N 1 1 307.785 1.496 20 10 DDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC3CC1(C)C3)cc2=O ZINC000852785862 704123373 /nfs/dbraw/zinc/12/33/73/704123373.db2.gz IDNCUQJDEYTTBJ-UHFFFAOYSA-N 1 1 316.361 1.596 20 10 DDCDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000853543237 704264964 /nfs/dbraw/zinc/26/49/64/704264964.db2.gz RDBRZIJOULDHKM-BHYGNILZSA-N 1 1 305.374 1.676 20 10 DDCDMO C[N@H+]1CC[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000856211691 704518558 /nfs/dbraw/zinc/51/85/58/704518558.db2.gz ZFHYRYNUNBCUPR-OAHLLOKOSA-N 1 1 317.433 1.216 20 10 DDCDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(O)c1O ZINC000856479897 704530438 /nfs/dbraw/zinc/53/04/38/704530438.db2.gz PBOOTZBBNLYEDY-CYBMUJFWSA-N 1 1 304.390 1.950 20 10 DDCDMO Cc1cc(C[N@@H+]2CCC(=O)NCC23COC3)ccc1N(C)C ZINC000880402259 706964945 /nfs/dbraw/zinc/96/49/45/706964945.db2.gz PVQZSLXNWDEUHI-UHFFFAOYSA-N 1 1 303.406 1.152 20 10 DDCDMO Cc1cc(C[N@H+]2CCC(=O)NCC23COC3)ccc1N(C)C ZINC000880402259 706964948 /nfs/dbraw/zinc/96/49/48/706964948.db2.gz PVQZSLXNWDEUHI-UHFFFAOYSA-N 1 1 303.406 1.152 20 10 DDCDMO COCCOCC[N@@H+](CCO)Cc1cc(Cl)ccc1O ZINC000862468316 705720473 /nfs/dbraw/zinc/72/04/73/705720473.db2.gz HACZHTHTTIHMPJ-UHFFFAOYSA-N 1 1 303.786 1.503 20 10 DDCDMO Cn1ncnc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000876966754 705941958 /nfs/dbraw/zinc/94/19/58/705941958.db2.gz ZTOJVTONBQHTNF-UHFFFAOYSA-N 1 1 315.421 1.314 20 10 DDCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCOCC[NH3+])c1[O-] ZINC000863555985 705956740 /nfs/dbraw/zinc/95/67/40/705956740.db2.gz YVUVBBYYKLUAMF-UHFFFAOYSA-N 1 1 300.786 1.655 20 10 DDCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCOCC[NH3+])c1[O-] ZINC000863555985 705956743 /nfs/dbraw/zinc/95/67/43/705956743.db2.gz YVUVBBYYKLUAMF-UHFFFAOYSA-N 1 1 300.786 1.655 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3C[C@H]4COC[C@]4(C)C3)cc2)CC1 ZINC000827280051 705967849 /nfs/dbraw/zinc/96/78/49/705967849.db2.gz CZLLBUMIYOTQFT-HKUYNNGSSA-N 1 1 315.461 1.907 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3C[C@H]4COC[C@]4(C)C3)cc2)CC1 ZINC000827280051 705967852 /nfs/dbraw/zinc/96/78/52/705967852.db2.gz CZLLBUMIYOTQFT-HKUYNNGSSA-N 1 1 315.461 1.907 20 10 DDCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1CO ZINC000877466096 706115349 /nfs/dbraw/zinc/11/53/49/706115349.db2.gz XKRIICNRXGMXBY-KSSFIOAISA-N 1 1 304.434 1.850 20 10 DDCDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c(O)c1 ZINC000877516523 706129902 /nfs/dbraw/zinc/12/99/02/706129902.db2.gz BLFFRWYOSAKWDC-CXAGYDPISA-N 1 1 317.389 1.653 20 10 DDCDMO COc1c(O)c(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000877743561 706195435 /nfs/dbraw/zinc/19/54/35/706195435.db2.gz WVOMPDFEGZVGOE-AAEUAGOBSA-N 1 1 321.377 1.835 20 10 DDCDMO COc1cccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)c1O ZINC000877747503 706197411 /nfs/dbraw/zinc/19/74/11/706197411.db2.gz OGGNHXDZWKSNNS-UHFFFAOYSA-N 1 1 319.449 1.613 20 10 DDCDMO NC(=O)C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C1CCOCC1 ZINC000883079393 707920469 /nfs/dbraw/zinc/92/04/69/707920469.db2.gz RZEOEXYKCWEWSN-CYBMUJFWSA-N 1 1 314.332 1.431 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)ccc1[N+](=O)[O-] ZINC000897814008 708458792 /nfs/dbraw/zinc/45/87/92/708458792.db2.gz GPTWAIFZSNICMI-SKZKVKIVSA-N 1 1 306.318 1.574 20 10 DDCDMO C[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1c(O)cccc1F ZINC000886561694 708777313 /nfs/dbraw/zinc/77/73/13/708777313.db2.gz GOGBGGTXFOXBHQ-WDMOLILDSA-N 1 1 310.369 1.818 20 10 DDCDMO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892206631 710395440 /nfs/dbraw/zinc/39/54/40/710395440.db2.gz WPOOHZPTTITRCU-OAHLLOKOSA-N 1 1 313.325 1.496 20 10 DDCDMO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892206631 710395443 /nfs/dbraw/zinc/39/54/43/710395443.db2.gz WPOOHZPTTITRCU-OAHLLOKOSA-N 1 1 313.325 1.496 20 10 DDCDMO COc1cc(C)cc(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1O ZINC000894608297 711210850 /nfs/dbraw/zinc/21/08/50/711210850.db2.gz HDZXOECTKBXVQT-UONOGXRCSA-N 1 1 308.422 1.596 20 10 DDCDMO COc1cc(C)cc(C[N@@H+]2CCN(C[C@@H](C)O)C[C@@H]2C)c1O ZINC000894608297 711210853 /nfs/dbraw/zinc/21/08/53/711210853.db2.gz HDZXOECTKBXVQT-UONOGXRCSA-N 1 1 308.422 1.596 20 10 DDCDMO COc1cc(C)cc(C[N@H+]2CCN(C[C@@H](C)O)C[C@@H]2C)c1O ZINC000894608297 711210856 /nfs/dbraw/zinc/21/08/56/711210856.db2.gz HDZXOECTKBXVQT-UONOGXRCSA-N 1 1 308.422 1.596 20 10 DDCDMO COc1ccc(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c(O)c1OC ZINC000894736837 711252401 /nfs/dbraw/zinc/25/24/01/711252401.db2.gz MGWOYQALIQLGHH-BETUJISGSA-N 1 1 324.421 1.296 20 10 DDCDMO COc1ccc(C[N@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)c(O)c1OC ZINC000894736837 711252405 /nfs/dbraw/zinc/25/24/05/711252405.db2.gz MGWOYQALIQLGHH-BETUJISGSA-N 1 1 324.421 1.296 20 10 DDCDMO COc1ccc(C[N@@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)c(O)c1OC ZINC000894736837 711252409 /nfs/dbraw/zinc/25/24/09/711252409.db2.gz MGWOYQALIQLGHH-BETUJISGSA-N 1 1 324.421 1.296 20 10 DDCDMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)c(N(C)C)cc3F)C[C@@H]2C1 ZINC000895575927 711547769 /nfs/dbraw/zinc/54/77/69/711547769.db2.gz LGEVODNNDCFKCB-OKILXGFUSA-N 1 1 323.387 1.941 20 10 DDCDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000895703770 711582640 /nfs/dbraw/zinc/58/26/40/711582640.db2.gz OYIMHTAOBGVTMI-QGZVFWFLSA-N 1 1 301.342 1.655 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]C[C@](C)(O)C(F)F)cc2)CC1 ZINC000905429274 712035561 /nfs/dbraw/zinc/03/55/61/712035561.db2.gz YRBBTELFTPPWET-INIZCTEOSA-N 1 1 313.392 1.544 20 10 DDCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn(CCC(C)=O)nn2)c1 ZINC000906286720 712283455 /nfs/dbraw/zinc/28/34/55/712283455.db2.gz FRISWEJDUBCHQV-LBPRGKRZSA-N 1 1 318.377 1.822 20 10 DDCDMO C[C@@H]1[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@H+]1C ZINC000915367075 713417492 /nfs/dbraw/zinc/41/74/92/713417492.db2.gz VHHHYZXEKKYMRL-RISCZKNCSA-N 1 1 308.401 1.784 20 10 DDCDMO C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CC[N@H+]1C ZINC000919908847 713641605 /nfs/dbraw/zinc/64/16/05/713641605.db2.gz KMVYLTQBYOCIFE-YOEHRIQHSA-N 1 1 314.433 1.955 20 10 DDCDMO COC(OC)[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000922314581 714018540 /nfs/dbraw/zinc/01/85/40/714018540.db2.gz JLJPCEKPJRDDEN-CQSZACIVSA-N 1 1 307.438 1.535 20 10 DDCDMO C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(F)c(F)cc1[O-] ZINC001142520991 742142382 /nfs/dbraw/zinc/14/23/82/742142382.db2.gz SXFHSOZRPRNTQQ-UHFFFAOYSA-N 1 1 301.381 1.596 20 10 DDCDMO Oc1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)cc1O ZINC001203880528 747192093 /nfs/dbraw/zinc/19/20/93/747192093.db2.gz VBSNKTHLDMDKEY-UHFFFAOYSA-N 1 1 301.346 1.931 20 10 DDCDMO C[N@@H+](Cc1cc(Br)c(F)cc1O)C[C@H](O)CO ZINC001144292632 772470037 /nfs/dbraw/zinc/47/00/37/772470037.db2.gz GWMCQRRXYGYIDA-QMMMGPOBSA-N 1 1 308.147 1.079 20 10 DDCDMO C[N@H+](Cc1cc(Br)c(F)cc1O)C[C@H](O)CO ZINC001144292632 772470039 /nfs/dbraw/zinc/47/00/39/772470039.db2.gz GWMCQRRXYGYIDA-QMMMGPOBSA-N 1 1 308.147 1.079 20 10 DDCDMO C[N@H+](Cc1cc(Br)c(F)cc1[O-])C[C@H](O)CO ZINC001144292632 772470035 /nfs/dbraw/zinc/47/00/35/772470035.db2.gz GWMCQRRXYGYIDA-QMMMGPOBSA-N 1 1 308.147 1.079 20 10 DDCDMO C[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CC[C@]1(O)C(F)(F)F ZINC001144504102 772553166 /nfs/dbraw/zinc/55/31/66/772553166.db2.gz LTDCRMRWWPAPQW-AMIZOPFISA-N 1 1 321.295 1.939 20 10 DDCDMO CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cc(O)cc1O ZINC001144509639 772557148 /nfs/dbraw/zinc/55/71/48/772557148.db2.gz GQDBZACTDPOKHB-MRXNPFEDSA-N 1 1 306.362 1.390 20 10 DDCDMO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001119374928 781427551 /nfs/dbraw/zinc/42/75/51/781427551.db2.gz JWEDFAUGVHGLHR-WMLDXEAASA-N 1 1 316.449 1.053 20 10 DDCDMO O=C(c1cc(O)c(O)c(O)c1)N1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001270069832 842269359 /nfs/dbraw/zinc/26/93/59/842269359.db2.gz RQDBYUIUCBCCRU-UHFFFAOYSA-N 1 1 318.373 1.646 20 10 DDCDMO CC(C)=CCN1C(=O)COCC12C[NH+](Cc1ccccc1O)C2 ZINC001272618122 846415532 /nfs/dbraw/zinc/41/55/32/846415532.db2.gz BNKBTCMRRRMBIG-UHFFFAOYSA-N 1 1 316.401 1.772 20 10 DDCDMO CCCCN1C(=O)COCC12CN(Cc1c([O-])cccc1F)C2 ZINC001273265913 849267862 /nfs/dbraw/zinc/26/78/62/849267862.db2.gz MWVKYIGLNAKMLN-UHFFFAOYSA-N 1 1 322.380 1.745 20 10 DDCDMO Cc1cccc(C[N@@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)c1O ZINC001273768922 851320782 /nfs/dbraw/zinc/32/07/82/851320782.db2.gz AYXLYUQKPSNATB-KRWDZBQOSA-N 1 1 302.374 1.672 20 10 DDCDMO Cc1cccc(C[N@H+]2CCC[C@@]23CCN(C2COC2)C3=O)c1O ZINC001273769494 851321361 /nfs/dbraw/zinc/32/13/61/851321361.db2.gz KDXFQMNTUHZZRJ-SFHVURJKSA-N 1 1 316.401 1.666 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)cc1OC ZINC001274648613 852484985 /nfs/dbraw/zinc/48/49/85/852484985.db2.gz YFNOPDBOPUQVOC-KRWDZBQOSA-N 1 1 320.389 1.464 20 10 DDCDMO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c(O)cc(O)cc1O ZINC001275115099 852816970 /nfs/dbraw/zinc/81/69/70/852816970.db2.gz GEWBQELFAIXZLF-PHIMTYICSA-N 1 1 321.377 1.180 20 10 DDCDMO COc1ccc(CN2CC3(CN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001275275168 852949267 /nfs/dbraw/zinc/94/92/67/852949267.db2.gz DHIOMEOVMZANJP-UHFFFAOYSA-N 1 1 305.422 1.080 20 10 DDCDMO CCCN(Cc1ccccc1O)C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001123762044 859401417 /nfs/dbraw/zinc/40/14/17/859401417.db2.gz XQMYOPMQHPBLEK-GDBMZVCRSA-N 1 1 317.433 1.519 20 10 DDCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)CCCO1 ZINC001138359002 860073631 /nfs/dbraw/zinc/07/36/31/860073631.db2.gz GXJBFIKCHRLPDJ-QGZVFWFLSA-N 1 1 318.417 1.833 20 10 DDCDMO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139413230 860392581 /nfs/dbraw/zinc/39/25/81/860392581.db2.gz SWIUFFMLWVMWQG-YJBOKZPZSA-N 1 1 303.450 1.784 20 10 DDCDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139413230 860392590 /nfs/dbraw/zinc/39/25/90/860392590.db2.gz SWIUFFMLWVMWQG-YJBOKZPZSA-N 1 1 303.450 1.784 20 10 DDCDMO CCO[C@@H]1C[C@H]2CN(Cc3c(F)ccc(F)c3[O-])CC[N@H+]2C1 ZINC001139681917 860451486 /nfs/dbraw/zinc/45/14/86/860451486.db2.gz HTDRHXXYJFIWGL-NWDGAFQWSA-N 1 1 312.360 1.965 20 10 DDCDMO CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3cc(C)ccc3O)CC[C@@H]21 ZINC001140620843 860664863 /nfs/dbraw/zinc/66/48/63/860664863.db2.gz DDCZNRNWIZTOEP-FUHWJXTLSA-N 1 1 318.417 1.912 20 10 DDCDMO Cc1ncc(CO)c(C[N@H+]2CCc3cccc(O)c3C2)c1O ZINC001140870252 860718575 /nfs/dbraw/zinc/71/85/75/860718575.db2.gz 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C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894747401 711257273 /nfs/dbraw/zinc/25/72/73/711257273.db2.gz KTPNDFGZIUAVAK-BXUZGUMPSA-N 1 1 312.360 1.965 20 10 DDCDMO Cn1nccc1[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000905735819 712135060 /nfs/dbraw/zinc/13/50/60/712135060.db2.gz OTHUFVKBPNNEJU-HOCLYGCPSA-N 1 1 315.373 1.889 20 10 DDCDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000931698183 714163690 /nfs/dbraw/zinc/16/36/90/714163690.db2.gz KVTFYHDYCKXUGC-ZWKOTPCHSA-N 1 1 320.433 1.759 20 10 DDCDMO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(CO)on1 ZINC000924750547 714655768 /nfs/dbraw/zinc/65/57/68/714655768.db2.gz FUOFSNZHMJWOLL-ZDUSSCGKSA-N 1 1 317.389 1.854 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934263087 714779652 /nfs/dbraw/zinc/77/96/52/714779652.db2.gz AYJZIDKHZMRAEY-ROUUACIJSA-N 1 1 303.450 1.784 20 10 DDCDMO CN(C)c1ccc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000934263087 714779653 /nfs/dbraw/zinc/77/96/53/714779653.db2.gz AYJZIDKHZMRAEY-ROUUACIJSA-N 1 1 303.450 1.784 20 10 DDCDMO CN(C)c1ccc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000934263087 714779655 /nfs/dbraw/zinc/77/96/55/714779655.db2.gz AYJZIDKHZMRAEY-ROUUACIJSA-N 1 1 303.450 1.784 20 10 DDCDMO COc1cc(C(=O)NC2C[NH+](CCC(C)C)C2)cc(OC)n1 ZINC001030614988 744328803 /nfs/dbraw/zinc/32/88/03/744328803.db2.gz VCSFLALCQAYSOD-UHFFFAOYSA-N 1 1 307.394 1.559 20 10 DDCDMO COc1cc(C(=O)N2CCc3[nH]c(C)[nH+]c3CC2)cc(O)c1O ZINC001193089257 745973009 /nfs/dbraw/zinc/97/30/09/745973009.db2.gz NRZVETRTPCJTHM-UHFFFAOYSA-N 1 1 317.345 1.379 20 10 DDCDMO CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](O)C1 ZINC001084104045 757285893 /nfs/dbraw/zinc/28/58/93/757285893.db2.gz HUUWXCRFYJQJPL-OLZOCXBDSA-N 1 1 319.365 1.034 20 10 DDCDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@@H](C)C1 ZINC001148590331 773542566 /nfs/dbraw/zinc/54/25/66/773542566.db2.gz HUUQDQSEPRAPEF-CMPLNLGQSA-N 1 1 308.378 1.652 20 10 DDCDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)C1 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DDCDMO COC(=O)c1c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c2ccccc2n1C ZINC001232403394 886336664 /nfs/dbraw/zinc/33/66/64/886336664.db2.gz XIYQUHVTFBNOHO-NHYWBVRUSA-N 1 1 302.374 1.778 20 10 DDCDMO COC[C@]12COC[C@H]1C[N@@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232837337 886624194 /nfs/dbraw/zinc/62/41/94/886624194.db2.gz DYZWAGSAFFCTAA-RHSMWYFYSA-N 1 1 306.406 1.553 20 10 DDCDMO CN(C)c1ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)c(O)c1 ZINC001232838895 886625704 /nfs/dbraw/zinc/62/57/04/886625704.db2.gz KBQQZFJWHILWQN-UHFFFAOYSA-N 1 1 303.406 1.512 20 10 DDCDMO CN(C)c1ccc(C[N@@H+]2CCN(C(C)(C)C)C(=O)C2)c(O)c1 ZINC001232840281 886626639 /nfs/dbraw/zinc/62/66/39/886626639.db2.gz RCDQMZLWRKXZNJ-UHFFFAOYSA-N 1 1 305.422 1.901 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CCN(C(C)(C)C)C(=O)C2)c(O)c1 ZINC001232840281 886626648 /nfs/dbraw/zinc/62/66/48/886626648.db2.gz RCDQMZLWRKXZNJ-UHFFFAOYSA-N 1 1 305.422 1.901 20 10 DDCDMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233482616 887014024 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CCOC(=O)N1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236810805 889367675 /nfs/dbraw/zinc/36/76/75/889367675.db2.gz JMELTPHOHFNTQB-UHFFFAOYSA-N 1 1 308.378 1.983 20 10 DDCDMO CN1CCN(c2ccc(CN3CC[C@H]([NH+](C)C)C3)c(F)c2)CC1 ZINC001236933423 889430759 /nfs/dbraw/zinc/43/07/59/889430759.db2.gz WXIXPSSCSRZHFW-KRWDZBQOSA-N 1 1 320.456 1.713 20 10 DDCDMO CN(Cc1ccc(N2CCN(C)CC2)cc1F)[C@H]1CC[N@H+](C)C1 ZINC001236938768 889432482 /nfs/dbraw/zinc/43/24/82/889432482.db2.gz MKXVNGAUHBDVEV-KRWDZBQOSA-N 1 1 320.456 1.713 20 10 DDCDMO CN(Cc1ccc(N2CCN(C)CC2)cc1F)[C@H]1CC[N@@H+](C)C1 ZINC001236938768 889432489 /nfs/dbraw/zinc/43/24/89/889432489.db2.gz MKXVNGAUHBDVEV-KRWDZBQOSA-N 1 1 320.456 1.713 20 10 DDCDMO COc1cc(CN2CC[NH+]([C@H]3CCOC3)CC2)c(O)c(OC)c1 ZINC001237674475 889795841 /nfs/dbraw/zinc/79/58/41/889795841.db2.gz IXUREYVMGFFFOH-AWEZNQCLSA-N 1 1 322.405 1.316 20 10 DDCDMO COc1cc(C[NH+]2CCN([C@H]3CCOC3)CC2)c(O)c(OC)c1 ZINC001237674475 889795850 /nfs/dbraw/zinc/79/58/50/889795850.db2.gz IXUREYVMGFFFOH-AWEZNQCLSA-N 1 1 322.405 1.316 20 10 DDCDMO COCC[NH+]1CCN(Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237935641 889945646 /nfs/dbraw/zinc/94/56/46/889945646.db2.gz WSLFHBRCSPISNC-UHFFFAOYSA-N 1 1 302.777 1.949 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)c(O)c1 ZINC001249214509 893871755 /nfs/dbraw/zinc/87/17/55/893871755.db2.gz MUGOJJITQFYLQS-OAHLLOKOSA-N 1 1 305.374 1.719 20 10 DDCDMO COc1ccc(O)c([C@H](C)NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1 ZINC001294938076 915472003 /nfs/dbraw/zinc/47/20/03/915472003.db2.gz VEPWDZKCUXFLDN-SGIREYDYSA-N 1 1 322.405 1.423 20 10 DDCDMO COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)c(O)c1 ZINC000373671978 223665265 /nfs/dbraw/zinc/66/52/65/223665265.db2.gz YOTAIAKXERTKJK-KGLIPLIRSA-N 1 1 304.390 1.891 20 10 DDCDMO COCC[N@H+]1CCCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000272853199 130068727 /nfs/dbraw/zinc/06/87/27/130068727.db2.gz SWTWBCYTEUIISA-UHFFFAOYSA-N 1 1 308.378 1.201 20 10 DDCDMO O=C1CCN(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000273106846 130091273 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COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278183996 409076522 /nfs/dbraw/zinc/07/65/22/409076522.db2.gz HIDATAMZMDPFPL-SECBINFHSA-N 1 1 312.322 1.550 20 10 DDCDMO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278183996 409076525 /nfs/dbraw/zinc/07/65/25/409076525.db2.gz HIDATAMZMDPFPL-SECBINFHSA-N 1 1 312.322 1.550 20 10 DDCDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278183996 409076527 /nfs/dbraw/zinc/07/65/27/409076527.db2.gz HIDATAMZMDPFPL-SECBINFHSA-N 1 1 312.322 1.550 20 10 DDCDMO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278484733 409084267 /nfs/dbraw/zinc/08/42/67/409084267.db2.gz KDWYZGLQTGESRV-NSHDSACASA-N 1 1 323.349 1.410 20 10 DDCDMO COC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)OC ZINC000278555453 409084996 /nfs/dbraw/zinc/08/49/96/409084996.db2.gz ZYALMRPRBBZVTH-SNVBAGLBSA-N 1 1 300.311 1.060 20 10 DDCDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cccc(C)c2O)C1 ZINC000278745575 409087680 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COc1ccc(O)c([C@@H](C)[N@H+]2CCCN([C@@H](C)CO)CC2)c1 ZINC000367315697 418584285 /nfs/dbraw/zinc/58/42/85/418584285.db2.gz AQPCECJSCZWPRO-UONOGXRCSA-N 1 1 308.422 1.850 20 10 DDCDMO COc1ccc(O)c([C@@H](C)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1 ZINC000367315697 418584289 /nfs/dbraw/zinc/58/42/89/418584289.db2.gz AQPCECJSCZWPRO-UONOGXRCSA-N 1 1 308.422 1.850 20 10 DDCDMO COc1ccc(O)c([C@@H](C)N2CCC[N@H+]([C@@H](C)CO)CC2)c1 ZINC000367315697 418584291 /nfs/dbraw/zinc/58/42/91/418584291.db2.gz AQPCECJSCZWPRO-UONOGXRCSA-N 1 1 308.422 1.850 20 10 DDCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000377633411 418712120 /nfs/dbraw/zinc/71/21/20/418712120.db2.gz ZARUIPIPMZRPCD-ZYHUDNBSSA-N 1 1 314.407 1.215 20 10 DDCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000370045845 418740580 /nfs/dbraw/zinc/74/05/80/418740580.db2.gz HDIKYSQPUVMYTH-OAHLLOKOSA-N 1 1 304.390 1.604 20 10 DDCDMO COc1c(O)c(C[NH2+][C@H](C)CC[S@](C)=O)ccc1[N+](=O)[O-] ZINC000278524428 484296696 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Oc1cc2c(cc1C[NH+]1CCN(CC(F)F)CC1)OCO2 ZINC000052085950 696251744 /nfs/dbraw/zinc/25/17/44/696251744.db2.gz MJGHJGHAHYLTBR-UHFFFAOYSA-N 1 1 300.305 1.504 20 10 DDCDMO CCC[N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000063756174 696330707 /nfs/dbraw/zinc/33/07/07/696330707.db2.gz AREHGFIPMVIGJH-UHFFFAOYSA-N 1 1 323.412 1.620 20 10 DDCDMO C[N@@H+](CCN1CCOC1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000108491927 696634041 /nfs/dbraw/zinc/63/40/41/696634041.db2.gz BARYCDFWCPEADY-UHFFFAOYSA-N 1 1 319.405 1.407 20 10 DDCDMO CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@H]1C ZINC000774881158 697937759 /nfs/dbraw/zinc/93/77/59/697937759.db2.gz QEWVIJZSPWPLNT-NSHDSACASA-N 1 1 309.366 1.835 20 10 DDCDMO COc1c(O)c(C[NH2+]C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000774964665 697948514 /nfs/dbraw/zinc/94/85/14/697948514.db2.gz PHXLAKZRRVCEBT-LLVKDONJSA-N 1 1 308.290 1.725 20 10 DDCDMO OCC[C@@]1([NH2+]Cc2cccc(Br)c2O)CCOC1 ZINC000775029477 697955661 /nfs/dbraw/zinc/95/56/61/697955661.db2.gz NIZBZZSBTKLPRZ-CYBMUJFWSA-N 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COC(=O)CC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C(C)C ZINC000768449632 701177877 /nfs/dbraw/zinc/17/78/77/701177877.db2.gz XENBFEGMNFBPPW-CQSZACIVSA-N 1 1 309.362 1.592 20 10 DDCDMO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000808212726 701507987 /nfs/dbraw/zinc/50/79/87/701507987.db2.gz VJXDWRAKNQCDRO-HNNXBMFYSA-N 1 1 305.374 1.645 20 10 DDCDMO COC(=O)C[C@H]1COCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000808212726 701507988 /nfs/dbraw/zinc/50/79/88/701507988.db2.gz VJXDWRAKNQCDRO-HNNXBMFYSA-N 1 1 305.374 1.645 20 10 DDCDMO CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000839604167 701751125 /nfs/dbraw/zinc/75/11/25/701751125.db2.gz KSDVIRFJBBGJRR-MRXNPFEDSA-N 1 1 305.422 1.480 20 10 DDCDMO COc1cc2c(c(OC)c1)N(C[C@@H](O)C[N@@H+](C)C1CC1)CCC2 ZINC000839656184 701767359 /nfs/dbraw/zinc/76/73/59/701767359.db2.gz WDYOVDZJWSSZNR-HNNXBMFYSA-N 1 1 320.433 1.912 20 10 DDCDMO CC(C)(C[NH+]1CCOCC1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000840522752 702139795 /nfs/dbraw/zinc/13/97/95/702139795.db2.gz NBQBFZXYEHSGNY-GQCTYLIASA-N 1 1 320.389 1.338 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@@H+](CCO)CCN1CCOCC1 ZINC000840911685 702277847 /nfs/dbraw/zinc/27/78/47/702277847.db2.gz MSGQUMDPUPEMMP-UHFFFAOYSA-N 1 1 321.465 1.188 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000840941267 702287447 /nfs/dbraw/zinc/28/74/47/702287447.db2.gz VEVOOHVWNJSYTM-KRWDZBQOSA-N 1 1 316.405 1.235 20 10 DDCDMO COCC(COC)[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000840953791 702291780 /nfs/dbraw/zinc/29/17/80/702291780.db2.gz APXHQYJAHFBAKB-UHFFFAOYSA-N 1 1 312.385 1.310 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@@]3(CCSC3)C1)OCO2 ZINC000842624651 702744643 /nfs/dbraw/zinc/74/46/43/702744643.db2.gz ODTSAVCIXJONEA-HNNXBMFYSA-N 1 1 309.387 1.829 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@]3(CCSC3)C1)OCO2 ZINC000842624651 702744644 /nfs/dbraw/zinc/74/46/44/702744644.db2.gz ODTSAVCIXJONEA-HNNXBMFYSA-N 1 1 309.387 1.829 20 10 DDCDMO Cc1cc(N(C)C)ccc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000843124562 702824572 /nfs/dbraw/zinc/82/45/72/702824572.db2.gz HORKXVOFNREBQA-GOSISDBHSA-N 1 1 302.466 1.541 20 10 DDCDMO CNS(=O)(=O)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000866457128 706702896 /nfs/dbraw/zinc/70/28/96/706702896.db2.gz JHOMZRJWLCSWIV-MRVPVSSYSA-N 1 1 308.350 1.260 20 10 DDCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000843433929 702881255 /nfs/dbraw/zinc/88/12/55/702881255.db2.gz MZMMDZWGUPYUCI-HUUCEWRRSA-N 1 1 315.369 1.901 20 10 DDCDMO CC(C)[C@](C)(CN)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844220897 702995744 /nfs/dbraw/zinc/99/57/44/702995744.db2.gz ODWRYVQMYNQNSS-SFHVURJKSA-N 1 1 320.481 1.674 20 10 DDCDMO CCN(CC)C(=O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399078 703026049 /nfs/dbraw/zinc/02/60/49/703026049.db2.gz FYVHUEGKBMNONZ-UHFFFAOYSA-N 1 1 307.438 1.932 20 10 DDCDMO CCN(CC)C(=O)C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399078 703026051 /nfs/dbraw/zinc/02/60/51/703026051.db2.gz FYVHUEGKBMNONZ-UHFFFAOYSA-N 1 1 307.438 1.932 20 10 DDCDMO C[C@@H](O)C[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000847102265 703377896 /nfs/dbraw/zinc/37/78/96/703377896.db2.gz XSIMZQRRFVUUEQ-CQSZACIVSA-N 1 1 319.449 1.556 20 10 DDCDMO COCC[N@@H+](Cc1cc(F)ccc1O)C[C@H](O)C(F)(F)F ZINC000848922646 703604079 /nfs/dbraw/zinc/60/40/79/703604079.db2.gz WLGCNBOMCBYGDG-LBPRGKRZSA-N 1 1 311.275 1.903 20 10 DDCDMO COCC[N@H+](Cc1cc(F)ccc1O)C[C@H](O)C(F)(F)F ZINC000848922646 703604080 /nfs/dbraw/zinc/60/40/80/703604080.db2.gz WLGCNBOMCBYGDG-LBPRGKRZSA-N 1 1 311.275 1.903 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c1 ZINC000850484455 703733433 /nfs/dbraw/zinc/73/34/33/703733433.db2.gz JEONIZXDQLZHHE-NORZTCDRSA-N 1 1 323.389 1.881 20 10 DDCDMO COc1ccc(N2CCC[N@@H+](CCc3cn[nH]n3)CC2)cc1 ZINC000851733451 703839744 /nfs/dbraw/zinc/83/97/44/703839744.db2.gz WCVDYUZSLTUKQS-UHFFFAOYSA-N 1 1 301.394 1.568 20 10 DDCDMO COc1ccc(N2CCC[N@H+](CCc3c[nH]nn3)CC2)cc1 ZINC000851733451 703839747 /nfs/dbraw/zinc/83/97/47/703839747.db2.gz 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320.389 1.309 20 10 DDCDMO COc1cc(CN2CC([N@@H+](C)[C@@H]3CCOC3)C2)cc(O)c1O ZINC001204343735 871064851 /nfs/dbraw/zinc/06/48/51/871064851.db2.gz ABBSLUQWSTXSHN-GFCCVEGCSA-N 1 1 308.378 1.011 20 10 DDCDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204350327 871072829 /nfs/dbraw/zinc/07/28/29/871072829.db2.gz GGBDVVASACPNHI-GFCCVEGCSA-N 1 1 309.362 1.882 20 10 DDCDMO [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001205725899 871753307 /nfs/dbraw/zinc/75/33/07/871753307.db2.gz MVOVDCNJMRGWRQ-AWEZNQCLSA-N 1 1 302.777 1.860 20 10 DDCDMO [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001205725899 871753317 /nfs/dbraw/zinc/75/33/17/871753317.db2.gz MVOVDCNJMRGWRQ-AWEZNQCLSA-N 1 1 302.777 1.860 20 10 DDCDMO CCN1CC(=O)N[C@@H]1c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001343491319 872646096 /nfs/dbraw/zinc/64/60/96/872646096.db2.gz QRMORCUSFDXRHP-INIZCTEOSA-N 1 1 306.385 1.028 20 10 DDCDMO Cc1cc(N)[nH+]cc1N(C)S(=O)(=O)Cc1ccc(N)cc1 ZINC001209966128 875180068 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CCN1C(=O)[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCN2C1=O ZINC000770293589 701274049 /nfs/dbraw/zinc/27/40/49/701274049.db2.gz YFTREWRTUCYTPH-GFCCVEGCSA-N 1 1 323.780 1.514 20 10 DDCDMO COC(=O)C[C@H]1COCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000808210245 701508016 /nfs/dbraw/zinc/50/80/16/701508016.db2.gz AHDAXJQHNBGXKQ-ZDUSSCGKSA-N 1 1 316.357 1.704 20 10 DDCDMO COC(=O)C[C@H]1COCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000808210245 701508018 /nfs/dbraw/zinc/50/80/18/701508018.db2.gz AHDAXJQHNBGXKQ-ZDUSSCGKSA-N 1 1 316.357 1.704 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)c(O)cc1C ZINC000840097735 701967854 /nfs/dbraw/zinc/96/78/54/701967854.db2.gz DIXFQAVYBQBKRE-ZDUSSCGKSA-N 1 1 320.389 1.983 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@@H+](CCO)C1CCN(C)CC1 ZINC000840907313 702276160 /nfs/dbraw/zinc/27/61/60/702276160.db2.gz CNFNAJKTVCEFSA-UHFFFAOYSA-N 1 1 305.466 1.950 20 10 DDCDMO CN(C)c1ccc(CNC[C@@H]2C[NH2+]CCO2)c(C(F)(F)F)c1 ZINC000841100559 702346226 /nfs/dbraw/zinc/34/62/26/702346226.db2.gz HXFBMEHNVGNQJQ-ZDUSSCGKSA-N 1 1 317.355 1.849 20 10 DDCDMO Nc1ccc(CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000841711949 702546473 /nfs/dbraw/zinc/54/64/73/702546473.db2.gz ZCCRXILVSTXUEX-CVEARBPZSA-N 1 1 302.422 1.737 20 10 DDCDMO Nc1ccc(CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000841711951 702546574 /nfs/dbraw/zinc/54/65/74/702546574.db2.gz ZCCRXILVSTXUEX-HZPDHXFCSA-N 1 1 302.422 1.737 20 10 DDCDMO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](N)c2ccccc2)cc1 ZINC000841846192 702582579 /nfs/dbraw/zinc/58/25/79/702582579.db2.gz KODFSQBYCAJNFA-DLBZAZTESA-N 1 1 312.417 1.569 20 10 DDCDMO COc1c([O-])c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1[N+](=O)[O-] ZINC000843126269 702825118 /nfs/dbraw/zinc/82/51/18/702825118.db2.gz HKWHMSKCXADUMU-TXEJJXNPSA-N 1 1 321.377 1.740 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)cc1 ZINC000843434291 702881525 /nfs/dbraw/zinc/88/15/25/702881525.db2.gz JONMLMOJSNHXGU-NVXWUHKLSA-N 1 1 320.433 1.889 20 10 DDCDMO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(Br)c1O ZINC000846048097 703230789 /nfs/dbraw/zinc/23/07/89/703230789.db2.gz UVAKTBDBPWQCMV-WDEREUQCSA-N 1 1 316.195 1.736 20 10 DDCDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(Br)c1O ZINC000846048097 703230791 /nfs/dbraw/zinc/23/07/91/703230791.db2.gz UVAKTBDBPWQCMV-WDEREUQCSA-N 1 1 316.195 1.736 20 10 DDCDMO COc1cccc([C@H](C)[NH2+]Cc2nnnn2CC2CC2)c1O ZINC000846164826 703245434 /nfs/dbraw/zinc/24/54/34/703245434.db2.gz RSMHAYYOWODTRR-JTQLQIEISA-N 1 1 303.366 1.648 20 10 DDCDMO C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(F)cc1O ZINC000866571219 706732259 /nfs/dbraw/zinc/73/22/59/706732259.db2.gz AXXYJHJGQUZFCN-SECBINFHSA-N 1 1 304.387 1.497 20 10 DDCDMO CCc1cccc(CN2CC[NH+](CCC(=O)N(C)C)CC2)c1O ZINC000848889572 703599081 /nfs/dbraw/zinc/59/90/81/703599081.db2.gz MJWKECNOFTXLPX-UHFFFAOYSA-N 1 1 319.449 1.551 20 10 DDCDMO Oc1ccc(Cl)c(F)c1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848926705 703604334 /nfs/dbraw/zinc/60/43/34/703604334.db2.gz 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705496431 /nfs/dbraw/zinc/49/64/31/705496431.db2.gz HEAXGJWNUOBBPZ-UHFFFAOYSA-N 1 1 305.466 1.889 20 10 DDCDMO CCc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC)C2)c1O ZINC000862462257 705718986 /nfs/dbraw/zinc/71/89/86/705718986.db2.gz OZDSEKDGXMSHTC-AWEZNQCLSA-N 1 1 307.394 1.084 20 10 DDCDMO CCc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC)C2)c1O ZINC000862462257 705718988 /nfs/dbraw/zinc/71/89/88/705718988.db2.gz OZDSEKDGXMSHTC-AWEZNQCLSA-N 1 1 307.394 1.084 20 10 DDCDMO CCNC(=O)C[N@@H+](CC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876545664 705753423 /nfs/dbraw/zinc/75/34/23/705753423.db2.gz RWFVGUFMHCTGFR-UHFFFAOYSA-N 1 1 319.449 1.606 20 10 DDCDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876617430 705786106 /nfs/dbraw/zinc/78/61/06/705786106.db2.gz NTBQDIBRWFALAI-CQSZACIVSA-N 1 1 320.433 1.889 20 10 DDCDMO CN1CC(C[N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000827125296 705934983 /nfs/dbraw/zinc/93/49/83/705934983.db2.gz ITHWNUSRYDAEQS-UHFFFAOYSA-N 1 1 307.413 1.656 20 10 DDCDMO [NH3+]CCCOCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000863484149 705938293 /nfs/dbraw/zinc/93/82/93/705938293.db2.gz HIYLZPSZIYPLRI-UHFFFAOYSA-N 1 1 303.200 1.610 20 10 DDCDMO O[C@]12C[C@H]1C[N@@H+](Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000827291926 705970129 /nfs/dbraw/zinc/97/01/29/705970129.db2.gz NLINDNWFZUCMRO-WMLDXEAASA-N 1 1 306.381 1.619 20 10 DDCDMO CCc1cccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1O ZINC000827700034 706052093 /nfs/dbraw/zinc/05/20/93/706052093.db2.gz OKVTULSZHLNOPR-QGZVFWFLSA-N 1 1 304.434 1.986 20 10 DDCDMO OC1CCN(c2ccc(C[N@@H+]3C[C@@H]4COC[C@H](C3)O4)cc2)CC1 ZINC000877503215 706125117 /nfs/dbraw/zinc/12/51/17/706125117.db2.gz GFVCYHSDYFNBCP-HDICACEKSA-N 1 1 318.417 1.247 20 10 DDCDMO OC1CCN(c2ccc(C[N@H+]3C[C@@H]4COC[C@H](C3)O4)cc2)CC1 ZINC000877503215 706125118 /nfs/dbraw/zinc/12/51/18/706125118.db2.gz GFVCYHSDYFNBCP-HDICACEKSA-N 1 1 318.417 1.247 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000877790806 706215152 /nfs/dbraw/zinc/21/51/52/706215152.db2.gz ONTLXILFRLNPLE-JKSUJKDBSA-N 1 1 322.474 1.928 20 10 DDCDMO CCN1CCN(c2ccc(CNC(=O)C[C@@H](C)[NH3+])cc2F)CC1 ZINC000828876505 706247859 /nfs/dbraw/zinc/24/78/59/706247859.db2.gz GYGWSMZCEDZOCH-CYBMUJFWSA-N 1 1 322.428 1.321 20 10 DDCDMO C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000926855729 712913405 /nfs/dbraw/zinc/91/34/05/712913405.db2.gz WAFIXJPOMXUDMA-RLFYNMQTSA-N 1 1 303.450 1.951 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CNC(=O)C2)c1 ZINC000926983509 712926674 /nfs/dbraw/zinc/92/66/74/712926674.db2.gz WVQYOYDVOQZOLC-WDEREUQCSA-N 1 1 306.362 1.356 20 10 DDCDMO CN(C)c1ccc(Cn2cc(C[N@@H+]3CCC[C@H]3CO)nn2)cc1 ZINC000881272123 707176232 /nfs/dbraw/zinc/17/62/32/707176232.db2.gz NCIVNOBDDJHLLV-KRWDZBQOSA-N 1 1 315.421 1.349 20 10 DDCDMO CN(C)c1ccc(Cn2cc(C[N@H+]3CCC[C@H]3CO)nn2)cc1 ZINC000881272123 707176234 /nfs/dbraw/zinc/17/62/34/707176234.db2.gz NCIVNOBDDJHLLV-KRWDZBQOSA-N 1 1 315.421 1.349 20 10 DDCDMO C[S@](=N)(=O)N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000872797006 707605909 /nfs/dbraw/zinc/60/59/09/707605909.db2.gz NUWVMDBZHWBCTA-JOCHJYFZSA-N 1 1 320.418 1.650 20 10 DDCDMO CS(=O)(=O)N1CCC([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000882886473 707838139 /nfs/dbraw/zinc/83/81/39/707838139.db2.gz WBOUJLCOHWEMSN-UHFFFAOYSA-N 1 1 320.361 1.184 20 10 DDCDMO CCN(CCC[NH2+]Cc1cc(F)cc(F)c1O)S(C)(=O)=O ZINC000882909116 707846281 /nfs/dbraw/zinc/84/62/81/707846281.db2.gz MWPRUTGYVCQDOK-UHFFFAOYSA-N 1 1 322.377 1.432 20 10 DDCDMO COc1c([O-])c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)ccc1[N+](=O)[O-] ZINC000839187137 708034322 /nfs/dbraw/zinc/03/43/22/708034322.db2.gz CAZSJIXSQHUXQM-YPMHNXCESA-N 1 1 308.334 1.920 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)ccc1[N+](=O)[O-] ZINC000839187137 708034324 /nfs/dbraw/zinc/03/43/24/708034324.db2.gz CAZSJIXSQHUXQM-YPMHNXCESA-N 1 1 308.334 1.920 20 10 DDCDMO COc1c(O)c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)ccc1[N+](=O)[O-] ZINC000839187137 708034327 /nfs/dbraw/zinc/03/43/27/708034327.db2.gz CAZSJIXSQHUXQM-YPMHNXCESA-N 1 1 308.334 1.920 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](CCO)CC(C)(C)C)cc1 ZINC000839484523 708051326 /nfs/dbraw/zinc/05/13/26/708051326.db2.gz DVAQERZPDSDQRZ-UHFFFAOYSA-N 1 1 321.465 1.709 20 10 DDCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1Cl ZINC000897051801 708216442 /nfs/dbraw/zinc/21/64/42/708216442.db2.gz FLTMTJKMVFJRLM-SNVBAGLBSA-N 1 1 318.826 1.464 20 10 DDCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncoc1C[NH3+] ZINC000884306156 708235638 /nfs/dbraw/zinc/23/56/38/708235638.db2.gz VYICKLKCUVQKLS-UHFFFAOYSA-N 1 1 302.378 1.862 20 10 DDCDMO CN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC[N@@H+](C)CC1 ZINC000897858268 708471934 /nfs/dbraw/zinc/47/19/34/708471934.db2.gz DTAOBCNTNFGKKA-UHFFFAOYSA-N 1 1 315.820 1.864 20 10 DDCDMO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@H](F)C3)cc2)CC1 ZINC000898188755 708569177 /nfs/dbraw/zinc/56/91/77/708569177.db2.gz OTEDANPSSCVYQK-IAGOWNOFSA-N 1 1 308.397 1.552 20 10 DDCDMO OC1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@H](F)C3)cc2)CC1 ZINC000898188755 708569179 /nfs/dbraw/zinc/56/91/79/708569179.db2.gz OTEDANPSSCVYQK-IAGOWNOFSA-N 1 1 308.397 1.552 20 10 DDCDMO CCn1nncc1CNC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898447375 708642731 /nfs/dbraw/zinc/64/27/31/708642731.db2.gz IRBFYSJVYJBWOJ-KRWDZBQOSA-N 1 1 316.453 1.757 20 10 DDCDMO CC(C)C[C@H]1CN(C)CC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902544111 710789994 /nfs/dbraw/zinc/78/99/94/710789994.db2.gz XACMLMQFWIXPFN-YOEHRIQHSA-N 1 1 320.433 1.980 20 10 DDCDMO CC(C)C[C@H]1C[N@H+](C)CCN1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902544111 710789995 /nfs/dbraw/zinc/78/99/95/710789995.db2.gz XACMLMQFWIXPFN-YOEHRIQHSA-N 1 1 320.433 1.980 20 10 DDCDMO CC(C)C[C@H]1C[N@@H+](C)CCN1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902544111 710789997 /nfs/dbraw/zinc/78/99/97/710789997.db2.gz XACMLMQFWIXPFN-YOEHRIQHSA-N 1 1 320.433 1.980 20 10 DDCDMO Oc1c(F)cc(F)cc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000894001621 710918654 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QYTUVIDDMYBUPT-CABZTGNLSA-N 1 1 316.195 1.330 20 10 DDCDMO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@]1(CO)CCOC1 ZINC000862426522 705715977 /nfs/dbraw/zinc/71/59/77/705715977.db2.gz ICHDJQFZHRVBMM-KRWDZBQOSA-N 1 1 324.396 1.246 20 10 DDCDMO Oc1cccc(Cl)c1C[NH+]1CCN(c2nccnn2)CC1 ZINC000862436922 705717893 /nfs/dbraw/zinc/71/78/93/705717893.db2.gz MNERYWXYURAVAU-UHFFFAOYSA-N 1 1 305.769 1.553 20 10 DDCDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000862475712 705721145 /nfs/dbraw/zinc/72/11/45/705721145.db2.gz UZKBMSBYXLCPIE-INIZCTEOSA-N 1 1 310.369 1.656 20 10 DDCDMO Cc1cccc(O)c1C[N@H+](C)C[C@@H](O)COCCOC(C)C ZINC000876637697 705796313 /nfs/dbraw/zinc/79/63/13/705796313.db2.gz ZDRFRUDFMQAJPI-OAHLLOKOSA-N 1 1 311.422 1.935 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)cc1F ZINC000826995701 705908995 /nfs/dbraw/zinc/90/89/95/705908995.db2.gz ZHPUMWJFPFENNX-CYBMUJFWSA-N 1 1 307.369 1.918 20 10 DDCDMO O=CN1CCC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC000827867924 706078631 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/nfs/dbraw/zinc/14/59/02/130145902.db2.gz XWXMSYSPPCCWQI-LLVKDONJSA-N 1 1 313.419 1.945 20 10 DDCDMO CCCOc1ccc(C[N@H+]2C[C@H]3OCCN(C)[C@H]3C2)c(O)c1 ZINC000093642173 407199975 /nfs/dbraw/zinc/19/99/75/407199975.db2.gz FFPTWIPCNWFWKZ-DOTOQJQBSA-N 1 1 306.406 1.696 20 10 DDCDMO CCOc1cccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1O ZINC000093664465 407200348 /nfs/dbraw/zinc/20/03/48/407200348.db2.gz PZRZIWJLQZOQFZ-HNNXBMFYSA-N 1 1 320.433 1.945 20 10 DDCDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cccc(OC)c1O ZINC000271206539 407573513 /nfs/dbraw/zinc/57/35/13/407573513.db2.gz RWSJTESNZLVWKT-LBPRGKRZSA-N 1 1 311.403 1.881 20 10 DDCDMO O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1O)N1CCOCC1 ZINC000179569135 407806283 /nfs/dbraw/zinc/80/62/83/407806283.db2.gz IANYUSNNXQKAIV-HNNXBMFYSA-N 1 1 304.390 1.606 20 10 DDCDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cccc(O)c2O)CC1 ZINC000187177491 407828491 /nfs/dbraw/zinc/82/84/91/407828491.db2.gz MMIRHMTUMABZFO-ZDUSSCGKSA-N 1 1 321.421 1.101 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)C[C@@H]2CCOC2)cc1 ZINC000178356958 408811003 /nfs/dbraw/zinc/81/10/03/408811003.db2.gz HBTNDJDOLRHVBX-INIZCTEOSA-N 1 1 319.449 1.679 20 10 DDCDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000291287663 408864003 /nfs/dbraw/zinc/86/40/03/408864003.db2.gz MRUGKMXWLGLJIA-QGZVFWFLSA-N 1 1 324.396 1.969 20 10 DDCDMO C[C@H]1C[N@@H+](CCCNC(=O)c2cccc(O)c2O)CCCO1 ZINC000277734065 409000845 /nfs/dbraw/zinc/00/08/45/409000845.db2.gz XSGHKRGFINXDLQ-LBPRGKRZSA-N 1 1 308.378 1.329 20 10 DDCDMO COc1c(O)c(C[NH2+]CCCC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000278921297 409113036 /nfs/dbraw/zinc/11/30/36/409113036.db2.gz UVICRGXKRKAGEG-UHFFFAOYSA-N 1 1 311.338 1.267 20 10 DDCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000280360598 409299512 /nfs/dbraw/zinc/29/95/12/409299512.db2.gz VJAMKNDOWYFGHJ-BXUZGUMPSA-N 1 1 304.390 1.772 20 10 DDCDMO COCCN1CCC[N@@H+](Cc2cc(C)c(C)cc2O)CC1=O ZINC000189300963 222041988 /nfs/dbraw/zinc/04/19/88/222041988.db2.gz IMTPGWGSPZCBKE-UHFFFAOYSA-N 1 1 306.406 1.690 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000367488979 418605149 /nfs/dbraw/zinc/60/51/49/418605149.db2.gz HMRDAOBHWYVYGP-QGZVFWFLSA-N 1 1 305.422 1.345 20 10 DDCDMO COc1ccc(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)c(O)c1 ZINC000377147650 418706139 /nfs/dbraw/zinc/70/61/39/418706139.db2.gz AJKJBTUKJLGFBB-HNNXBMFYSA-N 1 1 308.378 1.126 20 10 DDCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000377633405 418711483 /nfs/dbraw/zinc/71/14/83/418711483.db2.gz ZARUIPIPMZRPCD-CMPLNLGQSA-N 1 1 314.407 1.215 20 10 DDCDMO Cc1cccc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c1O ZINC000375519070 418654352 /nfs/dbraw/zinc/65/43/52/418654352.db2.gz MNZIJAJELIYBBQ-CABCVRRESA-N 1 1 314.389 1.135 20 10 DDCDMO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000368021987 418674551 /nfs/dbraw/zinc/67/45/51/418674551.db2.gz ULTMWQCWWFDCLX-CYBMUJFWSA-N 1 1 314.382 1.187 20 10 DDCDMO CCOc1cccc(C[N@H+]2CCCN(CC(=O)NC)CC2)c1O ZINC000378352456 418721084 /nfs/dbraw/zinc/72/10/84/418721084.db2.gz USAPVJBHRLCHST-UHFFFAOYSA-N 1 1 321.421 1.045 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000365799777 418910624 /nfs/dbraw/zinc/91/06/24/418910624.db2.gz XLYBBDSXOVAZTG-WZRBSPASSA-N 1 1 308.334 1.966 20 10 DDCDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1c(F)ccc(O)c1O ZINC000530277504 421590884 /nfs/dbraw/zinc/59/08/84/421590884.db2.gz VPZJDOJFWUMAKI-LLVKDONJSA-N 1 1 308.353 1.984 20 10 DDCDMO CNC(=O)NC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000298794636 277235324 /nfs/dbraw/zinc/23/53/24/277235324.db2.gz UOGJOPPIKFFKGH-UHFFFAOYSA-N 1 1 306.410 1.419 20 10 DDCDMO C[C@H]([C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1)[NH+]1CCOCC1 ZINC000181046317 526025210 /nfs/dbraw/zinc/02/52/10/526025210.db2.gz UWPCPCVAEPCBOA-DRKGASSASA-N 1 1 320.389 1.336 20 10 DDCDMO C[C@H](C(=O)NCc1ccc(N(C)C)cc1)[NH+]1CCSCC1 ZINC000130701355 526080369 /nfs/dbraw/zinc/08/03/69/526080369.db2.gz RWNCQTFNIFLANS-CYBMUJFWSA-N 1 1 307.463 1.806 20 10 DDCDMO CCS(=O)(=O)N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000052088248 696251734 /nfs/dbraw/zinc/25/17/34/696251734.db2.gz JYPULSAINGAHEN-UHFFFAOYSA-N 1 1 324.446 1.348 20 10 DDCDMO COc1ccc(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000082320299 696549108 /nfs/dbraw/zinc/54/91/08/696549108.db2.gz USIUGNADTXOSOI-CQSZACIVSA-N 1 1 303.406 1.296 20 10 DDCDMO COc1cc(O)c(C[N@H+](C)CC(=O)NC(C)(C)C)cc1OC ZINC000159511145 697310446 /nfs/dbraw/zinc/31/04/46/697310446.db2.gz PICYMXBJQNNBHB-UHFFFAOYSA-N 1 1 310.394 1.756 20 10 DDCDMO COc1cc(O)c(C[N@@H+](C)CC(=O)NC(C)(C)C)cc1OC ZINC000159511145 697310448 /nfs/dbraw/zinc/31/04/48/697310448.db2.gz PICYMXBJQNNBHB-UHFFFAOYSA-N 1 1 310.394 1.756 20 10 DDCDMO COc1c(O)c(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000774877961 697937449 /nfs/dbraw/zinc/93/74/49/697937449.db2.gz NURBKBYXBNCULC-ZDUSSCGKSA-N 1 1 321.377 1.978 20 10 DDCDMO COc1c(O)c(CN(C)[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000774877961 697937451 /nfs/dbraw/zinc/93/74/51/697937451.db2.gz NURBKBYXBNCULC-ZDUSSCGKSA-N 1 1 321.377 1.978 20 10 DDCDMO C[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1ccc(N(C)C)cc1 ZINC000775406957 697993516 /nfs/dbraw/zinc/99/35/16/697993516.db2.gz QMRGNJOSPCFHQB-RHSMWYFYSA-N 1 1 316.449 1.320 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)C[C@H]1C ZINC000280427029 698540178 /nfs/dbraw/zinc/54/01/78/698540178.db2.gz ZORXMZNHDWITKD-ZYHUDNBSSA-N 1 1 309.362 1.650 20 10 DDCDMO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000783542661 698849647 /nfs/dbraw/zinc/84/96/47/698849647.db2.gz XJVGKCMGHLXZME-HIFRSBDPSA-N 1 1 320.389 1.165 20 10 DDCDMO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000783542661 698849653 /nfs/dbraw/zinc/84/96/53/698849653.db2.gz XJVGKCMGHLXZME-HIFRSBDPSA-N 1 1 320.389 1.165 20 10 DDCDMO CC[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)[NH+](CC)CC ZINC000783786991 698879533 /nfs/dbraw/zinc/87/95/33/698879533.db2.gz XUKKJCAYBUTUPP-LBPRGKRZSA-N 1 1 309.362 1.944 20 10 DDCDMO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c1O ZINC000785986783 699115865 /nfs/dbraw/zinc/11/58/65/699115865.db2.gz XXSXWXPWFASFKE-LLVKDONJSA-N 1 1 304.799 1.217 20 10 DDCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c1O ZINC000785986783 699115868 /nfs/dbraw/zinc/11/58/68/699115868.db2.gz XXSXWXPWFASFKE-LLVKDONJSA-N 1 1 304.799 1.217 20 10 DDCDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000707164729 699245851 /nfs/dbraw/zinc/24/58/51/699245851.db2.gz ZOIJRZVHFUCWTH-VIFPVBQESA-N 1 1 313.195 1.852 20 10 DDCDMO CN(CCC[NH2+]Cc1c(O)ccc(Cl)c1F)S(C)(=O)=O ZINC000790950105 699604529 /nfs/dbraw/zinc/60/45/29/699604529.db2.gz TVPLBNYMGOVGKU-UHFFFAOYSA-N 1 1 324.805 1.556 20 10 DDCDMO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc(F)cc1O ZINC000756484361 700623655 /nfs/dbraw/zinc/62/36/55/700623655.db2.gz VEWGSVMEDPHWIY-JTQLQIEISA-N 1 1 318.414 1.900 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1)[C@@H](O)CO2 ZINC000762184942 700884107 /nfs/dbraw/zinc/88/41/07/700884107.db2.gz PFZCSJATXGORRM-WCQYABFASA-N 1 1 319.279 1.317 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]CC3(O)CCOCC3)cc2)CC1 ZINC000771831543 701333763 /nfs/dbraw/zinc/33/37/63/701333763.db2.gz ASYKBBXRCYFGOL-UHFFFAOYSA-N 1 1 319.449 1.070 20 10 DDCDMO COCC[C@H](COC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000810256621 701747895 /nfs/dbraw/zinc/74/78/95/701747895.db2.gz CHWNVLKZSOPFBP-WCQYABFASA-N 1 1 311.378 1.881 20 10 DDCDMO C[C@H]([NH2+]CCc1nnnn1C)c1cccc(C(F)(F)F)c1O ZINC000815590387 701899962 /nfs/dbraw/zinc/89/99/62/701899962.db2.gz UQXALETWMHVEDV-QMMMGPOBSA-N 1 1 315.299 1.828 20 10 DDCDMO COC(=O)[C@H]1CN(Cc2c(O)cccc2Cl)CC[N@@H+](C)C1 ZINC000840957720 702293405 /nfs/dbraw/zinc/29/34/05/702293405.db2.gz MQYVEBNKTJGPTQ-LLVKDONJSA-N 1 1 312.797 1.582 20 10 DDCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cccc(C(N)=O)c2)cc1 ZINC000841042848 702320591 /nfs/dbraw/zinc/32/05/91/702320591.db2.gz LUKHKHJZKBWYKN-QGZVFWFLSA-N 1 1 312.417 1.641 20 10 DDCDMO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000817415345 702374540 /nfs/dbraw/zinc/37/45/40/702374540.db2.gz RKULAMVJEDWGJO-INIZCTEOSA-N 1 1 316.449 1.006 20 10 DDCDMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000817415345 702374545 /nfs/dbraw/zinc/37/45/45/702374545.db2.gz RKULAMVJEDWGJO-INIZCTEOSA-N 1 1 316.449 1.006 20 10 DDCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000817420097 702376888 /nfs/dbraw/zinc/37/68/88/702376888.db2.gz OAAZVWSTNIMNKY-SECBINFHSA-N 1 1 311.748 1.666 20 10 DDCDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841300111 702416373 /nfs/dbraw/zinc/41/63/73/702416373.db2.gz NSIWBRYSXUPNPT-GFCCVEGCSA-N 1 1 320.393 1.370 20 10 DDCDMO [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000843123073 702824279 /nfs/dbraw/zinc/82/42/79/702824279.db2.gz YYFUTGMSBGCOAH-CYBMUJFWSA-N 1 1 309.385 1.351 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCN2CCCC2=O)c1 ZINC000846205446 703251030 /nfs/dbraw/zinc/25/10/30/703251030.db2.gz HEQUPUVOOGHBEV-LLVKDONJSA-N 1 1 306.362 1.452 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)CC[C@@H]2CCNC2=O)cc1 ZINC000847010844 703365252 /nfs/dbraw/zinc/36/52/52/703365252.db2.gz WJDZEBCUHGENNI-AWEZNQCLSA-N 1 1 305.422 1.589 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+][C@@H](CO)C3CCC3)cc2)CC1 ZINC000850350403 703726304 /nfs/dbraw/zinc/72/63/04/703726304.db2.gz RGCCIFDKRIAWKS-SFHVURJKSA-N 1 1 303.450 1.689 20 10 DDCDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000853583685 704275636 /nfs/dbraw/zinc/27/56/36/704275636.db2.gz VNLOPRJXSPBFAH-GFCCVEGCSA-N 1 1 321.377 1.309 20 10 DDCDMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875264884 705335284 /nfs/dbraw/zinc/33/52/84/705335284.db2.gz BFNLGICXIFHBHA-AWEZNQCLSA-N 1 1 319.405 1.528 20 10 DDCDMO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834570079 707088448 /nfs/dbraw/zinc/08/84/48/707088448.db2.gz CLBQGFGSYVIZOT-HUUCEWRRSA-N 1 1 317.433 1.557 20 10 DDCDMO CNS(=O)(=O)[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835028423 707158625 /nfs/dbraw/zinc/15/86/25/707158625.db2.gz 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ZINC000179574308 697439435 /nfs/dbraw/zinc/43/94/35/697439435.db2.gz UADOIFXFCIRDER-ZDUSSCGKSA-N 1 1 313.419 1.800 20 10 DDCDMO COCC(=O)N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000193407519 697664249 /nfs/dbraw/zinc/66/42/49/697664249.db2.gz HDSBGRXHDNTYJS-UHFFFAOYSA-N 1 1 304.390 1.172 20 10 DDCDMO COCCCOCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000773271902 697736842 /nfs/dbraw/zinc/73/68/42/697736842.db2.gz OQAYVIOVQWFHPT-OAHLLOKOSA-N 1 1 311.378 1.303 20 10 DDCDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000749790936 700184589 /nfs/dbraw/zinc/18/45/89/700184589.db2.gz KUDUOGSLEDRNSN-LBPRGKRZSA-N 1 1 321.402 1.064 20 10 DDCDMO COC(=O)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775048651 697957918 /nfs/dbraw/zinc/95/79/18/697957918.db2.gz NRVLZDMCYKQHIH-UHFFFAOYSA-N 1 1 312.322 1.740 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1OC ZINC000775668260 698021235 /nfs/dbraw/zinc/02/12/35/698021235.db2.gz VKGVIEOLRZKYCE-LBPRGKRZSA-N 1 1 306.362 1.216 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cc1OC ZINC000775668260 698021236 /nfs/dbraw/zinc/02/12/36/698021236.db2.gz VKGVIEOLRZKYCE-LBPRGKRZSA-N 1 1 306.362 1.216 20 10 DDCDMO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775737421 698027558 /nfs/dbraw/zinc/02/75/58/698027558.db2.gz UTXUELJTICCOAM-OAHLLOKOSA-N 1 1 318.465 1.252 20 10 DDCDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775737421 698027560 /nfs/dbraw/zinc/02/75/60/698027560.db2.gz UTXUELJTICCOAM-OAHLLOKOSA-N 1 1 318.465 1.252 20 10 DDCDMO COCC[N@H+]1CCC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779514758 698429440 /nfs/dbraw/zinc/42/94/40/698429440.db2.gz MOGBHMOJTDPVOS-VSKVDJIOSA-N 1 1 320.389 1.338 20 10 DDCDMO O=C1N[C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CC[C@@H]2CO1 ZINC000281241883 698542616 /nfs/dbraw/zinc/54/26/16/698542616.db2.gz LVHQYCNTLAIPSK-KOLCDFICSA-N 1 1 306.318 1.051 20 10 DDCDMO COCC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@H]1CCOC1 ZINC000782974978 698793035 /nfs/dbraw/zinc/79/30/35/698793035.db2.gz AZCRAUOIGHQPAU-SWLSCSKDSA-N 1 1 309.362 1.055 20 10 DDCDMO CCOC(=O)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000391230017 699097701 /nfs/dbraw/zinc/09/77/01/699097701.db2.gz WIWIKRHWMKDHHA-OAHLLOKOSA-N 1 1 322.405 1.131 20 10 DDCDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1cccc(O)c1O ZINC000790571467 699467249 /nfs/dbraw/zinc/46/72/49/699467249.db2.gz RMTGENRBDSUNIP-UHFFFAOYSA-N 1 1 324.340 1.917 20 10 DDCDMO Cn1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)nn1 ZINC000742367006 699875631 /nfs/dbraw/zinc/87/56/31/699875631.db2.gz CFIBMJIOLMPJRL-UHFFFAOYSA-N 1 1 305.357 1.081 20 10 DDCDMO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(F)cc1O ZINC000756604822 700631144 /nfs/dbraw/zinc/63/11/44/700631144.db2.gz GAQBDMYEUYEECF-SNVBAGLBSA-N 1 1 317.382 1.122 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c1 ZINC000756655497 700633879 /nfs/dbraw/zinc/63/38/79/700633879.db2.gz PVIKNQUAYXNIQH-SJKOYZFVSA-N 1 1 323.389 1.619 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)c1 ZINC000756655496 700633916 /nfs/dbraw/zinc/63/39/16/700633916.db2.gz PVIKNQUAYXNIQH-SJCJKPOMSA-N 1 1 323.389 1.619 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(=O)NC2CCCC2)c1 ZINC000756707287 700637187 /nfs/dbraw/zinc/63/71/87/700637187.db2.gz UVNIEAYOMIQGIE-NSHDSACASA-N 1 1 320.389 1.888 20 10 DDCDMO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000760554114 700813676 /nfs/dbraw/zinc/81/36/76/700813676.db2.gz YDWOWYDULFUPOP-INIZCTEOSA-N 1 1 315.417 1.917 20 10 DDCDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768440109 701176837 /nfs/dbraw/zinc/17/68/37/701176837.db2.gz NZBAWVSOEHULIZ-MLGOLLRUSA-N 1 1 320.389 1.166 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+](C[C@H]1CCOC1)C1CC1)[C@H](O)CO2 ZINC000768440204 701177037 /nfs/dbraw/zinc/17/70/37/701177037.db2.gz UKZXMSJCANVUKX-BDJLRTHQSA-N 1 1 305.374 1.819 20 10 DDCDMO COc1cc(C[N@@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)c(O)cc1C ZINC000840134798 701989128 /nfs/dbraw/zinc/98/91/28/701989128.db2.gz PEAJHDILGOFXQU-OKILXGFUSA-N 1 1 308.422 1.596 20 10 DDCDMO COc1cc(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c(O)cc1C ZINC000840134798 701989130 /nfs/dbraw/zinc/98/91/30/701989130.db2.gz PEAJHDILGOFXQU-OKILXGFUSA-N 1 1 308.422 1.596 20 10 DDCDMO COc1cc(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c(O)cc1C ZINC000840134798 701989132 /nfs/dbraw/zinc/98/91/32/701989132.db2.gz PEAJHDILGOFXQU-OKILXGFUSA-N 1 1 308.422 1.596 20 10 DDCDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000840186026 702018560 /nfs/dbraw/zinc/01/85/60/702018560.db2.gz VUIBVSIIUGUMIE-INIZCTEOSA-N 1 1 307.346 1.896 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000840910979 702277165 /nfs/dbraw/zinc/27/71/65/702277165.db2.gz ZEFJACCRBYPITR-UHFFFAOYSA-N 1 1 305.422 1.352 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000840917792 702278361 /nfs/dbraw/zinc/27/83/61/702278361.db2.gz MTZQECYPJWUPMC-SFHVURJKSA-N 1 1 321.465 1.186 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000840939531 702286378 /nfs/dbraw/zinc/28/63/78/702286378.db2.gz NMRGDTVKYFUGCO-HNNXBMFYSA-N 1 1 311.451 1.314 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)cc1OC ZINC000817413343 702374102 /nfs/dbraw/zinc/37/41/02/702374102.db2.gz WRFNZGOYKNJLLM-LBPRGKRZSA-N 1 1 311.378 1.381 20 10 DDCDMO COc1cc(O)c(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)cc1OC ZINC000817413343 702374109 /nfs/dbraw/zinc/37/41/09/702374109.db2.gz WRFNZGOYKNJLLM-LBPRGKRZSA-N 1 1 311.378 1.381 20 10 DDCDMO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCC[C@@H]3N)CC2)cc1 ZINC000817893535 702510809 /nfs/dbraw/zinc/51/08/09/702510809.db2.gz GNVQCOZALSZFOP-ZWKOTPCHSA-N 1 1 318.465 1.287 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1 ZINC000818431849 702647692 /nfs/dbraw/zinc/64/76/92/702647692.db2.gz VCISFFSHTXQEBD-LSDHHAIUSA-N 1 1 302.378 1.061 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1 ZINC000818431849 702647696 /nfs/dbraw/zinc/64/76/96/702647696.db2.gz VCISFFSHTXQEBD-LSDHHAIUSA-N 1 1 302.378 1.061 20 10 DDCDMO Cn1cc([C@@H]2CN(Cc3c(O)ccc(Cl)c3F)C[C@H]2[NH3+])cn1 ZINC000818431106 702647962 /nfs/dbraw/zinc/64/79/62/702647962.db2.gz FXEIQJVUMAGSEC-GXFFZTMASA-N 1 1 324.787 1.845 20 10 DDCDMO CN1CCN(c2ccc(CN3CC[NH2+]C[C@H]3C(F)F)cc2)CC1 ZINC000843124988 702824973 /nfs/dbraw/zinc/82/49/73/702824973.db2.gz VGJFGMUWQALWHU-INIZCTEOSA-N 1 1 324.419 1.477 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000843420647 702877402 /nfs/dbraw/zinc/87/74/02/702877402.db2.gz BAOMCENULZQRBJ-MFKMUULPSA-N 1 1 308.334 1.920 20 10 DDCDMO COc1c(O)c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000843420647 702877404 /nfs/dbraw/zinc/87/74/04/702877404.db2.gz BAOMCENULZQRBJ-MFKMUULPSA-N 1 1 308.334 1.920 20 10 DDCDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000843433555 702880322 /nfs/dbraw/zinc/88/03/22/702880322.db2.gz DZXLNQDQVQWGEA-MNOVXSKESA-N 1 1 313.781 1.710 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CCNC(=O)CC2)cc1 ZINC000844401787 703026288 /nfs/dbraw/zinc/02/62/88/703026288.db2.gz MYTACQGNAXTWNK-HNNXBMFYSA-N 1 1 319.449 1.980 20 10 DDCDMO C[C@H](CNC(=O)NCc1ccccc1O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847302782 703398708 /nfs/dbraw/zinc/39/87/08/703398708.db2.gz QJGXLFGFARRRLN-MCIONIFRSA-N 1 1 321.421 1.689 20 10 DDCDMO C[C@H](CNC(=O)NCc1ccccc1O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847302782 703398709 /nfs/dbraw/zinc/39/87/09/703398709.db2.gz QJGXLFGFARRRLN-MCIONIFRSA-N 1 1 321.421 1.689 20 10 DDCDMO C[C@H](CNC(=O)Cc1ccc(N)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848431285 703549902 /nfs/dbraw/zinc/54/99/02/703549902.db2.gz HZRPFCRCXSENKV-MCIONIFRSA-N 1 1 305.422 1.425 20 10 DDCDMO C[C@H](CNC(=O)Cc1ccc(N)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848431285 703549904 /nfs/dbraw/zinc/54/99/04/703549904.db2.gz HZRPFCRCXSENKV-MCIONIFRSA-N 1 1 305.422 1.425 20 10 DDCDMO CCc1cccc(C[NH+]2CCN(S(=O)(=O)CC)CC2)c1O ZINC000848881853 703597525 /nfs/dbraw/zinc/59/75/25/703597525.db2.gz VOZNMQIDCXZDRL-UHFFFAOYSA-N 1 1 312.435 1.422 20 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HZWYKZIXWGGDQY-UHFFFAOYSA-N 1 1 302.777 1.731 20 10 DDCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1O ZINC000876814372 705888744 /nfs/dbraw/zinc/88/87/44/705888744.db2.gz FFHQNRZOTZNFDV-QAPCUYQASA-N 1 1 304.434 1.850 20 10 DDCDMO COc1cc(Cl)cc(C[N@@H+](C)C[C@H]2COCCO2)c1O ZINC000827141205 705938410 /nfs/dbraw/zinc/93/84/10/705938410.db2.gz QAAOIRIUPZEVMB-LBPRGKRZSA-N 1 1 301.770 1.901 20 10 DDCDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000827283623 705968183 /nfs/dbraw/zinc/96/81/83/705968183.db2.gz QWZKETKUGJKHBI-SJLPKXTDSA-N 1 1 302.418 1.992 20 10 DDCDMO C[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@]1(C)CO ZINC000827700868 706052770 /nfs/dbraw/zinc/05/27/70/706052770.db2.gz YMTDUYHKRPTKGB-QFBILLFUSA-N 1 1 317.477 1.889 20 10 DDCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@]1(C)CO ZINC000827700868 706052773 /nfs/dbraw/zinc/05/27/73/706052773.db2.gz YMTDUYHKRPTKGB-QFBILLFUSA-N 1 1 317.477 1.889 20 10 DDCDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877481951 706119053 /nfs/dbraw/zinc/11/90/53/706119053.db2.gz YHJUQUWMESCYMJ-LSDHHAIUSA-N 1 1 309.406 1.546 20 10 DDCDMO C[N@@H+](CCS(N)(=O)=O)Cc1cc(-c2ccccc2)ccc1O ZINC000877826469 706225414 /nfs/dbraw/zinc/22/54/14/706225414.db2.gz CDFBBRGZVGRZTM-UHFFFAOYSA-N 1 1 320.414 1.780 20 10 DDCDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000836216169 707418769 /nfs/dbraw/zinc/41/87/69/707418769.db2.gz IRYRNUPOXLFBLO-OAHLLOKOSA-N 1 1 304.438 1.988 20 10 DDCDMO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C1=CC(=O)CS1 ZINC000829236250 706306319 /nfs/dbraw/zinc/30/63/19/706306319.db2.gz SQLXUZFMTDSVEG-UHFFFAOYSA-N 1 1 310.419 1.638 20 10 DDCDMO CN(C)c1ccc(Cn2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)cc1 ZINC000881272124 707175986 /nfs/dbraw/zinc/17/59/86/707175986.db2.gz NCIVNOBDDJHLLV-QGZVFWFLSA-N 1 1 315.421 1.349 20 10 DDCDMO CN(C)c1ccc(Cn2cc(C[N@H+]3CCC[C@@H]3CO)nn2)cc1 ZINC000881272124 707175990 /nfs/dbraw/zinc/17/59/90/707175990.db2.gz NCIVNOBDDJHLLV-QGZVFWFLSA-N 1 1 315.421 1.349 20 10 DDCDMO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000882935018 707859882 /nfs/dbraw/zinc/85/98/82/707859882.db2.gz BLJLZVCQOBOZHL-LLVKDONJSA-N 1 1 320.361 1.184 20 10 DDCDMO CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000883160835 707943870 /nfs/dbraw/zinc/94/38/70/707943870.db2.gz BQVLOTRKRNRAJS-ZDUSSCGKSA-N 1 1 311.382 1.483 20 10 DDCDMO CCC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)CC(C)(C)O ZINC000839479832 708050930 /nfs/dbraw/zinc/05/09/30/708050930.db2.gz KKNLHMGOFAVCQO-UHFFFAOYSA-N 1 1 321.465 1.852 20 10 DDCDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCSc1nccs1 ZINC000900683783 709710169 /nfs/dbraw/zinc/71/01/69/709710169.db2.gz RUVUUFKWWBHUSD-GWCFXTLKSA-N 1 1 315.464 1.197 20 10 DDCDMO Cc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c(O)c1O ZINC000928089893 713125420 /nfs/dbraw/zinc/12/54/20/713125420.db2.gz LWRLWXPGIZHBNI-STQMWFEESA-N 1 1 322.430 1.716 20 10 DDCDMO COc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c(O)c1OC ZINC000891646740 710256885 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CC(=O)c1cc(F)cc(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1O ZINC000842163781 702678721 /nfs/dbraw/zinc/67/87/21/702678721.db2.gz SJYYQMFPBQMNDZ-NWDGAFQWSA-N 1 1 324.396 1.621 20 10 DDCDMO CC(=O)c1cc(F)cc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)c1O ZINC000842163781 702678722 /nfs/dbraw/zinc/67/87/22/702678722.db2.gz SJYYQMFPBQMNDZ-NWDGAFQWSA-N 1 1 324.396 1.621 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000843415307 702876591 /nfs/dbraw/zinc/87/65/91/702876591.db2.gz IYWIFIHKBNFEGI-LBPRGKRZSA-N 1 1 300.362 1.877 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000843414419 702876796 /nfs/dbraw/zinc/87/67/96/702876796.db2.gz DGRDZIVHSJAUHY-CYBMUJFWSA-N 1 1 300.362 1.877 20 10 DDCDMO CCOc1ccc(C[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)c(O)c1 ZINC000843435717 702881910 /nfs/dbraw/zinc/88/19/10/702881910.db2.gz XLXHQQSDVUWICE-OLZOCXBDSA-N 1 1 309.362 1.147 20 10 DDCDMO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(Br)c1O ZINC000846053494 703230980 /nfs/dbraw/zinc/23/09/80/703230980.db2.gz UVAKTBDBPWQCMV-GHMZBOCLSA-N 1 1 316.195 1.736 20 10 DDCDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc(Br)c1O ZINC000846053494 703230982 /nfs/dbraw/zinc/23/09/82/703230982.db2.gz UVAKTBDBPWQCMV-GHMZBOCLSA-N 1 1 316.195 1.736 20 10 DDCDMO C[NH2+]C[C@@](C)(O)CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000846219955 703252628 /nfs/dbraw/zinc/25/26/28/703252628.db2.gz DMMMJDLNGVPNGL-QGZVFWFLSA-N 1 1 307.438 1.178 20 10 DDCDMO C[C@@H](O)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000848929693 703604625 /nfs/dbraw/zinc/60/46/25/703604625.db2.gz YTNWXROCOHKDFK-OAHLLOKOSA-N 1 1 303.450 1.784 20 10 DDCDMO C[C@@H](O)C[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000848929693 703604626 /nfs/dbraw/zinc/60/46/26/703604626.db2.gz YTNWXROCOHKDFK-OAHLLOKOSA-N 1 1 303.450 1.784 20 10 DDCDMO C[C@@H](O)C[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000848929693 703604627 /nfs/dbraw/zinc/60/46/27/703604627.db2.gz YTNWXROCOHKDFK-OAHLLOKOSA-N 1 1 303.450 1.784 20 10 DDCDMO COC[C@@H](CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)OC ZINC000850485446 703733545 /nfs/dbraw/zinc/73/35/45/703733545.db2.gz IFAYZTIRAAYUIV-WCQYABFASA-N 1 1 311.378 1.881 20 10 DDCDMO COc1ccc(N2CCC[N@@H+](C[C@@H]3CNC(=O)C3)CC2)cc1 ZINC000851733560 703839916 /nfs/dbraw/zinc/83/99/16/703839916.db2.gz ZPSJMVWOOVTFMI-AWEZNQCLSA-N 1 1 303.406 1.343 20 10 DDCDMO C[N@@H+](C[C@@H](O)CNCc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000818973199 704039504 /nfs/dbraw/zinc/03/95/04/704039504.db2.gz NPHWAKOTLNWVGG-SFHVURJKSA-N 1 1 319.449 1.068 20 10 DDCDMO CN(C[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000818973199 704039507 /nfs/dbraw/zinc/03/95/07/704039507.db2.gz NPHWAKOTLNWVGG-SFHVURJKSA-N 1 1 319.449 1.068 20 10 DDCDMO Oc1c(Br)cccc1CN1CCOC2(C[NH2+]C2)C1 ZINC000853249089 704224916 /nfs/dbraw/zinc/22/49/16/704224916.db2.gz NDNWZTPZVLYJIS-UHFFFAOYSA-N 1 1 313.195 1.329 20 10 DDCDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CC[C@H]2N1 ZINC000853556133 704268267 /nfs/dbraw/zinc/26/82/67/704268267.db2.gz XYJNMYAZOWGWPR-ZYHUDNBSSA-N 1 1 304.346 1.221 20 10 DDCDMO Oc1ccccc1C[N@@H+](CCc1cn[nH]n1)C[C@H]1CCCO1 ZINC000821392196 704402784 /nfs/dbraw/zinc/40/27/84/704402784.db2.gz VLBGRJXEIIIEST-OAHLLOKOSA-N 1 1 302.378 1.734 20 10 DDCDMO Oc1ccccc1C[N@H+](CCc1c[nH]nn1)C[C@H]1CCCO1 ZINC000821392196 704402785 /nfs/dbraw/zinc/40/27/85/704402785.db2.gz VLBGRJXEIIIEST-OAHLLOKOSA-N 1 1 302.378 1.734 20 10 DDCDMO Oc1ccccc1C[N@@H+](CCc1c[nH]nn1)C[C@H]1CCCO1 ZINC000821392196 704402786 /nfs/dbraw/zinc/40/27/86/704402786.db2.gz VLBGRJXEIIIEST-OAHLLOKOSA-N 1 1 302.378 1.734 20 10 DDCDMO COC[C@@]1(C)C[N@H+](Cc2cc(OC)c(OC)cc2O)CCO1 ZINC000862550961 705731823 /nfs/dbraw/zinc/73/18/23/705731823.db2.gz HZGYYLDRTWXJGP-MRXNPFEDSA-N 1 1 311.378 1.647 20 10 DDCDMO COC[C@@]1(C)C[N@@H+](Cc2cc(OC)c(OC)cc2O)CCO1 ZINC000862550961 705731827 /nfs/dbraw/zinc/73/18/27/705731827.db2.gz HZGYYLDRTWXJGP-MRXNPFEDSA-N 1 1 311.378 1.647 20 10 DDCDMO COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)on1 ZINC000877635547 706165757 /nfs/dbraw/zinc/16/57/57/706165757.db2.gz WCZDDYQCKHKQCT-UHFFFAOYSA-N 1 1 303.362 1.810 20 10 DDCDMO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3c(C)cccc3O)C2)C1 ZINC000877712401 706185074 /nfs/dbraw/zinc/18/50/74/706185074.db2.gz LKYFZQYPBLOSTE-INIZCTEOSA-N 1 1 304.346 1.594 20 10 DDCDMO COc1cccc(O)c1C[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000877794599 706217576 /nfs/dbraw/zinc/21/75/76/706217576.db2.gz XABHWAQVPXMAPL-NWDGAFQWSA-N 1 1 311.403 1.267 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000877794599 706217579 /nfs/dbraw/zinc/21/75/79/706217579.db2.gz XABHWAQVPXMAPL-NWDGAFQWSA-N 1 1 311.403 1.267 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000835048767 707162348 /nfs/dbraw/zinc/16/23/48/707162348.db2.gz XZKPUKSWFZUNQB-WMHVBEDNSA-N 1 1 323.462 1.519 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000835048767 707162351 /nfs/dbraw/zinc/16/23/51/707162351.db2.gz XZKPUKSWFZUNQB-WMHVBEDNSA-N 1 1 323.462 1.519 20 10 DDCDMO CC1(C)CN(CC[NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000882984929 707884910 /nfs/dbraw/zinc/88/49/10/707884910.db2.gz ZBGRJEGERUHURT-UHFFFAOYSA-N 1 1 300.349 1.871 20 10 DDCDMO Cc1ccc([C@@H](C)[NH2+]Cc2nnc3c(=O)n(C)ccn23)c(O)c1 ZINC000883335472 707978276 /nfs/dbraw/zinc/97/82/76/707978276.db2.gz UBXUWMSCUFNHIE-LLVKDONJSA-N 1 1 313.361 1.293 20 10 DDCDMO Cn1nc(Br)nc1CNCc1c([O-])cccc1F ZINC000896640413 708105345 /nfs/dbraw/zinc/10/53/45/708105345.db2.gz IDOBGRYJFBIQKO-UHFFFAOYSA-N 1 1 315.146 1.712 20 10 DDCDMO CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886599245 708789113 /nfs/dbraw/zinc/78/91/13/708789113.db2.gz UXPVBNPVJXBORJ-RYUDHWBXSA-N 1 1 301.358 1.596 20 10 DDCDMO CN(C)c1ccc([C@H](CNC(=O)C2(N(C)C)CC2)[NH+](C)C)cc1 ZINC000891249608 710141944 /nfs/dbraw/zinc/14/19/44/710141944.db2.gz ROYOLYYBWHJHKQ-INIZCTEOSA-N 1 1 318.465 1.566 20 10 DDCDMO COc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)c(O)c1OC ZINC000892247287 710403468 /nfs/dbraw/zinc/40/34/68/710403468.db2.gz VKBAQEWCNIMWQC-LBPRGKRZSA-N 1 1 322.361 1.436 20 10 DDCDMO COc1ccc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)c(O)c1OC ZINC000892247287 710403469 /nfs/dbraw/zinc/40/34/69/710403469.db2.gz VKBAQEWCNIMWQC-LBPRGKRZSA-N 1 1 322.361 1.436 20 10 DDCDMO Oc1c(F)cc(F)cc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000894001619 710918523 /nfs/dbraw/zinc/91/85/23/710918523.db2.gz KGYSVGUPPVCZEH-GJZGRUSLSA-N 1 1 312.360 1.701 20 10 DDCDMO COc1cc(C)cc(C[NH+]2CCN([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000894003370 710919968 /nfs/dbraw/zinc/91/99/68/710919968.db2.gz WDBDAFRITLSJHK-HOTGVXAUSA-N 1 1 320.433 1.740 20 10 DDCDMO COc1cc(C)cc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1O ZINC000894242719 711031867 /nfs/dbraw/zinc/03/18/67/711031867.db2.gz URFXJSMTBMDFEB-GJZGRUSLSA-N 1 1 306.406 1.662 20 10 DDCDMO COc1cc(C)cc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1O ZINC000894242719 711031871 /nfs/dbraw/zinc/03/18/71/711031871.db2.gz URFXJSMTBMDFEB-GJZGRUSLSA-N 1 1 306.406 1.662 20 10 DDCDMO COc1cc(C)cc(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1O ZINC000894608296 711211443 /nfs/dbraw/zinc/21/14/43/711211443.db2.gz HDZXOECTKBXVQT-KGLIPLIRSA-N 1 1 308.422 1.596 20 10 DDCDMO COc1cc(C)cc(C[N@@H+]2CCN(C[C@H](C)O)C[C@H]2C)c1O ZINC000894608296 711211447 /nfs/dbraw/zinc/21/14/47/711211447.db2.gz HDZXOECTKBXVQT-KGLIPLIRSA-N 1 1 308.422 1.596 20 10 DDCDMO COc1cc(C)cc(C[N@H+]2CCN(C[C@H](C)O)C[C@H]2C)c1O ZINC000894608296 711211451 /nfs/dbraw/zinc/21/14/51/711211451.db2.gz HDZXOECTKBXVQT-KGLIPLIRSA-N 1 1 308.422 1.596 20 10 DDCDMO COc1cc(C)cc(C[N@H+](C)CCCN2CCN(C)CC2)c1O ZINC000894770975 711265646 /nfs/dbraw/zinc/26/56/46/711265646.db2.gz UNKNWPVOHGSWKG-UHFFFAOYSA-N 1 1 321.465 1.779 20 10 DDCDMO COc1cc(C)cc(C[N@@H+](C)CCCN2CCN(C)CC2)c1O ZINC000894770975 711265650 /nfs/dbraw/zinc/26/56/50/711265650.db2.gz UNKNWPVOHGSWKG-UHFFFAOYSA-N 1 1 321.465 1.779 20 10 DDCDMO CON(C)C(=O)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000894817141 711283165 /nfs/dbraw/zinc/28/31/65/711283165.db2.gz YDUXLVWPQQJMGK-UHFFFAOYSA-N 1 1 314.332 1.902 20 10 DDCDMO C[C@]12C[NH+](Cc3cc(F)cc(F)c3O)C[C@]1(C)C(=O)NC2=O ZINC000895418346 711507905 /nfs/dbraw/zinc/50/79/05/711507905.db2.gz MVQAGHQPTKIBAK-HUUCEWRRSA-N 1 1 310.300 1.155 20 10 DDCDMO CC(C)N1CC[NH+](CCC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000913726355 713290031 /nfs/dbraw/zinc/29/00/31/713290031.db2.gz NFLACGHOQHRFLM-UHFFFAOYSA-N 1 1 317.433 1.651 20 10 DDCDMO C[C@H](NC(=O)NCc1c(O)cccc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000921557019 713807381 /nfs/dbraw/zinc/80/73/81/713807381.db2.gz SQSZJOJLEFXKIM-HZMBPMFUSA-N 1 1 311.357 1.050 20 10 DDCDMO c1cc2c(cc1CNC[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCCO2 ZINC000921689487 713844043 /nfs/dbraw/zinc/84/40/43/713844043.db2.gz DUBJHUDOZMVYCG-SJORKVTESA-N 1 1 302.418 1.964 20 10 DDCDMO c1cc2c(cc1C[NH2+]C[C@H]1CN3CCC[C@@H]3CO1)CCCO2 ZINC000921689487 713844046 /nfs/dbraw/zinc/84/40/46/713844046.db2.gz DUBJHUDOZMVYCG-SJORKVTESA-N 1 1 302.418 1.964 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]CC[C@H]3CNC(=O)C3)cc2)CC1 ZINC000922783237 714146790 /nfs/dbraw/zinc/14/67/90/714146790.db2.gz MRZIZFOGPDPFKM-MRXNPFEDSA-N 1 1 316.449 1.054 20 10 DDCDMO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cnn(C)n1 ZINC000926722880 715118486 /nfs/dbraw/zinc/11/84/86/715118486.db2.gz AJHTZZSHBAQYEP-ZDUSSCGKSA-N 1 1 315.421 1.627 20 10 DDCDMO [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001205248958 751349572 /nfs/dbraw/zinc/34/95/72/751349572.db2.gz UTGWIGJCKTWSFW-CQSZACIVSA-N 1 1 302.777 1.860 20 10 DDCDMO Oc1cc(O)c(CCNC2CC[NH+](CC3CC3)CC2)cc1O ZINC001168355809 742248504 /nfs/dbraw/zinc/24/85/04/742248504.db2.gz BKCKFQWBSDTNPJ-UHFFFAOYSA-N 1 1 306.406 1.810 20 10 DDCDMO Oc1ccc(C[N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c(O)c1 ZINC001204282083 742943844 /nfs/dbraw/zinc/94/38/44/742943844.db2.gz NMKNHTKLQXUFFM-ZDUSSCGKSA-N 1 1 305.309 1.680 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)cc1 ZINC001184364662 744020038 /nfs/dbraw/zinc/02/00/38/744020038.db2.gz WCOVABXIQDPPKB-OAZXXZECSA-N 1 1 304.434 1.689 20 10 DDCDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc(OC)n1 ZINC001015105374 756125896 /nfs/dbraw/zinc/12/58/96/756125896.db2.gz 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OC[C@]12C[C@H]1C[N@@H+](Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000783742277 698872314 /nfs/dbraw/zinc/87/23/14/698872314.db2.gz NWCZFMPRANRRGA-WMLDXEAASA-N 1 1 306.381 1.477 20 10 DDCDMO C[N@@H+](Cc1cc(Cl)ccc1O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000380503810 699062221 /nfs/dbraw/zinc/06/22/21/699062221.db2.gz YBQACIYXFOKBAF-LBPRGKRZSA-N 1 1 318.826 1.511 20 10 DDCDMO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000788537003 699322309 /nfs/dbraw/zinc/32/23/09/699322309.db2.gz SBOZGFMBWLVKSM-YJBOKZPZSA-N 1 1 319.449 1.068 20 10 DDCDMO COC(=O)[C@H](C)C[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000726786598 699379635 /nfs/dbraw/zinc/37/96/35/699379635.db2.gz OAGJYVWIQHAGMQ-SNVBAGLBSA-N 1 1 307.346 1.894 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c(O)cc1C ZINC000790451577 699460939 /nfs/dbraw/zinc/46/09/39/699460939.db2.gz DEGMVQXOOVUFSH-AWEZNQCLSA-N 1 1 304.390 1.906 20 10 DDCDMO CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1cc(OC)ccc1O ZINC000733905698 699623183 /nfs/dbraw/zinc/62/31/83/699623183.db2.gz 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ZINC000877764190 706201141 /nfs/dbraw/zinc/20/11/41/706201141.db2.gz WPOIAXHCWTZRPH-TXEJJXNPSA-N 1 1 300.349 1.063 20 10 DDCDMO COc1cccc(C[N@@H+](C)CCN2CC3(C2)CCOCC3)c1O ZINC000877765658 706202884 /nfs/dbraw/zinc/20/28/84/706202884.db2.gz NSVLYSARAZWDFC-UHFFFAOYSA-N 1 1 320.433 1.945 20 10 DDCDMO COc1cccc(CN(C)CC[NH+]2CC3(C2)CCOCC3)c1O ZINC000877765658 706202887 /nfs/dbraw/zinc/20/28/87/706202887.db2.gz NSVLYSARAZWDFC-UHFFFAOYSA-N 1 1 320.433 1.945 20 10 DDCDMO CCc1cccc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1O ZINC000877788759 706213874 /nfs/dbraw/zinc/21/38/74/706213874.db2.gz GQEGEIWMHWGNGW-HUUCEWRRSA-N 1 1 309.431 1.821 20 10 DDCDMO Cn1nnnc1CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000878241350 706335536 /nfs/dbraw/zinc/33/55/36/706335536.db2.gz SSIHUJWQNSDXAG-AWEZNQCLSA-N 1 1 317.393 1.139 20 10 DDCDMO COC[C@@](C)(CO)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000865672334 706493087 /nfs/dbraw/zinc/49/30/87/706493087.db2.gz QIGNTQFSXXTNDK-CYBMUJFWSA-N 1 1 318.211 1.950 20 10 DDCDMO CCN1C[C@H]([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1=O ZINC000834892403 707146201 /nfs/dbraw/zinc/14/62/01/707146201.db2.gz VHMLGHKJPQGVJG-CMPLNLGQSA-N 1 1 306.362 1.450 20 10 DDCDMO C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CS1(=O)=O ZINC000883170379 707946278 /nfs/dbraw/zinc/94/62/78/707946278.db2.gz SELQSFAOXIRBJK-GZMMTYOYSA-N 1 1 305.346 1.726 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)cc2)CC1 ZINC000897818847 708460389 /nfs/dbraw/zinc/46/03/89/708460389.db2.gz MPBISRPKDPSINY-LFDJNIOPSA-N 1 1 313.445 1.704 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CC34CC(O)C4)cc2)CC1 ZINC000897849692 708469303 /nfs/dbraw/zinc/46/93/03/708469303.db2.gz ZAQVEXVOZKSVIN-ADKAHSJRSA-N 1 1 301.434 1.441 20 10 DDCDMO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1c(O)cccc1F ZINC000886532040 708774343 /nfs/dbraw/zinc/77/43/43/708774343.db2.gz CASLDOPPLYVKCW-SNVBAGLBSA-N 1 1 317.382 1.122 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1C1OCCO1)[C@H](O)CO2 ZINC000902624129 710823687 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Cc1nnc(CC[N@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000929186205 713563166 /nfs/dbraw/zinc/56/31/66/713563166.db2.gz ZBKDRFSHUKHJGS-UHFFFAOYSA-N 1 1 316.405 1.889 20 10 DDCDMO O=C(NCc1c(O)cccc1F)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000919628594 713623408 /nfs/dbraw/zinc/62/34/08/713623408.db2.gz UKQZAHUPVLMSEK-LBPRGKRZSA-N 1 1 307.369 1.815 20 10 DDCDMO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000923369876 714330511 /nfs/dbraw/zinc/33/05/11/714330511.db2.gz MZPDMLNBKQARNG-IIDMSEBBSA-N 1 1 303.450 1.999 20 10 DDCDMO COC(=O)c1c[nH+]ccc1NCCc1cc(O)c(O)cc1O ZINC001168013967 740622569 /nfs/dbraw/zinc/62/25/69/740622569.db2.gz MHMUXNVGQSCDEE-UHFFFAOYSA-N 1 1 304.302 1.062 20 10 DDCDMO CC[N@@H+](Cc1cnc(C(=O)OC)cn1)Cc1ccccc1O ZINC001141830684 740820431 /nfs/dbraw/zinc/82/04/31/740820431.db2.gz ZFKBMWAWVMGNQL-UHFFFAOYSA-N 1 1 301.346 1.991 20 10 DDCDMO CC[N@H+]1CCO[C@@H]2CN(Cc3cc(F)c(F)cc3O)C[C@@H]2C1 ZINC001142520322 742142028 /nfs/dbraw/zinc/14/20/28/742142028.db2.gz 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CCc1cccc(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c1O ZINC000848882339 703597790 /nfs/dbraw/zinc/59/77/90/703597790.db2.gz ZHWHJQGGXHFLKW-CQSZACIVSA-N 1 1 312.435 1.468 20 10 DDCDMO CCc1cccc(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c1O ZINC000848908287 703601990 /nfs/dbraw/zinc/60/19/90/703601990.db2.gz PZYBUSFENYSSSJ-MAUKXSAKSA-N 1 1 319.401 1.966 20 10 DDCDMO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000819582986 704145109 /nfs/dbraw/zinc/14/51/09/704145109.db2.gz RVKHURKGLAERHF-CABCVRRESA-N 1 1 317.433 1.589 20 10 DDCDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000853603259 704283062 /nfs/dbraw/zinc/28/30/62/704283062.db2.gz OPAOVENQENZEGI-LBPRGKRZSA-N 1 1 320.389 1.858 20 10 DDCDMO C[C@H]1C[C@@H](NCc2nc(C[NH3+])cc(=O)[nH]2)c2c1c(F)ccc2O ZINC000854232886 704369565 /nfs/dbraw/zinc/36/95/65/704369565.db2.gz TWZVRJQYBYLTNJ-GZMMTYOYSA-N 1 1 318.352 1.824 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000857060903 704549202 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COc1cc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3CCO)c(O)cc1C ZINC000902644841 710837554 /nfs/dbraw/zinc/83/75/54/710837554.db2.gz QRJHUPSYJHIIRJ-HZPDHXFCSA-N 1 1 320.433 1.740 20 10 DDCDMO COc1cc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(O)cc1C ZINC000902644841 710837557 /nfs/dbraw/zinc/83/75/57/710837557.db2.gz QRJHUPSYJHIIRJ-HZPDHXFCSA-N 1 1 320.433 1.740 20 10 DDCDMO COc1cc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(O)cc1C ZINC000902644841 710837559 /nfs/dbraw/zinc/83/75/59/710837559.db2.gz QRJHUPSYJHIIRJ-HZPDHXFCSA-N 1 1 320.433 1.740 20 10 DDCDMO COc1cc(C)cc(C[NH+]2CCN([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000894003371 710920097 /nfs/dbraw/zinc/92/00/97/710920097.db2.gz WDBDAFRITLSJHK-HZPDHXFCSA-N 1 1 320.433 1.740 20 10 DDCDMO C[N@@H+](CCO[C@@H]1CCOC1)Cc1ccc(N2CCOCC2)cc1 ZINC000929185625 713563062 /nfs/dbraw/zinc/56/30/62/713563062.db2.gz PQNZTRHYOMBVMY-GOSISDBHSA-N 1 1 320.433 1.761 20 10 DDCDMO COCC(COC)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000929185844 713563179 /nfs/dbraw/zinc/56/31/79/713563179.db2.gz SWQRLWJHCBLQDI-UHFFFAOYSA-N 1 1 308.422 1.616 20 10 DDCDMO COc1ccc(N2CC[NH+](CCc3nnc(C)o3)CC2)cc1F ZINC000929823159 713697887 /nfs/dbraw/zinc/69/78/87/713697887.db2.gz SBYYRUQXDWSSIT-UHFFFAOYSA-N 1 1 320.368 1.890 20 10 DDCDMO C[NH+]1CCN(c2ccc(CNc3cnc(CN)nc3)cc2)CC1 ZINC001167434141 733479212 /nfs/dbraw/zinc/47/92/12/733479212.db2.gz DPLGYIWKEMHWEU-UHFFFAOYSA-N 1 1 312.421 1.299 20 10 DDCDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CC=C(C)C)C2)cc(OC)n1 ZINC001015105876 756125821 /nfs/dbraw/zinc/12/58/21/756125821.db2.gz YCTVEMRZRQRGGW-CQSZACIVSA-N 1 1 319.405 1.869 20 10 DDCDMO CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144510402 772557134 /nfs/dbraw/zinc/55/71/34/772557134.db2.gz YFSILOPQAMZZLD-SUMWQHHRSA-N 1 1 323.389 1.963 20 10 DDCDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116449207 780509567 /nfs/dbraw/zinc/50/95/67/780509567.db2.gz ICGKFZIVDCVHBO-INIZCTEOSA-N 1 1 323.462 1.410 20 10 DDCDMO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC001116811753 780563059 /nfs/dbraw/zinc/56/30/59/780563059.db2.gz NILYMYWJGAKPGY-WDEREUQCSA-N 1 1 324.333 1.740 20 10 DDCDMO CC(C)CN1C[C@@H]2C[N@H+](Cc3ccc(N)cc3)CCN2C1=O ZINC001120371010 781901441 /nfs/dbraw/zinc/90/14/41/781901441.db2.gz MONRLNMKQCCZRE-INIZCTEOSA-N 1 1 302.422 1.847 20 10 DDCDMO CC(C)CN1C[C@@H]2C[N@@H+](Cc3ccc(N)cc3)CCN2C1=O ZINC001120371010 781901444 /nfs/dbraw/zinc/90/14/44/781901444.db2.gz MONRLNMKQCCZRE-INIZCTEOSA-N 1 1 302.422 1.847 20 10 DDCDMO Oc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C2CCCC2)cc1O ZINC001275821126 853813955 /nfs/dbraw/zinc/81/39/55/853813955.db2.gz JIPFSVJTLUUWNE-QAPCUYQASA-N 1 1 318.417 1.925 20 10 DDCDMO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC001140063279 860567423 /nfs/dbraw/zinc/56/74/23/860567423.db2.gz PUBBNBAXTZUGIE-RDJZCZTQSA-N 1 1 322.380 1.743 20 10 DDCDMO OC[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C[C@H]1O ZINC001140098624 860574749 /nfs/dbraw/zinc/57/47/49/860574749.db2.gz IINSCOKWMXRLED-NOZJJQNGSA-N 1 1 316.195 1.330 20 10 DDCDMO C[N@@H+]1C[C@H]2CN(Cc3ccc(N4CCOCC4)cc3F)C[C@H]2C1 ZINC001140664071 860670955 /nfs/dbraw/zinc/67/09/55/860670955.db2.gz XKSDRXBFMRZJRH-IYBDPMFKSA-N 1 1 319.424 1.656 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c(O)c1 ZINC001140851058 860712796 /nfs/dbraw/zinc/71/27/96/860712796.db2.gz ZIBATKZMKYDYMM-YOEHRIQHSA-N 1 1 308.422 1.414 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CCCN(C)C(=O)C2)c(O)c1 ZINC001140854926 860712956 /nfs/dbraw/zinc/71/29/56/860712956.db2.gz GWCIEPMLFCPCQY-UHFFFAOYSA-N 1 1 305.422 1.903 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](NC(C)=O)C2)c(O)c1 ZINC001140857009 860714157 /nfs/dbraw/zinc/71/41/57/860714157.db2.gz LDDXRACIBHPKBH-HNNXBMFYSA-N 1 1 305.422 1.949 20 10 DDCDMO Cc1ccc(C[N@H+]2CCOC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001140948030 860744709 /nfs/dbraw/zinc/74/47/09/860744709.db2.gz QDLSITITFCWZPT-ZDUSSCGKSA-N 1 1 305.296 1.826 20 10 DDCDMO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccc(C)cc3O)C[C@H]21 ZINC001140952452 860745342 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C[C@@H](CNC(=O)NCc1ccccc1O)CN1CC[NH+](C)CC1 ZINC000745789856 699994040 /nfs/dbraw/zinc/99/40/40/699994040.db2.gz REXTZYRRLNGFSQ-AWEZNQCLSA-N 1 1 320.437 1.075 20 10 DDCDMO COc1ccc2ccc(O)c(C[N@H+]3CCNC(=O)CC3)c2c1 ZINC000044781353 696168316 /nfs/dbraw/zinc/16/83/16/696168316.db2.gz XEUMZDNBWQWOQE-UHFFFAOYSA-N 1 1 300.358 1.876 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)c2csc(C[NH3+])n2)cc1 ZINC000090930855 696583807 /nfs/dbraw/zinc/58/38/07/696583807.db2.gz KAHFACPGNARBBX-UHFFFAOYSA-N 1 1 304.419 1.940 20 10 DDCDMO C[C@H](O)C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C)CO ZINC000191218560 697602945 /nfs/dbraw/zinc/60/29/45/697602945.db2.gz QVEIPZFKFLHFAJ-GJZGRUSLSA-N 1 1 308.422 1.087 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CCOCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000775053692 697957852 /nfs/dbraw/zinc/95/78/52/697957852.db2.gz ISKKMPUWIDUNGB-UHFFFAOYSA-N 1 1 308.334 1.921 20 10 DDCDMO COc1c(O)c(C[N@H+]2CCOCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000775053692 697957853 /nfs/dbraw/zinc/95/78/53/697957853.db2.gz 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C[C@@H](NC(=O)NCc1c(O)cccc1F)C1=CC[N@@H+](C)CC1 ZINC000921881418 713895690 /nfs/dbraw/zinc/89/56/90/713895690.db2.gz PZLILROQDSJMBR-LLVKDONJSA-N 1 1 307.369 1.981 20 10 DDCDMO CC(=O)C(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000923847969 714479555 /nfs/dbraw/zinc/47/95/55/714479555.db2.gz ULKRXYGPDKXAQI-SWLSCSKDSA-N 1 1 303.358 1.456 20 10 DDCDMO CO[C@H]1CC[C@H]1[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000934119530 714746950 /nfs/dbraw/zinc/74/69/50/714746950.db2.gz PULFLMDITLQRFO-CVEARBPZSA-N 1 1 305.422 1.478 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c1 ZINC001203669398 744624795 /nfs/dbraw/zinc/62/47/95/744624795.db2.gz ARNVZDRJZXPZOE-CYBMUJFWSA-N 1 1 321.295 1.526 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c1 ZINC001203669398 744624798 /nfs/dbraw/zinc/62/47/98/744624798.db2.gz ARNVZDRJZXPZOE-CYBMUJFWSA-N 1 1 321.295 1.526 20 10 DDCDMO COCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039058827 761698659 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C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1O ZINC000273611426 408265106 /nfs/dbraw/zinc/26/51/06/408265106.db2.gz WANHEFBEDFWSRC-PWSUYJOCSA-N 1 1 316.398 1.606 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000263866133 408292478 /nfs/dbraw/zinc/29/24/78/408292478.db2.gz KQYHYTDBVQMXFW-OAHLLOKOSA-N 1 1 305.422 1.073 20 10 DDCDMO COc1c(O)c(C[NH2+][C@H](C)Cn2cncn2)ccc1[N+](=O)[O-] ZINC000278887900 409106783 /nfs/dbraw/zinc/10/67/83/409106783.db2.gz PBIKNDUIVWTONP-SECBINFHSA-N 1 1 307.310 1.079 20 10 DDCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1 ZINC000279339476 409195234 /nfs/dbraw/zinc/19/52/34/409195234.db2.gz DXXWPKRAWINKTP-AWEZNQCLSA-N 1 1 308.422 1.943 20 10 DDCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1F ZINC000279508846 409228053 /nfs/dbraw/zinc/22/80/53/409228053.db2.gz WXWPNSXAGXLQCF-INIZCTEOSA-N 1 1 320.368 1.066 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1F ZINC000279508846 409228055 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CN1CCN([C@@H]2CCCC[N@@H+](Cc3ccccc3O)C2)CC1 ZINC000377691037 418713333 /nfs/dbraw/zinc/71/33/33/418713333.db2.gz HDYMAONVQNTRIR-QGZVFWFLSA-N 1 1 303.450 1.994 20 10 DDCDMO Cc1cccc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1O ZINC000370162772 418741222 /nfs/dbraw/zinc/74/12/22/418741222.db2.gz PISUROMWZYUEAQ-UHFFFAOYSA-N 1 1 324.446 1.701 20 10 DDCDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(OC)ccc1O ZINC000372280633 418851073 /nfs/dbraw/zinc/85/10/73/418851073.db2.gz FMOLOLLQUKKFKH-DZGCQCFKSA-N 1 1 323.389 1.943 20 10 DDCDMO C[C@H](CNC(=O)NCc1ccccc1O)C[NH+]1CCOCC1 ZINC000265713173 524418828 /nfs/dbraw/zinc/41/88/28/524418828.db2.gz DAXHJRUVKGAPSC-CYBMUJFWSA-N 1 1 307.394 1.160 20 10 DDCDMO CC[N@H+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000298611882 535660663 /nfs/dbraw/zinc/66/06/63/535660663.db2.gz UADVCDSGEHUHPA-OAHLLOKOSA-N 1 1 318.465 1.395 20 10 DDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C(=O)[O-] ZINC000833629008 605247002 /nfs/dbraw/zinc/24/70/02/605247002.db2.gz DELLMHXGALLOCT-RHSMWYFYSA-N 1 1 317.433 1.591 20 10 DDCDMO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)Cc2ccccc2O)o1 ZINC000109773732 696638148 /nfs/dbraw/zinc/63/81/48/696638148.db2.gz YANTVPKAXXIYHM-UHFFFAOYSA-N 1 1 324.402 1.868 20 10 DDCDMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)Cc2ccccc2O)o1 ZINC000109773732 696638149 /nfs/dbraw/zinc/63/81/49/696638149.db2.gz YANTVPKAXXIYHM-UHFFFAOYSA-N 1 1 324.402 1.868 20 10 DDCDMO Oc1c(Br)cccc1C[NH2+]CC1(O)CCOCC1 ZINC000112717365 696652340 /nfs/dbraw/zinc/65/23/40/696652340.db2.gz ZHCSGSLXEGZXRW-UHFFFAOYSA-N 1 1 316.195 1.786 20 10 DDCDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000131094164 696804186 /nfs/dbraw/zinc/80/41/86/696804186.db2.gz ZKDZMVDUOGNFGZ-QKKBWIMNSA-N 1 1 310.463 1.722 20 10 DDCDMO OCCO[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000179574339 697439416 /nfs/dbraw/zinc/43/94/16/697439416.db2.gz XONZKAGMKKIPHN-SFHVURJKSA-N 1 1 320.433 1.497 20 10 DDCDMO COC[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000188381449 697558099 /nfs/dbraw/zinc/55/80/99/697558099.db2.gz REWPXNGSRPPYGF-MAUKXSAKSA-N 1 1 320.433 1.759 20 10 DDCDMO CC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCNC1=O ZINC000799737874 700163773 /nfs/dbraw/zinc/16/37/73/700163773.db2.gz PDNVVSNVJIMKOQ-MRXNPFEDSA-N 1 1 321.396 1.373 20 10 DDCDMO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](CO)O1 ZINC000191520179 697609565 /nfs/dbraw/zinc/60/95/65/697609565.db2.gz LBFCCBVSKBPPAF-WMLDXEAASA-N 1 1 306.406 1.105 20 10 DDCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](CO)O1 ZINC000191520179 697609566 /nfs/dbraw/zinc/60/95/66/697609566.db2.gz LBFCCBVSKBPPAF-WMLDXEAASA-N 1 1 306.406 1.105 20 10 DDCDMO CC(C)Oc1ccc(N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000191599757 697610814 /nfs/dbraw/zinc/61/08/14/697610814.db2.gz ZSVIKDROQKDGHA-INIZCTEOSA-N 1 1 308.422 1.603 20 10 DDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC)C(C)C)cc2=O ZINC000195527217 697746885 /nfs/dbraw/zinc/74/68/85/697746885.db2.gz FNRUVXWWUWCKHC-UHFFFAOYSA-N 1 1 306.366 1.842 20 10 DDCDMO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cccc(Br)c1O ZINC000227974404 697772500 /nfs/dbraw/zinc/77/25/00/697772500.db2.gz MFZNYSVKNYVOMW-NOZJJQNGSA-N 1 1 316.195 1.784 20 10 DDCDMO [NH3+]Cc1nc(C(=O)NCCCSc2nccs2)cs1 ZINC000237928246 697814141 /nfs/dbraw/zinc/81/41/41/697814141.db2.gz QLCGFVMUDSRSTH-UHFFFAOYSA-N 1 1 314.461 1.971 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H](CO)CC(F)F)ccc1[N+](=O)[O-] ZINC000775118258 697964329 /nfs/dbraw/zinc/96/43/29/697964329.db2.gz MDWFLRCBSKVARG-MRVPVSSYSA-N 1 1 306.265 1.415 20 10 DDCDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000779030068 698391485 /nfs/dbraw/zinc/39/14/85/698391485.db2.gz LCBFQLDCUIUCMU-LBPRGKRZSA-N 1 1 302.371 1.045 20 10 DDCDMO C[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)c2c1c(F)ccc2O ZINC000790739736 699595208 /nfs/dbraw/zinc/59/52/08/699595208.db2.gz SOJVEKWYLHNITH-GXSJLCMTSA-N 1 1 318.352 1.991 20 10 DDCDMO CCC[N@@H+](CC)CCNC(=O)NCc1ccc(OC)cc1O ZINC000792989701 699726717 /nfs/dbraw/zinc/72/67/17/699726717.db2.gz JHBVIXIFFGBPCD-UHFFFAOYSA-N 1 1 309.410 1.932 20 10 DDCDMO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000795706668 699885416 /nfs/dbraw/zinc/88/54/16/699885416.db2.gz LVDTVQASWGGDDG-IFIJOSMWSA-N 1 1 318.417 1.877 20 10 DDCDMO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000795706668 699885418 /nfs/dbraw/zinc/88/54/18/699885418.db2.gz LVDTVQASWGGDDG-IFIJOSMWSA-N 1 1 318.417 1.877 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1 ZINC000756570674 700629717 /nfs/dbraw/zinc/62/97/17/700629717.db2.gz XGITYDMDFKLDPF-OCCSQVGLSA-N 1 1 321.421 1.075 20 10 DDCDMO O=C(/C=C\c1ccc(O)c(O)c1)OCCC[NH+]1CCOCC1 ZINC000759590937 700761266 /nfs/dbraw/zinc/76/12/66/700761266.db2.gz BLTHMEDQTCLOJX-HYXAFXHYSA-N 1 1 307.346 1.377 20 10 DDCDMO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000761104927 700843905 /nfs/dbraw/zinc/84/39/05/700843905.db2.gz JWHZRVZHNULXIC-XJKSGUPXSA-N 1 1 305.422 1.166 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1C1OCCO1)[C@@H](O)CO2 ZINC000768445018 701177527 /nfs/dbraw/zinc/17/75/27/701177527.db2.gz DKOVGFKVQCSVCK-HIFRSBDPSA-N 1 1 321.373 1.545 20 10 DDCDMO CC(=O)C(=O)COC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000808520155 701521488 /nfs/dbraw/zinc/52/14/88/701521488.db2.gz MUMUVBOYHQJWTH-UHFFFAOYSA-N 1 1 303.358 1.600 20 10 DDCDMO COC(=O)[C@@](C)(O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000808711262 701532358 /nfs/dbraw/zinc/53/23/58/701532358.db2.gz ZKTVYNDASGVMTE-KRWDZBQOSA-N 1 1 306.406 1.641 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C)N(CCO)C[C@H]1C ZINC000841891638 702608129 /nfs/dbraw/zinc/60/81/29/702608129.db2.gz NPDDHANBKIBQKQ-JKSUJKDBSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(N(C)C)ccc1CN1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000841891638 702608131 /nfs/dbraw/zinc/60/81/31/702608131.db2.gz NPDDHANBKIBQKQ-JKSUJKDBSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(N(C)C)ccc1CN1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000841891638 702608134 /nfs/dbraw/zinc/60/81/34/702608134.db2.gz NPDDHANBKIBQKQ-JKSUJKDBSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](CO)[C@@H](C)O)c1 ZINC000842225201 702684596 /nfs/dbraw/zinc/68/45/96/702684596.db2.gz LIRBAKKEZYJZAX-LDYMZIIASA-N 1 1 304.184 1.294 20 10 DDCDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000843433927 702880821 /nfs/dbraw/zinc/88/08/21/702880821.db2.gz MZMMDZWGUPYUCI-CABCVRRESA-N 1 1 315.369 1.901 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)CCN2CCNC2=O)cc1 ZINC000844401150 703026378 /nfs/dbraw/zinc/02/63/78/703026378.db2.gz IGOHAPDYHCJHKZ-UHFFFAOYSA-N 1 1 306.410 1.088 20 10 DDCDMO CO[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000831527162 706725177 /nfs/dbraw/zinc/72/51/77/706725177.db2.gz CMPUFWXJOPGHRZ-WMLDXEAASA-N 1 1 319.449 1.726 20 10 DDCDMO COc1ccc(N(C)CCN(C)C(=O)CC(F)(F)C[NH3+])cc1 ZINC000846697496 703319508 /nfs/dbraw/zinc/31/95/08/703319508.db2.gz REQZINXJQXCJQY-UHFFFAOYSA-N 1 1 315.364 1.574 20 10 DDCDMO CNC(=O)CCC[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000846777872 703330100 /nfs/dbraw/zinc/33/01/00/703330100.db2.gz PKARYRKGBDMEQI-UHFFFAOYSA-N 1 1 305.422 1.734 20 10 DDCDMO CCc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1O ZINC000848880558 703597362 /nfs/dbraw/zinc/59/73/62/703597362.db2.gz QDNKHKMPQPSIDE-INIZCTEOSA-N 1 1 318.417 1.778 20 10 DDCDMO CCc1cccc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1O ZINC000848885548 703598068 /nfs/dbraw/zinc/59/80/68/703598068.db2.gz UPICUXIFQBPJHK-LBPRGKRZSA-N 1 1 312.435 1.455 20 10 DDCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1O ZINC000879693628 706762103 /nfs/dbraw/zinc/76/21/03/706762103.db2.gz HASJHPBWIKHFRA-TXEJJXNPSA-N 1 1 313.781 1.281 20 10 DDCDMO CCC[N@H+](Cc1ccccc1O)[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000851791781 703856959 /nfs/dbraw/zinc/85/69/59/703856959.db2.gz GSPYMGQCQBFJPN-HIFRSBDPSA-N 1 1 313.419 1.416 20 10 DDCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000851791781 703856961 /nfs/dbraw/zinc/85/69/61/703856961.db2.gz GSPYMGQCQBFJPN-HIFRSBDPSA-N 1 1 313.419 1.416 20 10 DDCDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000853594129 704279870 /nfs/dbraw/zinc/27/98/70/704279870.db2.gz OUJDTEHBTOOCIN-GFCCVEGCSA-N 1 1 318.373 1.565 20 10 DDCDMO COCC[N@@H+]1CC[C@@H](NCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858131191 704669044 /nfs/dbraw/zinc/66/90/44/704669044.db2.gz MXVUKBSFEUTQEG-CYBMUJFWSA-N 1 1 313.392 1.841 20 10 DDCDMO COCC[N@H+]1CC[C@@H](NCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858131191 704669046 /nfs/dbraw/zinc/66/90/46/704669046.db2.gz MXVUKBSFEUTQEG-CYBMUJFWSA-N 1 1 313.392 1.841 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]C[C@H](O)[C@@H]3CCCO3)cc2)CC1 ZINC000858226973 704681806 /nfs/dbraw/zinc/68/18/06/704681806.db2.gz RTBLXZAKAIUQKH-ROUUACIJSA-N 1 1 319.449 1.068 20 10 DDCDMO COC(=O)Cn1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)nn1 ZINC000823846867 705328068 /nfs/dbraw/zinc/32/80/68/705328068.db2.gz JVESNQFQHJODKX-UHFFFAOYSA-N 1 1 317.393 1.115 20 10 DDCDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875264885 705334997 /nfs/dbraw/zinc/33/49/97/705334997.db2.gz BFNLGICXIFHBHA-CQSZACIVSA-N 1 1 319.405 1.528 20 10 DDCDMO C[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)N1CCN(C)CC1 ZINC000835037696 707161057 /nfs/dbraw/zinc/16/10/57/707161057.db2.gz LHXMNAWEQCHXBU-KEGWNNHHSA-N 1 1 316.493 1.991 20 10 DDCDMO O=C(C1=CC(=O)CS1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000861986261 705625814 /nfs/dbraw/zinc/62/58/14/705625814.db2.gz KQHSGRYNNWSLFP-UHFFFAOYSA-N 1 1 310.419 1.781 20 10 DDCDMO O=[N+]([O-])c1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)ccc1N1CCCCC1 ZINC000862446408 705718444 /nfs/dbraw/zinc/71/84/44/705718444.db2.gz ZMQKFBRKFZJRLF-HOTGVXAUSA-N 1 1 321.377 1.123 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000862530073 705726907 /nfs/dbraw/zinc/72/69/07/705726907.db2.gz URVBXVQCOFKGQE-AAEUAGOBSA-N 1 1 308.334 1.966 20 10 DDCDMO O=C1OC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]12 ZINC000862545200 705729816 /nfs/dbraw/zinc/72/98/16/705729816.db2.gz KGAFUPGKFGRDNR-ZIAGYGMSSA-N 1 1 320.364 1.267 20 10 DDCDMO NC(=O)C[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000863326424 705902441 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Cc1cc(N(C)C)ccc1CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900731179 709733114 /nfs/dbraw/zinc/73/31/14/709733114.db2.gz COQWNBJVWPAPAI-GOSISDBHSA-N 1 1 319.449 1.524 20 10 DDCDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892154485 710382557 /nfs/dbraw/zinc/38/25/57/710382557.db2.gz ZMHSLRLNJNAYAS-MRXNPFEDSA-N 1 1 309.362 1.794 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1F ZINC000895327159 711485221 /nfs/dbraw/zinc/48/52/21/711485221.db2.gz APONLRWMALHVFC-YOEHRIQHSA-N 1 1 310.413 1.990 20 10 DDCDMO CCOC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000895619927 711561474 /nfs/dbraw/zinc/56/14/74/711561474.db2.gz OGGAYIBFIUQURT-ZDUSSCGKSA-N 1 1 311.378 1.647 20 10 DDCDMO CCOC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000895619927 711561476 /nfs/dbraw/zinc/56/14/76/711561476.db2.gz OGGAYIBFIUQURT-ZDUSSCGKSA-N 1 1 311.378 1.647 20 10 DDCDMO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000895689127 711578421 /nfs/dbraw/zinc/57/84/21/711578421.db2.gz 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DDCDMO [NH3+][C@@]12C[C@@H]1CN(Cc1cc(F)cc(Br)c1O)C2 ZINC001236023756 846520593 /nfs/dbraw/zinc/52/05/93/846520593.db2.gz HQVUGUOYYFIEPI-PRHODGIISA-N 1 1 301.159 1.827 20 10 DDCDMO COc1cccc(CNC(=O)c2ccc(C[NH+](C)C)o2)c1O ZINC001150543992 862306100 /nfs/dbraw/zinc/30/61/00/862306100.db2.gz WNYCQIFBBUOAJE-UHFFFAOYSA-N 1 1 304.346 1.985 20 10 DDCDMO CN1CC[C@]2(CC[N@@H+](Cc3cc(Cl)c(O)cc3O)C2)C1=O ZINC001274528383 852364846 /nfs/dbraw/zinc/36/48/46/852364846.db2.gz IGJBAKROTPGXCJ-OAHLLOKOSA-N 1 1 310.781 1.805 20 10 DDCDMO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(OC)cc1O ZINC001275275616 852944445 /nfs/dbraw/zinc/94/44/45/852944445.db2.gz NJNPITLUOKGEIZ-GASCZTMLSA-N 1 1 322.405 1.280 20 10 DDCDMO COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(OC)cc1O ZINC001275275616 852944449 /nfs/dbraw/zinc/94/44/49/852944449.db2.gz NJNPITLUOKGEIZ-GASCZTMLSA-N 1 1 322.405 1.280 20 10 DDCDMO C[NH+](C)CCN1CCC12C[NH+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001275362244 853019505 /nfs/dbraw/zinc/01/95/05/853019505.db2.gz 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860073352 /nfs/dbraw/zinc/07/33/52/860073352.db2.gz DTVJBGBLSUDMGD-KRWDZBQOSA-N 1 1 317.433 1.358 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1ccc2c(c1)CCCN2C ZINC001138358932 860073359 /nfs/dbraw/zinc/07/33/59/860073359.db2.gz DTVJBGBLSUDMGD-KRWDZBQOSA-N 1 1 317.433 1.358 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c(OC)c1 ZINC001138386155 860082184 /nfs/dbraw/zinc/08/21/84/860082184.db2.gz HVERGRZQCXSKRP-ZBFHGGJFSA-N 1 1 308.422 1.326 20 10 DDCDMO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001138468793 860111292 /nfs/dbraw/zinc/11/12/92/860111292.db2.gz DGOORXQODDQIIS-UHFFFAOYSA-N 1 1 302.378 1.894 20 10 DDCDMO COc1ccc(N2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)c(OC)c1 ZINC001276993862 881520483 /nfs/dbraw/zinc/52/04/83/881520483.db2.gz GLLPJOYLNFQPKU-WMLDXEAASA-N 1 1 319.449 1.776 20 10 DDCDMO COc1ccc(N2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c(OC)c1 ZINC001276993862 881520494 /nfs/dbraw/zinc/52/04/94/881520494.db2.gz GLLPJOYLNFQPKU-WMLDXEAASA-N 1 1 319.449 1.776 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCC[C@H]43)cc2)CC1 ZINC001139407974 860390014 /nfs/dbraw/zinc/39/00/14/860390014.db2.gz HYUMMNZSHHGUOC-QZTJIDSGSA-N 1 1 301.434 1.802 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@H]4OCC[C@H]43)cc2)CC1 ZINC001139407974 860390021 /nfs/dbraw/zinc/39/00/21/860390021.db2.gz HYUMMNZSHHGUOC-QZTJIDSGSA-N 1 1 301.434 1.802 20 10 DDCDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140282888 860611821 /nfs/dbraw/zinc/61/18/21/860611821.db2.gz JHIPEORJTYPYFM-YOEHRIQHSA-N 1 1 304.434 1.993 20 10 DDCDMO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CN(C)C)C2)c(O)c1 ZINC001140954239 860746074 /nfs/dbraw/zinc/74/60/74/860746074.db2.gz NSOVNHDRMIPNOP-OAHLLOKOSA-N 1 1 305.422 1.343 20 10 DDCDMO CN1CCN(c2ccc(CNC(=O)[C@H]([NH3+])C3CCC3)cc2)CC1 ZINC001332068236 865548766 /nfs/dbraw/zinc/54/87/66/865548766.db2.gz IOJSXDKUEAVJIJ-QGZVFWFLSA-N 1 1 316.449 1.182 20 10 DDCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[C@@H]1O ZINC001321504960 867635648 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COCC[N@H+](Cc1cc(O)c(O)c(OC)c1)C1CCN(C)CC1 ZINC001204344177 871065251 /nfs/dbraw/zinc/06/52/51/871065251.db2.gz ZVOWLVXBCXVVGV-UHFFFAOYSA-N 1 1 324.421 1.649 20 10 DDCDMO COCC[N@@H+](Cc1cc(O)c(O)c(OC)c1)C1CCN(C)CC1 ZINC001204344177 871065272 /nfs/dbraw/zinc/06/52/72/871065272.db2.gz ZVOWLVXBCXVVGV-UHFFFAOYSA-N 1 1 324.421 1.649 20 10 DDCDMO COc1cc(C[N@H+]2CCCC[C@@]23CC(=O)N(C)C3)cc(O)c1O ZINC001204348209 871069148 /nfs/dbraw/zinc/06/91/48/871069148.db2.gz LIVABMGEVZQHNQ-KRWDZBQOSA-N 1 1 320.389 1.693 20 10 DDCDMO COc1cc(C)c(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(O)c1 ZINC001308855586 871534219 /nfs/dbraw/zinc/53/42/19/871534219.db2.gz QOTKVJILPBDUHI-SWLSCSKDSA-N 1 1 304.390 1.810 20 10 DDCDMO COc1cc(O)c(CN2CCCC[C@@](O)(C[NH3+])C2)cc1OC ZINC001205725790 871754020 /nfs/dbraw/zinc/75/40/20/871754020.db2.gz LIACSXUBDVPCHO-MRXNPFEDSA-N 1 1 310.394 1.085 20 10 DDCDMO COc1cccc([C@@H](C)[NH2+]Cc2nnc3n2CCOC3)c1O ZINC001346207595 873648083 /nfs/dbraw/zinc/64/80/83/873648083.db2.gz LDYRDARRFRRUBU-SNVBAGLBSA-N 1 1 304.350 1.373 20 10 DDCDMO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1cc(Cl)c(C)cc1O ZINC001231872062 885915724 /nfs/dbraw/zinc/91/57/24/885915724.db2.gz VNNMXSLHGYLPQI-ZDUSSCGKSA-N 1 1 312.797 1.643 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1cc(Cl)c(C)cc1O ZINC001231872062 885915729 /nfs/dbraw/zinc/91/57/29/885915729.db2.gz VNNMXSLHGYLPQI-ZDUSSCGKSA-N 1 1 312.797 1.643 20 10 DDCDMO CN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001277653214 886277690 /nfs/dbraw/zinc/27/76/90/886277690.db2.gz OEXCJSRHGPLXBG-RDTXWAMCSA-N 1 1 315.417 1.425 20 10 DDCDMO COc1ccc2ccc(O)c(C[N@H+]3CCOC[C@H](O)C3)c2c1 ZINC001234525947 888054418 /nfs/dbraw/zinc/05/44/18/888054418.db2.gz NUZDMVKLMABVNF-CYBMUJFWSA-N 1 1 303.358 1.747 20 10 DDCDMO COc1ccc2ccc(O)c(C[N@@H+]3CCNC(=O)[C@@H]3C)c2c1 ZINC001234552798 888087707 /nfs/dbraw/zinc/08/77/07/888087707.db2.gz ISXXKVTWTRQIHK-NSHDSACASA-N 1 1 300.358 1.874 20 10 DDCDMO COc1ccc2ccc(O)c(C[N@H+]3CCNC(=O)[C@@H]3C)c2c1 ZINC001234552798 888087718 /nfs/dbraw/zinc/08/77/18/888087718.db2.gz ISXXKVTWTRQIHK-NSHDSACASA-N 1 1 300.358 1.874 20 10 DDCDMO COc1ccc(CN2CCO[C@H](C[NH+](C)C)C2)c(O)c1Cl ZINC001236801981 889365610 /nfs/dbraw/zinc/36/56/10/889365610.db2.gz MCPOMLSGYPLDGC-GFCCVEGCSA-N 1 1 314.813 1.817 20 10 DDCDMO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236940311 889435524 /nfs/dbraw/zinc/43/55/24/889435524.db2.gz ZLFMXYGILXHQDM-WMLDXEAASA-N 1 1 321.440 1.923 20 10 DDCDMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236940311 889435530 /nfs/dbraw/zinc/43/55/30/889435530.db2.gz ZLFMXYGILXHQDM-WMLDXEAASA-N 1 1 321.440 1.923 20 10 DDCDMO CCOc1ccc(C[N@@H+]2CCN(C)[C@H](C(=O)OC)C2)c(O)c1 ZINC001237046382 889478185 /nfs/dbraw/zinc/47/81/85/889478185.db2.gz MXUUMWZDHMRDAT-AWEZNQCLSA-N 1 1 308.378 1.080 20 10 DDCDMO CCOc1ccc(C[N@H+]2CCN(C)[C@H](C(=O)OC)C2)c(O)c1 ZINC001237046382 889478187 /nfs/dbraw/zinc/47/81/87/889478187.db2.gz MXUUMWZDHMRDAT-AWEZNQCLSA-N 1 1 308.378 1.080 20 10 DDCDMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)c(O)c(OC)c1 ZINC001237677288 889800337 /nfs/dbraw/zinc/80/03/37/889800337.db2.gz ZGDGRTOAKLSWNK-GFCCVEGCSA-N 1 1 322.405 1.710 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](O)[C@@H](C)C2)c(O)c1 ZINC001249171207 893851413 /nfs/dbraw/zinc/85/14/13/893851413.db2.gz ALDZAQNCHVMBHN-WFASDCNBSA-N 1 1 307.390 1.701 20 10 DDCDMO COC(=O)Cc1ccc(C[N@@H+](C)[C@H](C(=O)OC)C(C)C)c(O)c1 ZINC001249215295 893871620 /nfs/dbraw/zinc/87/16/20/893871620.db2.gz ZQRBJSRBGMJKGW-INIZCTEOSA-N 1 1 323.389 1.737 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CCc3c(cnn3C)C2)c(O)c1 ZINC001249214065 893872277 /nfs/dbraw/zinc/87/22/77/893872277.db2.gz FCJIORDUCKNSRN-UHFFFAOYSA-N 1 1 315.373 1.400 20 10 DDCDMO CCOC[C@@H](O)C[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001252049175 894982838 /nfs/dbraw/zinc/98/28/38/894982838.db2.gz NUVNKFMFFUPVJV-INIZCTEOSA-N 1 1 308.422 1.344 20 10 DDCDMO C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1O ZINC000109773046 282351220 /nfs/dbraw/zinc/35/12/20/282351220.db2.gz 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130131075 /nfs/dbraw/zinc/13/10/75/130131075.db2.gz RVIKWHINOSQJHM-ZYHUDNBSSA-N 1 1 318.373 1.593 20 10 DDCDMO CC(C)NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016387053 406882606 /nfs/dbraw/zinc/88/26/06/406882606.db2.gz VCAMLPAYNBQNGV-UHFFFAOYSA-N 1 1 305.422 1.480 20 10 DDCDMO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016387053 406882608 /nfs/dbraw/zinc/88/26/08/406882608.db2.gz VCAMLPAYNBQNGV-UHFFFAOYSA-N 1 1 305.422 1.480 20 10 DDCDMO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)cc1O ZINC000186166601 407593399 /nfs/dbraw/zinc/59/33/99/407593399.db2.gz YFEOQBHCHMBKIU-WDEREUQCSA-N 1 1 316.398 1.463 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1OC ZINC000179637318 407814806 /nfs/dbraw/zinc/81/48/06/407814806.db2.gz XLXZKWQOBPHFFI-LBPRGKRZSA-N 1 1 308.378 1.462 20 10 DDCDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cccc(O)c1O ZINC000187201441 407831294 /nfs/dbraw/zinc/83/12/94/407831294.db2.gz PSQBUBUCSQGBAH-UHFFFAOYSA-N 1 1 322.405 1.528 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000278202639 409077573 /nfs/dbraw/zinc/07/75/73/409077573.db2.gz JEPHYZYGCCGGHH-JTQLQIEISA-N 1 1 309.322 1.006 20 10 DDCDMO COc1c(O)c(C[N@H+]2CCC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000278202639 409077577 /nfs/dbraw/zinc/07/75/77/409077577.db2.gz JEPHYZYGCCGGHH-JTQLQIEISA-N 1 1 309.322 1.006 20 10 DDCDMO CCOC(=O)[C@H](F)C1C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000294076639 409236187 /nfs/dbraw/zinc/23/61/87/409236187.db2.gz YTUPGUKJCZSSSM-CQSZACIVSA-N 1 1 311.309 1.454 20 10 DDCDMO COc1cc(O)c(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cc1OC ZINC000295203591 409373462 /nfs/dbraw/zinc/37/34/62/409373462.db2.gz YZJXCRDUVUIKAC-DYVFJYSZSA-N 1 1 322.405 1.314 20 10 DDCDMO Cc1ccc(O)c(C[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000367432123 418599354 /nfs/dbraw/zinc/59/93/54/418599354.db2.gz PESHCYGXYQHOMG-QGZVFWFLSA-N 1 1 318.417 1.914 20 10 DDCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000266183836 222360200 /nfs/dbraw/zinc/36/02/00/222360200.db2.gz VMYQIHHJVJUSEF-KRWDZBQOSA-N 1 1 319.449 1.820 20 10 DDCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000266183836 222360204 /nfs/dbraw/zinc/36/02/04/222360204.db2.gz VMYQIHHJVJUSEF-KRWDZBQOSA-N 1 1 319.449 1.820 20 10 DDCDMO COc1ccc(O)c([C@H](C)[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1 ZINC000377700490 418712983 /nfs/dbraw/zinc/71/29/83/418712983.db2.gz NGBKRDDXKTVKMZ-ZIBATOQPSA-N 1 1 311.403 1.581 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1 ZINC000377694898 418713040 /nfs/dbraw/zinc/71/30/40/418713040.db2.gz LTAPEUFYIUGPNI-LBPRGKRZSA-N 1 1 314.389 2.153 20 10 DDCDMO CC[C@H](c1ccccc1O)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000368051960 418679849 /nfs/dbraw/zinc/67/98/49/418679849.db2.gz RHMMVXDAFDKMIV-WBMJQRKESA-N 1 1 303.362 1.517 20 10 DDCDMO Cc1cc(Br)cc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1O ZINC000376297273 418695504 /nfs/dbraw/zinc/69/55/04/418695504.db2.gz YIUKFJHVVBTRJV-NEPJUHHUSA-N 1 1 316.195 1.391 20 10 DDCDMO COc1cccc(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)c1O ZINC000376724893 418699984 /nfs/dbraw/zinc/69/99/84/418699984.db2.gz VEASKVKHDPOPTO-AWEZNQCLSA-N 1 1 308.378 1.126 20 10 DDCDMO CCN(C)C(=O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000363395814 418765428 /nfs/dbraw/zinc/76/54/28/418765428.db2.gz NNVQDAZPAADRAU-UHFFFAOYSA-N 1 1 305.422 1.686 20 10 DDCDMO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000378540806 418724724 /nfs/dbraw/zinc/72/47/24/418724724.db2.gz KZQFCFZSWGAJMP-CNPQOGTOSA-N 1 1 302.374 1.854 20 10 DDCDMO COc1ccc(O)c([C@H](C)[NH+]2CC(n3cc([C@@H](C)O)nn3)C2)c1 ZINC000372595938 418886276 /nfs/dbraw/zinc/88/62/76/418886276.db2.gz CAZSACMSSNVMCY-WDEREUQCSA-N 1 1 318.377 1.664 20 10 DDCDMO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000372750703 418898726 /nfs/dbraw/zinc/89/87/26/418898726.db2.gz ZNYYOURYSNAYBC-LLVKDONJSA-N 1 1 304.799 1.299 20 10 DDCDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000372750703 418898727 /nfs/dbraw/zinc/89/87/27/418898727.db2.gz ZNYYOURYSNAYBC-LLVKDONJSA-N 1 1 304.799 1.299 20 10 DDCDMO CN1C(=O)NC2(CC[NH+](Cc3cccc(F)c3O)CC2)C1=O ZINC000289521732 277016718 /nfs/dbraw/zinc/01/67/18/277016718.db2.gz VKVZWHODPFSJSB-UHFFFAOYSA-N 1 1 307.325 1.048 20 10 DDCDMO COc1ccc(O)c(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)c1 ZINC000377925095 534201371 /nfs/dbraw/zinc/20/13/71/534201371.db2.gz ULIWMILACYJUGK-ZDUSSCGKSA-N 1 1 301.346 1.791 20 10 DDCDMO CCN(C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000264883104 520183769 /nfs/dbraw/zinc/18/37/69/520183769.db2.gz RJBHQRHSGFNXSI-UHFFFAOYSA-N 1 1 320.437 1.479 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000366029648 521875627 /nfs/dbraw/zinc/87/56/27/521875627.db2.gz WLQPAUHDYNDZLD-HNNXBMFYSA-N 1 1 321.333 1.021 20 10 DDCDMO COc1c(O)c(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000366029648 521875636 /nfs/dbraw/zinc/87/56/36/521875636.db2.gz WLQPAUHDYNDZLD-HNNXBMFYSA-N 1 1 321.333 1.021 20 10 DDCDMO COc1ccc(O)c(C[NH+]2CCN(c3nc(C)ns3)CC2)c1 ZINC000180448756 524743251 /nfs/dbraw/zinc/74/32/51/524743251.db2.gz DKPXTPHDVBQVTC-UHFFFAOYSA-N 1 1 320.418 1.883 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H]([C@@H]3CCCO3)C1)OCO2 ZINC000365997943 526336639 /nfs/dbraw/zinc/33/66/39/526336639.db2.gz ZQMAASHUANVGMX-BBRMVZONSA-N 1 1 307.346 1.501 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H]([C@@H]3CCCO3)C1)OCO2 ZINC000365997943 526336642 /nfs/dbraw/zinc/33/66/42/526336642.db2.gz ZQMAASHUANVGMX-BBRMVZONSA-N 1 1 307.346 1.501 20 10 DDCDMO CC(C)[C@H](CNC(=O)NCc1ccccc1O)[NH+]1CCOCC1 ZINC000299495935 535005518 /nfs/dbraw/zinc/00/55/18/535005518.db2.gz KRYIRMGJEKDGOQ-HNNXBMFYSA-N 1 1 321.421 1.548 20 10 DDCDMO CC(C)[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000298440589 535038537 /nfs/dbraw/zinc/03/85/37/535038537.db2.gz QOMMNKHRDMXBHF-KRWDZBQOSA-N 1 1 319.449 1.868 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCN2CCSCC2)c1 ZINC000273609151 536793017 /nfs/dbraw/zinc/79/30/17/536793017.db2.gz VFOQNKXEEHBHCM-LBPRGKRZSA-N 1 1 324.446 1.878 20 10 DDCDMO COc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000114602372 696662039 /nfs/dbraw/zinc/66/20/39/696662039.db2.gz KRSWLZWZBSTVLD-CQSZACIVSA-N 1 1 319.405 1.684 20 10 DDCDMO COC[C@H](CCO)[NH2+]Cc1cccc(Br)c1O ZINC000219117017 697753599 /nfs/dbraw/zinc/75/35/99/697753599.db2.gz TXBXYPIYILOXLS-JTQLQIEISA-N 1 1 304.184 1.642 20 10 DDCDMO CCN(CC)c1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000779433460 698422830 /nfs/dbraw/zinc/42/28/30/698422830.db2.gz YZTNLOBGRKCOSB-HNNXBMFYSA-N 1 1 316.405 1.269 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000779433460 698422833 /nfs/dbraw/zinc/42/28/33/698422833.db2.gz YZTNLOBGRKCOSB-HNNXBMFYSA-N 1 1 316.405 1.269 20 10 DDCDMO COCC[N@H+]1CCC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779514751 698429739 /nfs/dbraw/zinc/42/97/39/698429739.db2.gz MOGBHMOJTDPVOS-BRLPQQTGSA-N 1 1 320.389 1.338 20 10 DDCDMO COc1ccc(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(O)c1 ZINC000792872773 699720098 /nfs/dbraw/zinc/72/00/98/699720098.db2.gz NPYADUANSMLJJT-HUUCEWRRSA-N 1 1 319.405 1.827 20 10 DDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@H](C)C[C@H]1C)cc2=O ZINC000740883329 699804669 /nfs/dbraw/zinc/80/46/69/699804669.db2.gz NNCOVVBJJDCSBK-GHMZBOCLSA-N 1 1 318.377 1.842 20 10 DDCDMO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(F)cc(F)c1O ZINC000794826976 699832192 /nfs/dbraw/zinc/83/21/92/699832192.db2.gz FAUGUGPFIOJMDK-QMMMGPOBSA-N 1 1 305.346 1.898 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@]3(CCCOC3)C1)[C@@H](O)CO2 ZINC000795640619 699880843 /nfs/dbraw/zinc/88/08/43/699880843.db2.gz YNLIYCHUSKIYFP-RDJZCZTQSA-N 1 1 321.373 1.199 20 10 DDCDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc(C)cc(C)c1O ZINC000754739781 700523560 /nfs/dbraw/zinc/52/35/60/700523560.db2.gz OVAFZZVGBOZWQY-AWEZNQCLSA-N 1 1 312.435 1.523 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCOC[C@H]2CCOC2)c1 ZINC000756563075 700628832 /nfs/dbraw/zinc/62/88/32/700628832.db2.gz LFQSUVQWSAZQTI-OLZOCXBDSA-N 1 1 323.389 1.883 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1 ZINC000756706586 700637175 /nfs/dbraw/zinc/63/71/75/700637175.db2.gz ULUBQZPIYFJVHU-XSRFYTQQSA-N 1 1 320.389 1.874 20 10 DDCDMO COc1ccc2ccc(O)c(C[N@@H+](C)[C@H]3CCNC3=O)c2c1 ZINC000758401035 700703485 /nfs/dbraw/zinc/70/34/85/700703485.db2.gz PNCMBGUMOMFWEO-HNNXBMFYSA-N 1 1 300.358 1.874 20 10 DDCDMO CCOCc1cc(CNC[C@]2(O)CC[N@@H+](C)C2)ccc1OC ZINC000762557478 700898020 /nfs/dbraw/zinc/89/80/20/700898020.db2.gz ZUHURMSXDFCWFA-QGZVFWFLSA-N 1 1 308.422 1.388 20 10 DDCDMO CCOCc1cc(C[NH2+]C[C@]2(O)CCN(C)C2)ccc1OC ZINC000762557478 700898022 /nfs/dbraw/zinc/89/80/22/700898022.db2.gz ZUHURMSXDFCWFA-QGZVFWFLSA-N 1 1 308.422 1.388 20 10 DDCDMO Cc1ccc(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)c(O)c1O ZINC000762639910 700900966 /nfs/dbraw/zinc/90/09/66/700900966.db2.gz DFQGZMXTRKHDPG-ZDUSSCGKSA-N 1 1 322.405 1.637 20 10 DDCDMO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809764870 701687608 /nfs/dbraw/zinc/68/76/08/701687608.db2.gz 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COc1ccc(CNC(=O)c2cc3n(n2)C[C@H](C)[NH2+]C3)c(O)c1 ZINC001357601282 880082092 /nfs/dbraw/zinc/08/20/92/880082092.db2.gz XHENUQROLWAVTM-JTQLQIEISA-N 1 1 316.361 1.019 20 10 DDCDMO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@H](O)CO ZINC001231467724 885685785 /nfs/dbraw/zinc/68/57/85/885685785.db2.gz KEJHOLFOOPAMAC-INIZCTEOSA-N 1 1 317.385 1.756 20 10 DDCDMO CCO[C@@H]1C[C@H]2CN(Cc3cc(OC)c(O)cc3O)CC[N@H+]2C1 ZINC001231634823 885772636 /nfs/dbraw/zinc/77/26/36/885772636.db2.gz PENRGMXGJNNUFA-UONOGXRCSA-N 1 1 322.405 1.401 20 10 DDCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1c[nH]c(=O)[nH]c1=O ZINC001231709711 885833028 /nfs/dbraw/zinc/83/30/28/885833028.db2.gz YLTRFEUXKGLHAX-UHFFFAOYSA-N 1 1 302.378 1.976 20 10 DDCDMO COC(=O)c1c(C[N@H+]2CCC[C@H]2CO)c2ccccc2n1C ZINC001232400079 886333766 /nfs/dbraw/zinc/33/37/66/886333766.db2.gz AAUNBKCQEAXMDF-LBPRGKRZSA-N 1 1 302.374 1.922 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)CCCO1 ZINC001232840775 886626206 /nfs/dbraw/zinc/62/62/06/886626206.db2.gz IQTUXYUTUFQIHV-HNNXBMFYSA-N 1 1 308.378 1.222 20 10 DDCDMO CC(C)(C)c1ccc(CN2CC(N3CC[NH2+]CC3)C2)c(O)c1 ZINC001236158694 889121300 /nfs/dbraw/zinc/12/13/00/889121300.db2.gz BLMIMYPSRWMRMY-UHFFFAOYSA-N 1 1 303.450 1.779 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H](O)CC3)c(F)c2)CC1 ZINC001236932453 889429868 /nfs/dbraw/zinc/42/98/68/889429868.db2.gz OTURUEXBRXSETD-KRWDZBQOSA-N 1 1 321.440 1.924 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H](O)CC3)c(F)c2)CC1 ZINC001236932453 889429875 /nfs/dbraw/zinc/42/98/75/889429875.db2.gz OTURUEXBRXSETD-KRWDZBQOSA-N 1 1 321.440 1.924 20 10 DDCDMO C[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2F)C[C@H]1O ZINC001236933416 889430206 /nfs/dbraw/zinc/43/02/06/889430206.db2.gz WSCMTYAWXXLOTR-RDTXWAMCSA-N 1 1 321.440 1.780 20 10 DDCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2F)C[C@H]1O ZINC001236933416 889430210 /nfs/dbraw/zinc/43/02/10/889430210.db2.gz WSCMTYAWXXLOTR-RDTXWAMCSA-N 1 1 321.440 1.780 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3CCC4(COC4)C3)c(F)c2)CC1 ZINC001236936925 889433037 /nfs/dbraw/zinc/43/30/37/889433037.db2.gz UXDOQBRDCUKRIN-UHFFFAOYSA-N 1 1 319.424 1.800 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3CCC4(COC4)C3)c(F)c2)CC1 ZINC001236936925 889433040 /nfs/dbraw/zinc/43/30/40/889433040.db2.gz UXDOQBRDCUKRIN-UHFFFAOYSA-N 1 1 319.424 1.800 20 10 DDCDMO Cc1cc(O)c(C[N@@H+](C)C[C@@H](O)CO)cc1Br ZINC001237681316 889801402 /nfs/dbraw/zinc/80/14/02/889801402.db2.gz RHDKBBMDKNSBMZ-SNVBAGLBSA-N 1 1 304.184 1.248 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)c(O)c1 ZINC001249171203 893850286 /nfs/dbraw/zinc/85/02/86/893850286.db2.gz ALDZAQNCHVMBHN-IUODEOHRSA-N 1 1 307.390 1.701 20 10 DDCDMO COC(=O)Cc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c(O)c1 ZINC001249214339 893870030 /nfs/dbraw/zinc/87/00/30/893870030.db2.gz KCZATNPYWJHMCV-SFHVURJKSA-N 1 1 318.417 1.635 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c(O)c1 ZINC001249214339 893870046 /nfs/dbraw/zinc/87/00/46/893870046.db2.gz KCZATNPYWJHMCV-SFHVURJKSA-N 1 1 318.417 1.635 20 10 DDCDMO CCN1CC[N@@H+](Cc2ccc(CC(=O)OC)cc2O)C[C@H]1C ZINC001249223259 893877623 /nfs/dbraw/zinc/87/76/23/893877623.db2.gz CTJLLKQQRIIXQO-CYBMUJFWSA-N 1 1 306.406 1.634 20 10 DDCDMO CC[N@@H+]1CCN(Cc2ccc(CC(=O)OC)cc2O)C[C@H]1C ZINC001249223259 893877642 /nfs/dbraw/zinc/87/76/42/893877642.db2.gz CTJLLKQQRIIXQO-CYBMUJFWSA-N 1 1 306.406 1.634 20 10 DDCDMO CC[N@H+]1CCN(Cc2ccc(CC(=O)OC)cc2O)C[C@H]1C ZINC001249223259 893877658 /nfs/dbraw/zinc/87/76/58/893877658.db2.gz CTJLLKQQRIIXQO-CYBMUJFWSA-N 1 1 306.406 1.634 20 10 DDCDMO CCOC(=O)CCCOc1ccc(C[NH+]2CCOCC2)c(O)c1 ZINC001249726877 894112895 /nfs/dbraw/zinc/11/28/95/894112895.db2.gz VURGFKKLTUTHHM-UHFFFAOYSA-N 1 1 323.389 1.947 20 10 DDCDMO COc1ccc(N2CCN([C@H]3CC[N@@H+](C)C3)CC2)c(OC)c1 ZINC001255440479 896929124 /nfs/dbraw/zinc/92/91/24/896929124.db2.gz CYDDPPUARHWZBE-AWEZNQCLSA-N 1 1 305.422 1.530 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000273511660 130130322 /nfs/dbraw/zinc/13/03/22/130130322.db2.gz RVIKWHINOSQJHM-CMPLNLGQSA-N 1 1 318.373 1.593 20 10 DDCDMO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000274075173 130202987 /nfs/dbraw/zinc/20/29/87/130202987.db2.gz GEYNFFQPZSOEQQ-AWEZNQCLSA-N 1 1 313.419 1.800 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000274075173 130202988 /nfs/dbraw/zinc/20/29/88/130202988.db2.gz GEYNFFQPZSOEQQ-AWEZNQCLSA-N 1 1 313.419 1.800 20 10 DDCDMO COc1cc(Cl)cc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c1O ZINC000274846145 130267602 /nfs/dbraw/zinc/26/76/02/130267602.db2.gz ADYDVGNCSYSEPT-UHFFFAOYSA-N 1 1 321.764 1.696 20 10 DDCDMO COc1cc(Cl)cc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)c1O ZINC000274846145 130267606 /nfs/dbraw/zinc/26/76/06/130267606.db2.gz ADYDVGNCSYSEPT-UHFFFAOYSA-N 1 1 321.764 1.696 20 10 DDCDMO CN(Cc1ccccc1O)C(=O)NCCC[NH+]1CCOCC1 ZINC000298620951 132070811 /nfs/dbraw/zinc/07/08/11/132070811.db2.gz RJGUWIOMMDHCJJ-UHFFFAOYSA-N 1 1 307.394 1.256 20 10 DDCDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(CC(N)=O)CC2)c1O ZINC000129068512 407591485 /nfs/dbraw/zinc/59/14/85/407591485.db2.gz VWQJRFAJPHHEOZ-UHFFFAOYSA-N 1 1 308.353 1.821 20 10 DDCDMO CS(=O)(=O)N1CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000179661803 407819926 /nfs/dbraw/zinc/81/99/26/407819926.db2.gz JDHRKZPJWZLBMS-UHFFFAOYSA-N 1 1 318.826 1.513 20 10 DDCDMO CS(=O)(=O)N1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179661803 407819931 /nfs/dbraw/zinc/81/99/31/407819931.db2.gz JDHRKZPJWZLBMS-UHFFFAOYSA-N 1 1 318.826 1.513 20 10 DDCDMO CCCOc1ccc(C[N@@H+](C)CC(=O)N2CCOCC2)c(O)c1 ZINC000179676924 407820946 /nfs/dbraw/zinc/82/09/46/407820946.db2.gz RIGZAVFFIKHKBC-UHFFFAOYSA-N 1 1 322.405 1.472 20 10 DDCDMO C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273409781 408188338 /nfs/dbraw/zinc/18/83/38/408188338.db2.gz PMAHCWVIBSEAKE-WCQYABFASA-N 1 1 309.366 1.408 20 10 DDCDMO COCCOCCOCC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000276263898 408828076 /nfs/dbraw/zinc/82/80/76/408828076.db2.gz XAMAAKRPQWSLEZ-UHFFFAOYSA-N 1 1 310.438 1.864 20 10 DDCDMO CCNC(=O)N1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293315281 409087213 /nfs/dbraw/zinc/08/72/13/409087213.db2.gz BZDLWOBXUCKCIU-UHFFFAOYSA-N 1 1 304.438 1.908 20 10 DDCDMO COC(=O)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278944448 409118323 /nfs/dbraw/zinc/11/83/23/409118323.db2.gz YEQHATBQDUVKRZ-UHFFFAOYSA-N 1 1 312.322 1.598 20 10 DDCDMO CCCOc1ccc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c(O)c1 ZINC000279529917 409232816 /nfs/dbraw/zinc/23/28/16/409232816.db2.gz ZGVKCUYHFQABGN-KRWDZBQOSA-N 1 1 304.390 1.893 20 10 DDCDMO COc1ccc(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)c(O)c1 ZINC000373671977 418444339 /nfs/dbraw/zinc/44/43/39/418444339.db2.gz YOTAIAKXERTKJK-KBPBESRZSA-N 1 1 304.390 1.891 20 10 DDCDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3c(O)ccc(Cl)c3F)CC[C@@H]12 ZINC000366486428 418479579 /nfs/dbraw/zinc/47/95/79/418479579.db2.gz XOWCWQVQRFIRLA-HTQZYQBOSA-N 1 1 312.728 1.279 20 10 DDCDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3F)CC[C@@H]12 ZINC000366486428 418479583 /nfs/dbraw/zinc/47/95/83/418479583.db2.gz XOWCWQVQRFIRLA-HTQZYQBOSA-N 1 1 312.728 1.279 20 10 DDCDMO Cc1cc(O)c(C[NH+]2CC(n3cc([C@H](C)O)nn3)C2)cc1C ZINC000374819531 418565702 /nfs/dbraw/zinc/56/57/02/418565702.db2.gz NVQVZKLJXNBXRK-LBPRGKRZSA-N 1 1 302.378 1.711 20 10 DDCDMO COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000374667567 418553435 /nfs/dbraw/zinc/55/34/35/418553435.db2.gz XVBIDLIYQJUKKA-SJKOYZFVSA-N 1 1 319.357 1.896 20 10 DDCDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299351692 533683188 /nfs/dbraw/zinc/68/31/88/533683188.db2.gz PFGYSIRTWIMBAI-XOIINTDNSA-N 1 1 319.449 1.603 20 10 DDCDMO CN(C)c1ccc(CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C2CC2)cc1 ZINC000266864189 522163004 /nfs/dbraw/zinc/16/30/04/522163004.db2.gz VNSSNCZVNSTYIF-KRWDZBQOSA-N 1 1 317.433 1.574 20 10 DDCDMO CN(C)c1ccc(CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C2CC2)cc1 ZINC000266864189 522163011 /nfs/dbraw/zinc/16/30/11/522163011.db2.gz VNSSNCZVNSTYIF-KRWDZBQOSA-N 1 1 317.433 1.574 20 10 DDCDMO OCC[N@@H+](CCOCC(F)(F)F)Cc1cc(F)ccc1O ZINC000180136197 527548765 /nfs/dbraw/zinc/54/87/65/527548765.db2.gz NVNLWKXHKVLGGP-UHFFFAOYSA-N 1 1 311.275 1.905 20 10 DDCDMO CC1(C)C(=O)NCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093084513 696599224 /nfs/dbraw/zinc/59/92/24/696599224.db2.gz CKWIWTALTDEFQL-UHFFFAOYSA-N 1 1 303.406 1.234 20 10 DDCDMO CC1(C)C(=O)NCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093084513 696599225 /nfs/dbraw/zinc/59/92/25/696599225.db2.gz CKWIWTALTDEFQL-UHFFFAOYSA-N 1 1 303.406 1.234 20 10 DDCDMO CCCC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000102947056 696612339 /nfs/dbraw/zinc/61/23/39/696612339.db2.gz DJEYUYQOFSQPGS-UHFFFAOYSA-N 1 1 305.422 1.734 20 10 DDCDMO CCNC(=O)C[N@@H+](CC)Cc1ccc(N2CCOCC2)cc1 ZINC000119309964 696679420 /nfs/dbraw/zinc/67/94/20/696679420.db2.gz CTNOIOQJJLIQBT-UHFFFAOYSA-N 1 1 305.422 1.481 20 10 DDCDMO COc1cc(Br)cc(C[N@@H+](C)C[C@@H](C)O)c1O ZINC000130744208 696800712 /nfs/dbraw/zinc/80/07/12/696800712.db2.gz CEWRXKYEESCVLC-MRVPVSSYSA-N 1 1 304.184 1.976 20 10 DDCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CCNC1=O ZINC000178206772 697421869 /nfs/dbraw/zinc/42/18/69/697421869.db2.gz NHROUPOLCGIPKA-LLVKDONJSA-N 1 1 313.195 1.865 20 10 DDCDMO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2nnnn2C2CC2)c1 ZINC000191830265 697614905 /nfs/dbraw/zinc/61/49/05/697614905.db2.gz QDJPWERNJPNSCU-JTQLQIEISA-N 1 1 303.366 1.963 20 10 DDCDMO COc1c(O)c(C[NH2+]CCN2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000775047757 697957622 /nfs/dbraw/zinc/95/76/22/697957622.db2.gz BVZAIAKJYKQMKT-LLVKDONJSA-N 1 1 309.366 1.740 20 10 DDCDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000749970868 700195899 /nfs/dbraw/zinc/19/58/99/700195899.db2.gz DPUPQLILERRTFH-AWEZNQCLSA-N 1 1 312.435 1.523 20 10 DDCDMO CCOc1cccc(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1O ZINC000281213721 698542582 /nfs/dbraw/zinc/54/25/82/698542582.db2.gz JYLLIULHOIZEQD-OLZOCXBDSA-N 1 1 306.362 1.721 20 10 DDCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](C(N)=O)C2)c1 ZINC000781892802 698659517 /nfs/dbraw/zinc/65/95/17/698659517.db2.gz 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OC[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H]1CCOC1 ZINC000294823165 409303843 /nfs/dbraw/zinc/30/38/43/409303843.db2.gz XRLIKBFJUGJGDE-KOLCDFICSA-N 1 1 303.761 1.919 20 10 DDCDMO CCOc1cccc(C[N@H+]2CC[C@](COC)(C(=O)OC)C2)c1O ZINC000295044948 409309115 /nfs/dbraw/zinc/30/91/15/409309115.db2.gz NAFDFNOHWIVMBA-KRWDZBQOSA-N 1 1 323.389 1.802 20 10 DDCDMO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H](C)O1 ZINC000294299087 409273430 /nfs/dbraw/zinc/27/34/30/409273430.db2.gz WXWIARWCFOKGJL-CZUORRHYSA-N 1 1 306.406 1.823 20 10 DDCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H](C)O1 ZINC000294299087 409273433 /nfs/dbraw/zinc/27/34/33/409273433.db2.gz WXWIARWCFOKGJL-CZUORRHYSA-N 1 1 306.406 1.823 20 10 DDCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCCN([C@H](C)CO)CC2)c1 ZINC000367315696 418584721 /nfs/dbraw/zinc/58/47/21/418584721.db2.gz AQPCECJSCZWPRO-KGLIPLIRSA-N 1 1 308.422 1.850 20 10 DDCDMO COc1ccc(O)c([C@H](C)N2CCC[N@@H+]([C@H](C)CO)CC2)c1 ZINC000367315696 418584725 /nfs/dbraw/zinc/58/47/25/418584725.db2.gz AQPCECJSCZWPRO-KGLIPLIRSA-N 1 1 308.422 1.850 20 10 DDCDMO COc1ccc(O)c([C@H](C)N2CCC[N@H+]([C@H](C)CO)CC2)c1 ZINC000367315696 418584728 /nfs/dbraw/zinc/58/47/28/418584728.db2.gz AQPCECJSCZWPRO-KGLIPLIRSA-N 1 1 308.422 1.850 20 10 DDCDMO C[N@H+]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000265966648 222357609 /nfs/dbraw/zinc/35/76/09/222357609.db2.gz SGKDCQHUQIGDEV-UHFFFAOYSA-N 1 1 314.433 1.910 20 10 DDCDMO COc1ccc(O)c(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)c1 ZINC000377926115 418717665 /nfs/dbraw/zinc/71/76/65/418717665.db2.gz WGNGPDWDZNSAIL-GFCCVEGCSA-N 1 1 315.373 1.785 20 10 DDCDMO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000368021390 418675045 /nfs/dbraw/zinc/67/50/45/418675045.db2.gz RGUBLXAPKZIFGI-LBPRGKRZSA-N 1 1 314.382 1.187 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@](O)(C3CC3)C2)cc1 ZINC000370081384 418740540 /nfs/dbraw/zinc/74/05/40/418740540.db2.gz JDSSGOKMFLSZPR-GOSISDBHSA-N 1 1 317.433 1.216 20 10 DDCDMO CNC(=O)NC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298778675 277235237 /nfs/dbraw/zinc/23/52/37/277235237.db2.gz KYBMFQPXXKEBEU-UHFFFAOYSA-N 1 1 304.394 1.173 20 10 DDCDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cc2ccc(N)cc2)C[C@H](C)O1 ZINC000237655353 524889879 /nfs/dbraw/zinc/88/98/79/524889879.db2.gz VVDYLWBWIRDCQN-OKILXGFUSA-N 1 1 319.449 1.815 20 10 DDCDMO COc1ccc(N2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)cc1 ZINC000021020781 696071980 /nfs/dbraw/zinc/07/19/80/696071980.db2.gz SHTCUOLMSIXQQM-CQSZACIVSA-N 1 1 307.419 1.006 20 10 DDCDMO COCC[N@H+](CC(=O)N(C)C)Cc1cc(Cl)ccc1O ZINC000091774024 696590926 /nfs/dbraw/zinc/59/09/26/696590926.db2.gz VSYUYTUMZNVFNG-UHFFFAOYSA-N 1 1 300.786 1.582 20 10 DDCDMO COCC[N@@H+](CC(=O)N(C)C)Cc1cc(Cl)ccc1O ZINC000091774024 696590928 /nfs/dbraw/zinc/59/09/28/696590928.db2.gz VSYUYTUMZNVFNG-UHFFFAOYSA-N 1 1 300.786 1.582 20 10 DDCDMO C[C@H]1CC(=O)N(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000113238897 696655364 /nfs/dbraw/zinc/65/53/64/696655364.db2.gz NNWOVLJHZQNMFB-HNNXBMFYSA-N 1 1 317.433 1.781 20 10 DDCDMO C[C@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000113238897 696655365 /nfs/dbraw/zinc/65/53/65/696655365.db2.gz NNWOVLJHZQNMFB-HNNXBMFYSA-N 1 1 317.433 1.781 20 10 DDCDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000749793555 700184948 /nfs/dbraw/zinc/18/49/48/700184948.db2.gz UCYBNBUDBNDMGM-AWEZNQCLSA-N 1 1 310.419 1.004 20 10 DDCDMO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCC1 ZINC000775049604 697958201 /nfs/dbraw/zinc/95/82/01/697958201.db2.gz AANPQOBRNUWRHZ-UHFFFAOYSA-N 1 1 324.333 1.884 20 10 DDCDMO C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1ccc(N(C)C)cc1 ZINC000775406961 697993639 /nfs/dbraw/zinc/99/36/39/697993639.db2.gz QMRGNJOSPCFHQB-WMLDXEAASA-N 1 1 316.449 1.320 20 10 DDCDMO CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[N@H+]1CCO ZINC000781678815 698639566 /nfs/dbraw/zinc/63/95/66/698639566.db2.gz AWZKHAYPOHJOQB-GQCTYLIASA-N 1 1 320.389 1.026 20 10 DDCDMO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NCc1ccccc1O ZINC000702368165 699229518 /nfs/dbraw/zinc/22/95/18/699229518.db2.gz GQMJXFFIRBBMCZ-INIZCTEOSA-N 1 1 313.401 1.468 20 10 DDCDMO CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC000702368165 699229520 /nfs/dbraw/zinc/22/95/20/699229520.db2.gz GQMJXFFIRBBMCZ-INIZCTEOSA-N 1 1 313.401 1.468 20 10 DDCDMO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000734285637 699646515 /nfs/dbraw/zinc/64/65/15/699646515.db2.gz QRIUINRBUGLZJZ-NWDGAFQWSA-N 1 1 319.405 1.998 20 10 DDCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[NH+]1CCOCC1 ZINC000751383041 700284418 /nfs/dbraw/zinc/28/44/18/700284418.db2.gz XDLIQBXBKCUVEF-UHFFFAOYSA-N 1 1 319.449 1.823 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCNC(=O)C(C)C)c1 ZINC000756775838 700640809 /nfs/dbraw/zinc/64/08/09/700640809.db2.gz LMWZICIWTQDBKR-LBPRGKRZSA-N 1 1 322.405 1.992 20 10 DDCDMO C[NH+]1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000759603395 700761722 /nfs/dbraw/zinc/76/17/22/700761722.db2.gz WPAVJCCSMAQPKT-UHFFFAOYSA-N 1 1 300.453 1.582 20 10 DDCDMO CCOC(=O)CC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CC1 ZINC000768439788 701176969 /nfs/dbraw/zinc/17/69/69/701176969.db2.gz JVYDRBXRYCFQQZ-OAHLLOKOSA-N 1 1 321.373 1.736 20 10 DDCDMO CCC(=O)N1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768443256 701177297 /nfs/dbraw/zinc/17/72/97/701177297.db2.gz CBVPPNNREIYAFO-OAHLLOKOSA-N 1 1 320.389 1.262 20 10 DDCDMO Cc1nccn1CCC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768463995 701179592 /nfs/dbraw/zinc/17/95/92/701179592.db2.gz YSKMZRAUUIREGH-INIZCTEOSA-N 1 1 317.389 1.845 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]3COCC[C@H]31)[C@H](O)CO2 ZINC000768463671 701179979 /nfs/dbraw/zinc/17/99/79/701179979.db2.gz LDXMEBZLTBXZDR-DJSGYFEHSA-N 1 1 305.374 1.819 20 10 DDCDMO CCOc1ccc(C[NH+]2CCN([C@H](CC)CO)CC2)c(O)c1 ZINC000769501935 701247550 /nfs/dbraw/zinc/24/75/50/701247550.db2.gz GBLRWCXMWSEYNH-OAHLLOKOSA-N 1 1 308.422 1.679 20 10 DDCDMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1O ZINC000770380667 701275707 /nfs/dbraw/zinc/27/57/07/701275707.db2.gz NIIMQBLAZPDQKL-YOEHRIQHSA-N 1 1 308.397 1.865 20 10 DDCDMO Cc1cc(C[N@H+]2CCN(CCO)C(C)(C)C2)ccc1N(C)C ZINC000815099227 701799421 /nfs/dbraw/zinc/79/94/21/701799421.db2.gz SHAJCXDGICBICY-UHFFFAOYSA-N 1 1 305.466 1.950 20 10 DDCDMO Cc1cc(CN2CC[N@H+](CCO)C(C)(C)C2)ccc1N(C)C ZINC000815099227 701799426 /nfs/dbraw/zinc/79/94/26/701799426.db2.gz SHAJCXDGICBICY-UHFFFAOYSA-N 1 1 305.466 1.950 20 10 DDCDMO Cc1cc(CN2CC[N@@H+](CCO)C(C)(C)C2)ccc1N(C)C ZINC000815099227 701799429 /nfs/dbraw/zinc/79/94/29/701799429.db2.gz SHAJCXDGICBICY-UHFFFAOYSA-N 1 1 305.466 1.950 20 10 DDCDMO COCC(COC)[NH+]1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000840171689 702008633 /nfs/dbraw/zinc/00/86/33/702008633.db2.gz OQRIYLWQIUXCBQ-UHFFFAOYSA-N 1 1 322.449 1.788 20 10 DDCDMO COCCC[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868309713 702060140 /nfs/dbraw/zinc/06/01/40/702060140.db2.gz LLDNJYZRTHUVJV-ZDUSSCGKSA-N 1 1 309.410 1.721 20 10 DDCDMO COc1c([O-])c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841100108 702345486 /nfs/dbraw/zinc/34/54/86/702345486.db2.gz UVODBEPOLUEUPC-PWSUYJOCSA-N 1 1 309.366 1.726 20 10 DDCDMO COc1c(O)c(C[NH2+]C2CCN(OC)CC2)ccc1[N+](=O)[O-] ZINC000817418277 702376364 /nfs/dbraw/zinc/37/63/64/702376364.db2.gz IWLULFGMYNOXMG-UHFFFAOYSA-N 1 1 311.338 1.424 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CCN(OC)CC2)c1 ZINC000817587779 702416709 /nfs/dbraw/zinc/41/67/09/702416709.db2.gz HQXCUWDSQOEODV-LLVKDONJSA-N 1 1 308.378 1.855 20 10 DDCDMO Nc1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000841300560 702417884 /nfs/dbraw/zinc/41/78/84/702417884.db2.gz TYOBMJRHEHQKTN-MRXNPFEDSA-N 1 1 318.421 1.987 20 10 DDCDMO c1cc(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000817902489 702515195 /nfs/dbraw/zinc/51/51/95/702515195.db2.gz RGQPORVOHFAUPQ-GVDBMIGSSA-N 1 1 302.418 1.868 20 10 DDCDMO [NH3+]CC(F)(F)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841710594 702546646 /nfs/dbraw/zinc/54/66/46/702546646.db2.gz ZGHXTGOYDGTKQK-UHFFFAOYSA-N 1 1 312.364 1.680 20 10 DDCDMO C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000843044055 702807336 /nfs/dbraw/zinc/80/73/36/702807336.db2.gz BQULWZMRLYYHCA-LLVKDONJSA-N 1 1 309.366 1.740 20 10 DDCDMO C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000843044055 702807338 /nfs/dbraw/zinc/80/73/38/702807338.db2.gz BQULWZMRLYYHCA-LLVKDONJSA-N 1 1 309.366 1.740 20 10 DDCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000843433554 702880388 /nfs/dbraw/zinc/88/03/88/702880388.db2.gz DZXLNQDQVQWGEA-GHMZBOCLSA-N 1 1 313.781 1.710 20 10 DDCDMO CCOc1cccc(C[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)c1O ZINC000843435601 702882077 /nfs/dbraw/zinc/88/20/77/702882077.db2.gz WGZNLCRFIQPPJL-OLZOCXBDSA-N 1 1 309.362 1.147 20 10 DDCDMO O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000848524449 703561059 /nfs/dbraw/zinc/56/10/59/703561059.db2.gz FWBQHXJTRXOQCJ-HNNXBMFYSA-N 1 1 321.377 1.643 20 10 DDCDMO CCc1cccc(C[NH+]2CCN(CC[S@](C)=O)CC2)c1O ZINC000848887987 703598802 /nfs/dbraw/zinc/59/88/02/703598802.db2.gz JXBDYQHXPNNCGW-NRFANRHFSA-N 1 1 310.463 1.451 20 10 DDCDMO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000850360420 703727151 /nfs/dbraw/zinc/72/71/51/703727151.db2.gz FJSDQMCYYJDGEE-AAEUAGOBSA-N 1 1 319.810 1.256 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](O)C34CCC4)cc2)CC1 ZINC000850388930 703729040 /nfs/dbraw/zinc/72/90/40/703729040.db2.gz RGCUWZIPGZHTQG-ZWKOTPCHSA-N 1 1 315.461 1.832 20 10 DDCDMO Cn1ccnc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406104 703729968 /nfs/dbraw/zinc/72/99/68/703729968.db2.gz RUUSFEDBNHZAMZ-UHFFFAOYSA-N 1 1 300.406 1.671 20 10 DDCDMO Oc1cc2c(cc1CN1CC[NH+]([C@@H]3CCOC3)CC1)OCO2 ZINC000853551046 704266260 /nfs/dbraw/zinc/26/62/60/704266260.db2.gz QRDXYIDASDBOMF-CYBMUJFWSA-N 1 1 306.362 1.027 20 10 DDCDMO Oc1cc2c(cc1C[NH+]1CCN([C@@H]3CCOC3)CC1)OCO2 ZINC000853551046 704266262 /nfs/dbraw/zinc/26/62/62/704266262.db2.gz QRDXYIDASDBOMF-CYBMUJFWSA-N 1 1 306.362 1.027 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H]2CCN(C(C)=O)C2)ccc1[N+](=O)[O-] ZINC000857068308 704549628 /nfs/dbraw/zinc/54/96/28/704549628.db2.gz QANLQLODCLHBDF-LLVKDONJSA-N 1 1 309.322 1.019 20 10 DDCDMO COCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)[C@@H](C)C(N)=O ZINC000835024973 707157308 /nfs/dbraw/zinc/15/73/08/707157308.db2.gz BFLPPFLAQQKZKD-GJBLVYBDSA-N 1 1 305.422 1.588 20 10 DDCDMO COCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)[C@@H](C)C(N)=O ZINC000835024973 707157311 /nfs/dbraw/zinc/15/73/11/707157311.db2.gz BFLPPFLAQQKZKD-GJBLVYBDSA-N 1 1 305.422 1.588 20 10 DDCDMO C[N@H+](CC(=O)NC1CC1)Cc1ccc(Br)cc1O ZINC000824535929 705474456 /nfs/dbraw/zinc/47/44/56/705474456.db2.gz ZAFHZKGVUHIGNS-UHFFFAOYSA-N 1 1 313.195 1.865 20 10 DDCDMO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(Br)cc1O ZINC000824535929 705474461 /nfs/dbraw/zinc/47/44/61/705474461.db2.gz ZAFHZKGVUHIGNS-UHFFFAOYSA-N 1 1 313.195 1.865 20 10 DDCDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000825129862 705605489 /nfs/dbraw/zinc/60/54/89/705605489.db2.gz GWFISROEXQFLQC-YJBOKZPZSA-N 1 1 320.433 1.495 20 10 DDCDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000825158548 705611737 /nfs/dbraw/zinc/61/17/37/705611737.db2.gz PKTDWFYQPDTFLM-GOSISDBHSA-N 1 1 320.433 1.354 20 10 DDCDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000825280246 705639075 /nfs/dbraw/zinc/63/90/75/705639075.db2.gz ZYGZMNORUGVEBI-HNNXBMFYSA-N 1 1 304.438 1.988 20 10 DDCDMO COCCC[N@@H+](CCO)Cc1cc(F)c(N(C)C)cc1F ZINC000862336972 705698143 /nfs/dbraw/zinc/69/81/43/705698143.db2.gz OQDNKLAPGAZBGK-UHFFFAOYSA-N 1 1 302.365 1.862 20 10 DDCDMO OC[C@@]1(O)CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862392777 705708095 /nfs/dbraw/zinc/70/80/95/705708095.db2.gz QNMVWKWLRAMDQI-CYBMUJFWSA-N 1 1 316.195 1.474 20 10 DDCDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877183444 706009813 /nfs/dbraw/zinc/00/98/13/706009813.db2.gz DTQGAQSFGVPZGJ-GDBMZVCRSA-N 1 1 304.434 1.850 20 10 DDCDMO C[NH+]1CCN(c2ccc(CN3CCc4n[nH]nc4C3)cc2)CC1 ZINC000827884759 706081936 /nfs/dbraw/zinc/08/19/36/706081936.db2.gz HHZHWZUVYXOHIM-UHFFFAOYSA-N 1 1 312.421 1.115 20 10 DDCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@H](O)CC3)cc2)CC1 ZINC000877555301 706141586 /nfs/dbraw/zinc/14/15/86/706141586.db2.gz SGHFJOIJOXYXMW-KRWDZBQOSA-N 1 1 304.434 1.995 20 10 DDCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c(Cl)c1 ZINC000877719831 706188570 /nfs/dbraw/zinc/18/85/70/706188570.db2.gz IXHNDUDDJCEZBJ-AOOOYVTPSA-N 1 1 308.765 1.401 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000877790178 706214868 /nfs/dbraw/zinc/21/48/68/706214868.db2.gz DSNFCEUECFHYQL-WCQYABFASA-N 1 1 311.403 1.267 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000877790178 706214871 /nfs/dbraw/zinc/21/48/71/706214871.db2.gz DSNFCEUECFHYQL-WCQYABFASA-N 1 1 311.403 1.267 20 10 DDCDMO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883023396 707901963 /nfs/dbraw/zinc/90/19/63/707901963.db2.gz USDNBFJVZMZYDK-UHFFFAOYSA-N 1 1 307.362 1.973 20 10 DDCDMO CCn1ncc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000838915549 708002770 /nfs/dbraw/zinc/00/27/70/708002770.db2.gz KPOREBDZAGOCHS-AWEZNQCLSA-N 1 1 315.421 1.985 20 10 DDCDMO CN1CCN(c2ccc(C[NH+]3CC(C(C)(C)O)C3)cc2)CC1 ZINC000839139748 708029492 /nfs/dbraw/zinc/02/94/92/708029492.db2.gz KUMDEGXTPNRKBA-UHFFFAOYSA-N 1 1 303.450 1.641 20 10 DDCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@](C)(O)C(F)F ZINC000885940299 708667022 /nfs/dbraw/zinc/66/70/22/708667022.db2.gz FRTHGCCTXNFXMO-INIZCTEOSA-N 1 1 314.376 1.971 20 10 DDCDMO Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900733594 709734461 /nfs/dbraw/zinc/73/44/61/709734461.db2.gz YJLWPIYWPZUOJN-DOTOQJQBSA-N 1 1 305.422 1.132 20 10 DDCDMO COc1ccc(C[N@@H+](C)[C@@H]2CCCCNC2=O)c(O)c1OC ZINC000891853634 710309979 /nfs/dbraw/zinc/30/99/79/710309979.db2.gz BGPHHQTUVYXPTF-GFCCVEGCSA-N 1 1 308.378 1.510 20 10 DDCDMO COc1ccc(C[N@H+]2CCSC[C@@H]2CCO)c(O)c1OC ZINC000892221987 710397935 /nfs/dbraw/zinc/39/79/35/710397935.db2.gz 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ZINC000894469605 711138265 /nfs/dbraw/zinc/13/82/65/711138265.db2.gz NMYFXILJZUWKOC-OAHLLOKOSA-N 1 1 317.332 1.853 20 10 DDCDMO Oc1cc2c(cc1CNC[C@H]1C[NH2+]CCC1(F)F)OCO2 ZINC000903954932 711347225 /nfs/dbraw/zinc/34/72/25/711347225.db2.gz ITQHHGDQDKGAHO-SNVBAGLBSA-N 1 1 300.305 1.455 20 10 DDCDMO Oc1cc2c(cc1C[NH2+]C[C@H]1CNCCC1(F)F)OCO2 ZINC000903954932 711347228 /nfs/dbraw/zinc/34/72/28/711347228.db2.gz ITQHHGDQDKGAHO-SNVBAGLBSA-N 1 1 300.305 1.455 20 10 DDCDMO COC(=O)[C@@]1(O)CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000895701511 711581599 /nfs/dbraw/zinc/58/15/99/711581599.db2.gz AEBCFAHTRDGSPL-LAQIPUCWSA-N 1 1 304.390 1.376 20 10 DDCDMO COc1cccc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c1O ZINC000895722613 711588211 /nfs/dbraw/zinc/58/82/11/711588211.db2.gz XSPWGSIVGUPBOK-CQSZACIVSA-N 1 1 307.390 1.764 20 10 DDCDMO COc1cc(O)c(C[N@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)cc1OC ZINC000895921687 711646568 /nfs/dbraw/zinc/64/65/68/711646568.db2.gz PHTXKWKYPFZMIV-GRYCIOLGSA-N 1 1 322.405 1.849 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)cc1OC ZINC000895921687 711646569 /nfs/dbraw/zinc/64/65/69/711646569.db2.gz PHTXKWKYPFZMIV-GRYCIOLGSA-N 1 1 322.405 1.849 20 10 DDCDMO COC(OC)[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000922314580 714018734 /nfs/dbraw/zinc/01/87/34/714018734.db2.gz JLJPCEKPJRDDEN-AWEZNQCLSA-N 1 1 307.438 1.535 20 10 DDCDMO C[C@@H]1NCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000925715717 714919975 /nfs/dbraw/zinc/91/99/75/714919975.db2.gz LJMCZFITAARURJ-KSSFIOAISA-N 1 1 303.450 1.878 20 10 DDCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCF)C2)cc1 ZINC001029013450 740257547 /nfs/dbraw/zinc/25/75/47/740257547.db2.gz AFGNANKYWYYVKS-NSHDSACASA-N 1 1 321.356 1.870 20 10 DDCDMO COc1ccc(C[NH+]2CCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC001203628619 744301395 /nfs/dbraw/zinc/30/13/95/744301395.db2.gz CSMGANLNWIOSMS-MRXNPFEDSA-N 1 1 306.406 1.697 20 10 DDCDMO COc1cc(C(=O)NC2C[NH+](CC3CCC3)C2)cc(OC)n1 ZINC001030614749 744328537 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CN(Cc1cnn(C)c1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775644348 698018551 /nfs/dbraw/zinc/01/85/51/698018551.db2.gz IMWIYSJPUQEERB-UHFFFAOYSA-N 1 1 313.449 1.804 20 10 DDCDMO COC[C@@](C)(O)C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000781628836 698635671 /nfs/dbraw/zinc/63/56/71/698635671.db2.gz BNLBYELUKUTAIK-ZDUSSCGKSA-N 1 1 318.211 1.950 20 10 DDCDMO C[N@@H+]1C[C@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]2C1 ZINC000787305013 699204386 /nfs/dbraw/zinc/20/43/86/699204386.db2.gz NCUZFQJQWAUGJR-IYBDPMFKSA-N 1 1 319.424 1.656 20 10 DDCDMO CNC(=O)NC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731847413 699537817 /nfs/dbraw/zinc/53/78/17/699537817.db2.gz KFQITTQHCHPQAZ-UHFFFAOYSA-N 1 1 305.378 1.592 20 10 DDCDMO NC(=O)C1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000792173897 699680566 /nfs/dbraw/zinc/68/05/66/699680566.db2.gz LHHYUFIXZNNCQP-UHFFFAOYSA-N 1 1 318.377 1.693 20 10 DDCDMO CCOc1ccc(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c(O)c1 ZINC000793588269 699765983 /nfs/dbraw/zinc/76/59/83/699765983.db2.gz IFUADAFLLDWWTN-ZIAGYGMSSA-N 1 1 308.422 1.678 20 10 DDCDMO CCOc1ccc(C[N@@H+]2CCN(C[C@@H](C)O)C[C@H]2C)c(O)c1 ZINC000793588269 699765985 /nfs/dbraw/zinc/76/59/85/699765985.db2.gz IFUADAFLLDWWTN-ZIAGYGMSSA-N 1 1 308.422 1.678 20 10 DDCDMO CCOc1ccc(C[N@H+]2CCN(C[C@@H](C)O)C[C@H]2C)c(O)c1 ZINC000793588269 699765986 /nfs/dbraw/zinc/76/59/86/699765986.db2.gz IFUADAFLLDWWTN-ZIAGYGMSSA-N 1 1 308.422 1.678 20 10 DDCDMO COC[C@H](CO)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000794835996 699832561 /nfs/dbraw/zinc/83/25/61/699832561.db2.gz LBYJVTNVCMFURV-SFYZADRCSA-N 1 1 322.174 1.952 20 10 DDCDMO CC[N@@H+](CC(=O)NC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000743271593 699905229 /nfs/dbraw/zinc/90/52/29/699905229.db2.gz DJDMGQMWKFSFDQ-UHFFFAOYSA-N 1 1 319.449 1.870 20 10 DDCDMO CC[N@H+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000754372909 700498448 /nfs/dbraw/zinc/49/84/48/700498448.db2.gz MZEQUMPIGRCANH-OAHLLOKOSA-N 1 1 318.465 1.395 20 10 DDCDMO COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756733175 700638557 /nfs/dbraw/zinc/63/85/57/700638557.db2.gz NMKKUUNUGABQTP-RYUDHWBXSA-N 1 1 311.378 1.881 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(OC)CCOC2)c1 ZINC000763570483 700941001 /nfs/dbraw/zinc/94/10/01/700941001.db2.gz FIDLXGIHSVVXHU-BZNIZROVSA-N 1 1 309.362 1.635 20 10 DDCDMO OCC[C@H]1COCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809765313 701688372 /nfs/dbraw/zinc/68/83/72/701688372.db2.gz MMUVDGHAQLPMGH-KRWDZBQOSA-N 1 1 306.406 1.106 20 10 DDCDMO OCC[C@H]1COCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809765313 701688374 /nfs/dbraw/zinc/68/83/74/701688374.db2.gz MMUVDGHAQLPMGH-KRWDZBQOSA-N 1 1 306.406 1.106 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](n3ccnc3)C1)[C@@H](O)CO2 ZINC000768447048 701177642 /nfs/dbraw/zinc/17/76/42/701177642.db2.gz QPXCPRJGHIPMPS-CJNGLKHVSA-N 1 1 315.373 1.852 20 10 DDCDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768464099 701179989 /nfs/dbraw/zinc/17/99/89/701179989.db2.gz NIJCWVDZWYVMRE-XJKSGUPXSA-N 1 1 307.346 1.203 20 10 DDCDMO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC000768771165 701201463 /nfs/dbraw/zinc/20/14/63/701201463.db2.gz VWKIIEAZYIBEML-CZUORRHYSA-N 1 1 305.422 1.024 20 10 DDCDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000769534247 701248507 /nfs/dbraw/zinc/24/85/07/701248507.db2.gz UGAYCCHNUJYQBY-GFCCVEGCSA-N 1 1 318.826 1.559 20 10 DDCDMO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000770384986 701276100 /nfs/dbraw/zinc/27/61/00/701276100.db2.gz HLUQGUVBJBQKGA-SECBINFHSA-N 1 1 304.799 1.169 20 10 DDCDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000770384986 701276101 /nfs/dbraw/zinc/27/61/01/701276101.db2.gz HLUQGUVBJBQKGA-SECBINFHSA-N 1 1 304.799 1.169 20 10 DDCDMO CC(=O)C(=O)COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000808517460 701521490 /nfs/dbraw/zinc/52/14/90/701521490.db2.gz CGYJAKOZDUQBPZ-HNNXBMFYSA-N 1 1 303.358 1.600 20 10 DDCDMO CC(=O)C(=O)COC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000808517460 701521491 /nfs/dbraw/zinc/52/14/91/701521491.db2.gz CGYJAKOZDUQBPZ-HNNXBMFYSA-N 1 1 303.358 1.600 20 10 DDCDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815073839 701793808 /nfs/dbraw/zinc/79/38/08/701793808.db2.gz BRSFMLMWNCMOFF-CQSZACIVSA-N 1 1 311.451 1.185 20 10 DDCDMO CCOCCOC[C@@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816591800 702121231 /nfs/dbraw/zinc/12/12/31/702121231.db2.gz OKZFIIWMYQCLLU-NSHDSACASA-N 1 1 321.776 1.688 20 10 DDCDMO C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841064900 702332375 /nfs/dbraw/zinc/33/23/75/702332375.db2.gz VUAZKUZKFYVNGQ-CJNGLKHVSA-N 1 1 307.413 1.750 20 10 DDCDMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841138744 702362436 /nfs/dbraw/zinc/36/24/36/702362436.db2.gz HAXGMXAFIJDGQE-GFCCVEGCSA-N 1 1 304.394 1.150 20 10 DDCDMO CC(C)[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)CO ZINC000817417908 702376303 /nfs/dbraw/zinc/37/63/03/702376303.db2.gz SUZMZNHSCPYLJY-LBPRGKRZSA-N 1 1 318.211 1.718 20 10 DDCDMO CC[C@@H](Cn1cncn1)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942895 702530973 /nfs/dbraw/zinc/53/09/73/702530973.db2.gz RGGWYQHATCKYDO-HOCLYGCPSA-N 1 1 302.426 1.412 20 10 DDCDMO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCNCC2)c2c1c(F)ccc2O ZINC000817946142 702533054 /nfs/dbraw/zinc/53/30/54/702533054.db2.gz SBXQSBGLTRVAHQ-PWSUYJOCSA-N 1 1 307.369 1.101 20 10 DDCDMO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(Cl)cc1O ZINC000841745200 702555623 /nfs/dbraw/zinc/55/56/23/702555623.db2.gz NPADLZMXHMVUCL-JTQLQIEISA-N 1 1 312.797 1.978 20 10 DDCDMO COC(=O)[C@H]1C[NH2+]CCCN1Cc1c(O)ccc(Cl)c1F ZINC000843123705 702824531 /nfs/dbraw/zinc/82/45/31/702824531.db2.gz OHLWMZIAWUYHJD-LLVKDONJSA-N 1 1 316.760 1.522 20 10 DDCDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2O)C1 ZINC000843432737 702880428 /nfs/dbraw/zinc/88/04/28/702880428.db2.gz OSWIKWLVIGHDSJ-CYBMUJFWSA-N 1 1 302.296 1.893 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[NH2+][C@](C)(CN)C2CC2)cc1 ZINC000844220687 702995344 /nfs/dbraw/zinc/99/53/44/702995344.db2.gz JPIHUVGPCAZFPF-QGZVFWFLSA-N 1 1 304.438 1.086 20 10 DDCDMO CCc1cccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)c1O ZINC000848894011 703599338 /nfs/dbraw/zinc/59/93/38/703599338.db2.gz BKTAYNCRHMGGJL-INIZCTEOSA-N 1 1 319.449 1.632 20 10 DDCDMO CCn1ncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000850406904 703729949 /nfs/dbraw/zinc/72/99/49/703729949.db2.gz YNTHNIFLTNVMLD-UHFFFAOYSA-N 1 1 315.421 1.549 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000852668033 704096840 /nfs/dbraw/zinc/09/68/40/704096840.db2.gz UNQUWXGDHBFULU-HZPDHXFCSA-N 1 1 317.433 1.337 20 10 DDCDMO CCCCOc1ccccc1NC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819419734 704123072 /nfs/dbraw/zinc/12/30/72/704123072.db2.gz IBYKTYFTXKOVBO-MRXNPFEDSA-N 1 1 321.465 1.886 20 10 DDCDMO C[C@@H]1C[C@H](CO)CC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000860085882 705093863 /nfs/dbraw/zinc/09/38/63/705093863.db2.gz AUEUVUVKQWXSCF-GDBMZVCRSA-N 1 1 319.449 1.462 20 10 DDCDMO COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000824209243 705399813 /nfs/dbraw/zinc/39/98/13/705399813.db2.gz ZGBYCOPCRFDGMH-HNNXBMFYSA-N 1 1 319.449 1.932 20 10 DDCDMO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824937833 705561834 /nfs/dbraw/zinc/56/18/34/705561834.db2.gz DOVFOILQLADYDD-LLVKDONJSA-N 1 1 318.826 1.478 20 10 DDCDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824937833 705561838 /nfs/dbraw/zinc/56/18/38/705561838.db2.gz DOVFOILQLADYDD-LLVKDONJSA-N 1 1 318.826 1.478 20 10 DDCDMO O=S1(=O)CC[C@@]2(C1)CCC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000824983598 705572368 /nfs/dbraw/zinc/57/23/68/705572368.db2.gz ZIUGAAVSFRLLHS-HNNXBMFYSA-N 1 1 313.394 1.932 20 10 DDCDMO O=S1(=O)CC[C@@]2(C1)CCC[N@H+](Cc1cc(F)ccc1O)C2 ZINC000824983598 705572373 /nfs/dbraw/zinc/57/23/73/705572373.db2.gz ZIUGAAVSFRLLHS-HNNXBMFYSA-N 1 1 313.394 1.932 20 10 DDCDMO CO[C@@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)C[C@H]1O ZINC000825016350 705578288 /nfs/dbraw/zinc/57/82/88/705578288.db2.gz BJNLMHOMKGLXKO-VXGBXAGGSA-N 1 1 316.195 1.655 20 10 DDCDMO COc1c(O)c(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000827151995 705940978 /nfs/dbraw/zinc/94/09/78/705940978.db2.gz OSGDSWXGYGUHIA-NXEZZACHSA-N 1 1 310.350 1.758 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c1 ZINC000827544963 706023405 /nfs/dbraw/zinc/02/34/05/706023405.db2.gz POHJSOLGCZUMHW-CYBMUJFWSA-N 1 1 307.394 1.589 20 10 DDCDMO COc1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c(O)c1 ZINC000877494390 706123133 /nfs/dbraw/zinc/12/31/33/706123133.db2.gz VXZBWLXTXHCBEJ-UHFFFAOYSA-N 1 1 308.422 1.726 20 10 DDCDMO CC(C)(C[NH2+]Cc1cc(Cl)c(F)cc1O)CS(N)(=O)=O ZINC000877735063 706193572 /nfs/dbraw/zinc/19/35/72/706193572.db2.gz NOKIXNKUOARVJN-UHFFFAOYSA-N 1 1 324.805 1.589 20 10 DDCDMO Cc1cccc(O)c1C[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000877815869 706224027 /nfs/dbraw/zinc/22/40/27/706224027.db2.gz UPFVTFFCFPFPKF-IYBDPMFKSA-N 1 1 309.431 1.957 20 10 DDCDMO Cc1cc(C(=O)Cn2nnnc2C[NH3+])c(C)n1-c1cccc(C)c1 ZINC000830463351 706521887 /nfs/dbraw/zinc/52/18/87/706521887.db2.gz QDHZFQMARRQOLS-UHFFFAOYSA-N 1 1 324.388 1.731 20 10 DDCDMO CCN1C[C@@H]([NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1=O ZINC000834892411 707146466 /nfs/dbraw/zinc/14/64/66/707146466.db2.gz VHMLGHKJPQGVJG-PWSUYJOCSA-N 1 1 306.362 1.450 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccnn2C)c1 ZINC000927128465 712945188 /nfs/dbraw/zinc/94/51/88/712945188.db2.gz CTKXBCZJGRSECN-MEBBXXQBSA-N 1 1 319.361 1.297 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](C(F)F)CC1)[C@H](O)CO2 ZINC000872681182 707556865 /nfs/dbraw/zinc/55/68/65/707556865.db2.gz ONWWFSHIAJXUNX-CHWSQXEVSA-N 1 1 315.316 1.674 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cnc(N)cn2)cc1 ZINC000873214046 707771524 /nfs/dbraw/zinc/77/15/24/707771524.db2.gz VTUGWLJSGYQZFD-UHFFFAOYSA-N 1 1 301.394 1.636 20 10 DDCDMO CN(CC[N@@H+](C)CCO)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000912599153 713042445 /nfs/dbraw/zinc/04/24/45/713042445.db2.gz JQXNRPUCVDRAOA-UHFFFAOYSA-N 1 1 324.402 1.309 20 10 DDCDMO Cc1ccc(C(=O)NC(C)(C)CC[NH+]2CCOCC2)c(O)c1O ZINC000912951363 713132928 /nfs/dbraw/zinc/13/29/28/713132928.db2.gz LTNIQDUTUCFCDR-UHFFFAOYSA-N 1 1 322.405 1.637 20 10 DDCDMO COC(=O)c1cnc(C[NH2+]Cc2cc(OC)ccc2O)s1 ZINC000894259980 711041295 /nfs/dbraw/zinc/04/12/95/711041295.db2.gz KEDSTOGQKFDFLQ-UHFFFAOYSA-N 1 1 308.359 1.934 20 10 DDCDMO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(Br)cc1O ZINC000895326369 711484948 /nfs/dbraw/zinc/48/49/48/711484948.db2.gz XAFBHUUVEIKNKI-WCQYABFASA-N 1 1 316.195 1.472 20 10 DDCDMO C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000932349526 714316320 /nfs/dbraw/zinc/31/63/20/714316320.db2.gz GJLMKJKJXVZOKN-OAHLLOKOSA-N 1 1 319.449 1.822 20 10 DDCDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000932349526 714316324 /nfs/dbraw/zinc/31/63/24/714316324.db2.gz GJLMKJKJXVZOKN-OAHLLOKOSA-N 1 1 319.449 1.822 20 10 DDCDMO CCn1cc(C[NH2+]Cc2cc(F)cc(F)c2O)c(=O)[nH]c1=O ZINC001184410644 744039478 /nfs/dbraw/zinc/03/94/78/744039478.db2.gz KTBXFWLKPUFJNN-UHFFFAOYSA-N 1 1 311.288 1.242 20 10 DDCDMO C[C@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)CC[C@@]1(O)C(F)(F)F ZINC001144504105 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CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000181560390 520045665 /nfs/dbraw/zinc/04/56/65/520045665.db2.gz LYQDNGWVKKYXNH-LBPRGKRZSA-N 1 1 302.371 1.045 20 10 DDCDMO CC[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000131443410 520339956 /nfs/dbraw/zinc/33/99/56/520339956.db2.gz GKDRNYMHEQLMFE-UHFFFAOYSA-N 1 1 317.433 1.624 20 10 DDCDMO CCN1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)CC1=O ZINC000189211906 521611894 /nfs/dbraw/zinc/61/18/94/521611894.db2.gz XWVRWWPQLUUVSX-UHFFFAOYSA-N 1 1 308.378 1.464 20 10 DDCDMO CCN1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)CC1=O ZINC000189211906 521611897 /nfs/dbraw/zinc/61/18/97/521611897.db2.gz XWVRWWPQLUUVSX-UHFFFAOYSA-N 1 1 308.378 1.464 20 10 DDCDMO COc1ccc(O)c(CN2CCC[N@@H+](CC(C)(C)O)CC2)c1 ZINC000364121626 524738221 /nfs/dbraw/zinc/73/82/21/524738221.db2.gz QVVLFXDOKYYJRJ-UHFFFAOYSA-N 1 1 308.422 1.679 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]2CCCN(CC(C)(C)O)CC2)c1 ZINC000364121626 524738227 /nfs/dbraw/zinc/73/82/27/524738227.db2.gz QVVLFXDOKYYJRJ-UHFFFAOYSA-N 1 1 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10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c(OC)c1 ZINC001138390219 860085159 /nfs/dbraw/zinc/08/51/59/860085159.db2.gz PKZOAWARDFLMEH-CQSZACIVSA-N 1 1 305.422 1.849 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c(OC)c1 ZINC001138386781 860085366 /nfs/dbraw/zinc/08/53/66/860085366.db2.gz WXEPJIGVZZIESU-DOTOQJQBSA-N 1 1 322.449 1.717 20 10 DDCDMO CC[NH+]1CCN(c2ccc(CN3CC(C)(CO)C3)cc2)CC1 ZINC001140302401 860615548 /nfs/dbraw/zinc/61/55/48/860615548.db2.gz RBOVDCKWLUDANW-UHFFFAOYSA-N 1 1 303.450 1.643 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@H](N(C)C(C)=O)C2)c(OC)c1 ZINC001141030765 860767273 /nfs/dbraw/zinc/76/72/73/860767273.db2.gz KFUJCDVRJXJDQX-LBPRGKRZSA-N 1 1 308.378 1.462 20 10 DDCDMO COC(=O)CC[N@@H+](Cc1c(O)cc(OC)cc1OC)C1CC1 ZINC001141030776 860767430 /nfs/dbraw/zinc/76/74/30/860767430.db2.gz KSAWZCJNNHOFKA-UHFFFAOYSA-N 1 1 309.362 1.937 20 10 DDCDMO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141142997 860793627 /nfs/dbraw/zinc/79/36/27/860793627.db2.gz JKGLBRFSPHBJFR-OAHLLOKOSA-N 1 1 317.433 1.815 20 10 DDCDMO CN1CCOc2cc(C[N@H+]3CCC[C@@H](n4cncn4)C3)ccc21 ZINC001141144079 860794957 /nfs/dbraw/zinc/79/49/57/860794957.db2.gz VWXSFKRCTPNBPL-OAHLLOKOSA-N 1 1 313.405 1.944 20 10 DDCDMO CCOC[C@@H]1C[N@H+](Cc2cc(O)ccc2O)Cc2c1cnn2C ZINC001141157917 860798150 /nfs/dbraw/zinc/79/81/50/860798150.db2.gz QGUIJGKONLZLPI-ZDUSSCGKSA-N 1 1 317.389 1.967 20 10 DDCDMO CCOC[C@@H]1C[N@@H+](Cc2cc(O)ccc2O)Cc2c1cnn2C ZINC001141157917 860798158 /nfs/dbraw/zinc/79/81/58/860798158.db2.gz QGUIJGKONLZLPI-ZDUSSCGKSA-N 1 1 317.389 1.967 20 10 DDCDMO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001157434628 863819413 /nfs/dbraw/zinc/81/94/13/863819413.db2.gz PKARBNZEEVJDJI-FFSVYQOJSA-N 1 1 317.433 1.438 20 10 DDCDMO CC(C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001337069085 869304953 /nfs/dbraw/zinc/30/49/53/869304953.db2.gz NHJQRVOOPROKGA-INIZCTEOSA-N 1 1 304.438 1.038 20 10 DDCDMO O=C(CC1CC1)N[C@@H]1C[N@H+](Cc2ccccc2O)[C@@H]2COC[C@H]12 ZINC001203552716 870636106 /nfs/dbraw/zinc/63/61/06/870636106.db2.gz RFSVNCVZXYOBJM-BZUAXINKSA-N 1 1 316.401 1.508 20 10 DDCDMO C[C@]1(O)COCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203636267 870681618 /nfs/dbraw/zinc/68/16/18/870681618.db2.gz RTDPRGKXANWXPT-CYBMUJFWSA-N 1 1 316.195 1.738 20 10 DDCDMO C[C@]1(O)COCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC001203636267 870681627 /nfs/dbraw/zinc/68/16/27/870681627.db2.gz RTDPRGKXANWXPT-CYBMUJFWSA-N 1 1 316.195 1.738 20 10 DDCDMO COc1ccc(C[NH+]2CCN(CCC(C)(C)O)CC2)c(O)c1 ZINC001203634472 870687376 /nfs/dbraw/zinc/68/73/76/870687376.db2.gz HSPAQAFTVCXOMV-UHFFFAOYSA-N 1 1 308.422 1.679 20 10 DDCDMO COc1ccc(O)c(C[NH+]2CCN(CCC(C)(C)O)CC2)c1 ZINC001203681016 870709291 /nfs/dbraw/zinc/70/92/91/870709291.db2.gz KPOYMGVHIPVIQK-UHFFFAOYSA-N 1 1 308.422 1.679 20 10 DDCDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001204326533 871057379 /nfs/dbraw/zinc/05/73/79/871057379.db2.gz ZGJZOLWUXJHAMX-SFHVURJKSA-N 1 1 301.434 1.803 20 10 DDCDMO CN(C)c1ccc(CNC(=O)N[C@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC001346655617 873837407 /nfs/dbraw/zinc/83/74/07/873837407.db2.gz QHPCOJXUKWYMGD-UAGQMJEPSA-N 1 1 316.449 1.892 20 10 DDCDMO C[NH+]1CCN(c2ccc(CNCc3ncc[nH]3)cc2F)CC1 ZINC001349632368 875273913 /nfs/dbraw/zinc/27/39/13/875273913.db2.gz HSEJWXJDPKAFNV-UHFFFAOYSA-N 1 1 303.385 1.590 20 10 DDCDMO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)cc1O ZINC000400168656 876493660 /nfs/dbraw/zinc/49/36/60/876493660.db2.gz ADCFSHCXZUYBMS-GXSJLCMTSA-N 1 1 302.371 1.216 20 10 DDCDMO Cc1cc(CN2CCNC[C@]3(CCCC[NH2+]3)C2)ccc1N(C)C ZINC001222675192 880640972 /nfs/dbraw/zinc/64/09/72/880640972.db2.gz WDPRVXOGAHSWGP-LJQANCHMSA-N 1 1 316.493 1.979 20 10 DDCDMO COc1cccc(C[N@H+]2CC[C@]3(CCC[C@H]3C(N)=O)C2)c1O ZINC001277452359 884410806 /nfs/dbraw/zinc/41/08/06/884410806.db2.gz SLWNUVUQZHOHDA-SUMWQHHRSA-N 1 1 304.390 1.878 20 10 DDCDMO COc1cc(C[N@H+]2CCN(C)c3ncccc3C2)c(O)cc1O ZINC001231637020 885773041 /nfs/dbraw/zinc/77/30/41/885773041.db2.gz YDECOSGCNKQTJD-UHFFFAOYSA-N 1 1 315.373 1.953 20 10 DDCDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(O)cc2O)[C@@H]1C ZINC001231637333 885776548 /nfs/dbraw/zinc/77/65/48/885776548.db2.gz JHFFSTPIVMMQBQ-ZYHUDNBSSA-N 1 1 309.362 1.880 20 10 DDCDMO COc1cc(N(C)C)ccc1C[N@@H+](C)CCN1CCOCC1 ZINC001231847626 885904724 /nfs/dbraw/zinc/90/47/24/885904724.db2.gz APPPNURMBVLHBI-UHFFFAOYSA-N 1 1 307.438 1.525 20 10 DDCDMO COc1cc(N(C)C)ccc1CN1CC([N@@H+](C)[C@@H]2CCOC2)C1 ZINC001231853167 885907258 /nfs/dbraw/zinc/90/72/58/885907258.db2.gz GVIZJMJESMVLTG-MRXNPFEDSA-N 1 1 319.449 1.666 20 10 DDCDMO C[C@@]1(O)COCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451980 887002532 /nfs/dbraw/zinc/00/25/32/887002532.db2.gz GZARSODAUOWULC-ZDUSSCGKSA-N 1 1 305.296 1.994 20 10 DDCDMO C[N@H+](Cc1cc(O)c(O)cc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC001233485844 887017467 /nfs/dbraw/zinc/01/74/67/887017467.db2.gz NDHDUGAMJVZZTL-UHFFFAOYSA-N 1 1 324.377 1.855 20 10 DDCDMO C[N@@H+](Cc1cc(O)c(O)cc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC001233485844 887017478 /nfs/dbraw/zinc/01/74/78/887017478.db2.gz NDHDUGAMJVZZTL-UHFFFAOYSA-N 1 1 324.377 1.855 20 10 DDCDMO O=C1CCC[C@@]2(CCC[N@H+](Cc3cc(O)c(O)cc3O)C2)N1 ZINC001233484752 887019709 /nfs/dbraw/zinc/01/97/09/887019709.db2.gz WFJKSPHFXTXZPN-INIZCTEOSA-N 1 1 306.362 1.438 20 10 DDCDMO CCN(CC)c1ccc(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235993503 889050490 /nfs/dbraw/zinc/05/04/90/889050490.db2.gz QFGWOOBFSBBSEL-BYICEURKSA-N 1 1 303.450 1.938 20 10 DDCDMO Oc1c(F)cc(Br)cc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236284536 889162508 /nfs/dbraw/zinc/16/25/08/889162508.db2.gz AGEPRTXLPIJGQK-KWQFWETISA-N 1 1 301.159 1.697 20 10 DDCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](N)[C@@H](C(=O)OC)C2)c(O)c1 ZINC001236349919 889205088 /nfs/dbraw/zinc/20/50/88/889205088.db2.gz QIQSFQIFYQRPLQ-LSDHHAIUSA-N 1 1 321.421 1.171 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](N)[C@@H](C(=O)OC)C2)c(O)c1 ZINC001236349919 889205102 /nfs/dbraw/zinc/20/51/02/889205102.db2.gz QIQSFQIFYQRPLQ-LSDHHAIUSA-N 1 1 321.421 1.171 20 10 DDCDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CC[C@@H]1O ZINC001236931704 889427058 /nfs/dbraw/zinc/42/70/58/889427058.db2.gz KZTNREIJMRPUHT-KDOFPFPSSA-N 1 1 321.440 1.780 20 10 DDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CC[C@@H]1O ZINC001236931704 889427068 /nfs/dbraw/zinc/42/70/68/889427068.db2.gz KZTNREIJMRPUHT-KDOFPFPSSA-N 1 1 321.440 1.780 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3CO)c(F)c2)CC1 ZINC001236935990 889430554 /nfs/dbraw/zinc/43/05/54/889430554.db2.gz NFPWYFGAGDXCDP-INIZCTEOSA-N 1 1 307.413 1.534 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H]3CO)c(F)c2)CC1 ZINC001236935990 889430566 /nfs/dbraw/zinc/43/05/66/889430566.db2.gz NFPWYFGAGDXCDP-INIZCTEOSA-N 1 1 307.413 1.534 20 10 DDCDMO CC(C)c1ccc(C[N@@H+](C)CC(=O)N2CCOCC2)c(O)c1 ZINC001237045344 889478452 /nfs/dbraw/zinc/47/84/52/889478452.db2.gz JECXZPKUGLHBBK-UHFFFAOYSA-N 1 1 306.406 1.806 20 10 DDCDMO COC[C@@H]1CC[N@@H+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237214376 889547828 /nfs/dbraw/zinc/54/78/28/889547828.db2.gz FZUBPMQFWJRKDU-INIZCTEOSA-N 1 1 324.446 1.142 20 10 DDCDMO COC[C@@H]1CC[N@H+]1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237214376 889547840 /nfs/dbraw/zinc/54/78/40/889547840.db2.gz FZUBPMQFWJRKDU-INIZCTEOSA-N 1 1 324.446 1.142 20 10 DDCDMO O=S1(=O)CCN(c2ccc(C[NH+]3CC4(CCC4)C3)cc2)CC1 ZINC001237209860 889548895 /nfs/dbraw/zinc/54/88/95/889548895.db2.gz YRZYOGLTPNMUGC-UHFFFAOYSA-N 1 1 320.458 1.907 20 10 DDCDMO C[NH+](C)C[C@@H]1COCCN1Cc1cc(Cl)cc(F)c1O ZINC001237621631 889762363 /nfs/dbraw/zinc/76/23/63/889762363.db2.gz DGENKFICWKIVIG-GFCCVEGCSA-N 1 1 302.777 1.947 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2O)CC12CC2 ZINC001237675754 889797160 /nfs/dbraw/zinc/79/71/60/889797160.db2.gz AJHHHDYKRHELHL-ZDUSSCGKSA-N 1 1 321.373 1.794 20 10 DDCDMO COc1cc(CN2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c(O)c(OC)c1 ZINC001237680591 889802092 /nfs/dbraw/zinc/80/20/92/889802092.db2.gz KPLWSQUNBZRLDR-DOMZBBRYSA-N 1 1 306.406 1.935 20 10 DDCDMO COc1cc(C[N@@H+]2C[C@H]3CCCN(C)[C@H]3C2)c(O)c(OC)c1 ZINC001237680591 889802101 /nfs/dbraw/zinc/80/21/01/889802101.db2.gz KPLWSQUNBZRLDR-DOMZBBRYSA-N 1 1 306.406 1.935 20 10 DDCDMO COc1cc(C[N@H+]2C[C@H]3CCCN(C)[C@H]3C2)c(O)c(OC)c1 ZINC001237680591 889802111 /nfs/dbraw/zinc/80/21/11/889802111.db2.gz KPLWSQUNBZRLDR-DOMZBBRYSA-N 1 1 306.406 1.935 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c(O)c1 ZINC001249177549 893854857 /nfs/dbraw/zinc/85/48/57/893854857.db2.gz DBCHQEAPPJFFER-CJNGLKHVSA-N 1 1 305.374 1.719 20 10 DDCDMO COC(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001258351495 898147644 /nfs/dbraw/zinc/14/76/44/898147644.db2.gz QRTKAXNMCYAFMX-OAHLLOKOSA-N 1 1 319.449 1.870 20 10 DDCDMO C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)[O-] ZINC001261558496 899638703 /nfs/dbraw/zinc/63/87/03/899638703.db2.gz IJHOVZFLXAJUMF-LBPRGKRZSA-N 1 1 309.385 1.388 20 10 DDCDMO CCN1CCN(c2ccc(CNC(=O)[C@@H](C)C[NH3+])cc2F)CC1 ZINC000285874859 131207386 /nfs/dbraw/zinc/20/73/86/131207386.db2.gz BRDWOUNNXVYOSC-ZDUSSCGKSA-N 1 1 322.428 1.179 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)c1 ZINC000273542163 292014264 /nfs/dbraw/zinc/01/42/64/292014264.db2.gz YOYGVZOCZZRPAN-IINYFYTJSA-N 1 1 319.361 1.297 20 10 DDCDMO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)CC2 ZINC000186102731 407577131 /nfs/dbraw/zinc/57/71/31/407577131.db2.gz ICYBMNLVEIYSBI-CMPLNLGQSA-N 1 1 320.368 1.935 20 10 DDCDMO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccccc2O)CC1 ZINC000179571085 407806137 /nfs/dbraw/zinc/80/61/37/407806137.db2.gz AXRMZGXSRMYSSC-QGZVFWFLSA-N 1 1 303.450 1.994 20 10 DDCDMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2ccccc2O)CC1 ZINC000179571085 407806145 /nfs/dbraw/zinc/80/61/45/407806145.db2.gz AXRMZGXSRMYSSC-QGZVFWFLSA-N 1 1 303.450 1.994 20 10 DDCDMO C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153459138 407828462 /nfs/dbraw/zinc/82/84/62/407828462.db2.gz LLVFMWGLKNXDCZ-CQSZACIVSA-N 1 1 305.422 1.432 20 10 DDCDMO COc1c(O)c(C[NH2+][C@H](C)[C@H](CO)SC)ccc1[N+](=O)[O-] ZINC000278549172 409085736 /nfs/dbraw/zinc/08/57/36/409085736.db2.gz YWDGLSSFWHXBMZ-KCJUWKMLSA-N 1 1 316.379 1.511 20 10 DDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@H](C)[C@H]1C)cc2=O ZINC000293382450 409102834 /nfs/dbraw/zinc/10/28/34/409102834.db2.gz JXVSUCVNHAPIRH-VHSXEESVSA-N 1 1 304.350 1.452 20 10 DDCDMO COc1c(O)c(C[NH2+]CCc2nccnc2C)ccc1[N+](=O)[O-] ZINC000293579974 409141932 /nfs/dbraw/zinc/14/19/32/409141932.db2.gz HQQNZCNNRBJRIJ-UHFFFAOYSA-N 1 1 318.333 1.740 20 10 DDCDMO COCCOC[C@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000295638497 409359795 /nfs/dbraw/zinc/35/97/95/409359795.db2.gz YDAZPQMFLKSWMJ-GOSISDBHSA-N 1 1 324.465 1.987 20 10 DDCDMO COC(=O)c1cnc(SC[C@H](O)C[N@@H+](C)C2CC2)s1 ZINC000295795768 409371994 /nfs/dbraw/zinc/37/19/94/409371994.db2.gz AUNRZRRYYRMZHR-SECBINFHSA-N 1 1 302.421 1.477 20 10 DDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC=C(C)C1)cc2=O ZINC000280716901 409423014 /nfs/dbraw/zinc/42/30/14/409423014.db2.gz FDMSHCSPMBZBBP-UHFFFAOYSA-N 1 1 316.361 1.764 20 10 DDCDMO C[C@H]1COCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000374351118 418521088 /nfs/dbraw/zinc/52/10/88/418521088.db2.gz MCVVSEYZXOPCCT-CQSZACIVSA-N 1 1 305.422 1.337 20 10 DDCDMO C[C@H]1COCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000374351118 418521090 /nfs/dbraw/zinc/52/10/90/418521090.db2.gz MCVVSEYZXOPCCT-CQSZACIVSA-N 1 1 305.422 1.337 20 10 DDCDMO CCOc1ccc(O)c(CN2CCC[N@H+]([C@@H](C)CO)CC2)c1 ZINC000375486144 418647839 /nfs/dbraw/zinc/64/78/39/418647839.db2.gz SCVNBDBCKXTWDI-AWEZNQCLSA-N 1 1 308.422 1.679 20 10 DDCDMO CCOc1ccc(O)c(C[N@@H+]2CCCN([C@@H](C)CO)CC2)c1 ZINC000375486144 418647842 /nfs/dbraw/zinc/64/78/42/418647842.db2.gz SCVNBDBCKXTWDI-AWEZNQCLSA-N 1 1 308.422 1.679 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2CCCN([C@@H](C)CO)CC2)c1 ZINC000375486144 418647844 /nfs/dbraw/zinc/64/78/44/418647844.db2.gz SCVNBDBCKXTWDI-AWEZNQCLSA-N 1 1 308.422 1.679 20 10 DDCDMO Cc1ccc(O)c(C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1 ZINC000375403157 418634788 /nfs/dbraw/zinc/63/47/88/418634788.db2.gz UQCORBYPOUNKGV-GHMZBOCLSA-N 1 1 302.296 1.796 20 10 DDCDMO CN1CCC[C@]2(CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)C1=O ZINC000368718827 418724775 /nfs/dbraw/zinc/72/47/75/418724775.db2.gz KVRCAPSKUNYVSK-QGZVFWFLSA-N 1 1 318.373 1.565 20 10 DDCDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000368976635 418728136 /nfs/dbraw/zinc/72/81/36/418728136.db2.gz XXNVMHYLQGHNAJ-VPJDZLOFSA-N 1 1 304.346 1.207 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 ZINC000373215655 418932622 /nfs/dbraw/zinc/93/26/22/418932622.db2.gz JOEJRTDGWVPILA-IUODEOHRSA-N 1 1 304.390 1.891 20 10 DDCDMO COc1ccc2c(c1)CCN2C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662422926 424627005 /nfs/dbraw/zinc/62/70/05/424627005.db2.gz RWSGBJMWEUCSCJ-GFCCVEGCSA-N 1 1 312.373 1.698 20 10 DDCDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299730499 533754926 /nfs/dbraw/zinc/75/49/26/533754926.db2.gz WSJKDXPRIUIOIN-PBHICJAKSA-N 1 1 319.449 1.604 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000267845267 522189412 /nfs/dbraw/zinc/18/94/12/522189412.db2.gz AWBSNNODHLTJHC-MRXNPFEDSA-N 1 1 305.422 1.216 20 10 DDCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1O ZINC000180334480 524866711 /nfs/dbraw/zinc/86/67/11/524866711.db2.gz DIUVGOTWEMAOJA-GFCCVEGCSA-N 1 1 318.826 1.478 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H]([C@H]3CCCO3)C1)OCO2 ZINC000365997944 526336478 /nfs/dbraw/zinc/33/64/78/526336478.db2.gz ZQMAASHUANVGMX-CJNGLKHVSA-N 1 1 307.346 1.501 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H]([C@H]3CCCO3)C1)OCO2 ZINC000365997944 526336481 /nfs/dbraw/zinc/33/64/81/526336481.db2.gz ZQMAASHUANVGMX-CJNGLKHVSA-N 1 1 307.346 1.501 20 10 DDCDMO CC(C)NC(=O)C[NH2+]Cc1cccc(Br)c1O ZINC000042411939 696148706 /nfs/dbraw/zinc/14/87/06/696148706.db2.gz MFNXMEOWQQIVHG-UHFFFAOYSA-N 1 1 301.184 1.769 20 10 DDCDMO CN1CC[NH+](C(C)(C)CNC(=O)NCc2ccccc2O)CC1 ZINC000748458744 700119304 /nfs/dbraw/zinc/11/93/04/700119304.db2.gz BMUCVHCKTASNBU-UHFFFAOYSA-N 1 1 320.437 1.217 20 10 DDCDMO 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DDCDMO OCC[C@H]1CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877435287 706106306 /nfs/dbraw/zinc/10/63/06/706106306.db2.gz PFCWSIOCKAGDFX-MRXNPFEDSA-N 1 1 304.434 1.995 20 10 DDCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1O ZINC000877487453 706121369 /nfs/dbraw/zinc/12/13/69/706121369.db2.gz WOPYEPZMCFUOCR-QGZVFWFLSA-N 1 1 304.434 1.850 20 10 DDCDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877541614 706136875 /nfs/dbraw/zinc/13/68/75/706136875.db2.gz JXRLSVHJKLLQDB-KRWDZBQOSA-N 1 1 304.434 1.993 20 10 DDCDMO Cc1ccc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c(O)c1 ZINC000877551855 706140562 /nfs/dbraw/zinc/14/05/62/706140562.db2.gz LUYFXODPILJZTO-OAHLLOKOSA-N 1 1 302.378 1.622 20 10 DDCDMO Cc1cccc(O)c1C[NH+]1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000877574112 706146583 /nfs/dbraw/zinc/14/65/83/706146583.db2.gz YXTFPNKXNFAGFO-HNNXBMFYSA-N 1 1 317.433 1.487 20 10 DDCDMO COc1c(O)c(CN(C)[C@@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000877705987 706183516 /nfs/dbraw/zinc/18/35/16/706183516.db2.gz 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KAQNTCVEHNDCAD-MRXNPFEDSA-N 1 1 318.417 1.914 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)c(O)c1 ZINC001249177496 893852581 /nfs/dbraw/zinc/85/25/81/893852581.db2.gz AVRQTHCLKJQKFH-SJKOYZFVSA-N 1 1 307.390 1.701 20 10 DDCDMO COC(=O)Cc1ccc(C[N@@H+](C)CCC2OCCO2)c(O)c1 ZINC001249208327 893868879 /nfs/dbraw/zinc/86/88/79/893868879.db2.gz RXUFDSCMCPPADY-UHFFFAOYSA-N 1 1 309.362 1.303 20 10 DDCDMO CCOC(=O)CCCOc1ccc(C[N@H+](C)C2COC2)c(O)c1 ZINC001249737220 894112605 /nfs/dbraw/zinc/11/26/05/894112605.db2.gz GNUGEZTXCHDDRS-UHFFFAOYSA-N 1 1 323.389 1.945 20 10 DDCDMO CCOC(=O)CCCOc1ccc(C[N@@H+](C)C2COC2)c(O)c1 ZINC001249737220 894112610 /nfs/dbraw/zinc/11/26/10/894112610.db2.gz GNUGEZTXCHDDRS-UHFFFAOYSA-N 1 1 323.389 1.945 20 10 DDCDMO Oc1cccc2c1C[N@@H+](C[C@H](O)COCc1ccco1)CC2 ZINC001252639715 895332305 /nfs/dbraw/zinc/33/23/05/895332305.db2.gz FSXVYHOTJXNVAE-AWEZNQCLSA-N 1 1 303.358 1.921 20 10 DDCDMO CCOC1CC(O)(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000278508111 539280865 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C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000284875462 131118248 /nfs/dbraw/zinc/11/82/48/131118248.db2.gz RZRUKMUPFLZLPP-WBMJQRKESA-N 1 1 303.406 1.062 20 10 DDCDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000276082248 408771429 /nfs/dbraw/zinc/77/14/29/408771429.db2.gz BNBLQHHRIXARKA-XAGWURHQSA-N 1 1 319.357 1.894 20 10 DDCDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000276082248 408771434 /nfs/dbraw/zinc/77/14/34/408771434.db2.gz BNBLQHHRIXARKA-XAGWURHQSA-N 1 1 319.357 1.894 20 10 DDCDMO CCOc1cccc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000292701275 409039823 /nfs/dbraw/zinc/03/98/23/409039823.db2.gz CJDMKLSWJRPYQG-GFCCVEGCSA-N 1 1 313.419 1.657 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)c1 ZINC000293934802 409210567 /nfs/dbraw/zinc/21/05/67/409210567.db2.gz NSTCZZLOUNJYRC-LBPRGKRZSA-N 1 1 313.419 1.657 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)c1 ZINC000293934802 409210570 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CCOc1cccc(C[N@H+]2CCOC[C@@H]2CC(=O)OC)c1O ZINC000377868624 418716226 /nfs/dbraw/zinc/71/62/26/418716226.db2.gz JWGKPWFHQZQBTP-ZDUSSCGKSA-N 1 1 309.362 1.555 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)cc1OC ZINC000371432373 418791513 /nfs/dbraw/zinc/79/15/13/418791513.db2.gz RJKMGWOKVDDSJO-NSHDSACASA-N 1 1 318.377 1.907 20 10 DDCDMO CC[C@H](c1ccccc1O)[N@H+]1CCN2C(=O)N(C)C(=O)[C@H]2C1 ZINC000372596239 418885705 /nfs/dbraw/zinc/88/57/05/418885705.db2.gz SANJGCFVNVYWGT-CHWSQXEVSA-N 1 1 303.362 1.422 20 10 DDCDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000365895177 418920283 /nfs/dbraw/zinc/92/02/83/418920283.db2.gz LLLGVTBGMYECTQ-AAEUAGOBSA-N 1 1 315.373 1.919 20 10 DDCDMO CCOc1ccc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(O)c1 ZINC000529668304 421551310 /nfs/dbraw/zinc/55/13/10/421551310.db2.gz ILZWZMMIQKHBGY-CALCHBBNSA-N 1 1 309.406 1.604 20 10 DDCDMO CCOC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000530105584 421578791 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1 1 309.410 1.930 20 10 DDCDMO CC[NH+]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000125399689 696752642 /nfs/dbraw/zinc/75/26/42/696752642.db2.gz KHMGLTAGMYUZSB-UHFFFAOYSA-N 1 1 316.449 1.916 20 10 DDCDMO C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000129899822 696792746 /nfs/dbraw/zinc/79/27/46/696792746.db2.gz SWJVRPPEXPOTGW-CJNGLKHVSA-N 1 1 320.437 1.271 20 10 DDCDMO C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000129899822 696792747 /nfs/dbraw/zinc/79/27/47/696792747.db2.gz SWJVRPPEXPOTGW-CJNGLKHVSA-N 1 1 320.437 1.271 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]CC3([S@@](C)=O)CC3)cc2)CC1 ZINC000799348932 700138256 /nfs/dbraw/zinc/13/82/56/700138256.db2.gz YOEBVVZJQNNZLN-JOCHJYFZSA-N 1 1 321.490 1.439 20 10 DDCDMO CCOC(=O)N1CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000159467019 697310101 /nfs/dbraw/zinc/31/01/01/697310101.db2.gz LPBDDTVRRFXFRR-UHFFFAOYSA-N 1 1 308.378 1.983 20 10 DDCDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180801394 697452256 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COc1ccc(CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c(O)c1 ZINC000793043276 699730062 /nfs/dbraw/zinc/73/00/62/699730062.db2.gz LGJGASCSKCLNND-LBPRGKRZSA-N 1 1 319.405 1.850 20 10 DDCDMO CCC[N@@H+](C)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000754026479 700477205 /nfs/dbraw/zinc/47/72/05/700477205.db2.gz SPBHTEHAUZWYCH-QGZVFWFLSA-N 1 1 321.465 1.520 20 10 DDCDMO CCS(=O)(=O)CC[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000758389552 700702685 /nfs/dbraw/zinc/70/26/85/700702685.db2.gz XLGABADMNZIECB-UHFFFAOYSA-N 1 1 308.403 1.807 20 10 DDCDMO CCS(=O)(=O)CC[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000758389552 700702687 /nfs/dbraw/zinc/70/26/87/700702687.db2.gz XLGABADMNZIECB-UHFFFAOYSA-N 1 1 308.403 1.807 20 10 DDCDMO O=C1OCC[C@H]2C[N@@H+](Cc3c(O)ccc4ccncc43)CCN12 ZINC000763321656 700934236 /nfs/dbraw/zinc/93/42/36/700934236.db2.gz QUPVVGSJAPNZCZ-ZDUSSCGKSA-N 1 1 313.357 1.967 20 10 DDCDMO CCOc1ccc(C[N@@H+](C)CC(=O)N2CCOCC2)c(O)c1 ZINC000768185419 701162695 /nfs/dbraw/zinc/16/26/95/701162695.db2.gz 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COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1 ZINC000273587917 536793534 /nfs/dbraw/zinc/79/35/34/536793534.db2.gz OHRDVRVZJRRCEE-BONVTDFDSA-N 1 1 319.361 1.297 20 10 DDCDMO C[C@H](CNC(=O)NCc1ccccc1O)CN1CC[NH+](C)CC1 ZINC000745789857 699994080 /nfs/dbraw/zinc/99/40/80/699994080.db2.gz REXTZYRRLNGFSQ-CQSZACIVSA-N 1 1 320.437 1.075 20 10 DDCDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000092304551 696593680 /nfs/dbraw/zinc/59/36/80/696593680.db2.gz IHXDDENPEGCBGG-OAHLLOKOSA-N 1 1 324.446 1.395 20 10 DDCDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093360782 696600640 /nfs/dbraw/zinc/60/06/40/696600640.db2.gz HIQCIUMYQSPSMX-MRXNPFEDSA-N 1 1 317.433 1.481 20 10 DDCDMO NC(=O)C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000158615465 696992310 /nfs/dbraw/zinc/99/23/10/696992310.db2.gz NOUFRNGNKHNQKC-UHFFFAOYSA-N 1 1 313.195 1.852 20 10 DDCDMO COc1ccc(O)c(C[NH2+][C@H](C)CCN2CCN(C)CC2)c1 ZINC000186595477 697535225 /nfs/dbraw/zinc/53/52/25/697535225.db2.gz JIDPJFQFSFITDZ-CQSZACIVSA-N 1 1 307.438 1.516 20 10 DDCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)cc1 ZINC000773775213 697803095 /nfs/dbraw/zinc/80/30/95/697803095.db2.gz XMTHWXSUIFYLSU-HNNXBMFYSA-N 1 1 311.451 1.396 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+][C@@H](CO)C(C)(C)C)cc2)CC1 ZINC000775200100 697970726 /nfs/dbraw/zinc/97/07/26/697970726.db2.gz MSUQGOLFTBFXPZ-KRWDZBQOSA-N 1 1 305.466 1.935 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)c1 ZINC000800532945 700231231 /nfs/dbraw/zinc/23/12/31/700231231.db2.gz ASSLCENFLNHPIL-AWEZNQCLSA-N 1 1 313.419 1.800 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)C[C@@H](O)C2CC2)cc1 ZINC000305706935 698650253 /nfs/dbraw/zinc/65/02/53/698650253.db2.gz FBRLWLJZLRPGNL-MRXNPFEDSA-N 1 1 305.422 1.072 20 10 DDCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@H]1C ZINC000787244263 699199467 /nfs/dbraw/zinc/19/94/67/699199467.db2.gz YDBMXYJCHZOYQZ-DRCTWCGVSA-N 1 1 307.346 1.201 20 10 DDCDMO CN1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2O)C1=O ZINC000708562322 699250373 /nfs/dbraw/zinc/25/03/73/699250373.db2.gz DOVFYNZGYSJPEL-LLVKDONJSA-N 1 1 313.195 1.817 20 10 DDCDMO COC(=O)[C@](C)(O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000788018917 699267655 /nfs/dbraw/zinc/26/76/55/699267655.db2.gz GSOKGQOKQLWYSD-WMLDXEAASA-N 1 1 323.389 1.297 20 10 DDCDMO O=C1CCCN1[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000790458136 699461743 /nfs/dbraw/zinc/46/17/43/699461743.db2.gz ILFQBIPXHSODOD-SWLSCSKDSA-N 1 1 318.373 1.015 20 10 DDCDMO COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000729535076 699481987 /nfs/dbraw/zinc/48/19/87/699481987.db2.gz JGJHYHSWDXZZSP-QWHCGFSZSA-N 1 1 321.421 1.214 20 10 DDCDMO O=C(C[N@H+](Cc1ccccc1O)C1CCCC1)N1CCNC1=O ZINC000732205039 699549959 /nfs/dbraw/zinc/54/99/59/699549959.db2.gz XXGGXBMYYCVZKR-UHFFFAOYSA-N 1 1 317.389 1.689 20 10 DDCDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000733301641 699587777 /nfs/dbraw/zinc/58/77/77/699587777.db2.gz VRLUVTRIZYTRDO-HNNXBMFYSA-N 1 1 324.446 1.395 20 10 DDCDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)N(C)C ZINC000791007672 699606595 /nfs/dbraw/zinc/60/65/95/699606595.db2.gz RCLWOUGOMDCAIN-AWEZNQCLSA-N 1 1 304.438 1.005 20 10 DDCDMO O=C(CC[NH+]1CCOCC1)NCCCSc1nccs1 ZINC000733973773 699629886 /nfs/dbraw/zinc/62/98/86/699629886.db2.gz WMYKLBGYZDGYPX-UHFFFAOYSA-N 1 1 315.464 1.464 20 10 DDCDMO CCN1CC[NH+](CCC(=O)NCc2ccc(OC)cc2O)CC1 ZINC000794379005 699805998 /nfs/dbraw/zinc/80/59/98/699805998.db2.gz LSQBLQOTLIWGGG-UHFFFAOYSA-N 1 1 321.421 1.045 20 10 DDCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H](C2CC2)O1 ZINC000794653002 699821438 /nfs/dbraw/zinc/82/14/38/699821438.db2.gz KOZUJYMVTZWODS-IGGJQXEISA-N 1 1 305.374 1.817 20 10 DDCDMO CC(=O)c1cc(F)cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c1O ZINC000796577646 699940228 /nfs/dbraw/zinc/94/02/28/699940228.db2.gz HPJKQNWMTDFRHB-IAQYHMDHSA-N 1 1 311.353 1.706 20 10 DDCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(=O)NC ZINC000801595498 700325409 /nfs/dbraw/zinc/32/54/09/700325409.db2.gz MMFARRBXWQKEBN-LBPRGKRZSA-N 1 1 307.394 1.838 20 10 DDCDMO C[NH+]1CCN(c2ccc(CN3CC[C@@](F)(CO)C3)cc2)CC1 ZINC000802660615 700416475 /nfs/dbraw/zinc/41/64/75/700416475.db2.gz RHHPGKVPNMHFDU-KRWDZBQOSA-N 1 1 307.413 1.345 20 10 DDCDMO COc1cccc(C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)c1O ZINC000761226937 700851456 /nfs/dbraw/zinc/85/14/56/700851456.db2.gz XLMCUFGDZRBBNS-UHFFFAOYSA-N 1 1 321.421 1.979 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000761228159 700851670 /nfs/dbraw/zinc/85/16/70/700851670.db2.gz ICQGEPVGCNOZCQ-GFCCVEGCSA-N 1 1 305.378 1.437 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccco3)cc2)CC1 ZINC000771824203 701333383 /nfs/dbraw/zinc/33/33/83/701333383.db2.gz UVJYPDHBXFWXOU-KRWDZBQOSA-N 1 1 315.417 1.855 20 10 DDCDMO CNC(=O)NC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000839666497 701773008 /nfs/dbraw/zinc/77/30/08/701773008.db2.gz NZAFCLWVVRJHFH-UHFFFAOYSA-N 1 1 323.368 1.627 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)c(O)cc1C ZINC000840106771 701971537 /nfs/dbraw/zinc/97/15/37/701971537.db2.gz KPWJJNZTPNKWFK-CYBMUJFWSA-N 1 1 308.378 1.982 20 10 DDCDMO Cn1ncc2c1CCC[N@@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000840173763 702011454 /nfs/dbraw/zinc/01/14/54/702011454.db2.gz TVMKHPUXMNSQIB-MRXNPFEDSA-N 1 1 315.373 1.500 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](n3cccn3)C1)[C@@H](O)CO2 ZINC000812296370 702141022 /nfs/dbraw/zinc/14/10/22/702141022.db2.gz NJNZNNACIPBZCC-DOMZBBRYSA-N 1 1 301.346 1.462 20 10 DDCDMO COc1c(O)c(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000840957144 702294093 /nfs/dbraw/zinc/29/40/93/702294093.db2.gz GBFAOMLBMNFEBK-LLVKDONJSA-N 1 1 323.349 1.219 20 10 DDCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cnc3cnccn23)cc1 ZINC000841046314 702321726 /nfs/dbraw/zinc/32/17/26/702321726.db2.gz ZQQIOXHNLGNUKE-INIZCTEOSA-N 1 1 310.405 1.585 20 10 DDCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000817418750 702375989 /nfs/dbraw/zinc/37/59/89/702375989.db2.gz DWCFHQXKCVWDBE-QMMMGPOBSA-N 1 1 311.748 1.666 20 10 DDCDMO CCN(C)c1ccc([C@@H](C)[NH2+]CC(=O)N2CCNCC2)cc1 ZINC000817946035 702532564 /nfs/dbraw/zinc/53/25/64/702532564.db2.gz QOQWVCZSRRXWHS-CQSZACIVSA-N 1 1 304.438 1.225 20 10 DDCDMO C[C@H](CNC(=O)NCCc1ccc(N)cc1)C[NH+]1CCOCC1 ZINC000841830602 702575682 /nfs/dbraw/zinc/57/56/82/702575682.db2.gz JRIDTKVRHHEPMI-CQSZACIVSA-N 1 1 320.437 1.079 20 10 DDCDMO COc1ccc(N(C)CC[N@H+](C)CCCS(C)(=O)=O)cc1 ZINC000844398768 703025827 /nfs/dbraw/zinc/02/58/27/703025827.db2.gz BVRCNWUZVWZEMI-UHFFFAOYSA-N 1 1 314.451 1.498 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)CCCS(C)(=O)=O)cc1 ZINC000844398768 703025829 /nfs/dbraw/zinc/02/58/29/703025829.db2.gz BVRCNWUZVWZEMI-UHFFFAOYSA-N 1 1 314.451 1.498 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)CCNC(=O)NC(C)C)cc1 ZINC000844400383 703026124 /nfs/dbraw/zinc/02/61/24/703026124.db2.gz BBNUCCUJSWZVEZ-UHFFFAOYSA-N 1 1 322.453 1.771 20 10 DDCDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)C[C@H](C)O1 ZINC000846059456 703231786 /nfs/dbraw/zinc/23/17/86/703231786.db2.gz CVJIQEDHBCYVHQ-BBRMVZONSA-N 1 1 306.406 1.823 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)C[C@H](C)O1 ZINC000846059456 703231788 /nfs/dbraw/zinc/23/17/88/703231788.db2.gz CVJIQEDHBCYVHQ-BBRMVZONSA-N 1 1 306.406 1.823 20 10 DDCDMO COCC[N@H+](Cc1cc(OC)ccc1O)C[C@H](O)C(F)(F)F ZINC000848922701 703603872 /nfs/dbraw/zinc/60/38/72/703603872.db2.gz YIGRUUKEVBMCAG-ZDUSSCGKSA-N 1 1 323.311 1.772 20 10 DDCDMO C[C@@]1(C2CC2)C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000853529170 704260515 /nfs/dbraw/zinc/26/05/15/704260515.db2.gz QQAYVBUSLCWSNZ-RDJZCZTQSA-N 1 1 305.374 1.819 20 10 DDCDMO O=CN1CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC000862419223 705714274 /nfs/dbraw/zinc/71/42/74/705714274.db2.gz WOVDJKKOEDQREO-UHFFFAOYSA-N 1 1 313.195 1.819 20 10 DDCDMO O=CN1CCC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000862419223 705714277 /nfs/dbraw/zinc/71/42/77/705714277.db2.gz WOVDJKKOEDQREO-UHFFFAOYSA-N 1 1 313.195 1.819 20 10 DDCDMO C[N@H+]1CCCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000862793255 705799725 /nfs/dbraw/zinc/79/97/25/705799725.db2.gz LRAMSXYTGDUKMA-IZPAUZPXSA-N 1 1 304.390 1.959 20 10 DDCDMO CCOc1ccc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c(O)c1 ZINC000826994365 705908696 /nfs/dbraw/zinc/90/86/96/705908696.db2.gz FECCGECCNVAOOY-CYBMUJFWSA-N 1 1 306.362 1.817 20 10 DDCDMO CCOc1ccc(O)c(CN2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000827118542 705932930 /nfs/dbraw/zinc/93/29/30/705932930.db2.gz CTIPCFXNPDOZMX-OAHLLOKOSA-N 1 1 306.406 1.697 20 10 DDCDMO OC1CCN(c2ccc(C[NH2+]CCc3nc[nH]n3)cc2)CC1 ZINC000877158841 706002136 /nfs/dbraw/zinc/00/21/36/706002136.db2.gz ZHSQRSDBDVOXPL-UHFFFAOYSA-N 1 1 301.394 1.098 20 10 DDCDMO O=CN1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000827878037 706080830 /nfs/dbraw/zinc/08/08/30/706080830.db2.gz YMEQLBHKRWKOSM-UHFFFAOYSA-N 1 1 321.396 1.326 20 10 DDCDMO O=CN1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000827878037 706080832 /nfs/dbraw/zinc/08/08/32/706080832.db2.gz YMEQLBHKRWKOSM-UHFFFAOYSA-N 1 1 321.396 1.326 20 10 DDCDMO COc1cccc(O)c1C[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877794600 706217695 /nfs/dbraw/zinc/21/76/95/706217695.db2.gz XABHWAQVPXMAPL-RYUDHWBXSA-N 1 1 311.403 1.267 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877794600 706217698 /nfs/dbraw/zinc/21/76/98/706217698.db2.gz XABHWAQVPXMAPL-RYUDHWBXSA-N 1 1 311.403 1.267 20 10 DDCDMO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cnnn1C ZINC000926853059 712912758 /nfs/dbraw/zinc/91/27/58/712912758.db2.gz BUEXPLSMCACCGK-CQSZACIVSA-N 1 1 314.437 1.418 20 10 DDCDMO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cc(Br)c(F)cc1O ZINC000834897793 707146226 /nfs/dbraw/zinc/14/62/26/707146226.db2.gz VSXFCQODWZHEBM-KXHDPYLZSA-N 1 1 320.158 1.704 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000835025175 707157991 /nfs/dbraw/zinc/15/79/91/707157991.db2.gz GLSHKKNZMRMHNV-QDLOVBKTSA-N 1 1 301.390 1.902 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000835025175 707157996 /nfs/dbraw/zinc/15/79/96/707157996.db2.gz GLSHKKNZMRMHNV-QDLOVBKTSA-N 1 1 301.390 1.902 20 10 DDCDMO CN(C)c1ccc(C[N@H+](C)CN2CC3(COC3)CC2=O)cc1 ZINC000872554027 707475640 /nfs/dbraw/zinc/47/56/40/707475640.db2.gz GMVDKBYKWNOCDM-UHFFFAOYSA-N 1 1 303.406 1.391 20 10 DDCDMO CN(C)c1ccc(C[N@@H+](C)CN2CC3(COC3)CC2=O)cc1 ZINC000872554027 707475642 /nfs/dbraw/zinc/47/56/42/707475642.db2.gz GMVDKBYKWNOCDM-UHFFFAOYSA-N 1 1 303.406 1.391 20 10 DDCDMO [O-]c1cccc(F)c1CNCc1cn(C[C@H]2CCCO2)nn1 ZINC000896640028 708105142 /nfs/dbraw/zinc/10/51/42/708105142.db2.gz FYVGNKOTNFANOS-GFCCVEGCSA-N 1 1 306.341 1.592 20 10 DDCDMO CCO[C@@H](CNCc1ccc(OC)c(OC)c1O)C[NH+](C)C ZINC000896876678 708170311 /nfs/dbraw/zinc/17/03/11/708170311.db2.gz FCGCDDAITBQSAJ-ZDUSSCGKSA-N 1 1 312.410 1.466 20 10 DDCDMO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2O)C[C@H]1CS(N)(=O)=O ZINC000897605426 708390625 /nfs/dbraw/zinc/39/06/25/708390625.db2.gz COFWBYCHBZJNGV-SCZZXKLOSA-N 1 1 320.361 1.027 20 10 DDCDMO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)C[C@H]1CS(N)(=O)=O ZINC000897605426 708390629 /nfs/dbraw/zinc/39/06/29/708390629.db2.gz COFWBYCHBZJNGV-SCZZXKLOSA-N 1 1 320.361 1.027 20 10 DDCDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000897624063 708399580 /nfs/dbraw/zinc/39/95/80/708399580.db2.gz RKAKNGRGRRJONV-ZBEGNZNMSA-N 1 1 304.346 1.208 20 10 DDCDMO CCOc1cccc(CN2CCN(C)CC[N@H+](C)CC2)c1O ZINC000897855064 708470547 /nfs/dbraw/zinc/47/05/47/708470547.db2.gz SHOZEQGADGLDFL-UHFFFAOYSA-N 1 1 307.438 1.470 20 10 DDCDMO CCOc1cccc(CN2CCN(C)CC[N@@H+](C)CC2)c1O ZINC000897855064 708470553 /nfs/dbraw/zinc/47/05/53/708470553.db2.gz SHOZEQGADGLDFL-UHFFFAOYSA-N 1 1 307.438 1.470 20 10 DDCDMO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1c(O)cccc1F ZINC000886606938 708792613 /nfs/dbraw/zinc/79/26/13/708792613.db2.gz ISXKUGZMOJMIQC-LBPRGKRZSA-N 1 1 313.369 1.740 20 10 DDCDMO C[N@H+]1C[C@@]2(C)CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@@]2(C)C1 ZINC000913280267 713190356 /nfs/dbraw/zinc/19/03/56/713190356.db2.gz BNWJSUKCGJKIPB-OBJZWFGXSA-N 1 1 316.401 1.911 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2COCC[C@H]2OC)c1 ZINC000903299580 711094170 /nfs/dbraw/zinc/09/41/70/711094170.db2.gz PBQBCEGSYJTJEZ-WDBKCZKBSA-N 1 1 309.362 1.633 20 10 DDCDMO COc1cc(C)cc(C[NH2+][C@H](C)CCN2CCN(C)CC2)c1O ZINC000894482475 711143442 /nfs/dbraw/zinc/14/34/42/711143442.db2.gz GHZZIGRCEDEGAT-OAHLLOKOSA-N 1 1 321.465 1.825 20 10 DDCDMO COc1ccc(C[N@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c(O)c1OC ZINC000894931927 711325392 /nfs/dbraw/zinc/32/53/92/711325392.db2.gz FCQHCPOOTLIPAQ-LBPRGKRZSA-N 1 1 318.377 1.825 20 10 DDCDMO COc1ccc(C[N@@H+]2CC[C@H](c3nc(C)n[nH]3)C2)c(O)c1OC ZINC000894931927 711325395 /nfs/dbraw/zinc/32/53/95/711325395.db2.gz FCQHCPOOTLIPAQ-LBPRGKRZSA-N 1 1 318.377 1.825 20 10 DDCDMO COc1ccc(C[N@H+]2CC[C@H](c3nc(C)n[nH]3)C2)c(O)c1OC ZINC000894931927 711325397 /nfs/dbraw/zinc/32/53/97/711325397.db2.gz FCQHCPOOTLIPAQ-LBPRGKRZSA-N 1 1 318.377 1.825 20 10 DDCDMO COc1ccc(C[N@@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c(O)c1OC ZINC000894931927 711325400 /nfs/dbraw/zinc/32/54/00/711325400.db2.gz FCQHCPOOTLIPAQ-LBPRGKRZSA-N 1 1 318.377 1.825 20 10 DDCDMO COc1ccc(C[N@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c(O)c1OC ZINC000894931927 711325404 /nfs/dbraw/zinc/32/54/04/711325404.db2.gz FCQHCPOOTLIPAQ-LBPRGKRZSA-N 1 1 318.377 1.825 20 10 DDCDMO CNC(=O)C1([NH2+]Cc2c(O)ccc(Cl)c2F)CCOCC1 ZINC000895884314 711636905 /nfs/dbraw/zinc/63/69/05/711636905.db2.gz KNMIVMNSEUXBGP-UHFFFAOYSA-N 1 1 316.760 1.570 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]C[C@@](C)(O)C(F)F)cc2)CC1 ZINC000905429276 712035602 /nfs/dbraw/zinc/03/56/02/712035602.db2.gz YRBBTELFTPPWET-MRXNPFEDSA-N 1 1 313.392 1.544 20 10 DDCDMO O=C(NCc1c(O)cccc1F)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000914220019 713361401 /nfs/dbraw/zinc/36/14/01/713361401.db2.gz HDPBNSSCINVTJO-ZIAGYGMSSA-N 1 1 307.369 1.957 20 10 DDCDMO O[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000931505089 714113770 /nfs/dbraw/zinc/11/37/70/714113770.db2.gz SKHUXAPQKKFKJH-BPQIPLTHSA-N 1 1 302.418 1.868 20 10 DDCDMO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000962973119 717640552 /nfs/dbraw/zinc/64/05/52/717640552.db2.gz KLSCNDCOKKZOTO-ITGUQSILSA-N 1 1 301.350 1.529 20 10 DDCDMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)cc(O)c1O ZINC001204345573 743662762 /nfs/dbraw/zinc/66/27/62/743662762.db2.gz UVHMPSYPBAPTCA-GFCCVEGCSA-N 1 1 308.378 1.407 20 10 DDCDMO COc1cc(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)cc(O)c1O ZINC001204345575 743662818 /nfs/dbraw/zinc/66/28/18/743662818.db2.gz UVHMPSYPBAPTCA-LBPRGKRZSA-N 1 1 308.378 1.407 20 10 DDCDMO COc1cc(C[NH+]2CCC(N(C)C(C)=O)CC2)cc(O)c1O ZINC001204346730 743665862 /nfs/dbraw/zinc/66/58/62/743665862.db2.gz XJMIIIBQGUZAAB-UHFFFAOYSA-N 1 1 308.378 1.549 20 10 DDCDMO O=C([C@@H]1CCCC[N@@H+]1Cc1c(O)cc(O)cc1O)N1CCCC1 ZINC001144508842 772557379 /nfs/dbraw/zinc/55/73/79/772557379.db2.gz ADRDXMFLKWNOOV-AWEZNQCLSA-N 1 1 320.389 1.780 20 10 DDCDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c(O)c1 ZINC001144515571 772558114 /nfs/dbraw/zinc/55/81/14/772558114.db2.gz QTBXVKYOLLALEW-CYBMUJFWSA-N 1 1 302.330 1.852 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)c(O)c1 ZINC001206209723 777316088 /nfs/dbraw/zinc/31/60/88/777316088.db2.gz ISFHGGJYEGCYFS-KGLIPLIRSA-N 1 1 310.369 1.369 20 10 DDCDMO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)c(O)c1 ZINC001206209723 777316092 /nfs/dbraw/zinc/31/60/92/777316092.db2.gz ISFHGGJYEGCYFS-KGLIPLIRSA-N 1 1 310.369 1.369 20 10 DDCDMO C[C@@H](C[NH2+]Cc1cccc(Br)c1O)S(C)(=O)=O ZINC000697565655 779665209 /nfs/dbraw/zinc/66/52/09/779665209.db2.gz WIMUWLGNHYMQJZ-QMMMGPOBSA-N 1 1 322.224 1.677 20 10 DDCDMO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1c(O)ccc(Cl)c1F ZINC001326220413 861203973 /nfs/dbraw/zinc/20/39/73/861203973.db2.gz AEKBMVOZQYSMQY-NSHDSACASA-N 1 1 316.760 1.522 20 10 DDCDMO C[N@H+]1CCC2(C1)CCN(C(=O)Cc1ccc(O)c(O)c1)CC2 ZINC001270576219 842684795 /nfs/dbraw/zinc/68/47/95/842684795.db2.gz OKQCWALEWAFMGF-UHFFFAOYSA-N 1 1 304.390 1.585 20 10 DDCDMO CN1C[C@]2(CC[N@@H+](Cc3c(O)cccc3Cl)C2)OCC1=O ZINC001273107552 847922216 /nfs/dbraw/zinc/92/22/16/847922216.db2.gz BGDYAQXQDOVEFT-HNNXBMFYSA-N 1 1 310.781 1.479 20 10 DDCDMO CN1CC[C@@]2(CCC[N@@H+](Cc3c(O)cc(O)cc3O)CC2)C1=O ZINC001273671449 851207872 /nfs/dbraw/zinc/20/78/72/851207872.db2.gz GKLWXDYDKRGUKS-QGZVFWFLSA-N 1 1 320.389 1.638 20 10 DDCDMO CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001274837495 852627916 /nfs/dbraw/zinc/62/79/16/852627916.db2.gz YMAREKSDTXKTIM-LLVKDONJSA-N 1 1 306.362 1.152 20 10 DDCDMO C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(N2CCC(O)CC2)cc1 ZINC001275174288 852867933 /nfs/dbraw/zinc/86/79/33/852867933.db2.gz VIBSXZFLQCLAQH-CALCHBBNSA-N 1 1 301.434 1.536 20 10 DDCDMO COCCOCN1CCC12C[NH+](Cc1cccc(OC)c1O)C2 ZINC001275273828 852946891 /nfs/dbraw/zinc/94/68/91/852946891.db2.gz XRFCEKSIGILTAQ-UHFFFAOYSA-N 1 1 322.405 1.281 20 10 DDCDMO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001275821287 853817155 /nfs/dbraw/zinc/81/71/55/853817155.db2.gz NEEDROOGLBNQRR-KBPBESRZSA-N 1 1 319.405 1.722 20 10 DDCDMO CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3c(O)cccc3F)CC[C@@H]21 ZINC001137834585 859982728 /nfs/dbraw/zinc/98/27/28/859982728.db2.gz LYNLITIDPXBFRF-DOTOQJQBSA-N 1 1 322.380 1.743 20 10 DDCDMO CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3c(O)cccc3F)CC[C@@H]21 ZINC001137834585 859982739 /nfs/dbraw/zinc/98/27/39/859982739.db2.gz LYNLITIDPXBFRF-DOTOQJQBSA-N 1 1 322.380 1.743 20 10 DDCDMO OC1CCN(c2ccc(C[N@H+]3CCCC[C@@H](O)C3)cc2)CC1 ZINC001140282709 860610754 /nfs/dbraw/zinc/61/07/54/860610754.db2.gz IASAYVQWMRKGTM-GOSISDBHSA-N 1 1 304.434 1.995 20 10 DDCDMO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c1O ZINC001140749717 860691166 /nfs/dbraw/zinc/69/11/66/860691166.db2.gz KLLKLBUTBWQQBL-TZMCWYRMSA-N 1 1 304.390 1.849 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001140850169 860712480 /nfs/dbraw/zinc/71/24/80/860712480.db2.gz FSQDOGSOTCLCPF-ZWKOTPCHSA-N 1 1 322.449 1.804 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c(OC)c1 ZINC001141026683 860765884 /nfs/dbraw/zinc/76/58/84/860765884.db2.gz YYBRZIDCZPAUDU-PZSREKOKSA-N 1 1 323.389 1.381 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c(OC)c1 ZINC001141026683 860765889 /nfs/dbraw/zinc/76/58/89/860765889.db2.gz YYBRZIDCZPAUDU-PZSREKOKSA-N 1 1 323.389 1.381 20 10 DDCDMO OC[C@@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC[C@@H]1O ZINC001141074705 860782522 /nfs/dbraw/zinc/78/25/22/860782522.db2.gz RNBMMALEOBOANG-ROUUACIJSA-N 1 1 316.445 1.561 20 10 DDCDMO CN1CCOc2cc(CN3CCN([C@@H]4CCOC4)CC3)ccc21 ZINC001141140787 860793908 /nfs/dbraw/zinc/79/39/08/860793908.db2.gz PLIUROCRHOZKPS-MRXNPFEDSA-N 1 1 317.433 1.422 20 10 DDCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1)C1CCC1 ZINC001141162464 860799481 /nfs/dbraw/zinc/79/94/81/860799481.db2.gz SLUWZBSGHHEZHO-CQSZACIVSA-N 1 1 304.390 1.979 20 10 DDCDMO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(C)c1 ZINC001277018151 881672691 /nfs/dbraw/zinc/67/26/91/881672691.db2.gz DSIXFHKDDFKQTM-GASCZTMLSA-N 1 1 317.433 1.745 20 10 DDCDMO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(C)c1 ZINC001277018151 881672697 /nfs/dbraw/zinc/67/26/97/881672697.db2.gz DSIXFHKDDFKQTM-GASCZTMLSA-N 1 1 317.433 1.745 20 10 DDCDMO C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001333257915 866567999 /nfs/dbraw/zinc/56/79/99/866567999.db2.gz OJXWHHZGWXNDGK-CQSZACIVSA-N 1 1 316.449 1.195 20 10 DDCDMO CN(C)c1ccc(CNC(=O)c2cc(C[NH+](C)C)on2)cc1 ZINC001324779580 867517905 /nfs/dbraw/zinc/51/79/05/867517905.db2.gz VONJXDDGJVDLDM-UHFFFAOYSA-N 1 1 302.378 1.732 20 10 DDCDMO Nc1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC001335286395 868203859 /nfs/dbraw/zinc/20/38/59/868203859.db2.gz YONSDUAVSWISBP-INIZCTEOSA-N 1 1 303.406 1.482 20 10 DDCDMO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](Cc4ccccc4O)C[C@H]3O2)n1 ZINC001203552622 870635680 /nfs/dbraw/zinc/63/56/80/870635680.db2.gz PAJYFHNKJULTBN-OFQRWUPVSA-N 1 1 315.373 1.916 20 10 DDCDMO CCOc1cccc(C[NH+]2CCN(CCCOC)CC2)c1O ZINC001203609300 870670062 /nfs/dbraw/zinc/67/00/62/870670062.db2.gz PKQDVWCVLJGMAU-UHFFFAOYSA-N 1 1 308.422 1.945 20 10 DDCDMO COCC[N@@H+](Cc1cc(OC)ccc1O)C1CCN(C)CC1 ZINC001203674827 870706248 /nfs/dbraw/zinc/70/62/48/870706248.db2.gz CVIKFQFMMBWNQJ-UHFFFAOYSA-N 1 1 308.422 1.943 20 10 DDCDMO COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204344292 871064006 /nfs/dbraw/zinc/06/40/06/871064006.db2.gz FRXPCZKZSSSXFR-PWSUYJOCSA-N 1 1 309.362 1.880 20 10 DDCDMO Nc1ccc[nH+]c1N1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000323012109 883000503 /nfs/dbraw/zinc/00/05/03/883000503.db2.gz XAEXFHHUQLMMON-UHFFFAOYSA-N 1 1 314.345 1.037 20 10 DDCDMO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1C[N@@H+](C)CCN1C ZINC001351788638 876432783 /nfs/dbraw/zinc/43/27/83/876432783.db2.gz YMRDPQMNDYZKPP-DZGCQCFKSA-N 1 1 320.437 1.168 20 10 DDCDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccc(N)cc1 ZINC001353491732 877371456 /nfs/dbraw/zinc/37/14/56/877371456.db2.gz APDHVJGTHNIXMQ-LBPRGKRZSA-N 1 1 301.394 1.909 20 10 DDCDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(N)cc1 ZINC001357791783 880198486 /nfs/dbraw/zinc/19/84/86/880198486.db2.gz PKYCKMARZFRVRV-CYBMUJFWSA-N 1 1 320.437 1.255 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C)c(O)c1 ZINC001277420686 884163332 /nfs/dbraw/zinc/16/33/32/884163332.db2.gz FIHTYFVGLQNQGD-GJZGRUSLSA-N 1 1 304.390 1.386 20 10 DDCDMO COC(=O)Cc1ccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C)c(O)c1 ZINC001277420686 884163344 /nfs/dbraw/zinc/16/33/44/884163344.db2.gz FIHTYFVGLQNQGD-GJZGRUSLSA-N 1 1 304.390 1.386 20 10 DDCDMO COC(=O)Cc1ccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3C)c(O)c1 ZINC001277420686 884163354 /nfs/dbraw/zinc/16/33/54/884163354.db2.gz FIHTYFVGLQNQGD-GJZGRUSLSA-N 1 1 304.390 1.386 20 10 DDCDMO COC(=O)[C@H]1C[N@H+](Cc2c(C)cc(C)cc2O)CCN1C(C)=O ZINC001231847519 885905574 /nfs/dbraw/zinc/90/55/74/885905574.db2.gz AFIRHPHZRRBQBM-OAHLLOKOSA-N 1 1 320.389 1.215 20 10 DDCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(C)cc(C)cc2O)CCN1C(C)=O ZINC001231847519 885905594 /nfs/dbraw/zinc/90/55/94/885905594.db2.gz AFIRHPHZRRBQBM-OAHLLOKOSA-N 1 1 320.389 1.215 20 10 DDCDMO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cccc(Cl)c2[O-])O1 ZINC001231910428 885942093 /nfs/dbraw/zinc/94/20/93/885942093.db2.gz PJEWOTPZBDCPOQ-MCIONIFRSA-N 1 1 324.808 1.866 20 10 DDCDMO CN(C)C(=O)[C@]12C[C@H]1CC[N@H+]2Cc1ccc2c(c1)OCCN2C ZINC001277652771 886277985 /nfs/dbraw/zinc/27/79/85/886277985.db2.gz JTQSPFYJMLZOCQ-KDOFPFPSSA-N 1 1 315.417 1.568 20 10 DDCDMO O=C(N1CC=CC1)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(O)ccc1O ZINC001277659783 886332456 /nfs/dbraw/zinc/33/24/56/886332456.db2.gz HOUWHLZLZLAZKJ-DYVFJYSZSA-N 1 1 300.358 1.461 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](Oc3cnccn3)C2)c(O)c1 ZINC001232841813 886629248 /nfs/dbraw/zinc/62/92/48/886629248.db2.gz SSFRSJGFXKIPLQ-HNNXBMFYSA-N 1 1 314.389 1.902 20 10 DDCDMO CC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233013773 886724672 /nfs/dbraw/zinc/72/46/72/886724672.db2.gz TZJUZJYNGOOKKP-KRWDZBQOSA-N 1 1 320.389 1.780 20 10 DDCDMO O=C([C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1)N1CCCC1 ZINC001233485029 887017051 /nfs/dbraw/zinc/01/70/51/887017051.db2.gz GLVOUISGLJIUKN-LBPRGKRZSA-N 1 1 320.389 1.638 20 10 DDCDMO CN1C(=O)CC[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)CC[C@H]21 ZINC001233487798 887023340 /nfs/dbraw/zinc/02/33/40/887023340.db2.gz SGXAWTDGFKEYDO-ZYHUDNBSSA-N 1 1 306.362 1.246 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CCc3ncn(C)c3C2)cc1OC ZINC001236751166 889328091 /nfs/dbraw/zinc/32/80/91/889328091.db2.gz CRBKFMAPNAZYPZ-UHFFFAOYSA-N 1 1 303.362 1.701 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCc3ncn(C)c3C2)cc1OC ZINC001236751166 889328101 /nfs/dbraw/zinc/32/81/01/889328101.db2.gz CRBKFMAPNAZYPZ-UHFFFAOYSA-N 1 1 303.362 1.701 20 10 DDCDMO COc1cc(O)c(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)cc1OC ZINC001236750553 889328372 /nfs/dbraw/zinc/32/83/72/889328372.db2.gz RXICXPGGTWBRLN-GFCCVEGCSA-N 1 1 313.394 1.363 20 10 DDCDMO COC[C@]12COC[C@H]1C[N@@H+](Cc1c(C)cc(OC)cc1O)C2 ZINC001236809124 889369751 /nfs/dbraw/zinc/36/97/51/889369751.db2.gz DNHTXFGAOUKUJG-CXAGYDPISA-N 1 1 307.390 1.804 20 10 DDCDMO CCOc1ccc(C[N@H+]2CCCO[C@@H](C(=O)OC)C2)c(O)c1 ZINC001237047442 889481423 /nfs/dbraw/zinc/48/14/23/889481423.db2.gz XTZHYJUDHHCZLE-OAHLLOKOSA-N 1 1 309.362 1.555 20 10 DDCDMO COc1cc(C[N@H+]2CCC[C@@]3(CCNC3=O)C2)c(O)c(OC)c1 ZINC001237673731 889792605 /nfs/dbraw/zinc/79/26/05/889792605.db2.gz UMRZXOPZNNEDBJ-QGZVFWFLSA-N 1 1 320.389 1.512 20 10 DDCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237674591 889796263 /nfs/dbraw/zinc/79/62/63/889796263.db2.gz JPBIRQZBQMCSPO-NSHDSACASA-N 1 1 309.362 1.794 20 10 DDCDMO Cc1ccc(C)c(C[NH+]2CC3(C2)CC[C@H](C(=O)N(C)C)O3)c1O ZINC001278357325 891588441 /nfs/dbraw/zinc/58/84/41/891588441.db2.gz HITYATWZLHAOSV-OAHLLOKOSA-N 1 1 318.417 1.831 20 10 DDCDMO C[N@@H+](CCNC(=O)Cc1ccc(O)c(O)c1)Cc1ccccc1 ZINC001292057106 913610018 /nfs/dbraw/zinc/61/00/18/913610018.db2.gz IGAOJKUIJTVLPM-UHFFFAOYSA-N 1 1 314.385 1.889 20 10 DDCDMO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC)c(O)c1 ZINC001249171942 893848716 /nfs/dbraw/zinc/84/87/16/893848716.db2.gz HROPUVGFQXYPSF-CYBMUJFWSA-N 1 1 307.346 1.245 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC)c(O)c1 ZINC001249171942 893848740 /nfs/dbraw/zinc/84/87/40/893848740.db2.gz HROPUVGFQXYPSF-CYBMUJFWSA-N 1 1 307.346 1.245 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2C[C@H](CO)CC[C@H]2C)c(O)c1 ZINC001249171777 893850394 /nfs/dbraw/zinc/85/03/94/893850394.db2.gz FOASKBMUDISAJX-TZMCWYRMSA-N 1 1 307.390 1.701 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c(O)c1 ZINC001249207727 893866877 /nfs/dbraw/zinc/86/68/77/893866877.db2.gz HLDUOANBLWHBKT-GJZGRUSLSA-N 1 1 305.374 1.576 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1 ZINC000281646769 292014148 /nfs/dbraw/zinc/01/41/48/292014148.db2.gz PKNKMCMICGCJHS-NEPJUHHUSA-N 1 1 320.389 1.840 20 10 DDCDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000073132586 406889307 /nfs/dbraw/zinc/88/93/07/406889307.db2.gz PPSRWUVTMOVWBL-QGZVFWFLSA-N 1 1 317.433 1.406 20 10 DDCDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000073132586 406889310 /nfs/dbraw/zinc/88/93/10/406889310.db2.gz PPSRWUVTMOVWBL-QGZVFWFLSA-N 1 1 317.433 1.406 20 10 DDCDMO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000179701362 407824612 /nfs/dbraw/zinc/82/46/12/407824612.db2.gz RSOSZHWQQFBFHP-GFCCVEGCSA-N 1 1 308.378 1.510 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)[C@H]2CCOC2)c1 ZINC000280978953 408868680 /nfs/dbraw/zinc/86/86/80/408868680.db2.gz VZHYBQPETDYTMH-FPMFFAJLSA-N 1 1 323.389 1.474 20 10 DDCDMO C[N@H+]1CCN(CCNC(=O)NCc2ccccc2O)CC1(C)C ZINC000282081032 408986431 /nfs/dbraw/zinc/98/64/31/408986431.db2.gz DAZFKUQRVRAKJP-UHFFFAOYSA-N 1 1 320.437 1.217 20 10 DDCDMO COc1cc(O)c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000292194344 408998753 /nfs/dbraw/zinc/99/87/53/408998753.db2.gz ZFKNMJQUQXJEOF-KRWDZBQOSA-N 1 1 306.406 1.937 20 10 DDCDMO CCC[N@@H+](Cc1cccc(OC)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000282926952 409070709 /nfs/dbraw/zinc/07/07/09/409070709.db2.gz FOPURGPYPPRPEV-GFCCVEGCSA-N 1 1 306.362 1.370 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H]2CCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000278366582 409079214 /nfs/dbraw/zinc/07/92/14/409079214.db2.gz KEIQUGWVOMFJSB-CMPLNLGQSA-N 1 1 310.350 1.950 20 10 DDCDMO CN(C)c1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1 ZINC000278821666 409095756 /nfs/dbraw/zinc/09/57/56/409095756.db2.gz ZNCWVXYHHXKVCB-WMZOPIPTSA-N 1 1 314.433 1.694 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1 ZINC000278866296 409104172 /nfs/dbraw/zinc/10/41/72/409104172.db2.gz RKYKOMYHKZACDK-USBNGQNGSA-N 1 1 309.362 1.369 20 10 DDCDMO CCCOc1ccc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c(O)c1 ZINC000279529931 409232782 /nfs/dbraw/zinc/23/27/82/409232782.db2.gz ZGVKCUYHFQABGN-QGZVFWFLSA-N 1 1 304.390 1.893 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000280175800 409263634 /nfs/dbraw/zinc/26/36/34/409263634.db2.gz GKVDATSKXXFGDC-CQSZACIVSA-N 1 1 309.322 1.006 20 10 DDCDMO COc1c(O)c(C[N@H+]2CC[C@@](C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000280175800 409263638 /nfs/dbraw/zinc/26/36/38/409263638.db2.gz GKVDATSKXXFGDC-CQSZACIVSA-N 1 1 309.322 1.006 20 10 DDCDMO COc1cccc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000290490704 409421797 /nfs/dbraw/zinc/42/17/97/409421797.db2.gz OOASPAGQTBSBEX-AWEZNQCLSA-N 1 1 304.390 1.845 20 10 DDCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000352119780 410492601 /nfs/dbraw/zinc/49/26/01/410492601.db2.gz HEGIWGSOZSDLLM-MRXNPFEDSA-N 1 1 301.390 1.434 20 10 DDCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000352119780 410492606 /nfs/dbraw/zinc/49/26/06/410492606.db2.gz HEGIWGSOZSDLLM-MRXNPFEDSA-N 1 1 301.390 1.434 20 10 DDCDMO O=C1CO[C@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)C[C@@H]2N1 ZINC000373769269 418457970 /nfs/dbraw/zinc/45/79/70/418457970.db2.gz URFCUMZDLDSXSL-RDJZCZTQSA-N 1 1 312.369 1.635 20 10 DDCDMO CC[C@@H](c1ccccc1O)[N@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000368008117 418673508 /nfs/dbraw/zinc/67/35/08/418673508.db2.gz HXPMVPBRHIYXSJ-LRDDRELGSA-N 1 1 303.362 1.469 20 10 DDCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1F ZINC000377031990 418704643 /nfs/dbraw/zinc/70/46/43/418704643.db2.gz SLGOAMPFMBCTTG-LBPRGKRZSA-N 1 1 315.414 1.145 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1F ZINC000377031990 418704646 /nfs/dbraw/zinc/70/46/46/418704646.db2.gz SLGOAMPFMBCTTG-LBPRGKRZSA-N 1 1 315.414 1.145 20 10 DDCDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cc(C)ccc3O)CCN2C1=O ZINC000362007652 418738358 /nfs/dbraw/zinc/73/83/58/418738358.db2.gz BEJOXBMOWWBCAR-CYBMUJFWSA-N 1 1 303.362 1.169 20 10 DDCDMO Cc1cccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c1O ZINC000378440880 418722811 /nfs/dbraw/zinc/72/28/11/418722811.db2.gz FEYDULPGQLNFOF-AWEZNQCLSA-N 1 1 312.435 1.603 20 10 DDCDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000372404363 418865639 /nfs/dbraw/zinc/86/56/39/418865639.db2.gz LLHLLFJUSHULCS-HNNXBMFYSA-N 1 1 311.451 1.266 20 10 DDCDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(OC)ccc1O ZINC000372280635 418851156 /nfs/dbraw/zinc/85/11/56/418851156.db2.gz FMOLOLLQUKKFKH-UKRRQHHQSA-N 1 1 323.389 1.943 20 10 DDCDMO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCc2cc(F)c(F)cc21 ZINC000662386552 424600250 /nfs/dbraw/zinc/60/02/50/424600250.db2.gz CMZOSEDIEOMINK-JTQLQIEISA-N 1 1 318.327 1.968 20 10 DDCDMO COc1c(O)c(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000278531594 484296037 /nfs/dbraw/zinc/29/60/37/484296037.db2.gz VCHVJWYCCXOSFO-SMDDNHRTSA-N 1 1 321.377 1.835 20 10 DDCDMO CCOc1cccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1O ZINC000156015487 521343289 /nfs/dbraw/zinc/34/32/89/521343289.db2.gz PXXODDPQYPSQFW-HNNXBMFYSA-N 1 1 306.406 1.697 20 10 DDCDMO CCN1CCN([C@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)CC1 ZINC000180084645 521695441 /nfs/dbraw/zinc/69/54/41/521695441.db2.gz MGYRPDWZXINZAA-INIZCTEOSA-N 1 1 307.413 1.743 20 10 DDCDMO CCN1CCN([C@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)CC1 ZINC000180084645 521695443 /nfs/dbraw/zinc/69/54/43/521695443.db2.gz MGYRPDWZXINZAA-INIZCTEOSA-N 1 1 307.413 1.743 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](C3OCCO3)C1)OCO2 ZINC000265761495 526334317 /nfs/dbraw/zinc/33/43/17/526334317.db2.gz ZBZUXRFPNCOMBY-LLVKDONJSA-N 1 1 307.346 1.706 20 10 DDCDMO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000273589340 535309302 /nfs/dbraw/zinc/30/93/02/535309302.db2.gz OTJOGFYRRQAGBH-WCQYABFASA-N 1 1 320.389 1.840 20 10 DDCDMO O=C1NCCCC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000042411996 696148964 /nfs/dbraw/zinc/14/89/64/696148964.db2.gz IYHROQHWGFVKFL-LLVKDONJSA-N 1 1 313.195 1.913 20 10 DDCDMO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000092097952 696592504 /nfs/dbraw/zinc/59/25/04/696592504.db2.gz WABJHDUANJNDIO-MRXNPFEDSA-N 1 1 303.406 1.234 20 10 DDCDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000092303920 696593769 /nfs/dbraw/zinc/59/37/69/696593769.db2.gz RDIYJOAWQCDJCA-CQSZACIVSA-N 1 1 312.435 1.523 20 10 DDCDMO Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109770719 696638184 /nfs/dbraw/zinc/63/81/84/696638184.db2.gz VTTKVFWTSLRYLQ-UHFFFAOYSA-N 1 1 302.378 1.813 20 10 DDCDMO Cc1nn(C)c(C)c1NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109770719 696638185 /nfs/dbraw/zinc/63/81/85/696638185.db2.gz VTTKVFWTSLRYLQ-UHFFFAOYSA-N 1 1 302.378 1.813 20 10 DDCDMO COc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000129077884 696784739 /nfs/dbraw/zinc/78/47/39/696784739.db2.gz ZBRUTPMSBYGDIT-YPMHNXCESA-N 1 1 319.405 1.825 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)cc1OC ZINC000160113317 697315160 /nfs/dbraw/zinc/31/51/60/697315160.db2.gz PXTUMKJUHYXODT-LBPRGKRZSA-N 1 1 322.405 1.887 20 10 DDCDMO C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000185869820 697525719 /nfs/dbraw/zinc/52/57/19/697525719.db2.gz IQLMZVCDRVAGDG-HNNXBMFYSA-N 1 1 303.450 1.737 20 10 DDCDMO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1O ZINC000186817990 697538269 /nfs/dbraw/zinc/53/82/69/697538269.db2.gz QSDHDQWXQABXAN-PBHICJAKSA-N 1 1 319.449 1.414 20 10 DDCDMO COc1cc(C)cc(CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1O ZINC000188969771 697568202 /nfs/dbraw/zinc/56/82/02/697568202.db2.gz XCYQFPLQMCQORH-CQSZACIVSA-N 1 1 322.449 1.986 20 10 DDCDMO COc1cc(C)cc(C[N@@H+]2CCN(CC(C)(C)O)[C@H](C)C2)c1O ZINC000188969771 697568205 /nfs/dbraw/zinc/56/82/05/697568205.db2.gz XCYQFPLQMCQORH-CQSZACIVSA-N 1 1 322.449 1.986 20 10 DDCDMO COc1cc(C)cc(C[N@H+]2CCN(CC(C)(C)O)[C@H](C)C2)c1O ZINC000188969771 697568207 /nfs/dbraw/zinc/56/82/07/697568207.db2.gz XCYQFPLQMCQORH-CQSZACIVSA-N 1 1 322.449 1.986 20 10 DDCDMO CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000228356202 697774154 /nfs/dbraw/zinc/77/41/54/697774154.db2.gz YHLJKMROYMYFQK-NSHDSACASA-N 1 1 313.195 1.865 20 10 DDCDMO COc1c(O)c(C[NH2+]CCOc2cccnc2)ccc1[N+](=O)[O-] ZINC000775015653 697954550 /nfs/dbraw/zinc/95/45/50/697954550.db2.gz JBKFIYCXSSRIBI-UHFFFAOYSA-N 1 1 319.317 1.873 20 10 DDCDMO CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000779516722 698429419 /nfs/dbraw/zinc/42/94/19/698429419.db2.gz HAWSGNJBMQMEHK-NMNMAYGDSA-N 1 1 302.374 1.806 20 10 DDCDMO CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(O)c1 ZINC000787424361 699211748 /nfs/dbraw/zinc/21/17/48/699211748.db2.gz RKFFDAGWNBYIPK-HZUKXOBISA-N 1 1 304.390 1.877 20 10 DDCDMO C[N@H+]1CC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000729525321 699481605 /nfs/dbraw/zinc/48/16/05/699481605.db2.gz HFFHOZMXLLVIDQ-OAHLLOKOSA-N 1 1 303.406 1.091 20 10 DDCDMO COc1ccc(N2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000729532265 699481691 /nfs/dbraw/zinc/48/16/91/699481691.db2.gz XOLKGPGFJNWLFW-AWEZNQCLSA-N 1 1 317.433 1.732 20 10 DDCDMO COc1ccc(N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000729532266 699481818 /nfs/dbraw/zinc/48/18/18/699481818.db2.gz XOLKGPGFJNWLFW-CQSZACIVSA-N 1 1 317.433 1.732 20 10 DDCDMO COc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)c(O)c1 ZINC000794388440 699806413 /nfs/dbraw/zinc/80/64/13/699806413.db2.gz UNYVSCVCLJHJLA-LBPRGKRZSA-N 1 1 310.419 1.454 20 10 DDCDMO COC(=O)C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000751952248 700330087 /nfs/dbraw/zinc/33/00/87/700330087.db2.gz YLZYVKCGKJXJBC-ZDUSSCGKSA-N 1 1 316.357 1.704 20 10 DDCDMO COC(=O)C[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000751952248 700330092 /nfs/dbraw/zinc/33/00/92/700330092.db2.gz YLZYVKCGKJXJBC-ZDUSSCGKSA-N 1 1 316.357 1.704 20 10 DDCDMO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756775370 700640771 /nfs/dbraw/zinc/64/07/71/700640771.db2.gz PKKKRSPLAXZRDE-QKCSRTOESA-N 1 1 320.389 1.744 20 10 DDCDMO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1cc(F)cc(F)c1O ZINC000756789329 700641213 /nfs/dbraw/zinc/64/12/13/700641213.db2.gz GFQYNQYZOSBDRC-SECBINFHSA-N 1 1 300.305 1.180 20 10 DDCDMO COC[C@@](C)(CCO)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771844789 701334121 /nfs/dbraw/zinc/33/41/21/701334121.db2.gz WNECHUWEHMUINA-GOSISDBHSA-N 1 1 321.465 1.316 20 10 DDCDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840107158 701972308 /nfs/dbraw/zinc/97/23/08/701972308.db2.gz KRZWWXCTFXUBHU-RISCZKNCSA-N 1 1 322.361 1.091 20 10 DDCDMO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816557933 702112599 /nfs/dbraw/zinc/11/25/99/702112599.db2.gz HAFJJQOPUJJGDX-SECBINFHSA-N 1 1 307.774 1.852 20 10 DDCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c(Cl)c1 ZINC000840939786 702286383 /nfs/dbraw/zinc/28/63/83/702286383.db2.gz QQPVEEXSLOESFP-SNVBAGLBSA-N 1 1 318.826 1.607 20 10 DDCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c(Cl)c1 ZINC000840939786 702286385 /nfs/dbraw/zinc/28/63/85/702286385.db2.gz QQPVEEXSLOESFP-SNVBAGLBSA-N 1 1 318.826 1.607 20 10 DDCDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841803021 702569922 /nfs/dbraw/zinc/56/99/22/702569922.db2.gz OCTNAHFHBGWXBI-INIZCTEOSA-N 1 1 304.438 1.985 20 10 DDCDMO C[NH2+][C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843048737 702807700 /nfs/dbraw/zinc/80/77/00/702807700.db2.gz VDLANMJBSJWPKT-KRWDZBQOSA-N 1 1 302.466 1.622 20 10 DDCDMO COc1ccc(N(C)CC[N@H+](C)CN2CC[C@@H](C)C2=O)cc1 ZINC000844725498 703064109 /nfs/dbraw/zinc/06/41/09/703064109.db2.gz KWAIXPHSJOQSDG-CQSZACIVSA-N 1 1 305.422 1.889 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)CN2CC[C@@H](C)C2=O)cc1 ZINC000844725498 703064111 /nfs/dbraw/zinc/06/41/11/703064111.db2.gz KWAIXPHSJOQSDG-CQSZACIVSA-N 1 1 305.422 1.889 20 10 DDCDMO COc1cccc([C@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)c1O ZINC000846146020 703242485 /nfs/dbraw/zinc/24/24/85/703242485.db2.gz PDCNWNLHEVECBP-KGLIPLIRSA-N 1 1 307.438 1.687 20 10 DDCDMO Cc1c[nH]c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000850406504 703729941 /nfs/dbraw/zinc/72/99/41/703729941.db2.gz JKJIHDSRCRPWBI-UHFFFAOYSA-N 1 1 300.406 1.969 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](OC)[C@H]2CCOC2)c1 ZINC000850484453 703733473 /nfs/dbraw/zinc/73/34/73/703733473.db2.gz JEONIZXDQLZHHE-DETPVDSQSA-N 1 1 323.389 1.881 20 10 DDCDMO CCCOc1ccccc1NC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819397967 704120369 /nfs/dbraw/zinc/12/03/69/704120369.db2.gz HZFYKZISZJVLNP-OAHLLOKOSA-N 1 1 307.438 1.496 20 10 DDCDMO CNS(=O)(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000856721745 704535339 /nfs/dbraw/zinc/53/53/39/704535339.db2.gz MZLXFZDABZURSI-UHFFFAOYSA-N 1 1 311.451 1.266 20 10 DDCDMO CNS(=O)(=O)CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000856721745 704535340 /nfs/dbraw/zinc/53/53/40/704535340.db2.gz MZLXFZDABZURSI-UHFFFAOYSA-N 1 1 311.451 1.266 20 10 DDCDMO CCn1nncc1C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000858440078 704711425 /nfs/dbraw/zinc/71/14/25/704711425.db2.gz LMLJWAUHWVAJMR-SNVBAGLBSA-N 1 1 304.350 1.641 20 10 DDCDMO CCN1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1=O ZINC000824886603 705551686 /nfs/dbraw/zinc/55/16/86/705551686.db2.gz FRJKXYZWYALSRM-JTQLQIEISA-N 1 1 309.322 1.019 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]C[C@@H](O)C3CCC3)cc2)CC1 ZINC000825240668 705631846 /nfs/dbraw/zinc/63/18/46/705631846.db2.gz QFJCJORGGQEVLL-GOSISDBHSA-N 1 1 303.450 1.689 20 10 DDCDMO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1F ZINC000862395298 705708943 /nfs/dbraw/zinc/70/89/43/705708943.db2.gz ZNDZNNCTRCJFGF-IAQYHMDHSA-N 1 1 300.349 1.206 20 10 DDCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1F ZINC000862395298 705708947 /nfs/dbraw/zinc/70/89/47/705708947.db2.gz ZNDZNNCTRCJFGF-IAQYHMDHSA-N 1 1 300.349 1.206 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@](OC)(C(=O)OC)C2)c1 ZINC000862474250 705720937 /nfs/dbraw/zinc/72/09/37/705720937.db2.gz OYKPQKMNTHTAIY-INIZCTEOSA-N 1 1 309.362 1.555 20 10 DDCDMO CCNC(=O)C1C[NH+](Cc2ccc(Br)cc2O)C1 ZINC000826113665 705774163 /nfs/dbraw/zinc/77/41/63/705774163.db2.gz OHRJAZCKSVGXOT-UHFFFAOYSA-N 1 1 313.195 1.723 20 10 DDCDMO CC(C)C[N@@H+](CC(N)=O)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876598317 705776333 /nfs/dbraw/zinc/77/63/33/705776333.db2.gz MWCMLKDXCSXBRN-UHFFFAOYSA-N 1 1 319.449 1.591 20 10 DDCDMO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cccc(Cl)c1O ZINC000827157888 705942215 /nfs/dbraw/zinc/94/22/15/705942215.db2.gz KYOCGORFQXYHLS-UHFFFAOYSA-N 1 1 313.829 1.497 20 10 DDCDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877481950 706119003 /nfs/dbraw/zinc/11/90/03/706119003.db2.gz YHJUQUWMESCYMJ-HUUCEWRRSA-N 1 1 309.406 1.546 20 10 DDCDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877494700 706122837 /nfs/dbraw/zinc/12/28/37/706122837.db2.gz ZHHAFGSRXWFTJG-GOSISDBHSA-N 1 1 317.433 1.345 20 10 DDCDMO C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(F)c(F)c1[O-] ZINC000877526913 706132212 /nfs/dbraw/zinc/13/22/12/706132212.db2.gz NCQZSTCCVJWFFF-UHFFFAOYSA-N 1 1 313.392 1.740 20 10 DDCDMO O=C1OC[C@H]2C[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]12 ZINC000877661227 706173391 /nfs/dbraw/zinc/17/33/91/706173391.db2.gz YKMNRMKJBYHJIR-RHSMWYFYSA-N 1 1 316.401 1.253 20 10 DDCDMO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccc(C)cc3O)C2)C1 ZINC000877712631 706185458 /nfs/dbraw/zinc/18/54/58/706185458.db2.gz QKAXXJIIEDHSLS-INIZCTEOSA-N 1 1 304.346 1.594 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877790794 706215448 /nfs/dbraw/zinc/21/54/48/706215448.db2.gz ONTLXILFRLNPLE-HOTGVXAUSA-N 1 1 322.474 1.928 20 10 DDCDMO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2coc(CN)c2)cc1 ZINC000832271941 706882854 /nfs/dbraw/zinc/88/28/54/706882854.db2.gz AEIMHGOSZUUCAC-HNNXBMFYSA-N 1 1 302.378 1.234 20 10 DDCDMO COC[C@@](C)(O)CC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000834843030 707135870 /nfs/dbraw/zinc/13/58/70/707135870.db2.gz GBVPZLNUNCHTDH-BZNIZROVSA-N 1 1 311.378 1.617 20 10 DDCDMO COC[C@](C)(O)CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000834843031 707135911 /nfs/dbraw/zinc/13/59/11/707135911.db2.gz GBVPZLNUNCHTDH-MEDUHNTESA-N 1 1 311.378 1.617 20 10 DDCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cnc(N)cn1 ZINC000873201678 707765000 /nfs/dbraw/zinc/76/50/00/707765000.db2.gz UXTYISIRWQDNNW-UHFFFAOYSA-N 1 1 313.405 1.527 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@](O)(CO)C2)cc1F ZINC000839160130 708031727 /nfs/dbraw/zinc/03/17/27/708031727.db2.gz QRNWVIIUKVJOAQ-KRWDZBQOSA-N 1 1 310.413 1.991 20 10 DDCDMO Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H](O)[C@H](CO)C2)c1 ZINC000839165645 708031995 /nfs/dbraw/zinc/03/19/95/708031995.db2.gz MMOXDMDSWMOZLZ-JQWIXIFHSA-N 1 1 316.195 1.248 20 10 DDCDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](O)[C@H](CO)C2)c1 ZINC000839165645 708031999 /nfs/dbraw/zinc/03/19/99/708031999.db2.gz MMOXDMDSWMOZLZ-JQWIXIFHSA-N 1 1 316.195 1.248 20 10 DDCDMO COc1cc(C)cc(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000897617917 708394987 /nfs/dbraw/zinc/39/49/87/708394987.db2.gz IBMIWWKGVCARMP-BETUJISGSA-N 1 1 311.403 1.186 20 10 DDCDMO C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1c(O)cccc1F ZINC000886522986 708772682 /nfs/dbraw/zinc/77/26/82/708772682.db2.gz USYFFRDADYKDTK-LBPRGKRZSA-N 1 1 309.385 1.346 20 10 DDCDMO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1c(O)cccc1F ZINC000886555721 708777133 /nfs/dbraw/zinc/77/71/33/708777133.db2.gz ZTQQLELNHCTGHL-WDEREUQCSA-N 1 1 316.398 1.606 20 10 DDCDMO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901124665 709935391 /nfs/dbraw/zinc/93/53/91/709935391.db2.gz XFIDSROVNPCMKX-KGLIPLIRSA-N 1 1 304.390 1.773 20 10 DDCDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000901131830 709938765 /nfs/dbraw/zinc/93/87/65/709938765.db2.gz PTPHALSAOUJUBE-UGSOOPFHSA-N 1 1 318.417 1.342 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCOC[C@H]1CC1CC1)[C@@H](O)CO2 ZINC000902537522 710786269 /nfs/dbraw/zinc/78/62/69/710786269.db2.gz NNNZUQRWGAQDBL-CJNGLKHVSA-N 1 1 305.374 1.819 20 10 DDCDMO COc1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)c(O)c1OC ZINC000893711247 710790216 /nfs/dbraw/zinc/79/02/16/710790216.db2.gz LYDNGCDMYBTCIG-INIZCTEOSA-N 1 1 307.346 1.691 20 10 DDCDMO COc1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)c(O)c1OC ZINC000893711247 710790221 /nfs/dbraw/zinc/79/02/21/710790221.db2.gz LYDNGCDMYBTCIG-INIZCTEOSA-N 1 1 307.346 1.691 20 10 DDCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1 ZINC000902602987 710811528 /nfs/dbraw/zinc/81/15/28/710811528.db2.gz CVSBFBIPEKNJGX-OCCSQVGLSA-N 1 1 312.435 1.365 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1C1OCCO1)[C@@H](O)CO2 ZINC000902624128 710823868 /nfs/dbraw/zinc/82/38/68/710823868.db2.gz DXWOBDWCUXLRTF-OCCSQVGLSA-N 1 1 307.346 1.155 20 10 DDCDMO COc1cc(C)cc(C[NH+]2CCN([C@H]3CCC[C@H]3O)CC2)c1O ZINC000894003372 710920173 /nfs/dbraw/zinc/92/01/73/710920173.db2.gz WDBDAFRITLSJHK-JKSUJKDBSA-N 1 1 320.433 1.740 20 10 DDCDMO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cn(C)nn1 ZINC000903057029 711019027 /nfs/dbraw/zinc/01/90/27/711019027.db2.gz ZQYIKAWXWGYMSV-CYBMUJFWSA-N 1 1 315.421 1.627 20 10 DDCDMO COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000895313582 711481246 /nfs/dbraw/zinc/48/12/46/711481246.db2.gz DBDOKCKVWSNLJH-KRWDZBQOSA-N 1 1 323.389 1.863 20 10 DDCDMO COC[C@]1(C(=O)OC)CCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000895313582 711481248 /nfs/dbraw/zinc/48/12/48/711481248.db2.gz DBDOKCKVWSNLJH-KRWDZBQOSA-N 1 1 323.389 1.863 20 10 DDCDMO COc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)c(O)c1OC ZINC000895316163 711481900 /nfs/dbraw/zinc/48/19/00/711481900.db2.gz CDOQGVKLBHKYMQ-GXSJLCMTSA-N 1 1 304.350 1.797 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)C2CN(C)CC[N@@H+](C)C2)cc1 ZINC000905449932 712040605 /nfs/dbraw/zinc/04/06/05/712040605.db2.gz ZZUDGMAFIYWJFA-UHFFFAOYSA-N 1 1 318.465 1.204 20 10 DDCDMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCc2cc(O)c(O)cc2O)C1 ZINC001181982618 743417288 /nfs/dbraw/zinc/41/72/88/743417288.db2.gz QXEIBNOAIWOXJV-GFCCVEGCSA-N 1 1 308.378 1.192 20 10 DDCDMO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)C[C@H]21 ZINC001203933274 747819502 /nfs/dbraw/zinc/81/95/02/747819502.db2.gz KADQDTYUXLSYSD-FVQHAEBGSA-N 1 1 301.434 1.955 20 10 DDCDMO O=C1CCC[C@]2(CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)N1 ZINC001144507890 772554628 /nfs/dbraw/zinc/55/46/28/772554628.db2.gz DYWIAJUMYUBMSI-MRXNPFEDSA-N 1 1 306.362 1.438 20 10 DDCDMO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1ccc(O)c(O)c1)C2 ZINC001172099463 776621772 /nfs/dbraw/zinc/62/17/72/776621772.db2.gz IBJATGLRUJVSEO-VWPFQQQWSA-N 1 1 306.406 1.736 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCCO1 ZINC001139673495 779581503 /nfs/dbraw/zinc/58/15/03/779581503.db2.gz IVDQCEFWRQSZSJ-INIZCTEOSA-N 1 1 306.406 1.825 20 10 DDCDMO 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COC[C@](C)(O)CC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000834843028 707135767 /nfs/dbraw/zinc/13/57/67/707135767.db2.gz GBVPZLNUNCHTDH-BDJLRTHQSA-N 1 1 311.378 1.617 20 10 DDCDMO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nnc3n2CCNC3=O)c(O)c1 ZINC000883304464 707972568 /nfs/dbraw/zinc/97/25/68/707972568.db2.gz XVTWELCVCNPYKZ-LLVKDONJSA-N 1 1 315.377 1.195 20 10 DDCDMO CC(C)N1CC[NH+](CCCC(=O)NCc2ccccc2O)CC1 ZINC000901124433 709935633 /nfs/dbraw/zinc/93/56/33/709935633.db2.gz NWLSVGQJOQTYMC-UHFFFAOYSA-N 1 1 319.449 1.815 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@H]3[C@H]2CCCN3CCO)c(O)cc1C ZINC000902644839 710837516 /nfs/dbraw/zinc/83/75/16/710837516.db2.gz QRJHUPSYJHIIRJ-CVEARBPZSA-N 1 1 320.433 1.740 20 10 DDCDMO COc1cc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(O)cc1C ZINC000902644839 710837518 /nfs/dbraw/zinc/83/75/18/710837518.db2.gz QRJHUPSYJHIIRJ-CVEARBPZSA-N 1 1 320.433 1.740 20 10 DDCDMO COc1cc(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(O)cc1C ZINC000902644839 710837519 /nfs/dbraw/zinc/83/75/19/710837519.db2.gz QRJHUPSYJHIIRJ-CVEARBPZSA-N 1 1 320.433 1.740 20 10 DDCDMO C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1c(O)cccc1F ZINC000903400110 711115084 /nfs/dbraw/zinc/11/50/84/711115084.db2.gz QYAKCBSFOOFSCV-WDEREUQCSA-N 1 1 318.352 1.956 20 10 DDCDMO COc1cc(C)cc(C[NH2+]Cc2nnnn2CC2CC2)c1O ZINC000894481558 711142660 /nfs/dbraw/zinc/14/26/60/711142660.db2.gz XPMLWJIKTZXPQU-UHFFFAOYSA-N 1 1 303.366 1.396 20 10 DDCDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894767740 711264382 /nfs/dbraw/zinc/26/43/82/711264382.db2.gz JJUUREQLBQPYKM-MRXNPFEDSA-N 1 1 311.378 1.240 20 10 DDCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2COCO2)c1 ZINC000894876081 711305029 /nfs/dbraw/zinc/30/50/29/711305029.db2.gz MZKRFCYWXVVJKE-JTQLQIEISA-N 1 1 302.168 1.926 20 10 DDCDMO C[C@@H]([NH2+]CC=Cc1ccc(N(C)C)cc1)C1N=NC(=O)N1C ZINC000895172819 711441467 /nfs/dbraw/zinc/44/14/67/711441467.db2.gz SGJXZXBDSOJNCG-FOQNGQEVSA-N 1 1 301.394 1.951 20 10 DDCDMO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1N=NC(=O)N1C ZINC000895185354 711447734 /nfs/dbraw/zinc/44/77/34/711447734.db2.gz ZNQCRTULFCGFBE-GFCCVEGCSA-N 1 1 317.393 1.208 20 10 DDCDMO COC[C@@]1(C)C[N@H+](Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000895674378 711574777 /nfs/dbraw/zinc/57/47/77/711574777.db2.gz YRTSCHYNMFCBTC-MRXNPFEDSA-N 1 1 311.378 1.647 20 10 DDCDMO COC[C@@]1(C)C[N@@H+](Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000895674378 711574780 /nfs/dbraw/zinc/57/47/80/711574780.db2.gz YRTSCHYNMFCBTC-MRXNPFEDSA-N 1 1 311.378 1.647 20 10 DDCDMO COc1cccc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1O ZINC000895722612 711588060 /nfs/dbraw/zinc/58/80/60/711588060.db2.gz XSPWGSIVGUPBOK-AWEZNQCLSA-N 1 1 307.390 1.764 20 10 DDCDMO COc1ccc(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(O)c1OC ZINC000895845344 711623721 /nfs/dbraw/zinc/62/37/21/711623721.db2.gz VIBODLHLKZKGPA-JSGCOSHPSA-N 1 1 306.406 1.935 20 10 DDCDMO COc1ccc(C[N@@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)c(O)c1OC ZINC000896002342 711662943 /nfs/dbraw/zinc/66/29/43/711662943.db2.gz HOXAYGXGALSZCL-OKILXGFUSA-N 1 1 320.389 1.320 20 10 DDCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@H]3C)CC2)cc1 ZINC000905974629 712206989 /nfs/dbraw/zinc/20/69/89/712206989.db2.gz LQVORQGMWDOKSX-RDJZCZTQSA-N 1 1 319.449 1.272 20 10 DDCDMO C[C@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000907493278 712585448 /nfs/dbraw/zinc/58/54/48/712585448.db2.gz PXULIRDIJBJWMO-KSSFIOAISA-N 1 1 319.449 1.777 20 10 DDCDMO CC[N@H+]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C[C@@H]1C ZINC000947497055 719187401 /nfs/dbraw/zinc/18/74/01/719187401.db2.gz GMPGXJRTTYCDQO-WCQYABFASA-N 1 1 307.394 1.701 20 10 DDCDMO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ncn[nH]3)C2)cc1C ZINC001020777423 732672642 /nfs/dbraw/zinc/67/26/42/732672642.db2.gz WSQCHEANKYBSLO-JOCQHMNTSA-N 1 1 315.377 1.172 20 10 DDCDMO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)cc1C ZINC001020777423 732672643 /nfs/dbraw/zinc/67/26/43/732672643.db2.gz WSQCHEANKYBSLO-JOCQHMNTSA-N 1 1 315.377 1.172 20 10 DDCDMO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)cc1C ZINC001022354581 734503380 /nfs/dbraw/zinc/50/33/80/734503380.db2.gz VGXDBQURGZEVKW-BETUJISGSA-N 1 1 315.377 1.172 20 10 DDCDMO Cn1ccc2c[nH+]c(NCCc3cc(O)c(O)cc3O)nc21 ZINC001168009837 740582675 /nfs/dbraw/zinc/58/26/75/740582675.db2.gz KHSVVTOCVZKNSC-UHFFFAOYSA-N 1 1 300.318 1.740 20 10 DDCDMO CN1CCN(c2ccc(CN3CCC[NH2+]CC3)c(F)c2)CC1 ZINC001204685108 741285470 /nfs/dbraw/zinc/28/54/70/741285470.db2.gz SYZQUVUJKPZHCN-UHFFFAOYSA-N 1 1 306.429 1.373 20 10 DDCDMO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CN(C)C)C2)c(O)c1 ZINC001203634360 744364099 /nfs/dbraw/zinc/36/40/99/744364099.db2.gz BBJIVNGMVXURMI-CQSZACIVSA-N 1 1 321.421 1.043 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)c1 ZINC001203684350 744710725 /nfs/dbraw/zinc/71/07/25/744710725.db2.gz TVTOXYYJFGMXHL-JKSUJKDBSA-N 1 1 324.396 1.645 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)c1 ZINC001203684350 744710726 /nfs/dbraw/zinc/71/07/26/744710726.db2.gz TVTOXYYJFGMXHL-JKSUJKDBSA-N 1 1 324.396 1.645 20 10 DDCDMO Cn1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC001199722175 747966591 /nfs/dbraw/zinc/96/65/91/747966591.db2.gz NKVBKJVHXQMOIJ-UHFFFAOYSA-N 1 1 318.396 1.810 20 10 DDCDMO COc1cc(O)c(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1OC ZINC000826889012 759417740 /nfs/dbraw/zinc/41/77/40/759417740.db2.gz PCMUCIWYYFNQJY-ONGXEEELSA-N 1 1 304.350 1.797 20 10 DDCDMO Oc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c(O)c1 ZINC001144509668 772557410 /nfs/dbraw/zinc/55/74/10/772557410.db2.gz HKJFWYLMRXEQSG-JKSUJKDBSA-N 1 1 315.369 1.981 20 10 DDCDMO CSc1ncc2c(n1)C[N@H+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144515161 772558054 /nfs/dbraw/zinc/55/80/54/772558054.db2.gz GFNBTCMTCYWGQP-UHFFFAOYSA-N 1 1 319.386 1.874 20 10 DDCDMO C[C@@H]1C(=O)N(C)CN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118268226 781080230 /nfs/dbraw/zinc/08/02/30/781080230.db2.gz UCGCHKAJSRBCBX-CYBMUJFWSA-N 1 1 320.412 1.198 20 10 DDCDMO COc1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c(O)c1OC ZINC001120052199 781739771 /nfs/dbraw/zinc/73/97/71/781739771.db2.gz MRVMLWHLUKZPFQ-LLVKDONJSA-N 1 1 315.391 1.028 20 10 DDCDMO COc1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c(O)c1OC ZINC001120052199 781739778 /nfs/dbraw/zinc/73/97/78/781739778.db2.gz MRVMLWHLUKZPFQ-LLVKDONJSA-N 1 1 315.391 1.028 20 10 DDCDMO COCCOCN1C[C@@H]2CC[N@@H+](Cc3ccc(C)cc3O)[C@@H]2C1 ZINC001276169586 854873885 /nfs/dbraw/zinc/87/38/85/854873885.db2.gz SQGTVXBMVZHASX-DOTOQJQBSA-N 1 1 320.433 1.827 20 10 DDCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001276354594 855711385 /nfs/dbraw/zinc/71/13/85/855711385.db2.gz YUISCXBXNXFNOP-XJKSGUPXSA-N 1 1 316.380 1.961 20 10 DDCDMO Oc1cccc(F)c1C[N@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001276354594 855711390 /nfs/dbraw/zinc/71/13/90/855711390.db2.gz YUISCXBXNXFNOP-XJKSGUPXSA-N 1 1 316.380 1.961 20 10 DDCDMO O=C1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]2CCCN12 ZINC001138498834 860119909 /nfs/dbraw/zinc/11/99/09/860119909.db2.gz HLNYRIFHDFMODS-QGZVFWFLSA-N 1 1 315.417 1.330 20 10 DDCDMO O=C1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]2CCCN12 ZINC001138498834 860119914 /nfs/dbraw/zinc/11/99/14/860119914.db2.gz HLNYRIFHDFMODS-QGZVFWFLSA-N 1 1 315.417 1.330 20 10 DDCDMO COc1cc(CN2CC[C@@H](C)[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139254615 860339359 /nfs/dbraw/zinc/33/93/59/860339359.db2.gz JNOLXELXZHCAIQ-IUODEOHRSA-N 1 1 308.422 1.665 20 10 DDCDMO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccc(C)cc3O)CC[C@@H]21 ZINC001140952076 860745749 /nfs/dbraw/zinc/74/57/49/860745749.db2.gz DDVNJNMFYFNVNB-WMZOPIPTSA-N 1 1 318.417 1.912 20 10 DDCDMO Cc1cncnc1O[C@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141162901 860798915 /nfs/dbraw/zinc/79/89/15/860798915.db2.gz KCNWUDPKLMCQEZ-AWEZNQCLSA-N 1 1 301.346 1.850 20 10 DDCDMO CC(C)[NH2+]CCC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001330983235 864753854 /nfs/dbraw/zinc/75/38/54/864753854.db2.gz OSNSXDAHTOYJJN-UHFFFAOYSA-N 1 1 318.465 1.443 20 10 DDCDMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1O ZINC001319729475 866257862 /nfs/dbraw/zinc/25/78/62/866257862.db2.gz QXUNFLMEACABSZ-MAUKXSAKSA-N 1 1 321.440 1.780 20 10 DDCDMO CN1CCN(c2ccc(CNC(=O)[C@H]([NH3+])CC3CC3)cc2)CC1 ZINC001333257802 866567402 /nfs/dbraw/zinc/56/74/02/866567402.db2.gz MUTMXLSXYQXZSX-QGZVFWFLSA-N 1 1 316.449 1.182 20 10 DDCDMO CN1CCN(c2ccc(CN3CCC[N@@H+](C)CC3)cc2F)CC1 ZINC001322761618 868370457 /nfs/dbraw/zinc/37/04/57/868370457.db2.gz FNVMNCFWLRDUOL-UHFFFAOYSA-N 1 1 320.456 1.715 20 10 DDCDMO CCOc1cccc(C[N@H+]2CCC(=O)N3CCC[C@H]3C2)c1O ZINC001203617312 870674298 /nfs/dbraw/zinc/67/42/98/870674298.db2.gz MXTDPLLKUVNELK-AWEZNQCLSA-N 1 1 304.390 1.988 20 10 DDCDMO CC[N@H+]1CCO[C@@H]2CN(Cc3ccc(N(C)C)cc3)C[C@@H]2C1 ZINC001203933032 870842098 /nfs/dbraw/zinc/84/20/98/870842098.db2.gz GIHBMTVUANVOME-FUHWJXTLSA-N 1 1 303.450 1.905 20 10 DDCDMO CCN1CCO[C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3)C[C@@H]2C1 ZINC001203933032 870842102 /nfs/dbraw/zinc/84/21/02/870842102.db2.gz GIHBMTVUANVOME-FUHWJXTLSA-N 1 1 303.450 1.905 20 10 DDCDMO CCN1CCO[C@@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)C[C@@H]2C1 ZINC001203933032 870842106 /nfs/dbraw/zinc/84/21/06/870842106.db2.gz 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COC[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000093528608 407198335 /nfs/dbraw/zinc/19/83/35/407198335.db2.gz IBGXQJUFRGUEAC-KRWDZBQOSA-N 1 1 306.406 1.370 20 10 DDCDMO O=S(=O)([C@@H]1CC[N@H+](Cc2ccccc2O)C1)N1CCCC1 ZINC000179586765 407810327 /nfs/dbraw/zinc/81/03/27/407810327.db2.gz HQKZNZCUUOTSDQ-CQSZACIVSA-N 1 1 310.419 1.392 20 10 DDCDMO Cn1nncc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121294601 408179879 /nfs/dbraw/zinc/17/98/79/408179879.db2.gz FUKCLBKSRPLYGX-UHFFFAOYSA-N 1 1 301.394 1.284 20 10 DDCDMO Cn1nncc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121294601 408179885 /nfs/dbraw/zinc/17/98/85/408179885.db2.gz FUKCLBKSRPLYGX-UHFFFAOYSA-N 1 1 301.394 1.284 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273464374 408210495 /nfs/dbraw/zinc/21/04/95/408210495.db2.gz IOMAJSGKDUIXTF-WCQYABFASA-N 1 1 320.389 1.839 20 10 DDCDMO C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1ccccc1O ZINC000264608069 408539096 /nfs/dbraw/zinc/53/90/96/408539096.db2.gz MOHBNXCAWNWXHU-NVXWUHKLSA-N 1 1 318.417 1.994 20 10 DDCDMO COc1ccc(N2CC[NH+](CCNC(=O)N(C)OC)CC2)cc1 ZINC000277309597 408916920 /nfs/dbraw/zinc/91/69/20/408916920.db2.gz UXFISZIIJQDRDO-UHFFFAOYSA-N 1 1 322.409 1.020 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1 ZINC000292677779 409039844 /nfs/dbraw/zinc/03/98/44/409039844.db2.gz AKGHIJAMQCCUFD-GFCCVEGCSA-N 1 1 313.419 1.657 20 10 DDCDMO COc1cccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)c1O ZINC000292892410 409045596 /nfs/dbraw/zinc/04/55/96/409045596.db2.gz ZEJVGAXPFKHJQD-UHFFFAOYSA-N 1 1 313.419 1.657 20 10 DDCDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278227656 409077931 /nfs/dbraw/zinc/07/79/31/409077931.db2.gz MKPYXRNZOHBNRZ-LLVKDONJSA-N 1 1 324.333 1.837 20 10 DDCDMO COc1c(O)c(C[N@H+](C)[C@@H](C)C[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000278468602 409084297 /nfs/dbraw/zinc/08/42/97/409084297.db2.gz GTCLSRDLGVYLKC-JLTPVHFHSA-N 1 1 316.379 1.508 20 10 DDCDMO COc1c(O)c(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000278468602 409084300 /nfs/dbraw/zinc/08/43/00/409084300.db2.gz GTCLSRDLGVYLKC-JLTPVHFHSA-N 1 1 316.379 1.508 20 10 DDCDMO COc1c(O)c(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000293897926 409203148 /nfs/dbraw/zinc/20/31/48/409203148.db2.gz FEPZBEUSDMVVFO-BONVTDFDSA-N 1 1 310.350 1.950 20 10 DDCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000280360608 409299543 /nfs/dbraw/zinc/29/95/43/409299543.db2.gz VJAMKNDOWYFGHJ-RISCZKNCSA-N 1 1 304.390 1.772 20 10 DDCDMO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cccc(O)c1O ZINC000366163294 418436076 /nfs/dbraw/zinc/43/60/76/418436076.db2.gz WCKAINZOZRPDHB-UONOGXRCSA-N 1 1 320.389 1.471 20 10 DDCDMO CCOc1cccc(CN2CCC[N@H+]([C@H](C)CO)CC2)c1O ZINC000373735202 418452926 /nfs/dbraw/zinc/45/29/26/418452926.db2.gz YCJQRQFLYSXEBH-CQSZACIVSA-N 1 1 308.422 1.679 20 10 DDCDMO CCOc1cccc(C[N@@H+]2CCCN([C@H](C)CO)CC2)c1O ZINC000373735202 418452930 /nfs/dbraw/zinc/45/29/30/418452930.db2.gz YCJQRQFLYSXEBH-CQSZACIVSA-N 1 1 308.422 1.679 20 10 DDCDMO CCOc1cccc(C[N@H+]2CCCN([C@H](C)CO)CC2)c1O ZINC000373735202 418452934 /nfs/dbraw/zinc/45/29/34/418452934.db2.gz YCJQRQFLYSXEBH-CQSZACIVSA-N 1 1 308.422 1.679 20 10 DDCDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000360539480 418459602 /nfs/dbraw/zinc/45/96/02/418459602.db2.gz SUERWORNDDWLAR-CQSZACIVSA-N 1 1 312.435 1.523 20 10 DDCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCc3nnc(N)cc3C2)c1 ZINC000366657409 418500213 /nfs/dbraw/zinc/50/02/13/418500213.db2.gz GHCILGNCIGADSV-JTQLQIEISA-N 1 1 300.362 1.892 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000290507180 418576906 /nfs/dbraw/zinc/57/69/06/418576906.db2.gz PJOIPXWHXKQGQS-ZDUSSCGKSA-N 1 1 304.390 1.845 20 10 DDCDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)nn1 ZINC000363915639 418770878 /nfs/dbraw/zinc/77/08/78/418770878.db2.gz ANOMKYKRZWEZDG-GFCCVEGCSA-N 1 1 320.324 1.356 20 10 DDCDMO CCOC(=O)[C@@](C)(O)C[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000364289235 418775505 /nfs/dbraw/zinc/77/55/05/418775505.db2.gz 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ZINC000273521676 536793744 /nfs/dbraw/zinc/79/37/44/536793744.db2.gz UOZKRVSOTXPBMW-ZBEGNZNMSA-N 1 1 323.389 1.617 20 10 DDCDMO COc1ccc(N2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000748560127 700125512 /nfs/dbraw/zinc/12/55/12/700125512.db2.gz GPVNALZIGYROSD-KRWDZBQOSA-N 1 1 317.433 1.828 20 10 DDCDMO COCCCNC(=O)C[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000159948684 697313588 /nfs/dbraw/zinc/31/35/88/697313588.db2.gz RUILCOCQTHKLDM-UHFFFAOYSA-N 1 1 310.394 1.294 20 10 DDCDMO COCCCNC(=O)C[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000159948684 697313590 /nfs/dbraw/zinc/31/35/90/697313590.db2.gz RUILCOCQTHKLDM-UHFFFAOYSA-N 1 1 310.394 1.294 20 10 DDCDMO O=C1OCCN1CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000749295981 700155173 /nfs/dbraw/zinc/15/51/73/700155173.db2.gz DEELHKNVZWZUKY-OAHLLOKOSA-N 1 1 320.389 1.825 20 10 DDCDMO C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1O ZINC000186818003 697538489 /nfs/dbraw/zinc/53/84/89/697538489.db2.gz QSDHDQWXQABXAN-YOEHRIQHSA-N 1 1 319.449 1.414 20 10 DDCDMO COCCN1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)CC1=O ZINC000189289279 697574177 /nfs/dbraw/zinc/57/41/77/697574177.db2.gz KGCVDRHVDCVIGZ-UHFFFAOYSA-N 1 1 318.417 1.562 20 10 DDCDMO COCCOC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775025984 697956057 /nfs/dbraw/zinc/95/60/57/697956057.db2.gz YEBIGVGHICNKKI-JTQLQIEISA-N 1 1 314.338 1.450 20 10 DDCDMO Cn1ccnc1CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000779014273 698390366 /nfs/dbraw/zinc/39/03/66/698390366.db2.gz NNEFUKCKQNVQQA-UHFFFAOYSA-N 1 1 304.369 1.583 20 10 DDCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)CCO)cc2F)CC1 ZINC000779341321 698415033 /nfs/dbraw/zinc/41/50/33/698415033.db2.gz OTEWFTWAVUEZHO-CQSZACIVSA-N 1 1 309.429 1.828 20 10 DDCDMO CC[N@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779507280 698429094 /nfs/dbraw/zinc/42/90/94/698429094.db2.gz YICPXTKYVLCLHX-IZPAUZPXSA-N 1 1 304.390 1.959 20 10 DDCDMO CCNC(=O)C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000781625277 698635268 /nfs/dbraw/zinc/63/52/68/698635268.db2.gz VWJHUBZURKTZBA-UHFFFAOYSA-N 1 1 301.184 1.689 20 10 DDCDMO C[C@H]1CN(CC[NH2+]Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000790960710 699604851 /nfs/dbraw/zinc/60/48/51/699604851.db2.gz ZRQNRYVRFNWQCW-JTQLQIEISA-N 1 1 302.777 1.995 20 10 DDCDMO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000734662207 699658396 /nfs/dbraw/zinc/65/83/96/699658396.db2.gz WMEKMHXSXRKYKH-HNNXBMFYSA-N 1 1 304.438 1.954 20 10 DDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H](C)C[C@H]1C)cc2=O ZINC000740883332 699804983 /nfs/dbraw/zinc/80/49/83/699804983.db2.gz NNCOVVBJJDCSBK-WDEREUQCSA-N 1 1 318.377 1.842 20 10 DDCDMO COc1ccc(CNC(=O)CCCC[NH+]2CCOCC2)c(O)c1 ZINC000794384273 699806589 /nfs/dbraw/zinc/80/65/89/699806589.db2.gz YIKRSJHPEYAQMP-UHFFFAOYSA-N 1 1 322.405 1.520 20 10 DDCDMO COC[C@H](O)C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000801733193 700335189 /nfs/dbraw/zinc/33/51/89/700335189.db2.gz RDABINFLUUMGQD-SNVBAGLBSA-N 1 1 304.184 1.560 20 10 DDCDMO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C[C@H]1CCOC1 ZINC000764198173 700963393 /nfs/dbraw/zinc/96/33/93/700963393.db2.gz RVOIJVNUPDXDLD-MRXNPFEDSA-N 1 1 319.449 1.727 20 10 DDCDMO Cc1ccc(O)c(C[NH+]2CCN(C(=O)c3cccn3C)CC2)c1 ZINC000768218940 701164402 /nfs/dbraw/zinc/16/44/02/701164402.db2.gz CXZTYGNQKSRBJO-UHFFFAOYSA-N 1 1 313.401 1.997 20 10 DDCDMO CCn1cc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cn1 ZINC000768448620 701177854 /nfs/dbraw/zinc/17/78/54/701177854.db2.gz TYTHFYJKIMBMBQ-HNNXBMFYSA-N 1 1 303.362 1.666 20 10 DDCDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000769533423 701248520 /nfs/dbraw/zinc/24/85/20/701248520.db2.gz NTDDHCNPJZOFPL-OAHLLOKOSA-N 1 1 311.451 1.266 20 10 DDCDMO COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000879155081 706601026 /nfs/dbraw/zinc/60/10/26/706601026.db2.gz VVXSZENQMOCRGT-WBVHZDCISA-N 1 1 306.406 1.905 20 10 DDCDMO COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000879155081 706601028 /nfs/dbraw/zinc/60/10/28/706601028.db2.gz VVXSZENQMOCRGT-WBVHZDCISA-N 1 1 306.406 1.905 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+](C)[C@H]2CCCOC2)cc1 ZINC000839601866 701749867 /nfs/dbraw/zinc/74/98/67/701749867.db2.gz VCWXJQKQYMEIPP-INIZCTEOSA-N 1 1 305.422 1.480 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)[C@H]2CCCOC2)cc1 ZINC000839601866 701749873 /nfs/dbraw/zinc/74/98/73/701749873.db2.gz VCWXJQKQYMEIPP-INIZCTEOSA-N 1 1 305.422 1.480 20 10 DDCDMO COC[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839616929 701755503 /nfs/dbraw/zinc/75/55/03/701755503.db2.gz XQBPCEZXMZKOQQ-QGZVFWFLSA-N 1 1 319.449 1.870 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+]1C[C@]3(CCCO3)[C@@H]1C1CC1)[C@@H](O)CO2 ZINC000840097523 701968166 /nfs/dbraw/zinc/96/81/66/701968166.db2.gz PEOZSRXNERZMQR-RYQLBKOJSA-N 1 1 317.385 1.961 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1C[C@]3(CCCO3)[C@@H]1C1CC1)[C@@H](O)CO2 ZINC000840097523 701968170 /nfs/dbraw/zinc/96/81/70/701968170.db2.gz PEOZSRXNERZMQR-RYQLBKOJSA-N 1 1 317.385 1.961 20 10 DDCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1O ZINC000840144958 701994314 /nfs/dbraw/zinc/99/43/14/701994314.db2.gz BHZCUFYKDDPMHW-AWEZNQCLSA-N 1 1 321.421 1.945 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000840915933 702278628 /nfs/dbraw/zinc/27/86/28/702278628.db2.gz HWROQLVMZXHIEU-UHFFFAOYSA-N 1 1 312.417 1.713 20 10 DDCDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000840976516 702299420 /nfs/dbraw/zinc/29/94/20/702299420.db2.gz FZOLHBYDCXURQW-LBPRGKRZSA-N 1 1 311.403 1.739 20 10 DDCDMO C[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000817278469 702324578 /nfs/dbraw/zinc/32/45/78/702324578.db2.gz WOOKSIGJAWPCPU-GOEBONIOSA-N 1 1 319.449 1.319 20 10 DDCDMO Oc1ccc(Br)cc1CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000841080729 702338377 /nfs/dbraw/zinc/33/83/77/702338377.db2.gz YBPMYKORZUDXBU-QWRGUYRKSA-N 1 1 303.175 1.944 20 10 DDCDMO COc1c([O-])c(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841089858 702342560 /nfs/dbraw/zinc/34/25/60/702342560.db2.gz AZYTVPNUOPUQOL-MEBBXXQBSA-N 1 1 309.366 1.726 20 10 DDCDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000841297940 702416616 /nfs/dbraw/zinc/41/66/16/702416616.db2.gz VVPBPTIMUOAXQW-BETUJISGSA-N 1 1 306.410 1.842 20 10 DDCDMO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000841297940 702416619 /nfs/dbraw/zinc/41/66/19/702416619.db2.gz VVPBPTIMUOAXQW-BETUJISGSA-N 1 1 306.410 1.842 20 10 DDCDMO CN(C)c1ccc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000813822959 702421322 /nfs/dbraw/zinc/42/13/22/702421322.db2.gz CLEFRXVRMSIWMP-HOCLYGCPSA-N 1 1 302.422 1.598 20 10 DDCDMO CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817945538 702532189 /nfs/dbraw/zinc/53/21/89/702532189.db2.gz FVPIROYXVWGNKL-ZDUSSCGKSA-N 1 1 311.813 1.518 20 10 DDCDMO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNCC2)c2c1c(F)ccc2O ZINC000817946139 702532694 /nfs/dbraw/zinc/53/26/94/702532694.db2.gz SBXQSBGLTRVAHQ-CMPLNLGQSA-N 1 1 307.369 1.101 20 10 DDCDMO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cccc(Cl)c1O ZINC000843121723 702823616 /nfs/dbraw/zinc/82/36/16/702823616.db2.gz IWTKCEFQRHORQU-CYBMUJFWSA-N 1 1 306.797 1.926 20 10 DDCDMO COc1c([O-])c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000843123941 702824539 /nfs/dbraw/zinc/82/45/39/702824539.db2.gz SLGVZRYBPYDJOW-MRXNPFEDSA-N 1 1 321.377 1.885 20 10 DDCDMO COc1c([O-])c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000843123941 702824542 /nfs/dbraw/zinc/82/45/42/702824542.db2.gz SLGVZRYBPYDJOW-MRXNPFEDSA-N 1 1 321.377 1.885 20 10 DDCDMO CC[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(F)cc1O ZINC000866520296 706719565 /nfs/dbraw/zinc/71/95/65/706719565.db2.gz FOANGZNAVVMAIU-CJNGLKHVSA-N 1 1 324.352 1.793 20 10 DDCDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846052143 703231002 /nfs/dbraw/zinc/23/10/02/703231002.db2.gz BGANEFDFQFVEKS-HUUCEWRRSA-N 1 1 324.396 1.244 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@@]2(O)CCCOC2)c1 ZINC000846213473 703251616 /nfs/dbraw/zinc/25/16/16/703251616.db2.gz PDDQVEZUVULOJB-SJCJKPOMSA-N 1 1 323.389 1.761 20 10 DDCDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2cccc(O)c2O)CC1 ZINC000846640028 703306141 /nfs/dbraw/zinc/30/61/41/703306141.db2.gz SYENHYHGGHQCLY-UHFFFAOYSA-N 1 1 321.421 1.244 20 10 DDCDMO COc1ccc(N2CCC[N@@H+](CC[C@@H]3CCNC3=O)CC2)cc1 ZINC000846777498 703330087 /nfs/dbraw/zinc/33/00/87/703330087.db2.gz KDTFRCPSATWOJB-HNNXBMFYSA-N 1 1 317.433 1.734 20 10 DDCDMO C[C@H](CNC(=O)Nc1ccc(N)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848595083 703567305 /nfs/dbraw/zinc/56/73/05/703567305.db2.gz SJXXXTKGBOEOQQ-UPJWGTAASA-N 1 1 306.410 1.888 20 10 DDCDMO C[C@H](CNC(=O)Nc1ccc(N)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848595083 703567306 /nfs/dbraw/zinc/56/73/06/703567306.db2.gz SJXXXTKGBOEOQQ-UPJWGTAASA-N 1 1 306.410 1.888 20 10 DDCDMO COc1ccnc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1F ZINC000850380452 703728462 /nfs/dbraw/zinc/72/84/62/703728462.db2.gz GFJXVZIVRWEVJF-UHFFFAOYSA-N 1 1 306.293 1.953 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCC3=C(CCC(=O)N3)C2)cc1OC ZINC000853519958 704257613 /nfs/dbraw/zinc/25/76/13/704257613.db2.gz KZDHQSJUPVVKFR-UHFFFAOYSA-N 1 1 318.373 1.779 20 10 DDCDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)CC[C@H]2N1 ZINC000853556004 704268102 /nfs/dbraw/zinc/26/81/02/704268102.db2.gz UXZIVBUGBFGDSA-GDBMZVCRSA-N 1 1 300.402 1.981 20 10 DDCDMO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858135838 704669550 /nfs/dbraw/zinc/66/95/50/704669550.db2.gz DXBTVOVMKAEMBY-JTQLQIEISA-N 1 1 320.405 1.944 20 10 DDCDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000859557278 704937053 /nfs/dbraw/zinc/93/70/53/704937053.db2.gz SMIPIILOTNOWSA-QGZVFWFLSA-N 1 1 306.406 1.825 20 10 DDCDMO C[NH+](C)C1(CS(=O)(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000867464121 707009936 /nfs/dbraw/zinc/00/99/36/707009936.db2.gz YFTWGLIQLASBEH-UHFFFAOYSA-N 1 1 318.826 1.559 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)OCO2 ZINC000825123818 705604436 /nfs/dbraw/zinc/60/44/36/705604436.db2.gz CQHKJJDZKGNQDG-SDBXPKJASA-N 1 1 319.279 1.866 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@](OC)(C(=O)OC)C2)c1 ZINC000862474253 705720796 /nfs/dbraw/zinc/72/07/96/705720796.db2.gz OYKPQKMNTHTAIY-MRXNPFEDSA-N 1 1 309.362 1.555 20 10 DDCDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000862475367 705721609 /nfs/dbraw/zinc/72/16/09/705721609.db2.gz IHLVWEUMTLYTNU-QGZVFWFLSA-N 1 1 306.406 1.825 20 10 DDCDMO COc1c(O)c(C[NH2+]CCN(C)CC(F)F)ccc1[N+](=O)[O-] ZINC000862549822 705731352 /nfs/dbraw/zinc/73/13/52/705731352.db2.gz FVBMSDNCBYSJIC-UHFFFAOYSA-N 1 1 319.308 1.596 20 10 DDCDMO CN1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876509352 705739545 /nfs/dbraw/zinc/73/95/45/705739545.db2.gz BPRWUUVIICAKGH-UHFFFAOYSA-N 1 1 303.450 1.785 20 10 DDCDMO C[N@@H+]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876509352 705739547 /nfs/dbraw/zinc/73/95/47/705739547.db2.gz BPRWUUVIICAKGH-UHFFFAOYSA-N 1 1 303.450 1.785 20 10 DDCDMO C[N@H+]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876509352 705739549 /nfs/dbraw/zinc/73/95/49/705739549.db2.gz BPRWUUVIICAKGH-UHFFFAOYSA-N 1 1 303.450 1.785 20 10 DDCDMO NC(=O)C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000863325757 705902327 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CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(CN)o2)cc1 ZINC000832267676 706882315 /nfs/dbraw/zinc/88/23/15/706882315.db2.gz ZBBRZDUQMTVEPK-CQSZACIVSA-N 1 1 302.378 1.234 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CNC(=O)C2)c1 ZINC000926983507 712926929 /nfs/dbraw/zinc/92/69/29/712926929.db2.gz WVQYOYDVOQZOLC-MNOVXSKESA-N 1 1 306.362 1.356 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000835026896 707157860 /nfs/dbraw/zinc/15/78/60/707157860.db2.gz YJPOXSTYJXVJMA-MBVDDHJVSA-N 1 1 323.462 1.389 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000835026896 707157862 /nfs/dbraw/zinc/15/78/62/707157862.db2.gz YJPOXSTYJXVJMA-MBVDDHJVSA-N 1 1 323.462 1.389 20 10 DDCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000835026894 707158039 /nfs/dbraw/zinc/15/80/39/707158039.db2.gz YJPOXSTYJXVJMA-FOSCPCJNSA-N 1 1 323.462 1.389 20 10 DDCDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000835026894 707158043 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1.776 20 10 DDCDMO Oc1ccccc1CN1CCC([NH2+]CC2(O)CCOCC2)CC1 ZINC001252975998 895596315 /nfs/dbraw/zinc/59/63/15/895596315.db2.gz RSSIGEQCTZVBKI-UHFFFAOYSA-N 1 1 320.433 1.488 20 10 DDCDMO C[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)S(C)(=O)=O ZINC001335313397 915463264 /nfs/dbraw/zinc/46/32/64/915463264.db2.gz HQHJLNFUYZRPAK-SECBINFHSA-N 1 1 306.378 1.554 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1 ZINC000273587919 130141115 /nfs/dbraw/zinc/14/11/15/130141115.db2.gz OHRDVRVZJRRCEE-MEBBXXQBSA-N 1 1 319.361 1.297 20 10 DDCDMO CN1CCN(CCC[N@H+](C)Cc2cc3c(cc2O)OCO3)CC1 ZINC000289484317 131390146 /nfs/dbraw/zinc/39/01/46/131390146.db2.gz QXYNROLKJIZWEI-UHFFFAOYSA-N 1 1 321.421 1.190 20 10 DDCDMO CN1CCN(CCC[N@@H+](C)Cc2cc3c(cc2O)OCO3)CC1 ZINC000289484317 131390148 /nfs/dbraw/zinc/39/01/48/131390148.db2.gz QXYNROLKJIZWEI-UHFFFAOYSA-N 1 1 321.421 1.190 20 10 DDCDMO CCCOc1ccc(C[NH+]2CC(N3CCNC3=O)C2)c(O)c1 ZINC000298038956 132044741 /nfs/dbraw/zinc/04/47/41/132044741.db2.gz 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20 10 DDCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000835030559 707158844 /nfs/dbraw/zinc/15/88/44/707158844.db2.gz ZKCZNAZCXOBYEC-MJSXRHKHSA-N 1 1 300.406 1.475 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCO[C@H]2CCOC2)c1 ZINC000927080392 712939045 /nfs/dbraw/zinc/93/90/45/712939045.db2.gz KUCOZDHGIPCVNP-AAEUAGOBSA-N 1 1 309.362 1.635 20 10 DDCDMO Cn1cncc1CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000838785243 707977810 /nfs/dbraw/zinc/97/78/10/707977810.db2.gz GSWKNBQBQVGPIZ-UHFFFAOYSA-N 1 1 314.433 1.931 20 10 DDCDMO CC[N@H+]1CCC[C@H]1CNC(=S)NCCc1ccc(O)c(O)c1 ZINC000884003909 708098156 /nfs/dbraw/zinc/09/81/56/708098156.db2.gz SYBIMKOXFDKDOC-ZDUSSCGKSA-N 1 1 323.462 1.589 20 10 DDCDMO CCO[C@H](CNCc1cc(OC)c(OC)cc1O)C[NH+](C)C ZINC000896879665 708171068 /nfs/dbraw/zinc/17/10/68/708171068.db2.gz DMDNGTVSTQCZGQ-CYBMUJFWSA-N 1 1 312.410 1.466 20 10 DDCDMO COc1c(O)c(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000897620523 708396843 /nfs/dbraw/zinc/39/68/43/708396843.db2.gz RVCOFGHULYAIAO-BLLLJJGKSA-N 1 1 321.377 1.693 20 10 DDCDMO CN(C)c1ccc(/C=C\CN2CCN(C)CC[N@@H+](C)CC2)cc1 ZINC000897858109 708472040 /nfs/dbraw/zinc/47/20/40/708472040.db2.gz BROWKVIWRKUSBS-WAYWQWQTSA-N 1 1 316.493 1.945 20 10 DDCDMO COc1ccc(C[N@@H+](CCO)C2CCN(C)CC2)c(O)c1OC ZINC000891401977 710186563 /nfs/dbraw/zinc/18/65/63/710186563.db2.gz MIQCVNHZDRCTDQ-UHFFFAOYSA-N 1 1 324.421 1.298 20 10 DDCDMO COc1cc(C)cc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1O ZINC000894242721 711031552 /nfs/dbraw/zinc/03/15/52/711031552.db2.gz URFXJSMTBMDFEB-LSDHHAIUSA-N 1 1 306.406 1.662 20 10 DDCDMO COc1cc(C)cc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1O ZINC000894242721 711031555 /nfs/dbraw/zinc/03/15/55/711031555.db2.gz URFXJSMTBMDFEB-LSDHHAIUSA-N 1 1 306.406 1.662 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCNC(=O)CC2(C)C)cc1OC ZINC000895400444 711502979 /nfs/dbraw/zinc/50/29/79/711502979.db2.gz RAAJDSTYYILYFF-UHFFFAOYSA-N 1 1 308.378 1.510 20 10 DDCDMO C[C@@H]1[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CC[N@H+]1C ZINC000915390800 713418142 /nfs/dbraw/zinc/41/81/42/713418142.db2.gz QMZWZBUSYDENMF-CZUORRHYSA-N 1 1 316.449 1.961 20 10 DDCDMO COCC(COC)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000929315065 713587941 /nfs/dbraw/zinc/58/79/41/713587941.db2.gz IITNCIJVMOQLQS-UHFFFAOYSA-N 1 1 308.422 1.869 20 10 DDCDMO C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000932349525 714316424 /nfs/dbraw/zinc/31/64/24/714316424.db2.gz GJLMKJKJXVZOKN-HNNXBMFYSA-N 1 1 319.449 1.822 20 10 DDCDMO C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000932349525 714316426 /nfs/dbraw/zinc/31/64/26/714316426.db2.gz GJLMKJKJXVZOKN-HNNXBMFYSA-N 1 1 319.449 1.822 20 10 DDCDMO Cc1cc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1N(C)C ZINC000923353589 714324445 /nfs/dbraw/zinc/32/44/45/714324445.db2.gz KFGOMPMQIIEZNI-QGZVFWFLSA-N 1 1 302.466 1.541 20 10 DDCDMO O=C1COC2(CC[NH+](Cc3cc(F)c(F)cc3O)CC2)CN1 ZINC001142527546 742145667 /nfs/dbraw/zinc/14/56/67/742145667.db2.gz YPULMSQSFZGGKG-UHFFFAOYSA-N 1 1 312.316 1.151 20 10 DDCDMO OC1CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000876818874 749327752 /nfs/dbraw/zinc/32/77/52/749327752.db2.gz ZNFJBFKNVSEMRL-IYBDPMFKSA-N 1 1 301.434 1.299 20 10 DDCDMO Oc1cc(O)c(C[NH+]2CCN(CC(F)(F)F)CC2)c(O)c1 ZINC001144514653 772558472 /nfs/dbraw/zinc/55/84/72/772558472.db2.gz NLSDJCAJGDCLBO-UHFFFAOYSA-N 1 1 306.284 1.483 20 10 DDCDMO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144516341 772559032 /nfs/dbraw/zinc/55/90/32/772559032.db2.gz VPYVLHDUPSULOD-LLVKDONJSA-N 1 1 308.378 1.540 20 10 DDCDMO CN(C1=CCC[N@H+](C)C1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001175580388 777847258 /nfs/dbraw/zinc/84/72/58/777847258.db2.gz ZRZFUGMCHVKIBC-UHFFFAOYSA-N 1 1 309.435 1.292 20 10 DDCDMO CN(C1=CCC[N@@H+](C)C1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001175580388 777847266 /nfs/dbraw/zinc/84/72/66/777847266.db2.gz ZRZFUGMCHVKIBC-UHFFFAOYSA-N 1 1 309.435 1.292 20 10 DDCDMO CCOc1ccc(N2CC[NH+](C[C@H]3CN(C)C(=O)O3)CC2)cc1 ZINC001117746401 780894168 /nfs/dbraw/zinc/89/41/68/780894168.db2.gz VTEUHSSRKOHGGT-MRXNPFEDSA-N 1 1 319.405 1.658 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2C3CCC2(CO)CC3)cc1 ZINC001119922574 781682382 /nfs/dbraw/zinc/68/23/82/781682382.db2.gz SWPCWYBMSLRQHD-UHFFFAOYSA-N 1 1 317.433 1.358 20 10 DDCDMO Nc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc[nH+]1 ZINC001326514722 861420377 /nfs/dbraw/zinc/42/03/77/861420377.db2.gz RNKDRMYBCLOZKY-UHFFFAOYSA-N 1 1 317.368 1.771 20 10 DDCDMO Nc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)[nH+]cn1 ZINC001326514722 861420390 /nfs/dbraw/zinc/42/03/90/861420390.db2.gz RNKDRMYBCLOZKY-UHFFFAOYSA-N 1 1 317.368 1.771 20 10 DDCDMO CC[N@H+]1CC[C@]2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001272444624 846142780 /nfs/dbraw/zinc/14/27/80/846142780.db2.gz DLLARZKHOXJREX-SFHVURJKSA-N 1 1 317.433 1.576 20 10 DDCDMO CN(C)c1ccc(CN2C[C@@]3(CC2=O)COCC[N@@H+](C)C3)cc1 ZINC001273526487 851061281 /nfs/dbraw/zinc/06/12/81/851061281.db2.gz GKSQSDXSVZCSQD-SFHVURJKSA-N 1 1 317.433 1.433 20 10 DDCDMO Oc1ccccc1C[N@H+]1CC[C@H]2[C@@H]1CCN2CCn1ccnc1 ZINC001275266910 852940409 /nfs/dbraw/zinc/94/04/09/852940409.db2.gz FKMLXYNYWORBQT-IRXDYDNUSA-N 1 1 312.417 1.938 20 10 DDCDMO COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001275821321 853817422 /nfs/dbraw/zinc/81/74/22/853817422.db2.gz NSTXZMZQORICTP-CABCVRRESA-N 1 1 322.405 1.224 20 10 DDCDMO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c(O)c1 ZINC001276169854 854874474 /nfs/dbraw/zinc/87/44/74/854874474.db2.gz YIRXYCYKTSHGHA-IYBDPMFKSA-N 1 1 317.433 1.437 20 10 DDCDMO CC(=O)N(C)C1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138498753 860118841 /nfs/dbraw/zinc/11/88/41/860118841.db2.gz CNJVBJVXIFFHMM-UHFFFAOYSA-N 1 1 303.406 1.186 20 10 DDCDMO COc1ccnc(O[C@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)n1 ZINC001140056392 860566633 /nfs/dbraw/zinc/56/66/33/860566633.db2.gz UVEQHSAMNWJFSV-ZDUSSCGKSA-N 1 1 319.336 1.983 20 10 DDCDMO OC[C@H]1CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C[C@@H]1O ZINC001141074445 860782514 /nfs/dbraw/zinc/78/25/14/860782514.db2.gz HXDUPYRHMUOULH-MSOLQXFVSA-N 1 1 316.445 1.561 20 10 DDCDMO Oc1ccc(O)c(C[N@H+]2CCC[C@@H](Oc3ncccn3)C2)c1 ZINC001141162870 860799192 /nfs/dbraw/zinc/79/91/92/860799192.db2.gz IOTDFRZSMMENKA-CQSZACIVSA-N 1 1 301.346 1.931 20 10 DDCDMO COc1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(O)c1OC ZINC001334168162 867347838 /nfs/dbraw/zinc/34/78/38/867347838.db2.gz JHQKOOQHZYCBKD-ZIAGYGMSSA-N 1 1 322.405 1.362 20 10 DDCDMO COc1ccc(CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(O)c1OC ZINC001334168162 867347857 /nfs/dbraw/zinc/34/78/57/867347857.db2.gz JHQKOOQHZYCBKD-ZIAGYGMSSA-N 1 1 322.405 1.362 20 10 DDCDMO Nc1nc(NCc2ccc(N3CCC(O)CC3)c(F)c2)cc[nH+]1 ZINC001336987624 869246889 /nfs/dbraw/zinc/24/68/89/869246889.db2.gz RQJLDNOIVBAFLG-UHFFFAOYSA-N 1 1 317.368 1.771 20 10 DDCDMO COC1(OC)CCOC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC001203530770 870617471 /nfs/dbraw/zinc/61/74/71/870617471.db2.gz ZJXAMYWEPGHRQA-LBPRGKRZSA-N 1 1 303.305 1.538 20 10 DDCDMO COCCCCN1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC001203683679 870711250 /nfs/dbraw/zinc/71/12/50/870711250.db2.gz APRBJLNEWAYGKI-UHFFFAOYSA-N 1 1 308.422 1.945 20 10 DDCDMO CC(C)c1ccc(O)c(C[N@@H+](C)CC(=O)N2CCOCC2)c1 ZINC001204617562 871180741 /nfs/dbraw/zinc/18/07/41/871180741.db2.gz BCPNTIONVSRRNW-UHFFFAOYSA-N 1 1 306.406 1.806 20 10 DDCDMO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1cc(F)c(F)cc1O ZINC001308636699 871517295 /nfs/dbraw/zinc/51/72/95/871517295.db2.gz DDVVOIKZVNMOBM-SNVBAGLBSA-N 1 1 305.346 1.727 20 10 DDCDMO COc1cc(C)c(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(O)c1 ZINC001308855506 871535046 /nfs/dbraw/zinc/53/50/46/871535046.db2.gz QOTKVJILPBDUHI-DOMZBBRYSA-N 1 1 304.390 1.810 20 10 DDCDMO Cc1cc(=O)oc2c1ccc(O)c2CN1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205868580 871876260 /nfs/dbraw/zinc/87/62/60/871876260.db2.gz LNHOUJSWESZTAG-YGRLFVJLSA-N 1 1 302.374 1.976 20 10 DDCDMO C[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2F)C[C@@H]1[NH3+] ZINC001205888808 871898192 /nfs/dbraw/zinc/89/81/92/871898192.db2.gz KWASMYRIMQCVSJ-KDOFPFPSSA-N 1 1 320.456 1.747 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1 ZINC001206152354 872091964 /nfs/dbraw/zinc/09/19/64/872091964.db2.gz YJOHVQIXXNDCLF-MULDZMIYSA-N 1 1 315.417 1.355 20 10 DDCDMO CCOc1ccc(N2CC[NH+](C[C@](C)(O)C(C)=O)CC2)cc1 ZINC001344124721 872860266 /nfs/dbraw/zinc/86/02/66/872860266.db2.gz NZJBDVAXTHEDEK-KRWDZBQOSA-N 1 1 306.406 1.547 20 10 DDCDMO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(O)cc3O)C[N@H+]2C1 ZINC001347043599 873989826 /nfs/dbraw/zinc/98/98/26/873989826.db2.gz LWEFEBSTKGMPSE-BNOWGMLFSA-N 1 1 304.390 1.834 20 10 DDCDMO C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1ccc(N3CCOCC3)cc1)C2 ZINC001276635299 874832690 /nfs/dbraw/zinc/83/26/90/874832690.db2.gz FEOVYRHPYNSSMQ-AEFFLSMTSA-N 1 1 301.434 1.659 20 10 DDCDMO CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001276635299 874832705 /nfs/dbraw/zinc/83/27/05/874832705.db2.gz FEOVYRHPYNSSMQ-AEFFLSMTSA-N 1 1 301.434 1.659 20 10 DDCDMO CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001276635299 874832711 /nfs/dbraw/zinc/83/27/11/874832711.db2.gz FEOVYRHPYNSSMQ-AEFFLSMTSA-N 1 1 301.434 1.659 20 10 DDCDMO COC1(CO)CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000402765572 876809961 /nfs/dbraw/zinc/80/99/61/876809961.db2.gz GMPQWPAQLVIXIW-UHFFFAOYSA-N 1 1 311.353 1.707 20 10 DDCDMO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001353146265 877148145 /nfs/dbraw/zinc/14/81/45/877148145.db2.gz MDYNDMWAOLLMQB-PBHICJAKSA-N 1 1 318.465 1.428 20 10 DDCDMO COc1ccc(C[N@@H+]2CCc3cc(C(N)=O)[nH]c3C2)c(O)c1 ZINC001277454121 884444146 /nfs/dbraw/zinc/44/41/46/884444146.db2.gz NVBIHKJMUCGUBG-UHFFFAOYSA-N 1 1 301.346 1.386 20 10 DDCDMO COc1ccc(C[N@H+]2CCc3cc(C(N)=O)[nH]c3C2)c(O)c1 ZINC001277454121 884444156 /nfs/dbraw/zinc/44/41/56/884444156.db2.gz NVBIHKJMUCGUBG-UHFFFAOYSA-N 1 1 301.346 1.386 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(N)=O)n3nccc3C2)c1 ZINC001277462725 884736282 /nfs/dbraw/zinc/73/62/82/884736282.db2.gz AELWHYKXVMEXDS-CQSZACIVSA-N 1 1 316.361 1.030 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C(N)=O)n3nccc3C2)c1 ZINC001277462725 884736286 /nfs/dbraw/zinc/73/62/86/884736286.db2.gz AELWHYKXVMEXDS-CQSZACIVSA-N 1 1 316.361 1.030 20 10 DDCDMO Cc1cccc(C[N@H+]2CCOC[C@](O)(C(F)(F)F)C2)c1O ZINC001231590667 885751116 /nfs/dbraw/zinc/75/11/16/885751116.db2.gz DNQCVOJYKMRSAL-ZDUSSCGKSA-N 1 1 305.296 1.826 20 10 DDCDMO CCOC[C@H]1C[N@H+](Cc2cccc(C)c2O)Cc2nnn(C)c21 ZINC001231591662 885753411 /nfs/dbraw/zinc/75/34/11/885753411.db2.gz HBNPKDZPKHEMEM-CQSZACIVSA-N 1 1 316.405 1.965 20 10 DDCDMO CCOC[C@H]1C[N@@H+](Cc2cccc(C)c2O)Cc2nnn(C)c21 ZINC001231591662 885753421 /nfs/dbraw/zinc/75/34/21/885753421.db2.gz HBNPKDZPKHEMEM-CQSZACIVSA-N 1 1 316.405 1.965 20 10 DDCDMO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001231853730 885907216 /nfs/dbraw/zinc/90/72/16/885907216.db2.gz PGYKHNOCFRTYAY-KRWDZBQOSA-N 1 1 319.449 1.668 20 10 DDCDMO C[N@H+](CC(=O)N1CCOCC1)Cc1cc(Cl)c(O)cc1O ZINC001232260447 886193647 /nfs/dbraw/zinc/19/36/47/886193647.db2.gz QMKRSCHFJKQLFY-UHFFFAOYSA-N 1 1 314.769 1.042 20 10 DDCDMO C[N@@H+](CC(=O)N1CCOCC1)Cc1cc(Cl)c(O)cc1O ZINC001232260447 886193653 /nfs/dbraw/zinc/19/36/53/886193653.db2.gz QMKRSCHFJKQLFY-UHFFFAOYSA-N 1 1 314.769 1.042 20 10 DDCDMO CN(C)c1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c(O)c1 ZINC001232838982 886627187 /nfs/dbraw/zinc/62/71/87/886627187.db2.gz LNROJAUKISZNFX-KRWDZBQOSA-N 1 1 319.449 1.755 20 10 DDCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](CO)[C@H](O)C3)c2c1 ZINC001234525178 888052098 /nfs/dbraw/zinc/05/20/98/888052098.db2.gz BVAYWNLRVBYSBN-SCLBCKFNSA-N 1 1 317.385 1.729 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CCN[C@H](C(=O)OC)C2)cc1 ZINC001235446979 888650773 /nfs/dbraw/zinc/65/07/73/888650773.db2.gz WBKHZSQAUGYOFJ-INIZCTEOSA-N 1 1 305.422 1.480 20 10 DDCDMO COc1cc(O)c(C[N@@H+](C)[C@@H]2CCCN(C(C)=O)C2)cc1OC ZINC001236751015 889329076 /nfs/dbraw/zinc/32/90/76/889329076.db2.gz BBJVAAJXHYMZCE-CQSZACIVSA-N 1 1 322.405 1.852 20 10 DDCDMO CCc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N(C)C)C[C@H]32)c(O)c1 ZINC001236785161 889354407 /nfs/dbraw/zinc/35/44/07/889354407.db2.gz GFNDVFYWRWOOCF-DJIMGWMZSA-N 1 1 318.417 1.775 20 10 DDCDMO COc1cc(C)c(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c(O)c1 ZINC001236808728 889368994 /nfs/dbraw/zinc/36/89/94/889368994.db2.gz RQMSAPCPCNEASQ-XGWLTEMNSA-N 1 1 307.390 1.681 20 10 DDCDMO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1ccc(C(C)C)cc1O ZINC001237055961 889486238 /nfs/dbraw/zinc/48/62/38/889486238.db2.gz SQRBXVJXLLORLP-OAHLLOKOSA-N 1 1 306.406 1.805 20 10 DDCDMO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1ccc(C(C)C)cc1O ZINC001237055961 889486244 /nfs/dbraw/zinc/48/62/44/889486244.db2.gz SQRBXVJXLLORLP-OAHLLOKOSA-N 1 1 306.406 1.805 20 10 DDCDMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237056702 889487037 /nfs/dbraw/zinc/48/70/37/889487037.db2.gz NWFDFVFRKKKBFS-SNVBAGLBSA-N 1 1 318.295 1.641 20 10 DDCDMO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H](O)C2)cc1Br ZINC001237677468 889798483 /nfs/dbraw/zinc/79/84/83/889798483.db2.gz NMHSUJAAJUHBCX-NSHDSACASA-N 1 1 316.195 1.656 20 10 DDCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@@H](O)C2)cc1Br ZINC001237677468 889798490 /nfs/dbraw/zinc/79/84/90/889798490.db2.gz NMHSUJAAJUHBCX-NSHDSACASA-N 1 1 316.195 1.656 20 10 DDCDMO C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)[O-] ZINC001261558495 899638766 /nfs/dbraw/zinc/63/87/66/899638766.db2.gz IJHOVZFLXAJUMF-GFCCVEGCSA-N 1 1 309.385 1.388 20 10 DDCDMO C[C@@H](O)C[N@H+]1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](C)C1 ZINC000284417817 131079092 /nfs/dbraw/zinc/07/90/92/131079092.db2.gz QZUZBYRHCFADHR-NWDGAFQWSA-N 1 1 308.378 1.008 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1)OCO2 ZINC000093612157 407199751 /nfs/dbraw/zinc/19/97/51/407199751.db2.gz JNYZEEGIZODMCW-GFCCVEGCSA-N 1 1 305.252 1.620 20 10 DDCDMO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1F ZINC000172799568 407852471 /nfs/dbraw/zinc/85/24/71/407852471.db2.gz GXYWYPLCXWCJBR-INIZCTEOSA-N 1 1 323.412 1.619 20 10 DDCDMO 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ZINC000769936792 701261362 /nfs/dbraw/zinc/26/13/62/701261362.db2.gz QEJVVOLBNHQBRE-UHFFFAOYSA-N 1 1 303.366 1.477 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]CCC[S@](C)=O)cc2)CC1 ZINC000771842992 701333988 /nfs/dbraw/zinc/33/39/88/701333988.db2.gz PBPRXJKLDSMAEF-NRFANRHFSA-N 1 1 309.479 1.297 20 10 DDCDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000839630755 701759727 /nfs/dbraw/zinc/75/97/27/701759727.db2.gz NJNIWRSVLYDJMO-MRXNPFEDSA-N 1 1 319.449 1.598 20 10 DDCDMO COC(=O)[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)CC[N@H+](C)C1 ZINC000839630755 701759731 /nfs/dbraw/zinc/75/97/31/701759731.db2.gz NJNIWRSVLYDJMO-MRXNPFEDSA-N 1 1 319.449 1.598 20 10 DDCDMO COC(=O)[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)CC[N@@H+](C)C1 ZINC000839630755 701759735 /nfs/dbraw/zinc/75/97/35/701759735.db2.gz NJNIWRSVLYDJMO-MRXNPFEDSA-N 1 1 319.449 1.598 20 10 DDCDMO Cc1cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)ccc1N(C)C ZINC000815075699 701793565 /nfs/dbraw/zinc/79/35/65/701793565.db2.gz JWTRUZXJDGACSS-QGZVFWFLSA-N 1 1 303.450 1.968 20 10 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/nfs/dbraw/zinc/02/58/88/703025888.db2.gz PKMUNDZEDHTDJF-CQSZACIVSA-N 1 1 307.438 1.978 20 10 DDCDMO Cc1cc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)ccc1N1CCCCC1 ZINC000879609479 706736180 /nfs/dbraw/zinc/73/61/80/706736180.db2.gz XIOPIWJVNUWPJD-MSOLQXFVSA-N 1 1 304.434 1.913 20 10 DDCDMO Cc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)nn1C ZINC000850406424 703729873 /nfs/dbraw/zinc/72/98/73/703729873.db2.gz GMLCFKDBQXARQG-UHFFFAOYSA-N 1 1 314.433 1.979 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](n3ccnn3)C1)OCO2 ZINC000819894857 704182076 /nfs/dbraw/zinc/18/20/76/704182076.db2.gz CKPSOHWRRBIBPJ-GFCCVEGCSA-N 1 1 302.334 1.550 20 10 DDCDMO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000854571680 704419989 /nfs/dbraw/zinc/41/99/89/704419989.db2.gz XILPFDSWBUMSOO-NSHDSACASA-N 1 1 310.419 1.779 20 10 DDCDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000854571680 704419990 /nfs/dbraw/zinc/41/99/90/704419990.db2.gz XILPFDSWBUMSOO-NSHDSACASA-N 1 1 310.419 1.779 20 10 DDCDMO C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)[C@H]1C[N@H+](C)CCO1 ZINC000875401217 705375996 /nfs/dbraw/zinc/37/59/96/705375996.db2.gz WUYFHFZUHKBSLZ-IAQYHMDHSA-N 1 1 305.378 1.137 20 10 DDCDMO C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000875401217 705376002 /nfs/dbraw/zinc/37/60/02/705376002.db2.gz WUYFHFZUHKBSLZ-IAQYHMDHSA-N 1 1 305.378 1.137 20 10 DDCDMO COCCCNC(=O)C[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000824541835 705476306 /nfs/dbraw/zinc/47/63/06/705476306.db2.gz JZLBWZIHBUGQJV-UHFFFAOYSA-N 1 1 314.813 1.939 20 10 DDCDMO COCCCNC(=O)C[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000824541835 705476311 /nfs/dbraw/zinc/47/63/11/705476311.db2.gz JZLBWZIHBUGQJV-UHFFFAOYSA-N 1 1 314.813 1.939 20 10 DDCDMO NC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862210556 705678634 /nfs/dbraw/zinc/67/86/34/705678634.db2.gz OZDFAQWYUUDMEP-VIFPVBQESA-N 1 1 313.195 1.852 20 10 DDCDMO COc1c(O)c(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)ccc1[N+](=O)[O-] ZINC000862428396 705716509 /nfs/dbraw/zinc/71/65/09/705716509.db2.gz PGBBOIYEGAVOEL-NSHDSACASA-N 1 1 323.349 1.362 20 10 DDCDMO COc1c(O)c(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)ccc1[N+](=O)[O-] ZINC000862428396 705716510 /nfs/dbraw/zinc/71/65/10/705716510.db2.gz PGBBOIYEGAVOEL-NSHDSACASA-N 1 1 323.349 1.362 20 10 DDCDMO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](C(=O)OC)C2)c1 ZINC000862487540 705722245 /nfs/dbraw/zinc/72/22/45/705722245.db2.gz RLJFCACDWQXMEI-ABAIWWIYSA-N 1 1 309.362 1.553 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@H](C(=O)OC)C2)c1 ZINC000862487540 705722250 /nfs/dbraw/zinc/72/22/50/705722250.db2.gz RLJFCACDWQXMEI-ABAIWWIYSA-N 1 1 309.362 1.553 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](N3CCOC3=O)C2)c1 ZINC000826994470 705908686 /nfs/dbraw/zinc/90/86/86/705908686.db2.gz IELFSUXLHSQJBB-ZDUSSCGKSA-N 1 1 306.362 1.817 20 10 DDCDMO CCOc1cccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c1O ZINC000827120214 705933276 /nfs/dbraw/zinc/93/32/76/705933276.db2.gz QKOJXIKGSSGJCP-HNNXBMFYSA-N 1 1 306.406 1.697 20 10 DDCDMO COc1c(O)c(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000827692266 706050935 /nfs/dbraw/zinc/05/09/35/706050935.db2.gz HCBAZNSYNGGUEW-ZUZCIYMTSA-N 1 1 310.350 1.759 20 10 DDCDMO COc1c(O)c(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000827692266 706050939 /nfs/dbraw/zinc/05/09/39/706050939.db2.gz HCBAZNSYNGGUEW-ZUZCIYMTSA-N 1 1 310.350 1.759 20 10 DDCDMO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000827812285 706070739 /nfs/dbraw/zinc/07/07/39/706070739.db2.gz IIBLGEHVDSQARU-MGCOHNPYSA-N 1 1 310.306 1.350 20 10 DDCDMO C[C@H](O)[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877593230 706152562 /nfs/dbraw/zinc/15/25/62/706152562.db2.gz QOWNIXVLBZCRNQ-KSSFIOAISA-N 1 1 320.433 1.229 20 10 DDCDMO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877593230 706152565 /nfs/dbraw/zinc/15/25/65/706152565.db2.gz QOWNIXVLBZCRNQ-KSSFIOAISA-N 1 1 320.433 1.229 20 10 DDCDMO COc1cc(O)c(C[N@@H+](C)[C@@H]2CN3CCC2CC3)cc1OC ZINC000877707136 706184009 /nfs/dbraw/zinc/18/40/09/706184009.db2.gz XTQBANJLQFXBNK-CQSZACIVSA-N 1 1 306.406 1.935 20 10 DDCDMO COc1cc(O)c(CN(C)[C@@H]2C[NH+]3CCC2CC3)cc1OC ZINC000877707136 706184010 /nfs/dbraw/zinc/18/40/10/706184010.db2.gz XTQBANJLQFXBNK-CQSZACIVSA-N 1 1 306.406 1.935 20 10 DDCDMO Oc1ccc(Br)cc1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749572 706198489 /nfs/dbraw/zinc/19/84/89/706198489.db2.gz XSQABVWDXMBILC-NEPJUHHUSA-N 1 1 302.168 1.082 20 10 DDCDMO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749572 706198492 /nfs/dbraw/zinc/19/84/92/706198492.db2.gz XSQABVWDXMBILC-NEPJUHHUSA-N 1 1 302.168 1.082 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](CCCO)C2)cc1 ZINC000832783013 706982748 /nfs/dbraw/zinc/98/27/48/706982748.db2.gz MRZQKYLQVGFHPV-INIZCTEOSA-N 1 1 319.449 1.463 20 10 DDCDMO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3O)[C@H](C)C2)[nH]n1 ZINC000835072505 707167168 /nfs/dbraw/zinc/16/71/68/707167168.db2.gz BOZFWDPXZBDIGY-CYBMUJFWSA-N 1 1 314.389 1.770 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000872321003 707382248 /nfs/dbraw/zinc/38/22/48/707382248.db2.gz PCDGUAIRLHCZAQ-IYBDPMFKSA-N 1 1 317.433 1.289 20 10 DDCDMO CC(C)(C[NH2+]Cc1cc(F)cc(F)c1O)N1CCOCC1 ZINC000882879770 707834195 /nfs/dbraw/zinc/83/41/95/707834195.db2.gz LVAKZFFPHHLZAL-UHFFFAOYSA-N 1 1 300.349 1.871 20 10 DDCDMO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883113468 707930070 /nfs/dbraw/zinc/93/00/70/707930070.db2.gz UFNDPQANWWUSRC-YPMHNXCESA-N 1 1 303.349 1.918 20 10 DDCDMO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883113467 707930196 /nfs/dbraw/zinc/93/01/96/707930196.db2.gz UFNDPQANWWUSRC-WCQYABFASA-N 1 1 303.349 1.918 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]Cc3ccc(=O)[nH]c3)cc2)CC1 ZINC000883283320 707964704 /nfs/dbraw/zinc/96/47/04/707964704.db2.gz AOSUCNWNELOIIE-UHFFFAOYSA-N 1 1 312.417 1.829 20 10 DDCDMO Cc1ccc([C@H](C)[NH2+]Cc2nnc3c(=O)n(C)ccn23)c(O)c1 ZINC000883335473 707978204 /nfs/dbraw/zinc/97/82/04/707978204.db2.gz UBXUWMSCUFNHIE-NSHDSACASA-N 1 1 313.361 1.293 20 10 DDCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC000839167271 708032621 /nfs/dbraw/zinc/03/26/21/708032621.db2.gz WIPRTENDTXRAJE-ZYHUDNBSSA-N 1 1 316.195 1.248 20 10 DDCDMO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1c(O)cccc1F ZINC000886631045 708799027 /nfs/dbraw/zinc/79/90/27/708799027.db2.gz BGTXATKHFXZYMY-NXEZZACHSA-N 1 1 302.371 1.216 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)cc1 ZINC000900028052 709271280 /nfs/dbraw/zinc/27/12/80/709271280.db2.gz YQUJEDDADHAYCO-WBVHZDCISA-N 1 1 305.422 1.166 20 10 DDCDMO CC(C)(CC[NH+]1CCOCC1)NC(=O)c1cccc(O)c1O ZINC000912951064 713133129 /nfs/dbraw/zinc/13/31/29/713133129.db2.gz DWCKZIBMXVMEHF-UHFFFAOYSA-N 1 1 308.378 1.329 20 10 DDCDMO C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)N(C)C ZINC000891246066 710140047 /nfs/dbraw/zinc/14/00/47/710140047.db2.gz LUZPHQGUCCYOMY-BBRMVZONSA-N 1 1 306.454 1.422 20 10 DDCDMO COc1ccc(C[N@H+]2CCSC[C@H]2CCO)c(O)c1OC ZINC000892221986 710397944 /nfs/dbraw/zinc/39/79/44/710397944.db2.gz LDCQXLZWQCUEIL-GFCCVEGCSA-N 1 1 313.419 1.709 20 10 DDCDMO CC[C@H](CO)N1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000894062545 710947781 /nfs/dbraw/zinc/94/77/81/710947781.db2.gz ALURHYMPKTWRDE-OAHLLOKOSA-N 1 1 308.422 1.598 20 10 DDCDMO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894747402 711257228 /nfs/dbraw/zinc/25/72/28/711257228.db2.gz KTPNDFGZIUAVAK-FZMZJTMJSA-N 1 1 312.360 1.965 20 10 DDCDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894747402 711257231 /nfs/dbraw/zinc/25/72/31/711257231.db2.gz KTPNDFGZIUAVAK-FZMZJTMJSA-N 1 1 312.360 1.965 20 10 DDCDMO NC[C@]12CC[C@@H]1CC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903864793 711308503 /nfs/dbraw/zinc/30/85/03/711308503.db2.gz XAVMOFMCBPNHOJ-SJLPKXTDSA-N 1 1 301.434 1.836 20 10 DDCDMO NC[C@]12CC[C@@H]1CC[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000903864793 711308507 /nfs/dbraw/zinc/30/85/07/711308507.db2.gz XAVMOFMCBPNHOJ-SJLPKXTDSA-N 1 1 301.434 1.836 20 10 DDCDMO CC[N@H+]1CCC[C@H]1CNC(=S)NCc1c(O)cccc1F ZINC000905662478 712110380 /nfs/dbraw/zinc/11/03/80/712110380.db2.gz WCZWVMGQFXPZEU-NSHDSACASA-N 1 1 311.426 1.980 20 10 DDCDMO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000919081992 713580871 /nfs/dbraw/zinc/58/08/71/713580871.db2.gz QDRDQFBSFRGWPD-BBRMVZONSA-N 1 1 304.438 1.953 20 10 DDCDMO C[C@@H](NC(=O)NCc1c(O)cccc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000921557031 713807374 /nfs/dbraw/zinc/80/73/74/713807374.db2.gz SQSZJOJLEFXKIM-QMTHXVAHSA-N 1 1 311.357 1.050 20 10 DDCDMO COc1cc(C)c(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c(O)c1 ZINC001182764237 743710909 /nfs/dbraw/zinc/71/09/09/743710909.db2.gz LMMGOTONTJIOQS-GFCCVEGCSA-N 1 1 306.362 1.736 20 10 DDCDMO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144515753 772558714 /nfs/dbraw/zinc/55/87/14/772558714.db2.gz XPOKGXFKGWLHDO-AXFHLTTASA-N 1 1 307.346 1.577 20 10 DDCDMO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001118484307 781136396 /nfs/dbraw/zinc/13/63/96/781136396.db2.gz FOXHNBJQHDNMKT-HOTGVXAUSA-N 1 1 324.446 1.188 20 10 DDCDMO O=C1N(C2COC2)CC[C@]12CCC[N@@H+]2Cc1ccccc1O ZINC001272618651 846415999 /nfs/dbraw/zinc/41/59/99/846415999.db2.gz LGGACVFGEOMJGQ-QGZVFWFLSA-N 1 1 302.374 1.358 20 10 DDCDMO COc1cccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(C)C3)C2)c1O ZINC001272626477 846425110 /nfs/dbraw/zinc/42/51/10/846425110.db2.gz YKGNAWIYSBTYOL-QGZVFWFLSA-N 1 1 320.389 1.082 20 10 DDCDMO CN(C)c1ccc([C@@H](O)C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)C3)cc1 ZINC001272781934 847421230 /nfs/dbraw/zinc/42/12/30/847421230.db2.gz JAJLAPKEJGGVHN-OWCLPIDISA-N 1 1 303.406 1.091 20 10 DDCDMO CN(C)c1ccc([C@@H](O)C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)C3)cc1 ZINC001272781934 847421240 /nfs/dbraw/zinc/42/12/40/847421240.db2.gz JAJLAPKEJGGVHN-OWCLPIDISA-N 1 1 303.406 1.091 20 10 DDCDMO COc1cc(C[N@H+]2CCC[C@@]23CCN(C)C3=O)c(O)c(OC)c1 ZINC001274393736 852228376 /nfs/dbraw/zinc/22/83/76/852228376.db2.gz DESBSHYEPLJZIN-KRWDZBQOSA-N 1 1 320.389 1.606 20 10 DDCDMO 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/nfs/dbraw/zinc/73/31/72/418733172.db2.gz FHXDQWUMRSYZJV-CYBMUJFWSA-N 1 1 303.362 1.087 20 10 DDCDMO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000368592612 418722874 /nfs/dbraw/zinc/72/28/74/418722874.db2.gz LWPIRJSIKKXWGE-AWEZNQCLSA-N 1 1 303.406 1.234 20 10 DDCDMO Cc1cccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1O ZINC000378440881 418723106 /nfs/dbraw/zinc/72/31/06/418723106.db2.gz FEYDULPGQLNFOF-CQSZACIVSA-N 1 1 312.435 1.603 20 10 DDCDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cccc(OC)c1O ZINC000372280777 418850906 /nfs/dbraw/zinc/85/09/06/418850906.db2.gz GBUBKXGEFIRWNV-KBPBESRZSA-N 1 1 323.389 1.943 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)cc1 ZINC000372289810 418851767 /nfs/dbraw/zinc/85/17/67/418851767.db2.gz RUTOZZALQJLLEW-INIZCTEOSA-N 1 1 317.433 1.168 20 10 DDCDMO CCN(CC)c1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000081265927 696542365 /nfs/dbraw/zinc/54/23/65/696542365.db2.gz SUEFBBNRVCZWFY-MRXNPFEDSA-N 1 1 305.422 1.480 20 10 DDCDMO CCN(CC)c1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000081265927 696542367 /nfs/dbraw/zinc/54/23/67/696542367.db2.gz SUEFBBNRVCZWFY-MRXNPFEDSA-N 1 1 305.422 1.480 20 10 DDCDMO COc1cccc(C[N@@H+](CCO)CCOCC(F)(F)F)c1O ZINC000093320061 696600223 /nfs/dbraw/zinc/60/02/23/696600223.db2.gz DHSOQXMYYJCFEK-UHFFFAOYSA-N 1 1 323.311 1.774 20 10 DDCDMO COc1cccc(C[N@H+](CC(N)=O)Cc2ccccc2)c1O ZINC000093358584 696600676 /nfs/dbraw/zinc/60/06/76/696600676.db2.gz CNPVDPMPRWPBOD-UHFFFAOYSA-N 1 1 300.358 1.888 20 10 DDCDMO COc1cccc(C[N@@H+](CC(N)=O)Cc2ccccc2)c1O ZINC000093358584 696600678 /nfs/dbraw/zinc/60/06/78/696600678.db2.gz CNPVDPMPRWPBOD-UHFFFAOYSA-N 1 1 300.358 1.888 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000154042104 696925712 /nfs/dbraw/zinc/92/57/12/696925712.db2.gz WKQJGXPYHPCKMP-CQSZACIVSA-N 1 1 311.451 1.266 20 10 DDCDMO CN(C)c1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2C)cc1F ZINC000171191508 697355399 /nfs/dbraw/zinc/35/53/99/697355399.db2.gz GNXJKNWDXAXPJL-CYBMUJFWSA-N 1 1 308.401 1.785 20 10 DDCDMO C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000185872212 697526182 /nfs/dbraw/zinc/52/61/82/697526182.db2.gz GACVJQDNBMNTPX-ZDUSSCGKSA-N 1 1 321.421 1.237 20 10 DDCDMO CCNC(=O)CN1CC[NH+](Cc2ccc(N(C)CC)cc2)CC1 ZINC000773733250 697798500 /nfs/dbraw/zinc/79/85/00/697798500.db2.gz IRRVHMUXAMVUOQ-UHFFFAOYSA-N 1 1 318.465 1.396 20 10 DDCDMO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1O ZINC000249596378 698395236 /nfs/dbraw/zinc/39/52/36/698395236.db2.gz WYMDAKJIQVITSO-CZUORRHYSA-N 1 1 305.422 1.072 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCCOC3)[C@H](O)CO2 ZINC000789543857 699394048 /nfs/dbraw/zinc/39/40/48/699394048.db2.gz CNNKMLHPOXRODV-WBVHZDCISA-N 1 1 305.374 1.821 20 10 DDCDMO O=C(C[N@H+](Cc1ccccc1O)C1CCCC1)N1CCOCC1 ZINC000731845883 699537667 /nfs/dbraw/zinc/53/76/67/699537667.db2.gz LIPNZRXCENYCOZ-UHFFFAOYSA-N 1 1 318.417 1.996 20 10 DDCDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000732457899 699560389 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/nfs/dbraw/zinc/17/79/77/701177977.db2.gz SUEKDQPUJVTDKN-CZUORRHYSA-N 1 1 304.390 1.487 20 10 DDCDMO CN(Cc1cc2c(cc1O)OC[C@H]2O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000768448611 701177978 /nfs/dbraw/zinc/17/79/78/701177978.db2.gz SUEKDQPUJVTDKN-CZUORRHYSA-N 1 1 304.390 1.487 20 10 DDCDMO C[N@@H+]1CCC[C@@H]2CN(Cc3cc4c(cc3O)OC[C@H]4O)CC[C@H]21 ZINC000768463652 701179573 /nfs/dbraw/zinc/17/95/73/701179573.db2.gz VLDKFMNDIAHZRZ-SRCQZFHVSA-N 1 1 318.417 1.734 20 10 DDCDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc4c(cc3O)OC[C@H]4O)CC[C@H]21 ZINC000768463652 701179574 /nfs/dbraw/zinc/17/95/74/701179574.db2.gz VLDKFMNDIAHZRZ-SRCQZFHVSA-N 1 1 318.417 1.734 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]C[C@]3(O)CCSC3)cc2)CC1 ZINC000771842825 701333959 /nfs/dbraw/zinc/33/39/59/701333959.db2.gz MKDYISAADINDOQ-QGZVFWFLSA-N 1 1 321.490 1.396 20 10 DDCDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839537355 701729986 /nfs/dbraw/zinc/72/99/86/701729986.db2.gz VAFMJNQJBYKODD-GJZGRUSLSA-N 1 1 318.465 1.393 20 10 DDCDMO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H](C)[N@@H+]1C ZINC000814928823 701772859 /nfs/dbraw/zinc/77/28/59/701772859.db2.gz MAHHCNNICOVWSW-AOOOYVTPSA-N 1 1 320.349 1.455 20 10 DDCDMO COC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[N@@H+](C)C1 ZINC000840956883 702293974 /nfs/dbraw/zinc/29/39/74/702293974.db2.gz GGDYYQZZCRZWHX-LBPRGKRZSA-N 1 1 312.797 1.582 20 10 DDCDMO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000840956883 702293976 /nfs/dbraw/zinc/29/39/76/702293976.db2.gz GGDYYQZZCRZWHX-LBPRGKRZSA-N 1 1 312.797 1.582 20 10 DDCDMO COC(=O)[C@H]1CN(C)CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000840956883 702293980 /nfs/dbraw/zinc/29/39/80/702293980.db2.gz GGDYYQZZCRZWHX-LBPRGKRZSA-N 1 1 312.797 1.582 20 10 DDCDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000840976345 702299331 /nfs/dbraw/zinc/29/93/31/702299331.db2.gz DOJXVTTUMDFRPA-NSHDSACASA-N 1 1 311.403 1.739 20 10 DDCDMO COc1cccc(O)c1C[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000814178304 702491433 /nfs/dbraw/zinc/49/14/33/702491433.db2.gz LATQIYGBXCKFQC-UHFFFAOYSA-N 1 1 313.419 1.657 20 10 DDCDMO C[C@@H](NC(=O)NCCc1ccc(N)cc1)C1=CC[N@@H+](C)CC1 ZINC000841873495 702600799 /nfs/dbraw/zinc/60/07/99/702600799.db2.gz ZBGFKQSMDZZRLV-CYBMUJFWSA-N 1 1 302.422 1.761 20 10 DDCDMO CCOc1cccc(C[N@H+]2C[C@@H](C)N(CCO)C[C@@H]2C)c1O ZINC000841892495 702608308 /nfs/dbraw/zinc/60/83/08/702608308.db2.gz ZSHUWLNGZCXGJN-KGLIPLIRSA-N 1 1 308.422 1.678 20 10 DDCDMO CCOc1cccc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c1O ZINC000841892495 702608310 /nfs/dbraw/zinc/60/83/10/702608310.db2.gz ZSHUWLNGZCXGJN-KGLIPLIRSA-N 1 1 308.422 1.678 20 10 DDCDMO CCOc1cccc(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1O ZINC000841892495 702608313 /nfs/dbraw/zinc/60/83/13/702608313.db2.gz ZSHUWLNGZCXGJN-KGLIPLIRSA-N 1 1 308.422 1.678 20 10 DDCDMO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000842227197 702684909 /nfs/dbraw/zinc/68/49/09/702684909.db2.gz SBZYPJSWLCCRQT-ZWKOTPCHSA-N 1 1 321.465 1.050 20 10 DDCDMO C[C@@H]([NH3+])[C@@H]1CN(Cc2cccc(Br)c2O)CCO1 ZINC000843058511 702810105 /nfs/dbraw/zinc/81/01/05/702810105.db2.gz UWRZVZCGAVRSEL-SKDRFNHKSA-N 1 1 315.211 1.703 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@H](O)C(F)F)c1 ZINC000866442327 706700701 /nfs/dbraw/zinc/70/07/01/706700701.db2.gz JQVHCBGIIZLRKT-UFBFGSQYSA-N 1 1 303.305 1.846 20 10 DDCDMO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CSC[NH2+]3)C2)cc1 ZINC000843506644 702896928 /nfs/dbraw/zinc/89/69/28/702896928.db2.gz NAVRZPCGIZORBF-IUODEOHRSA-N 1 1 321.446 1.300 20 10 DDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H]3C[C@@H]3C1)cc2=O ZINC000852634034 704088466 /nfs/dbraw/zinc/08/84/66/704088466.db2.gz FKWNEOUXLWBXSR-GHMZBOCLSA-N 1 1 316.361 1.453 20 10 DDCDMO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000819582359 704145193 /nfs/dbraw/zinc/14/51/93/704145193.db2.gz KTMPTGFYAOQQFC-RHSMWYFYSA-N 1 1 317.433 1.732 20 10 DDCDMO Cc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)c(O)c1O ZINC000854643453 704432350 /nfs/dbraw/zinc/43/23/50/704432350.db2.gz YGQITTVNTIETBD-KBPBESRZSA-N 1 1 320.389 1.341 20 10 DDCDMO COc1ccc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)cc1 ZINC000855225723 704474022 /nfs/dbraw/zinc/47/40/22/704474022.db2.gz PWDMJPNCEPFWJQ-CQSZACIVSA-N 1 1 314.389 1.595 20 10 DDCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1CO ZINC000857062128 704549300 /nfs/dbraw/zinc/54/93/00/704549300.db2.gz YIHYJSDFRYGOLW-RDJZCZTQSA-N 1 1 304.434 1.974 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)N(C)OC)c1 ZINC000858580515 704729853 /nfs/dbraw/zinc/72/98/53/704729853.db2.gz QJVKUENPCMJBPT-UWVGGRQHSA-N 1 1 310.350 1.238 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]CCC3(CO)CC3)cc2)CC1 ZINC000825039950 705584926 /nfs/dbraw/zinc/58/49/26/705584926.db2.gz CQMQRGZEJCCFEI-UHFFFAOYSA-N 1 1 303.450 1.691 20 10 DDCDMO COC(=O)COc1ccc(N(C)Cc2c[nH+]c(C)n2C)cc1 ZINC000825497473 705681832 /nfs/dbraw/zinc/68/18/32/705681832.db2.gz JMXCWXHVRHYTRA-UHFFFAOYSA-N 1 1 303.362 1.917 20 10 DDCDMO C[N@@H+](CCOCCO)Cc1c(O)cccc1Br ZINC000862357433 705699946 /nfs/dbraw/zinc/69/99/46/705699946.db2.gz 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WSXBIRMXWQGHMF-UHFFFAOYSA-N 1 1 308.378 1.217 20 10 DDCDMO C[C@H](CO)[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](C)O ZINC000249107624 698387412 /nfs/dbraw/zinc/38/74/12/698387412.db2.gz QVEIPZFKFLHFAJ-CABCVRRESA-N 1 1 308.422 1.087 20 10 DDCDMO CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000779516723 698429597 /nfs/dbraw/zinc/42/95/97/698429597.db2.gz HAWSGNJBMQMEHK-RRFAQUSLSA-N 1 1 302.374 1.806 20 10 DDCDMO CN1CCN(C(C)(C)C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000390031774 699091528 /nfs/dbraw/zinc/09/15/28/699091528.db2.gz ZAGCARUGAKZUEH-HNNXBMFYSA-N 1 1 303.450 1.995 20 10 DDCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1CO ZINC000785983678 699115324 /nfs/dbraw/zinc/11/53/24/699115324.db2.gz BISNVFVQGSUOGM-DYVFJYSZSA-N 1 1 308.397 1.865 20 10 DDCDMO COCC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCOC1 ZINC000787334904 699206857 /nfs/dbraw/zinc/20/68/57/699206857.db2.gz NCUPDLRCBDKSSN-SFHVURJKSA-N 1 1 320.433 1.761 20 10 DDCDMO C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000702627329 699231469 /nfs/dbraw/zinc/23/14/69/699231469.db2.gz YFBNRVBCXPYDHB-ZDUSSCGKSA-N 1 1 315.211 1.311 20 10 DDCDMO COC[C@@H](CO)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000793326090 699750660 /nfs/dbraw/zinc/75/06/60/699750660.db2.gz ZTUTVISZAWZFFZ-SNVBAGLBSA-N 1 1 304.184 1.560 20 10 DDCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H](C2CC2)O1 ZINC000794653004 699821689 /nfs/dbraw/zinc/82/16/89/699821689.db2.gz KOZUJYMVTZWODS-TYFHEEPYSA-N 1 1 305.374 1.817 20 10 DDCDMO COCC[N@H+](CCN(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000809741379 701684565 /nfs/dbraw/zinc/68/45/65/701684565.db2.gz SQTMXUFYKOPISP-UHFFFAOYSA-N 1 1 321.465 1.533 20 10 DDCDMO COCC[N@@H+](CCN(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000809741379 701684566 /nfs/dbraw/zinc/68/45/66/701684566.db2.gz SQTMXUFYKOPISP-UHFFFAOYSA-N 1 1 321.465 1.533 20 10 DDCDMO CCOc1ccc(C[NH+]2CCN(C(=O)N(C)C)CC2)c(O)c1 ZINC000768301113 701167588 /nfs/dbraw/zinc/16/75/88/701167588.db2.gz XNCZTDSOUMVMSC-UHFFFAOYSA-N 1 1 307.394 1.590 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](C3OCCO3)C1)[C@H](O)CO2 ZINC000768445321 701177649 /nfs/dbraw/zinc/17/76/49/701177649.db2.gz HIOKIMZEHXUDTG-IAQYHMDHSA-N 1 1 321.373 1.403 20 10 DDCDMO CN1CC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000769462596 701245665 /nfs/dbraw/zinc/24/56/65/701245665.db2.gz IKDQFSCYSCFEPB-MRXNPFEDSA-N 1 1 321.396 1.325 20 10 DDCDMO CN1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000769462596 701245667 /nfs/dbraw/zinc/24/56/67/701245667.db2.gz IKDQFSCYSCFEPB-MRXNPFEDSA-N 1 1 321.396 1.325 20 10 DDCDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000808216815 701508394 /nfs/dbraw/zinc/50/83/94/701508394.db2.gz KQEAEMMXLADWKN-CYBMUJFWSA-N 1 1 320.389 1.859 20 10 DDCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1CN(C)CCO1 ZINC000816557559 702112570 /nfs/dbraw/zinc/11/25/70/702112570.db2.gz UXTVEQZXTUZGKP-YMTOWFKASA-N 1 1 302.777 1.993 20 10 DDCDMO Cc1[nH+]ccn1CCCNC(=O)NCCc1ccc(N)cc1 ZINC000841716015 702548154 /nfs/dbraw/zinc/54/81/54/702548154.db2.gz KZZKPJQCNAXYNV-UHFFFAOYSA-N 1 1 301.394 1.706 20 10 DDCDMO CCOc1cccc(C[N@H+]2C[C@@H](C)N(CCO)C[C@H]2C)c1O ZINC000841892497 702608290 /nfs/dbraw/zinc/60/82/90/702608290.db2.gz ZSHUWLNGZCXGJN-ZIAGYGMSSA-N 1 1 308.422 1.678 20 10 DDCDMO CCOc1cccc(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c1O ZINC000841892497 702608292 /nfs/dbraw/zinc/60/82/92/702608292.db2.gz ZSHUWLNGZCXGJN-ZIAGYGMSSA-N 1 1 308.422 1.678 20 10 DDCDMO CCOc1cccc(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1O ZINC000841892497 702608295 /nfs/dbraw/zinc/60/82/95/702608295.db2.gz ZSHUWLNGZCXGJN-ZIAGYGMSSA-N 1 1 308.422 1.678 20 10 DDCDMO C[N@H+]1CCC[C@@H](CCNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841916353 702617336 /nfs/dbraw/zinc/61/73/36/702617336.db2.gz VRHADSNILFEXTQ-HNNXBMFYSA-N 1 1 304.438 1.842 20 10 DDCDMO COCCCC[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000842172444 702679474 /nfs/dbraw/zinc/67/94/74/702679474.db2.gz YWXXKLSRBVMFNK-UHFFFAOYSA-N 1 1 307.438 1.727 20 10 DDCDMO [NH3+]C[C@@H]1CN(Cc2cccc(Br)c2O)CCO1 ZINC000843071114 702813348 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COCC(C)(C)[NH+]1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000819635360 704153892 /nfs/dbraw/zinc/15/38/92/704153892.db2.gz GASSLUYRWNQXIA-UHFFFAOYSA-N 1 1 322.405 1.589 20 10 DDCDMO CNS(=O)(=O)CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000856726247 704535485 /nfs/dbraw/zinc/53/54/85/704535485.db2.gz ZOURKXWKJVBRHQ-UHFFFAOYSA-N 1 1 312.435 1.686 20 10 DDCDMO C[C@@H]1[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCS1(=O)=O ZINC000858281064 704689018 /nfs/dbraw/zinc/68/90/18/704689018.db2.gz KNMDXVUAYHMRQI-NOZJJQNGSA-N 1 1 318.389 1.696 20 10 DDCDMO CCN(CC)c1ccc(CNc2nc(N)nc(N)[nH+]2)cc1F ZINC000858404219 704706384 /nfs/dbraw/zinc/70/63/84/704706384.db2.gz OZUKOJORVGFUKE-UHFFFAOYSA-N 1 1 305.361 1.633 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1)OCO2 ZINC000824653478 705500015 /nfs/dbraw/zinc/50/00/15/705500015.db2.gz BSCXMPSHNNEIHR-BNOWGMLFSA-N 1 1 321.373 1.483 20 10 DDCDMO COC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000825158372 705611439 /nfs/dbraw/zinc/61/14/39/705611439.db2.gz JOXFMWNUNHMAIV-HNNXBMFYSA-N 1 1 315.797 1.885 20 10 DDCDMO [O-]c1c(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)ccc(F)c1F ZINC000877042558 705969678 /nfs/dbraw/zinc/96/96/78/705969678.db2.gz YDZPFOSIVLVBLI-ZDUSSCGKSA-N 1 1 314.376 1.997 20 10 DDCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000827596517 706034479 /nfs/dbraw/zinc/03/44/79/706034479.db2.gz YTEPEFNATNURSD-IAGOWNOFSA-N 1 1 302.418 1.992 20 10 DDCDMO Cn1nnnc1CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000878241351 706335728 /nfs/dbraw/zinc/33/57/28/706335728.db2.gz SSIHUJWQNSDXAG-CQSZACIVSA-N 1 1 317.393 1.139 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]CC[C@@H](O)C(F)F)cc2)CC1 ZINC000865687677 706497169 /nfs/dbraw/zinc/49/71/69/706497169.db2.gz KHPMRJDTNFVKCG-OAHLLOKOSA-N 1 1 313.392 1.544 20 10 DDCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000835048720 707162212 /nfs/dbraw/zinc/16/22/12/707162212.db2.gz XXXOILRPBXIHKK-DDKKJVIOSA-N 1 1 301.434 1.782 20 10 DDCDMO C[N@H+]1CCC[C@H](CCNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000838142869 707853550 /nfs/dbraw/zinc/85/35/50/707853550.db2.gz AZAABJVESYLOAQ-BRLPQQTGSA-N 1 1 304.390 1.959 20 10 DDCDMO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883075075 707919332 /nfs/dbraw/zinc/91/93/32/707919332.db2.gz QUGSNPFSQRJKPY-VIFPVBQESA-N 1 1 320.361 1.042 20 10 DDCDMO C[C@@H]([NH2+]Cc1c(O)cccc1F)C1CCS(=O)(=O)CC1 ZINC000896639911 708105228 /nfs/dbraw/zinc/10/52/28/708105228.db2.gz ZFSMQKGOSZYBRE-SNVBAGLBSA-N 1 1 301.383 1.834 20 10 DDCDMO OC1CCN(c2ccc(C[N@@H+]3CC[C@H](O)[C@@H](F)C3)cc2)CC1 ZINC000898188756 708568982 /nfs/dbraw/zinc/56/89/82/708568982.db2.gz OTEDANPSSCVYQK-IRXDYDNUSA-N 1 1 308.397 1.552 20 10 DDCDMO OC1CCN(c2ccc(C[N@H+]3CC[C@H](O)[C@@H](F)C3)cc2)CC1 ZINC000898188756 708568984 /nfs/dbraw/zinc/56/89/84/708568984.db2.gz OTEDANPSSCVYQK-IRXDYDNUSA-N 1 1 308.397 1.552 20 10 DDCDMO CCn1cc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000898447242 708642771 /nfs/dbraw/zinc/64/27/71/708642771.db2.gz HZQJHZHLVWNEJY-QGZVFWFLSA-N 1 1 316.453 1.757 20 10 DDCDMO 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KPBDORCMHZMNTH-UHFFFAOYSA-N 1 1 318.377 1.986 20 10 DDCDMO COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273297520 408143595 /nfs/dbraw/zinc/14/35/95/408143595.db2.gz ALZTVDCAJPDARN-ZDUSSCGKSA-N 1 1 324.421 1.798 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273463420 408212031 /nfs/dbraw/zinc/21/20/31/408212031.db2.gz IOMAJSGKDUIXTF-AAEUAGOBSA-N 1 1 320.389 1.839 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H](C)Cn2cccn2)ccc1[N+](=O)[O-] ZINC000278631884 409085340 /nfs/dbraw/zinc/08/53/40/409085340.db2.gz GYTJCOABVODQQC-JTQLQIEISA-N 1 1 306.322 1.684 20 10 DDCDMO C[C@@]1(C[C@H]2CCC[N@H+]2Cc2ccccc2O)NC(=O)NC1=O ZINC000289719105 409284940 /nfs/dbraw/zinc/28/49/40/409284940.db2.gz PGERJSAZKJNPJI-WBMJQRKESA-N 1 1 303.362 1.345 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000290083852 409298507 /nfs/dbraw/zinc/29/85/07/409298507.db2.gz GQARHQPRMMAWAO-QWRGUYRKSA-N 1 1 310.350 1.902 20 10 DDCDMO COc1c(O)c(C[N@H+]2CC[C@H](CO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000290083852 409298510 /nfs/dbraw/zinc/29/85/10/409298510.db2.gz GQARHQPRMMAWAO-QWRGUYRKSA-N 1 1 310.350 1.902 20 10 DDCDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000294992759 409308018 /nfs/dbraw/zinc/30/80/18/409308018.db2.gz HRSFJIDGQZKMEX-QGZVFWFLSA-N 1 1 306.406 1.764 20 10 DDCDMO Cc1cc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)ccc1N(C)C ZINC000295510522 409323237 /nfs/dbraw/zinc/32/32/37/409323237.db2.gz UBFUXOANAZAMRW-ROUUACIJSA-N 1 1 303.450 1.966 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)CO)cc1 ZINC000295176997 409360654 /nfs/dbraw/zinc/36/06/54/409360654.db2.gz HNAJKHHHILQFTB-UHFFFAOYSA-N 1 1 307.438 1.319 20 10 DDCDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCC[N@H+]1C ZINC000299615366 410602501 /nfs/dbraw/zinc/60/25/01/410602501.db2.gz ZNZNVQBBZAQEGH-QGZVFWFLSA-N 1 1 317.433 1.576 20 10 DDCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCc3nnc(N)cc3C2)c1 ZINC000366657410 418500863 /nfs/dbraw/zinc/50/08/63/418500863.db2.gz GHCILGNCIGADSV-SNVBAGLBSA-N 1 1 300.362 1.892 20 10 DDCDMO Cc1ccc(O)c(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c1 ZINC000375518627 418653619 /nfs/dbraw/zinc/65/36/19/418653619.db2.gz JRBMGNKJHFDFIH-CABCVRRESA-N 1 1 314.389 1.135 20 10 DDCDMO Cc1cccc(C[N@@H+]2CCC[C@H]2c2nc(C(N)=O)no2)c1O ZINC000369595018 418735089 /nfs/dbraw/zinc/73/50/89/418735089.db2.gz MNNPCODXSWDEIN-NSHDSACASA-N 1 1 302.334 1.520 20 10 DDCDMO Cc1cccc(C[N@H+]2CCC[C@H]2c2nc(C(N)=O)no2)c1O ZINC000369595018 418735091 /nfs/dbraw/zinc/73/50/91/418735091.db2.gz MNNPCODXSWDEIN-NSHDSACASA-N 1 1 302.334 1.520 20 10 DDCDMO Cc1cc(Cl)cc(C[N@H+]2CCN3C(=O)N(C)C[C@@H]3C2)c1O ZINC000369696162 418737021 /nfs/dbraw/zinc/73/70/21/418737021.db2.gz RHSMJCKMMCWDJK-CYBMUJFWSA-N 1 1 309.797 1.906 20 10 DDCDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000362869671 418760376 /nfs/dbraw/zinc/76/03/76/418760376.db2.gz XIHGYOSNFSHOGE-JSGCOSHPSA-N 1 1 303.406 1.676 20 10 DDCDMO COc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)c1 ZINC000365827768 418913801 /nfs/dbraw/zinc/91/38/01/418913801.db2.gz JWQRYBSYNSIRLE-KGLIPLIRSA-N 1 1 304.390 1.891 20 10 DDCDMO CNC(=O)C1C[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000297506666 277223949 /nfs/dbraw/zinc/22/39/49/277223949.db2.gz WSADCKGTVLXDRP-UHFFFAOYSA-N 1 1 315.339 1.949 20 10 DDCDMO COc1ccc(N(C)C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cn1 ZINC000662897223 484528623 /nfs/dbraw/zinc/52/86/23/484528623.db2.gz ICAFRBYWBVJBCJ-JTQLQIEISA-N 1 1 301.350 1.167 20 10 DDCDMO COCCOC[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000266462488 524026446 /nfs/dbraw/zinc/02/64/46/524026446.db2.gz QUHIQBFADDOIMY-LBPRGKRZSA-N 1 1 309.362 1.606 20 10 DDCDMO C[C@H](CO)[N@H+]1CCCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000364921253 524552502 /nfs/dbraw/zinc/55/25/02/524552502.db2.gz IODYUUGRRSQTJI-GFCCVEGCSA-N 1 1 308.378 1.009 20 10 DDCDMO C[C@H](CO)N1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000364921253 524552516 /nfs/dbraw/zinc/55/25/16/524552516.db2.gz IODYUUGRRSQTJI-GFCCVEGCSA-N 1 1 308.378 1.009 20 10 DDCDMO C[C@H](CO)N1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000364921253 524552522 /nfs/dbraw/zinc/55/25/22/524552522.db2.gz IODYUUGRRSQTJI-GFCCVEGCSA-N 1 1 308.378 1.009 20 10 DDCDMO COc1ccc(O)c(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1 ZINC000180245152 524739154 /nfs/dbraw/zinc/73/91/54/524739154.db2.gz CRBOWMQKSOFILB-NSHDSACASA-N 1 1 313.419 1.798 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1 ZINC000180245152 524739162 /nfs/dbraw/zinc/73/91/62/524739162.db2.gz CRBOWMQKSOFILB-NSHDSACASA-N 1 1 313.419 1.798 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1 ZINC000273721413 535752437 /nfs/dbraw/zinc/75/24/37/535752437.db2.gz ILGJTTQVLMIHAN-CQSZACIVSA-N 1 1 319.405 1.827 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1 ZINC000273721411 535752592 /nfs/dbraw/zinc/75/25/92/535752592.db2.gz ILGJTTQVLMIHAN-AWEZNQCLSA-N 1 1 319.405 1.827 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCS(C)(=O)=O)c1 ZINC000273569508 536792697 /nfs/dbraw/zinc/79/26/97/536792697.db2.gz KIHJVQMHHXVAOD-JTQLQIEISA-N 1 1 315.391 1.264 20 10 DDCDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000092304554 696593800 /nfs/dbraw/zinc/59/38/00/696593800.db2.gz IHXDDENPEGCBGG-HNNXBMFYSA-N 1 1 324.446 1.395 20 10 DDCDMO C[N@H+](CC(=O)Nc1ccccc1C(N)=O)Cc1ccccc1O ZINC000109770013 696638246 /nfs/dbraw/zinc/63/82/46/696638246.db2.gz BVCJNILDRWAXNL-UHFFFAOYSA-N 1 1 313.357 1.562 20 10 DDCDMO C[N@@H+](CC(=O)Nc1ccccc1C(N)=O)Cc1ccccc1O ZINC000109770013 696638250 /nfs/dbraw/zinc/63/82/50/696638250.db2.gz BVCJNILDRWAXNL-UHFFFAOYSA-N 1 1 313.357 1.562 20 10 DDCDMO COc1ccc(O)c(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000114588715 696662084 /nfs/dbraw/zinc/66/20/84/696662084.db2.gz LFMRYHWIVIAGGB-GFCCVEGCSA-N 1 1 319.405 1.684 20 10 DDCDMO COc1ccc(N2CCCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000748560129 700125448 /nfs/dbraw/zinc/12/54/48/700125448.db2.gz GPVNALZIGYROSD-QGZVFWFLSA-N 1 1 317.433 1.828 20 10 DDCDMO CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCCO1 ZINC000799201215 700128415 /nfs/dbraw/zinc/12/84/15/700128415.db2.gz SHBLTCNOHAFWHT-QGZVFWFLSA-N 1 1 319.449 1.870 20 10 DDCDMO COc1c(O)c(C[NH2+]C[C@]2(OC)CCOC2)ccc1[N+](=O)[O-] ZINC000775068273 697959450 /nfs/dbraw/zinc/95/94/50/697959450.db2.gz KFCFXMZUUBKPFG-CQSZACIVSA-N 1 1 312.322 1.204 20 10 DDCDMO COCC[C@@H](CO)[NH2+]Cc1cccc(Br)c1O ZINC000305899619 698659881 /nfs/dbraw/zinc/65/98/81/698659881.db2.gz AFKUYSVSNKJHPA-JTQLQIEISA-N 1 1 304.184 1.642 20 10 DDCDMO CC(=O)c1cc(F)cc(CN2CC[N@H+](CCO)C(C)(C)C2)c1O ZINC000781960680 698666514 /nfs/dbraw/zinc/66/65/14/698666514.db2.gz MAMPKXJWGFBLTJ-UHFFFAOYSA-N 1 1 324.396 1.622 20 10 DDCDMO CC(=O)c1cc(F)cc(CN2CC[N@@H+](CCO)C(C)(C)C2)c1O ZINC000781960680 698666517 /nfs/dbraw/zinc/66/65/17/698666517.db2.gz MAMPKXJWGFBLTJ-UHFFFAOYSA-N 1 1 324.396 1.622 20 10 DDCDMO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000788537001 699322530 /nfs/dbraw/zinc/32/25/30/699322530.db2.gz SBOZGFMBWLVKSM-MAUKXSAKSA-N 1 1 319.449 1.068 20 10 DDCDMO COc1cccc(O)c1C[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000789764504 699407405 /nfs/dbraw/zinc/40/74/05/699407405.db2.gz HQBXSALXBOLKTF-OKILXGFUSA-N 1 1 308.422 1.942 20 10 DDCDMO CC[N@H+](Cc1cc(C)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000732445389 699559823 /nfs/dbraw/zinc/55/98/23/699559823.db2.gz JRGDEODHKSLOKH-CYBMUJFWSA-N 1 1 313.419 1.718 20 10 DDCDMO CC[N@@H+](Cc1cc(C)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000732445389 699559824 /nfs/dbraw/zinc/55/98/24/699559824.db2.gz JRGDEODHKSLOKH-CYBMUJFWSA-N 1 1 313.419 1.718 20 10 DDCDMO CCCNC(=O)CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756459261 700622636 /nfs/dbraw/zinc/62/26/36/700622636.db2.gz MBDPDJJTFVPVDO-NSHDSACASA-N 1 1 308.378 1.746 20 10 DDCDMO COc1cc(Br)cc(C[N@@H+](C)[C@H](C)CO)c1O ZINC000809746180 701685612 /nfs/dbraw/zinc/68/56/12/701685612.db2.gz SFKFWILVYRLSOZ-MRVPVSSYSA-N 1 1 304.184 1.976 20 10 DDCDMO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809764866 701687664 /nfs/dbraw/zinc/68/76/64/701687664.db2.gz LCEPWIGOYHCOPY-CYBMUJFWSA-N 1 1 321.396 1.373 20 10 DDCDMO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809764866 701687666 /nfs/dbraw/zinc/68/76/66/701687666.db2.gz LCEPWIGOYHCOPY-CYBMUJFWSA-N 1 1 321.396 1.373 20 10 DDCDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000809768169 701688171 /nfs/dbraw/zinc/68/81/71/701688171.db2.gz DHHBOGAFRKDXPJ-SFHVURJKSA-N 1 1 322.449 1.741 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1CN1CCCC1)[C@H](O)CO2 ZINC000768445702 701177494 /nfs/dbraw/zinc/17/74/94/701177494.db2.gz GQLSVGRENRSOIB-WMLDXEAASA-N 1 1 318.417 1.878 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1CN1CCCC1)[C@H](O)CO2 ZINC000768445702 701177497 /nfs/dbraw/zinc/17/74/97/701177497.db2.gz GQLSVGRENRSOIB-WMLDXEAASA-N 1 1 318.417 1.878 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000769378994 701242847 /nfs/dbraw/zinc/24/28/47/701242847.db2.gz GPKFOGFVRSZFFJ-CYBMUJFWSA-N 1 1 304.390 1.988 20 10 DDCDMO CCOc1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c(O)c1 ZINC000769492482 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CC(C)[N@@H+](CC(N)=O)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768179401 701162181 /nfs/dbraw/zinc/16/21/81/701162181.db2.gz BAHGBMQGRCXAOG-UHFFFAOYSA-N 1 1 309.385 1.358 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](n3ccnc3)C1)[C@H](O)CO2 ZINC000768447054 701177609 /nfs/dbraw/zinc/17/76/09/701177609.db2.gz QPXCPRJGHIPMPS-XJKSGUPXSA-N 1 1 315.373 1.852 20 10 DDCDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCN(C2CC2)C1 ZINC000768448610 701177897 /nfs/dbraw/zinc/17/78/97/701177897.db2.gz SUEKDQPUJVTDKN-CJNGLKHVSA-N 1 1 304.390 1.487 20 10 DDCDMO CN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000768448610 701177899 /nfs/dbraw/zinc/17/78/99/701177899.db2.gz SUEKDQPUJVTDKN-CJNGLKHVSA-N 1 1 304.390 1.487 20 10 DDCDMO CN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000768448610 701177902 /nfs/dbraw/zinc/17/79/02/701177902.db2.gz SUEKDQPUJVTDKN-CJNGLKHVSA-N 1 1 304.390 1.487 20 10 DDCDMO COC(=O)CC[N@@H+](Cc1cccc(OC)c1O)C1CCOCC1 ZINC000769505960 701247870 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[NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)nn1 ZINC000841099341 702346166 /nfs/dbraw/zinc/34/61/66/702346166.db2.gz IIACAZOAVMURDB-CYBMUJFWSA-N 1 1 321.812 1.933 20 10 DDCDMO CC1(C)CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841139784 702362289 /nfs/dbraw/zinc/36/22/89/702362289.db2.gz MCXREMHFPKBJQN-UHFFFAOYSA-N 1 1 304.394 1.198 20 10 DDCDMO C[C@H](NCC(F)(F)C[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817965839 702537767 /nfs/dbraw/zinc/53/77/67/702537767.db2.gz CYTLGQJMTZOASC-NSHDSACASA-N 1 1 317.355 1.907 20 10 DDCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC[NH2+]C1 ZINC000841938777 702627917 /nfs/dbraw/zinc/62/79/17/702627917.db2.gz IIPPJODMTLZYKM-SECBINFHSA-N 1 1 304.177 1.860 20 10 DDCDMO Cn1cc([C@@H]2CN(Cc3cc(Cl)cc(F)c3O)C[C@H]2[NH3+])cn1 ZINC000818431290 702647685 /nfs/dbraw/zinc/64/76/85/702647685.db2.gz IMKUMWASRJXRGJ-GXTWGEPZSA-N 1 1 324.787 1.845 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000843433913 702881218 /nfs/dbraw/zinc/88/12/18/702881218.db2.gz 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ZINC000855224056 704473995 /nfs/dbraw/zinc/47/39/95/704473995.db2.gz DVFZUYPSHVPNKV-GJZGRUSLSA-N 1 1 317.433 1.732 20 10 DDCDMO COCC[N@@H+]1CC[C@H](NCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858131192 704668972 /nfs/dbraw/zinc/66/89/72/704668972.db2.gz MXVUKBSFEUTQEG-ZDUSSCGKSA-N 1 1 313.392 1.841 20 10 DDCDMO COCC[N@H+]1CC[C@H](NCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858131192 704668973 /nfs/dbraw/zinc/66/89/73/704668973.db2.gz MXVUKBSFEUTQEG-ZDUSSCGKSA-N 1 1 313.392 1.841 20 10 DDCDMO CN(C)c1cc(F)c(C[NH2+]CCS(=O)(=O)N(C)C)cc1F ZINC000858166234 704672719 /nfs/dbraw/zinc/67/27/19/704672719.db2.gz DPZCOJQQCVTMPH-UHFFFAOYSA-N 1 1 321.393 1.012 20 10 DDCDMO COCC[N@@H+](C)CCCNC(=O)NCc1cc(C)ccc1O ZINC000858275707 704688144 /nfs/dbraw/zinc/68/81/44/704688144.db2.gz VNLNUSCPDUDZJG-UHFFFAOYSA-N 1 1 309.410 1.468 20 10 DDCDMO CN1C(=O)CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1=O ZINC000822520575 704966977 /nfs/dbraw/zinc/96/69/77/704966977.db2.gz HIGKHSKZQUKELV-SNVBAGLBSA-N 1 1 300.717 1.422 20 10 DDCDMO C[C@H](CN1CCN(C)CC1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835038165 707160721 /nfs/dbraw/zinc/16/07/21/707160721.db2.gz NXBNWPAAJSQICU-KEGWNNHHSA-N 1 1 316.493 1.991 20 10 DDCDMO C[C@@H](CN1CCN(C)CC1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835038168 707160960 /nfs/dbraw/zinc/16/09/60/707160960.db2.gz NXBNWPAAJSQICU-OSJSJHBBSA-N 1 1 316.493 1.991 20 10 DDCDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1Cl ZINC000825633712 705705891 /nfs/dbraw/zinc/70/58/91/705705891.db2.gz CTAQRMDUGHEFIG-SNVBAGLBSA-N 1 1 304.799 1.217 20 10 DDCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1Cl ZINC000825633712 705705895 /nfs/dbraw/zinc/70/58/95/705705895.db2.gz CTAQRMDUGHEFIG-SNVBAGLBSA-N 1 1 304.799 1.217 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000826123553 705775074 /nfs/dbraw/zinc/77/50/74/705775074.db2.gz QGSVRABTJSQWMO-XJKSGUPXSA-N 1 1 323.433 1.873 20 10 DDCDMO CCNC(=O)C[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000827438009 706001308 /nfs/dbraw/zinc/00/13/08/706001308.db2.gz GPEMEYPBBNKHOI-UHFFFAOYSA-N 1 1 319.449 1.870 20 10 DDCDMO CCNC(=O)C[N@@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000827438009 706001311 /nfs/dbraw/zinc/00/13/11/706001311.db2.gz GPEMEYPBBNKHOI-UHFFFAOYSA-N 1 1 319.449 1.870 20 10 DDCDMO COc1cccc(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c1O ZINC000827634359 706041092 /nfs/dbraw/zinc/04/10/92/706041092.db2.gz NUANHINQLQJGIY-ZDUSSCGKSA-N 1 1 304.390 1.845 20 10 DDCDMO COc1ccc(N2CC[NH+](CC[S@](C)=O)CC2)cc1F ZINC000828031882 706106482 /nfs/dbraw/zinc/10/64/82/706106482.db2.gz PPSRFEYSPGTIBG-FQEVSTJZSA-N 1 1 300.399 1.335 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1 ZINC000877721348 706189556 /nfs/dbraw/zinc/18/95/56/706189556.db2.gz VGWSGCYBCNGUMW-IYBDPMFKSA-N 1 1 315.417 1.579 20 10 DDCDMO Cc1cccc(O)c1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877746274 706197022 /nfs/dbraw/zinc/19/70/22/706197022.db2.gz KLXVKRKBNPBTJM-UHFFFAOYSA-N 1 1 303.450 1.912 20 10 DDCDMO OC[C@H]1CSCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877780464 706208362 /nfs/dbraw/zinc/20/83/62/706208362.db2.gz RZHWSFXUKGMJQG-INIZCTEOSA-N 1 1 322.474 1.557 20 10 DDCDMO C[N@H+]1CCn2nc(NCc3cc([N+](=O)[O-])ccc3[O-])cc2C1 ZINC000865844299 706541960 /nfs/dbraw/zinc/54/19/60/706541960.db2.gz IEMICZJAFVPRFR-UHFFFAOYSA-N 1 1 303.322 1.554 20 10 DDCDMO [O-]c1c(F)cc(F)cc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000882991428 707888382 /nfs/dbraw/zinc/88/83/82/707888382.db2.gz ZTWRSKPNPBYFTA-CQSZACIVSA-N 1 1 314.376 1.997 20 10 DDCDMO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883075074 707919209 /nfs/dbraw/zinc/91/92/09/707919209.db2.gz QUGSNPFSQRJKPY-SECBINFHSA-N 1 1 320.361 1.042 20 10 DDCDMO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)O1 ZINC000883082424 707921379 /nfs/dbraw/zinc/92/13/79/707921379.db2.gz GBPQFKMJANJUQS-WCQYABFASA-N 1 1 314.332 1.396 20 10 DDCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000883084212 707921456 /nfs/dbraw/zinc/92/14/56/707921456.db2.gz KQGPXPZXJDSANF-LBPRGKRZSA-N 1 1 315.316 1.682 20 10 DDCDMO OC[C@]1(O)CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000839159725 708031429 /nfs/dbraw/zinc/03/14/29/708031429.db2.gz OZWTWOXKKUKXFB-ZDUSSCGKSA-N 1 1 316.195 1.474 20 10 DDCDMO Cc1cc(Br)cc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c1O ZINC000839167269 708032366 /nfs/dbraw/zinc/03/23/66/708032366.db2.gz WIPRTENDTXRAJE-PWSUYJOCSA-N 1 1 316.195 1.248 20 10 DDCDMO COc1cccc(O)c1C[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000897558271 708373695 /nfs/dbraw/zinc/37/36/95/708373695.db2.gz HDQPRYWREYAMJP-INIZCTEOSA-N 1 1 303.362 1.708 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000897558271 708373699 /nfs/dbraw/zinc/37/36/99/708373699.db2.gz HDQPRYWREYAMJP-INIZCTEOSA-N 1 1 303.362 1.708 20 10 DDCDMO COc1cc(O)c(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1OC ZINC000897621706 708398474 /nfs/dbraw/zinc/39/84/74/708398474.db2.gz OZIQYSONGWZRIY-SUMWQHHRSA-N 1 1 306.406 1.793 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)cc1OC ZINC000897621706 708398478 /nfs/dbraw/zinc/39/84/78/708398478.db2.gz 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O=C1Cc2c[nH+]c(NCCc3cc(O)c(O)cc3O)cc2N1 ZINC001168005867 740536664 /nfs/dbraw/zinc/53/66/64/740536664.db2.gz HCBVIYGJRHNLDC-UHFFFAOYSA-N 1 1 301.302 1.348 20 10 DDCDMO Oc1ccc(C[N@@H+]2CCC[C@H](Oc3cnccn3)C2)cc1O ZINC001203883405 747250740 /nfs/dbraw/zinc/25/07/40/747250740.db2.gz KLFRFLVMXKMPIC-ZDUSSCGKSA-N 1 1 301.346 1.931 20 10 DDCDMO Oc1ccc(C[N@H+]2CCC[C@H](Oc3cnccn3)C2)cc1O ZINC001203883405 747250744 /nfs/dbraw/zinc/25/07/44/747250744.db2.gz KLFRFLVMXKMPIC-ZDUSSCGKSA-N 1 1 301.346 1.931 20 10 DDCDMO COCCC(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089798291 747872924 /nfs/dbraw/zinc/87/29/24/747872924.db2.gz ZRLBXTUOIAZYKS-UHFFFAOYSA-N 1 1 318.421 1.773 20 10 DDCDMO Cc1cccc(CNC(=S)NCCC[NH+]2CCOCC2)c1O ZINC001199954904 748065183 /nfs/dbraw/zinc/06/51/83/748065183.db2.gz IADWYDAUNVHDEZ-UHFFFAOYSA-N 1 1 323.462 1.387 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CCC(=O)N(C)C3)cc2)CC1 ZINC001200611771 748306236 /nfs/dbraw/zinc/30/62/36/748306236.db2.gz PRMTXCHBBFZNCE-INIZCTEOSA-N 1 1 316.449 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C[NH+](C)C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000775630136 881395896 /nfs/dbraw/zinc/39/58/96/881395896.db2.gz KDDPCNLQPZPYGU-LBPRGKRZSA-N 1 1 302.777 1.947 20 10 DDCDMO OCCCN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138496021 860119029 /nfs/dbraw/zinc/11/90/29/860119029.db2.gz NCVUHBXGNIHMIE-UHFFFAOYSA-N 1 1 319.449 1.023 20 10 DDCDMO CC(=O)[C@@H]1CCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139411470 860390810 /nfs/dbraw/zinc/39/08/10/860390810.db2.gz NRAQWEGLTKKVDP-SFHVURJKSA-N 1 1 301.434 1.992 20 10 DDCDMO COC(C[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1)OC ZINC001139412835 860392314 /nfs/dbraw/zinc/39/23/14/860392314.db2.gz POPJDUNSNUDOIA-UHFFFAOYSA-N 1 1 307.438 1.489 20 10 DDCDMO COC(C[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1)OC ZINC001139412835 860392317 /nfs/dbraw/zinc/39/23/17/860392317.db2.gz POPJDUNSNUDOIA-UHFFFAOYSA-N 1 1 307.438 1.489 20 10 DDCDMO Cc1ccc(C)c(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)c1O ZINC001140185410 860588103 /nfs/dbraw/zinc/58/81/03/860588103.db2.gz UVUUQHJMDZILRV-OAHLLOKOSA-N 1 1 301.390 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COc1c(O)c(C[NH2+]CCCn2ccnn2)ccc1[N+](=O)[O-] ZINC000775060272 697958665 /nfs/dbraw/zinc/95/86/65/697958665.db2.gz IKXDBWOFAXZMRW-UHFFFAOYSA-N 1 1 307.310 1.080 20 10 DDCDMO C[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000775403152 697992957 /nfs/dbraw/zinc/99/29/57/697992957.db2.gz GVNSSCNGWZTRMW-LSDHHAIUSA-N 1 1 318.465 1.566 20 10 DDCDMO C[C@H]([NH2+]C[C@@H](O)CN1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000775833320 698042592 /nfs/dbraw/zinc/04/25/92/698042592.db2.gz BLABPDVKMDBWGV-MAUKXSAKSA-N 1 1 320.481 1.012 20 10 DDCDMO COc1ccc(O)c(CNC(=O)Cn2c[nH+]c3c2CCCC3)c1 ZINC000777802700 698223545 /nfs/dbraw/zinc/22/35/45/698223545.db2.gz USHAFXMMTOCICZ-UHFFFAOYSA-N 1 1 315.373 1.793 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](O)C3(C)C)cc2)CC1 ZINC000778192627 698248264 /nfs/dbraw/zinc/24/82/64/698248264.db2.gz DMVIKPSLQAFAAX-DLBZAZTESA-N 1 1 303.450 1.687 20 10 DDCDMO Oc1c(F)cc(Br)cc1C[NH2+]C1COCCOC1 ZINC000715747141 699276436 /nfs/dbraw/zinc/27/64/36/699276436.db2.gz 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CCOC(=O)CN(CCc1c[nH+]cn1C)Cc1ccccc1O ZINC000823575774 705269953 /nfs/dbraw/zinc/26/99/53/705269953.db2.gz BLYMNBTUQOFBPY-UHFFFAOYSA-N 1 1 317.389 1.734 20 10 DDCDMO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000835076228 707167886 /nfs/dbraw/zinc/16/78/86/707167886.db2.gz LXMKUILKDHCLFX-UHFFFAOYSA-N 1 1 318.465 1.443 20 10 DDCDMO COc1ccc(N2CC[NH+](CCNC(=O)CCCF)CC2)cc1 ZINC000824285491 705417901 /nfs/dbraw/zinc/41/79/01/705417901.db2.gz KUUWWZLFBVCMDI-UHFFFAOYSA-N 1 1 323.412 1.683 20 10 DDCDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000824450880 705454680 /nfs/dbraw/zinc/45/46/80/705454680.db2.gz ALWGIJAJXIQJAB-NSHDSACASA-N 1 1 320.345 1.395 20 10 DDCDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(C)ccc2O)CC12COC2 ZINC000824489550 705463424 /nfs/dbraw/zinc/46/34/24/705463424.db2.gz MTAMKODKPTUBNS-CQSZACIVSA-N 1 1 305.374 1.712 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1F ZINC000824893007 705552961 /nfs/dbraw/zinc/55/29/61/705552961.db2.gz 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CC(=O)NC1C[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138336994 860062293 /nfs/dbraw/zinc/06/22/93/860062293.db2.gz ISPFLVIYXVHVNI-UHFFFAOYSA-N 1 1 315.417 1.411 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](O)[C@@H](F)CC3)cc2)CC1 ZINC001139408343 860391267 /nfs/dbraw/zinc/39/12/67/860391267.db2.gz KHUGJIJXPHXWPY-ROUUACIJSA-N 1 1 321.440 1.733 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@H](O)[C@@H](F)CC3)cc2)CC1 ZINC001139408343 860391272 /nfs/dbraw/zinc/39/12/72/860391272.db2.gz KHUGJIJXPHXWPY-ROUUACIJSA-N 1 1 321.440 1.733 20 10 DDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@H]1O ZINC001140660338 860669286 /nfs/dbraw/zinc/66/92/86/860669286.db2.gz ONEKEZIBRJXQJV-CXAGYDPISA-N 1 1 308.397 1.865 20 10 DDCDMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141032932 860769202 /nfs/dbraw/zinc/76/92/02/860769202.db2.gz SYSLKWAUPDDSDM-GFCCVEGCSA-N 1 1 322.405 1.900 20 10 DDCDMO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCN4C)C[C@@H]21 ZINC001141144197 860794993 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C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CC[N@H+]1C ZINC000919908845 713641644 /nfs/dbraw/zinc/64/16/44/713641644.db2.gz KMVYLTQBYOCIFE-RHSMWYFYSA-N 1 1 314.433 1.955 20 10 DDCDMO CN(C)c1ccc(CNC(=O)CN2[C@@H]3CC[C@H]2C[N@H+](C)C3)cc1 ZINC000931393507 714082831 /nfs/dbraw/zinc/08/28/31/714082831.db2.gz IUCYDBAUVYCNIH-CALCHBBNSA-N 1 1 316.449 1.147 20 10 DDCDMO COc1c(O)c(C[NH2+]CCO[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC001183959249 743942800 /nfs/dbraw/zinc/94/28/00/743942800.db2.gz OOKINVSRWBUQBK-NSHDSACASA-N 1 1 312.322 1.204 20 10 DDCDMO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCN2C)cc1C ZINC001124877148 748588713 /nfs/dbraw/zinc/58/87/13/748588713.db2.gz COMNVYZUNUQZFS-OAHLLOKOSA-N 1 1 305.422 1.304 20 10 DDCDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(Br)cc1O ZINC000691777415 748840336 /nfs/dbraw/zinc/84/03/36/748840336.db2.gz AJUHIBCIIXNPGE-VIFPVBQESA-N 1 1 315.211 1.969 20 10 DDCDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CC[C@H]21 ZINC001137305497 759510982 /nfs/dbraw/zinc/51/09/82/759510982.db2.gz LWVWFNDQWWOTLZ-ZIAGYGMSSA-N 1 1 304.390 1.583 20 10 DDCDMO CCN1CC[C@]2(CCC[N@@H+](Cc3c(O)cc(O)cc3O)C2)C1=O ZINC001144508683 772551750 /nfs/dbraw/zinc/55/17/50/772551750.db2.gz VDEWHROYVINGNN-KRWDZBQOSA-N 1 1 320.389 1.638 20 10 DDCDMO CC(=O)N1CC[C@H]([N@H+](Cc2c(O)cc(O)cc2O)C(C)C)C1 ZINC001144515224 772558287 /nfs/dbraw/zinc/55/82/87/772558287.db2.gz IJBBYCRPCVPRCO-LBPRGKRZSA-N 1 1 308.378 1.635 20 10 DDCDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccc(N)cc1 ZINC001120263019 781841540 /nfs/dbraw/zinc/84/15/40/781841540.db2.gz HMBUENVMSUUBOY-HNNXBMFYSA-N 1 1 311.451 1.563 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCOC[C@@]3(CC(=O)N(C)C3)C2)c1 ZINC001272636566 846436874 /nfs/dbraw/zinc/43/68/74/846436874.db2.gz GRTKCGXHFRVTIA-QGZVFWFLSA-N 1 1 320.389 1.082 20 10 DDCDMO COC(=O)[C@@H]1CN(Cc2cc(F)cc(Cl)c2O)C[C@H]1[NH3+] ZINC001236348202 846572787 /nfs/dbraw/zinc/57/27/87/846572787.db2.gz CTGRKKMDCJUOAV-MWLCHTKSSA-N 1 1 302.733 1.117 20 10 DDCDMO C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237799259 846708734 /nfs/dbraw/zinc/70/87/34/846708734.db2.gz QJTPDYHQGGMEOB-UHFFFAOYSA-N 1 1 315.820 1.864 20 10 DDCDMO Cc1cccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(C)C3)C2)c1O ZINC001273769664 851322221 /nfs/dbraw/zinc/32/22/21/851322221.db2.gz KXXGZPFZLFYZFN-KRWDZBQOSA-N 1 1 304.390 1.381 20 10 DDCDMO COc1ccc(C[NH+]2CC3(CCN3Cc3cn[nH]c3)C2)c(O)c1 ZINC001275276435 852945668 /nfs/dbraw/zinc/94/56/68/852945668.db2.gz YXJKNMPFVPXCDJ-UHFFFAOYSA-N 1 1 314.389 1.584 20 10 DDCDMO COCCOCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(C)ccc1O ZINC001275311584 852971871 /nfs/dbraw/zinc/97/18/71/852971871.db2.gz FNOKJOJGJZFWMB-IRXDYDNUSA-N 1 1 320.433 1.970 20 10 DDCDMO C[N@H+]1CCC2(CN(Cc3ccc(N4CCOCC4)cc3F)C2)C1 ZINC001275320428 852978529 /nfs/dbraw/zinc/97/85/29/852978529.db2.gz WCEKJJJEBLGJON-UHFFFAOYSA-N 1 1 319.424 1.800 20 10 DDCDMO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCN2C)cc1C ZINC001155813533 862472754 /nfs/dbraw/zinc/47/27/54/862472754.db2.gz RHMMQKOGLASWRC-MRXNPFEDSA-N 1 1 319.449 1.694 20 10 DDCDMO COCCOCN1CCC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001275912605 853930644 /nfs/dbraw/zinc/93/06/44/853930644.db2.gz CWJKVPXJMKZPQL-UHFFFAOYSA-N 1 1 310.369 1.412 20 10 DDCDMO C[C@@]1(CO)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC001138496573 860119538 /nfs/dbraw/zinc/11/95/38/860119538.db2.gz UPHMROPUGBLMFO-MSOLQXFVSA-N 1 1 320.433 1.088 20 10 DDCDMO OC1CCN(c2ccc(C[N@H+]3CC[C@H](F)[C@@H](O)C3)cc2)CC1 ZINC001140283391 860611679 /nfs/dbraw/zinc/61/16/79/860611679.db2.gz RUGDBVKZCVFXDJ-IRXDYDNUSA-N 1 1 308.397 1.552 20 10 DDCDMO Cc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)c(O)c1 ZINC001140954992 860745388 /nfs/dbraw/zinc/74/53/88/860745388.db2.gz OAZJBRXSLVCRIO-JKSUJKDBSA-N 1 1 308.397 1.945 20 10 DDCDMO CC[N@@H+]1C[C@H]2CN(Cc3c(O)cc(OC)cc3OC)C[C@H]2C1 ZINC001141032716 860768476 /nfs/dbraw/zinc/76/84/76/860768476.db2.gz NIWPWOAQEBCITJ-BETUJISGSA-N 1 1 306.406 1.793 20 10 DDCDMO O[C@@H]1C[C@H]2CN(Cc3ccc(N4CCCC4)cc3)CC[N@H+]2C1 ZINC001329104173 863479373 /nfs/dbraw/zinc/47/93/73/863479373.db2.gz HBFJUJQATFDJIS-ZWKOTPCHSA-N 1 1 301.434 1.538 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)CCOC(=O)N(C)C)cc1 ZINC001332537444 865916641 /nfs/dbraw/zinc/91/66/41/865916641.db2.gz COUYXFFURVECQX-UHFFFAOYSA-N 1 1 309.410 1.761 20 10 DDCDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001320060149 866451213 /nfs/dbraw/zinc/45/12/13/866451213.db2.gz LSQMKSNRGFFLKG-ZBFHGGJFSA-N 1 1 321.440 1.780 20 10 DDCDMO C[C@H]1COCCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324376634 867240759 /nfs/dbraw/zinc/24/07/59/867240759.db2.gz CDZJWIMKPQQJBY-AWEZNQCLSA-N 1 1 307.413 1.798 20 10 DDCDMO Oc1ccc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)cc1O ZINC001203878769 870812646 /nfs/dbraw/zinc/81/26/46/870812646.db2.gz KYNQOGCMOPGIBR-JJRVBVJISA-N 1 1 305.374 1.724 20 10 DDCDMO Oc1ccc(C[N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)cc1O ZINC001203878769 870812652 /nfs/dbraw/zinc/81/26/52/870812652.db2.gz KYNQOGCMOPGIBR-JJRVBVJISA-N 1 1 305.374 1.724 20 10 DDCDMO Oc1ccc(C[N@H+]2CC[C@]3(CCN3c3ncccn3)C2)c(O)c1 ZINC001204273977 871032690 /nfs/dbraw/zinc/03/26/90/871032690.db2.gz XCCYQRBFKKXUCE-KRWDZBQOSA-N 1 1 312.373 1.743 20 10 DDCDMO COc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccc(O)cc3O)C2)n1 ZINC001204282760 871039572 /nfs/dbraw/zinc/03/95/72/871039572.db2.gz VYYDZSBSLVFQHR-CYBMUJFWSA-N 1 1 317.345 1.550 20 10 DDCDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCN1C ZINC001204328967 871058298 /nfs/dbraw/zinc/05/82/98/871058298.db2.gz WCEYMQQTNVZVAO-KRWDZBQOSA-N 1 1 317.433 1.576 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCN1C ZINC001204328967 871058314 /nfs/dbraw/zinc/05/83/14/871058314.db2.gz WCEYMQQTNVZVAO-KRWDZBQOSA-N 1 1 317.433 1.576 20 10 DDCDMO Nc1ccc(CC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC001341094067 871500406 /nfs/dbraw/zinc/50/04/06/871500406.db2.gz NSAVTYIXXWVNKO-LSDHHAIUSA-N 1 1 305.447 1.507 20 10 DDCDMO CCOc1cccc(C[NH2+]Cc2nnc3n2CCOC3)c1O ZINC001343583332 872678208 /nfs/dbraw/zinc/67/82/08/872678208.db2.gz GOMDAANBSXASQD-UHFFFAOYSA-N 1 1 304.350 1.202 20 10 DDCDMO COc1cc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c(O)cc1O ZINC001231638341 885774952 /nfs/dbraw/zinc/77/49/52/885774952.db2.gz YCMCBHXBFADLDV-NSHDSACASA-N 1 1 314.332 1.632 20 10 DDCDMO COc1cc(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c(O)cc1O ZINC001231638341 885774967 /nfs/dbraw/zinc/77/49/67/885774967.db2.gz YCMCBHXBFADLDV-NSHDSACASA-N 1 1 314.332 1.632 20 10 DDCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(O)cc2O)CC1 ZINC001231640635 885778445 /nfs/dbraw/zinc/77/84/45/885778445.db2.gz TWQSRDGEKNKIJM-NSHDSACASA-N 1 1 309.362 1.882 20 10 DDCDMO CCO[C@@H]1C[C@H]2CN(Cc3cc(O)c(O)c(O)c3)CC[N@H+]2C1 ZINC001233013354 886725407 /nfs/dbraw/zinc/72/54/07/886725407.db2.gz SFPWKMBVZBALKA-QWHCGFSZSA-N 1 1 308.378 1.098 20 10 DDCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC001233288130 886900010 /nfs/dbraw/zinc/90/00/10/886900010.db2.gz YBQPOYBVMSMUQL-JQWIXIFHSA-N 1 1 301.770 1.229 20 10 DDCDMO CN(C1COC1)C1C[NH+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454607 887000087 /nfs/dbraw/zinc/00/00/87/887000087.db2.gz BUVIDGYHDHESBX-UHFFFAOYSA-N 1 1 316.323 1.926 20 10 DDCDMO Cc1ccnc(N2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)n1 ZINC001233487153 887022120 /nfs/dbraw/zinc/02/21/20/887022120.db2.gz RZSFOYMJUBZIJH-UHFFFAOYSA-N 1 1 316.361 1.224 20 10 DDCDMO [NH3+][C@]12C[C@H]1CN(Cc1c(O)cc(Br)cc1F)C2 ZINC001236024181 889061776 /nfs/dbraw/zinc/06/17/76/889061776.db2.gz HYWJPJDDUOLFEF-MADCSZMMSA-N 1 1 301.159 1.827 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c(Cl)c1 ZINC001236798863 889358760 /nfs/dbraw/zinc/35/87/60/889358760.db2.gz PSUHKNXRYMXYFP-ZANVPECISA-N 1 1 301.770 1.229 20 10 DDCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc3ccccc3cc2O)CCN1C ZINC001236837621 889379355 /nfs/dbraw/zinc/37/93/55/889379355.db2.gz RLZZWLVIGFLJJB-MRXNPFEDSA-N 1 1 314.385 1.834 20 10 DDCDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237682541 889803298 /nfs/dbraw/zinc/80/32/98/889803298.db2.gz AVFVXRTVCNWXLT-INIZCTEOSA-N 1 1 309.362 1.794 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+](C)C[C@H]2CCCO2)cc1 ZINC000076299571 406962616 /nfs/dbraw/zinc/96/26/16/406962616.db2.gz KHHOLRCBGVPEKJ-MRXNPFEDSA-N 1 1 305.422 1.480 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)C[C@H]2CCCO2)cc1 ZINC000076299571 406962618 /nfs/dbraw/zinc/96/26/18/406962618.db2.gz KHHOLRCBGVPEKJ-MRXNPFEDSA-N 1 1 305.422 1.480 20 10 DDCDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093813687 407202016 /nfs/dbraw/zinc/20/20/16/407202016.db2.gz WXNMANONDGTFLV-SFHVURJKSA-N 1 1 318.417 1.908 20 10 DDCDMO C[C@@H](C(=O)N(C)C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153459024 407829563 /nfs/dbraw/zinc/82/95/63/407829563.db2.gz LLVFMWGLKNXDCZ-AWEZNQCLSA-N 1 1 305.422 1.432 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000270227537 408486485 /nfs/dbraw/zinc/48/64/85/408486485.db2.gz ZOPPKECSSBIIQL-RDJZCZTQSA-N 1 1 319.449 1.462 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)C[C@H]2CCC[C@H]2O)cc1 ZINC000270227534 408486954 /nfs/dbraw/zinc/48/69/54/408486954.db2.gz ZOPPKECSSBIIQL-NVXWUHKLSA-N 1 1 319.449 1.462 20 10 DDCDMO COc1cc(Cl)cc(C[N@@H+]2CCCN(C(N)=O)CC2)c1O ZINC000184685852 408667254 /nfs/dbraw/zinc/66/72/54/408667254.db2.gz LSMMQWRZBPQXFV-UHFFFAOYSA-N 1 1 313.785 1.641 20 10 DDCDMO COc1cc(Cl)cc(C[N@H+]2CCCN(C(N)=O)CC2)c1O ZINC000184685852 408667259 /nfs/dbraw/zinc/66/72/59/408667259.db2.gz LSMMQWRZBPQXFV-UHFFFAOYSA-N 1 1 313.785 1.641 20 10 DDCDMO CCN1CC[NH+](CCCNC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000177671915 408683248 /nfs/dbraw/zinc/68/32/48/408683248.db2.gz KXAQKKCLAMSPDN-UHFFFAOYSA-N 1 1 321.421 1.164 20 10 DDCDMO C[C@@H](O)C[N@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](C)C1 ZINC000194017766 408759367 /nfs/dbraw/zinc/75/93/67/408759367.db2.gz SEQUALHKJXZPKH-DRKGASSASA-N 1 1 320.389 1.025 20 10 DDCDMO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000279441848 409215544 /nfs/dbraw/zinc/21/55/44/409215544.db2.gz PIONCFDCXZYSON-AWEZNQCLSA-N 1 1 310.419 1.392 20 10 DDCDMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296563695 409621432 /nfs/dbraw/zinc/62/14/32/409621432.db2.gz UNKMCIXIFGUVAX-GDBMZVCRSA-N 1 1 303.450 1.995 20 10 DDCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c1O ZINC000377653055 418712158 /nfs/dbraw/zinc/71/21/58/418712158.db2.gz MBHUBJVRDXFEFE-YPMHNXCESA-N 1 1 322.792 1.816 20 10 DDCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c1O ZINC000377653055 418712162 /nfs/dbraw/zinc/71/21/62/418712162.db2.gz MBHUBJVRDXFEFE-YPMHNXCESA-N 1 1 322.792 1.816 20 10 DDCDMO Cn1ccc(N2CC[C@H]([NH2+]Cc3cccc(F)c3O)C2=O)n1 ZINC000378497995 418723892 /nfs/dbraw/zinc/72/38/92/418723892.db2.gz RMJPLOGEAXPYGU-LBPRGKRZSA-N 1 1 304.325 1.160 20 10 DDCDMO O=C([C@@H]1CCCO1)N1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000378499807 418724242 /nfs/dbraw/zinc/72/42/42/418724242.db2.gz QLRXJEOPTKKIJO-INIZCTEOSA-N 1 1 322.380 1.745 20 10 DDCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000365895180 418920419 /nfs/dbraw/zinc/92/04/19/418920419.db2.gz LLLGVTBGMYECTQ-YPMHNXCESA-N 1 1 315.373 1.919 20 10 DDCDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](O)C(F)F ZINC000294953394 273751784 /nfs/dbraw/zinc/75/17/84/273751784.db2.gz DEFWPWNFAHYBQZ-KWQFWETISA-N 1 1 320.292 1.803 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c1 ZINC000375358399 337009206 /nfs/dbraw/zinc/00/92/06/337009206.db2.gz YXKCCAAEDGWHKN-QGZVFWFLSA-N 1 1 304.390 1.845 20 10 DDCDMO CCN1CCN([C@@H]2CC[N@H+](Cc3cccc(C)c3O)C2)CC1 ZINC000180068944 521692970 /nfs/dbraw/zinc/69/29/70/521692970.db2.gz ICODWVLAJXKUDB-QGZVFWFLSA-N 1 1 303.450 1.912 20 10 DDCDMO CCN1CCN([C@@H]2CC[N@@H+](Cc3cccc(C)c3O)C2)CC1 ZINC000180068944 521692973 /nfs/dbraw/zinc/69/29/73/521692973.db2.gz ICODWVLAJXKUDB-QGZVFWFLSA-N 1 1 303.450 1.912 20 10 DDCDMO COCC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccccc2O)C1 ZINC000265722317 523864715 /nfs/dbraw/zinc/86/47/15/523864715.db2.gz HDKWBUDKNOOWIR-CQSZACIVSA-N 1 1 307.394 1.254 20 10 DDCDMO COc1ccc(O)c(C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000180259859 524734172 /nfs/dbraw/zinc/73/41/72/524734172.db2.gz HKWTXNKZNMNFQE-MNOVXSKESA-N 1 1 301.408 1.654 20 10 DDCDMO COc1ccc(O)c(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000180259859 524734181 /nfs/dbraw/zinc/73/41/81/524734181.db2.gz HKWTXNKZNMNFQE-MNOVXSKESA-N 1 1 301.408 1.654 20 10 DDCDMO CCN(CC)c1ccc(C[NH2+]Cc2cc(C(N)=O)no2)cc1 ZINC000273376071 535686385 /nfs/dbraw/zinc/68/63/85/535686385.db2.gz GVTRGJLEKCEXLS-UHFFFAOYSA-N 1 1 302.378 1.910 20 10 DDCDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000272284753 536889502 /nfs/dbraw/zinc/88/95/02/536889502.db2.gz NHQPUZYHKCPMDN-OLZOCXBDSA-N 1 1 324.396 1.894 20 10 DDCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C(=O)[O-] ZINC000833629009 605246713 /nfs/dbraw/zinc/24/67/13/605246713.db2.gz DELLMHXGALLOCT-WMLDXEAASA-N 1 1 317.433 1.591 20 10 DDCDMO CC[N@@H+](CC(=O)NC)Cc1cc(Br)ccc1O ZINC000076118509 696426289 /nfs/dbraw/zinc/42/62/89/696426289.db2.gz TWMDKBVJMBNJPE-UHFFFAOYSA-N 1 1 301.184 1.723 20 10 DDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C(C)C)C1CC1)cc2=O ZINC000076902764 696434334 /nfs/dbraw/zinc/43/43/34/696434334.db2.gz BUTUIZQVANMXJB-UHFFFAOYSA-N 1 1 318.377 1.984 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)CS(C)(=O)=O)c1 ZINC000093384995 696600599 /nfs/dbraw/zinc/60/05/99/696600599.db2.gz TUMUQZFCPIMUMU-LLVKDONJSA-N 1 1 301.408 1.656 20 10 DDCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)c1 ZINC000093384995 696600600 /nfs/dbraw/zinc/60/06/00/696600600.db2.gz TUMUQZFCPIMUMU-LLVKDONJSA-N 1 1 301.408 1.656 20 10 DDCDMO c1cc(N2CCOCC2)ccc1C[NH+]1CCN(C2CC2)CC1 ZINC000127908641 696775055 /nfs/dbraw/zinc/77/50/55/696775055.db2.gz YPWOVMZKRYOKRZ-UHFFFAOYSA-N 1 1 301.434 1.803 20 10 DDCDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160468115 697317747 /nfs/dbraw/zinc/31/77/47/697317747.db2.gz GXXHYZHGLRDLOT-HNNXBMFYSA-N 1 1 324.446 1.395 20 10 DDCDMO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1nnnn1C1CC1 ZINC000191821076 697614561 /nfs/dbraw/zinc/61/45/61/697614561.db2.gz OAZMNHMLMBTAPM-MRVPVSSYSA-N 1 1 303.322 1.293 20 10 DDCDMO CCN(C)c1ccc(C[N@@H+](CCO)CCN2CCOCC2)cc1 ZINC000773752390 697801368 /nfs/dbraw/zinc/80/13/68/697801368.db2.gz ACWOYHCBNHDHPX-UHFFFAOYSA-N 1 1 321.465 1.269 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1OC ZINC000775668259 698021134 /nfs/dbraw/zinc/02/11/34/698021134.db2.gz VKGVIEOLRZKYCE-GFCCVEGCSA-N 1 1 306.362 1.216 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1OC ZINC000775668259 698021136 /nfs/dbraw/zinc/02/11/36/698021136.db2.gz VKGVIEOLRZKYCE-GFCCVEGCSA-N 1 1 306.362 1.216 20 10 DDCDMO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1O ZINC000249596381 698395212 /nfs/dbraw/zinc/39/52/12/698395212.db2.gz WYMDAKJIQVITSO-XJKSGUPXSA-N 1 1 305.422 1.072 20 10 DDCDMO COc1cc(O)c(C[N@@H+](C)CCNC(=O)N(C)C)cc1OC ZINC000779431643 698422976 /nfs/dbraw/zinc/42/29/76/698422976.db2.gz AMTUDHBYOBXYLI-UHFFFAOYSA-N 1 1 311.382 1.112 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+]1CCc3ncsc3C1)[C@@H](O)CO2 ZINC000783544298 698849984 /nfs/dbraw/zinc/84/99/84/698849984.db2.gz XONPTFGWNQGQKZ-ZDUSSCGKSA-N 1 1 304.371 1.833 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCc3ncsc3C1)[C@@H](O)CO2 ZINC000783544298 698849989 /nfs/dbraw/zinc/84/99/89/698849989.db2.gz XONPTFGWNQGQKZ-ZDUSSCGKSA-N 1 1 304.371 1.833 20 10 DDCDMO CO[C@@](C)(CO)C[NH2+]Cc1cccc(Br)c1O ZINC000702532425 699230681 /nfs/dbraw/zinc/23/06/81/699230681.db2.gz QRJDXJZRKQBJEP-GFCCVEGCSA-N 1 1 304.184 1.642 20 10 DDCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c1O ZINC000790454630 699461374 /nfs/dbraw/zinc/46/13/74/699461374.db2.gz RCSAZOIFSSLDRA-AWEZNQCLSA-N 1 1 304.390 1.906 20 10 DDCDMO COc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC000792990233 699726982 /nfs/dbraw/zinc/72/69/82/699726982.db2.gz SEGJHGGITVOUGD-LBPRGKRZSA-N 1 1 307.394 1.542 20 10 DDCDMO C[C@@H]1CC[N@@H+](CCNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000744452744 699949750 /nfs/dbraw/zinc/94/97/50/699949750.db2.gz PHDUQBUEXAFOMV-CQSZACIVSA-N 1 1 304.438 1.894 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCN2CCOC[C@@H]2C)c1 ZINC000756537481 700626299 /nfs/dbraw/zinc/62/62/99/700626299.db2.gz ZQRVUZQQRMGPBR-QWHCGFSZSA-N 1 1 322.405 1.550 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c1 ZINC000756547316 700627017 /nfs/dbraw/zinc/62/70/17/700627017.db2.gz ZAXRVCLZUZZGHT-STQMWFEESA-N 1 1 322.405 1.550 20 10 DDCDMO COC(=O)[C@H](C)C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CC1 ZINC000768450254 701178024 /nfs/dbraw/zinc/17/80/24/701178024.db2.gz JHTHVPHGLPAHIP-MEBBXXQBSA-N 1 1 321.373 1.592 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](N3CC=CC3)C1)[C@@H](O)CO2 ZINC000768465379 701180445 /nfs/dbraw/zinc/18/04/45/701180445.db2.gz HROUNSAJHHEOJX-BBRMVZONSA-N 1 1 302.374 1.264 20 10 DDCDMO Oc1cc2c(cc1CN1CC[C@H]([NH+]3CC=CC3)C1)[C@@H](O)CO2 ZINC000768465379 701180447 /nfs/dbraw/zinc/18/04/47/701180447.db2.gz HROUNSAJHHEOJX-BBRMVZONSA-N 1 1 302.374 1.264 20 10 DDCDMO CCOc1cccc(C[NH+]2CCN(CCCCO)CC2)c1O ZINC000769393991 701243454 /nfs/dbraw/zinc/24/34/54/701243454.db2.gz GWYNBEDNIXWCON-UHFFFAOYSA-N 1 1 308.422 1.681 20 10 DDCDMO CCOc1cccc(C[NH+]2CCN(C(C)(C)CO)CC2)c1O ZINC000769446744 701245173 /nfs/dbraw/zinc/24/51/73/701245173.db2.gz UCBQHXSMSUOEHA-UHFFFAOYSA-N 1 1 308.422 1.679 20 10 DDCDMO COCC[C@@H](COC)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000811516958 701996877 /nfs/dbraw/zinc/99/68/77/701996877.db2.gz DGTDJNJAGHUJSB-NSHDSACASA-N 1 1 314.338 1.450 20 10 DDCDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868371809 702093623 /nfs/dbraw/zinc/09/36/23/702093623.db2.gz HIKBKFBGMXUMRH-KBPBESRZSA-N 1 1 320.437 1.388 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[NH2+]CCCN1CCN(C)CC1 ZINC000840936323 702286365 /nfs/dbraw/zinc/28/63/65/702286365.db2.gz JKHBFXAJCYSDKI-UHFFFAOYSA-N 1 1 304.482 1.788 20 10 DDCDMO C[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000841007478 702308374 /nfs/dbraw/zinc/30/83/74/702308374.db2.gz OGGAHFKKCDPRNG-QWHCGFSZSA-N 1 1 318.421 1.444 20 10 DDCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc3c(c2)nnn3C)cc1 ZINC000841044123 702320889 /nfs/dbraw/zinc/32/08/89/702320889.db2.gz TWQKCLUTRBCZPS-INIZCTEOSA-N 1 1 324.432 1.824 20 10 DDCDMO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000817413524 702373975 /nfs/dbraw/zinc/37/39/75/702373975.db2.gz YRYSLKUDHKGTRK-WMZOPIPTSA-N 1 1 317.477 1.889 20 10 DDCDMO C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000817413524 702373983 /nfs/dbraw/zinc/37/39/83/702373983.db2.gz YRYSLKUDHKGTRK-WMZOPIPTSA-N 1 1 317.477 1.889 20 10 DDCDMO C[C@H]1CCNC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817895115 702511466 /nfs/dbraw/zinc/51/14/66/702511466.db2.gz QMMABYLMMZPKKH-HNAYVOBHSA-N 1 1 317.477 1.983 20 10 DDCDMO CC[C@@H]([NH2+]CC(=O)N1CCNCC1)c1ccc(N(C)C)cc1 ZINC000817946293 702533588 /nfs/dbraw/zinc/53/35/88/702533588.db2.gz VHMZTFAWKXLEEE-MRXNPFEDSA-N 1 1 304.438 1.225 20 10 DDCDMO C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccc(N)cc2)CC[N@H+]1C ZINC000841955072 702634668 /nfs/dbraw/zinc/63/46/68/702634668.db2.gz UJQCODDGYJBURW-BBRMVZONSA-N 1 1 304.438 1.935 20 10 DDCDMO COC(=O)CCC[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463298 706686249 /nfs/dbraw/zinc/68/62/49/706686249.db2.gz UULJXWRNUAVYTK-UHFFFAOYSA-N 1 1 322.405 1.779 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](Nc3ncccn3)C1)OCO2 ZINC000842614770 702742213 /nfs/dbraw/zinc/74/22/13/702742213.db2.gz FHUKOSOLPNRKOI-LBPRGKRZSA-N 1 1 314.345 1.597 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC000843065212 702812031 /nfs/dbraw/zinc/81/20/31/702812031.db2.gz KIILLRMKHYMQMX-KRWDZBQOSA-N 1 1 316.449 1.149 20 10 DDCDMO COc1c([O-])c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000843119760 702823496 /nfs/dbraw/zinc/82/34/96/702823496.db2.gz IQAZNMFFNBXVQF-UHFFFAOYSA-N 1 1 321.377 1.885 20 10 DDCDMO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000866457129 706702784 /nfs/dbraw/zinc/70/27/84/706702784.db2.gz JHOMZRJWLCSWIV-QMMMGPOBSA-N 1 1 308.350 1.260 20 10 DDCDMO COc1cccc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c1O ZINC000843414869 702876739 /nfs/dbraw/zinc/87/67/39/702876739.db2.gz DEIUJBSZSCXBJG-ZDUSSCGKSA-N 1 1 300.362 1.877 20 10 DDCDMO COc1ccc(N2CC[NH+](C[C@@H]3CCC(=O)N3)CC2)cc1F ZINC000844304441 703009065 /nfs/dbraw/zinc/00/90/65/703009065.db2.gz DXXNHMVTADSNBO-LBPRGKRZSA-N 1 1 307.369 1.235 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@]2(O)CCOC2)c1 ZINC000846192793 703249207 /nfs/dbraw/zinc/24/92/07/703249207.db2.gz JQAXWRKUJVBVPE-BZNIZROVSA-N 1 1 309.362 1.371 20 10 DDCDMO CCN1CCN(c2ccc(CNC(=O)[C@H](C)[NH2+]C)cc2F)CC1 ZINC000848415614 703548020 /nfs/dbraw/zinc/54/80/20/703548020.db2.gz OUURHKZDWFVNFO-ZDUSSCGKSA-N 1 1 322.428 1.192 20 10 DDCDMO CCc1cccc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c1O ZINC000848894015 703599353 /nfs/dbraw/zinc/59/93/53/703599353.db2.gz BKTAYNCRHMGGJL-MRXNPFEDSA-N 1 1 319.449 1.632 20 10 DDCDMO CCc1cccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1O ZINC000848902928 703600779 /nfs/dbraw/zinc/60/07/79/703600779.db2.gz KGHJLQFYAMLHSS-HNNXBMFYSA-N 1 1 303.406 1.991 20 10 DDCDMO CN(C)c1ccc(/C=C/CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000848926090 703604290 /nfs/dbraw/zinc/60/42/90/703604290.db2.gz 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CCOc1ccc(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)c(O)c1 ZINC001237047163 889478083 /nfs/dbraw/zinc/47/80/83/889478083.db2.gz SZBJZNVFDYWOCM-OAHLLOKOSA-N 1 1 317.389 1.754 20 10 DDCDMO CCOc1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C(=O)OC)C2)c(O)c1 ZINC001237050123 889480915 /nfs/dbraw/zinc/48/09/15/889480915.db2.gz PUDFZNNTWDJTOC-GUYCJALGSA-N 1 1 321.373 1.412 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)CC(C)(C)O)cc1 ZINC000173755775 282289232 /nfs/dbraw/zinc/28/92/32/282289232.db2.gz AMGMLHAHVVRZLC-UHFFFAOYSA-N 1 1 307.438 1.414 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCC[N@H+]2C)cc1 ZINC000139401713 354127439 /nfs/dbraw/zinc/12/74/39/354127439.db2.gz OUXQSLSJABWOQM-MRXNPFEDSA-N 1 1 304.438 1.988 20 10 DDCDMO Cc1ccc(O)c(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000091963978 193132385 /nfs/dbraw/zinc/13/23/85/193132385.db2.gz WUCHVSHZNMVZFN-UHFFFAOYSA-N 1 1 312.435 1.556 20 10 DDCDMO COc1cccc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000093392744 193242851 /nfs/dbraw/zinc/24/28/51/193242851.db2.gz AWHQSRWMQUWWBP-NSHDSACASA-N 1 1 313.419 1.798 20 10 DDCDMO COc1cccc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000093392744 193242853 /nfs/dbraw/zinc/24/28/53/193242853.db2.gz AWHQSRWMQUWWBP-NSHDSACASA-N 1 1 313.419 1.798 20 10 DDCDMO COC(=O)[C@]12C[N@@H+](Cc3cccc(OC)c3O)C[C@H]1COCC2 ZINC000369540400 131024637 /nfs/dbraw/zinc/02/46/37/131024637.db2.gz IZUNBTJIEIFYSI-SUMWQHHRSA-N 1 1 321.373 1.412 20 10 DDCDMO CC[NH+]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000299395080 132103052 /nfs/dbraw/zinc/10/30/52/132103052.db2.gz ACMZBBGMOKEMLN-UHFFFAOYSA-N 1 1 308.401 1.739 20 10 DDCDMO NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000271351999 407648762 /nfs/dbraw/zinc/64/87/62/407648762.db2.gz PUXHWAHGYNJBLP-HNNXBMFYSA-N 1 1 302.422 1.920 20 10 DDCDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(O)c2O)cn1 ZINC000186987366 407810247 /nfs/dbraw/zinc/81/02/47/407810247.db2.gz PEELNCNXCJOBIJ-UHFFFAOYSA-N 1 1 324.340 1.917 20 10 DDCDMO COc1cccc(CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1O ZINC000174739050 407986716 /nfs/dbraw/zinc/98/67/16/407986716.db2.gz BKSPMWNAXBRJGO-LLVKDONJSA-N 1 1 307.394 1.683 20 10 DDCDMO NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000154989165 408110882 /nfs/dbraw/zinc/11/08/82/408110882.db2.gz XBSYYLZUIIDJJJ-VIFPVBQESA-N 1 1 313.195 1.852 20 10 DDCDMO COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273297517 408144673 /nfs/dbraw/zinc/14/46/73/408144673.db2.gz ALZTVDCAJPDARN-CYBMUJFWSA-N 1 1 324.421 1.798 20 10 DDCDMO COC(=O)CN1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000121382900 408195542 /nfs/dbraw/zinc/19/55/42/408195542.db2.gz BCHSNGKGTFSGMR-UHFFFAOYSA-N 1 1 323.412 1.572 20 10 DDCDMO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c1 ZINC000185343879 408797830 /nfs/dbraw/zinc/79/78/30/408797830.db2.gz ONCYAMLRDRDINZ-GJZGRUSLSA-N 1 1 321.465 1.935 20 10 DDCDMO Cc1cc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)ccc1N(C)C ZINC000292979978 409047509 /nfs/dbraw/zinc/04/75/09/409047509.db2.gz FFOGDYRYIKCBJM-AWEZNQCLSA-N 1 1 311.451 1.185 20 10 DDCDMO CC(C)(C)n1ncnc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000282839886 409065117 /nfs/dbraw/zinc/06/51/17/409065117.db2.gz ZYYKGIQOJYJPPD-UHFFFAOYSA-N 1 1 305.338 1.937 20 10 DDCDMO COC[C@](C)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278548864 409085377 /nfs/dbraw/zinc/08/53/77/409085377.db2.gz YSZXTDRGYUBYFR-AWEZNQCLSA-N 1 1 314.338 1.186 20 10 DDCDMO Cc1cccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1O ZINC000279441900 409215350 /nfs/dbraw/zinc/21/53/50/409215350.db2.gz PJIOSACIMFQCSN-OAHLLOKOSA-N 1 1 324.446 1.701 20 10 DDCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C)CN2CCOCC2)c1O ZINC000279808686 409247522 /nfs/dbraw/zinc/24/75/22/409247522.db2.gz XINWKFXUVVVUAB-GFCCVEGCSA-N 1 1 324.396 1.886 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@](C)(O)CC2)cc1 ZINC000280096593 409256424 /nfs/dbraw/zinc/25/64/24/409256424.db2.gz OUMYJJXWAXGLKK-SFHVURJKSA-N 1 1 319.449 1.606 20 10 DDCDMO OC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1CCOC1 ZINC000294823163 409303130 /nfs/dbraw/zinc/30/31/30/409303130.db2.gz XRLIKBFJUGJGDE-GXSJLCMTSA-N 1 1 303.761 1.919 20 10 DDCDMO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000290155232 409310816 /nfs/dbraw/zinc/31/08/16/409310816.db2.gz LLRWNDMPEDTODF-GFCCVEGCSA-N 1 1 322.361 1.831 20 10 DDCDMO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000367108177 418560588 /nfs/dbraw/zinc/56/05/88/418560588.db2.gz DCWWXLYGWDOPAK-ZIAGYGMSSA-N 1 1 304.390 1.631 20 10 DDCDMO CN1CCc2cc(CNC(=O)N3CC[N@H+]4CCC[C@H]4C3)ccc21 ZINC000372452949 418871517 /nfs/dbraw/zinc/87/15/17/418871517.db2.gz FOZCCDISHWCMOC-INIZCTEOSA-N 1 1 314.433 1.669 20 10 DDCDMO Cc1ccc(C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)c(O)c1O ZINC000372558117 418883924 /nfs/dbraw/zinc/88/39/24/418883924.db2.gz RFCDCDUUDZQRMH-UHFFFAOYSA-N 1 1 322.405 1.325 20 10 DDCDMO COc1c(O)c(C[N@H+]2CC[C@@H](n3cccn3)C2)ccc1[N+](=O)[O-] ZINC000365830462 418913618 /nfs/dbraw/zinc/91/36/18/418913618.db2.gz HDBVKUFNSGIKQW-GFCCVEGCSA-N 1 1 318.333 1.953 20 10 DDCDMO CCOc1cccc(C[N@H+](C)CC(=O)N2CCOCC2)c1O ZINC000162346344 276379595 /nfs/dbraw/zinc/37/95/95/276379595.db2.gz PKDJWEVBYNWYOD-UHFFFAOYSA-N 1 1 308.378 1.082 20 10 DDCDMO CCOc1cccc(C[N@@H+](C)CC(=O)N2CCOCC2)c1O ZINC000162346344 276379599 /nfs/dbraw/zinc/37/95/99/276379599.db2.gz PKDJWEVBYNWYOD-UHFFFAOYSA-N 1 1 308.378 1.082 20 10 DDCDMO COc1ccc(O)c(C[NH+]2CCC(CN3CCOCC3)CC2)c1 ZINC000179684911 337171102 /nfs/dbraw/zinc/17/11/02/337171102.db2.gz BDVIFIOURAVTAC-UHFFFAOYSA-N 1 1 320.433 1.945 20 10 DDCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)cc1C ZINC000365111673 525315556 /nfs/dbraw/zinc/31/55/56/525315556.db2.gz RKPBYOYWZJDOCM-GFCCVEGCSA-N 1 1 316.361 1.828 20 10 DDCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)cc1C ZINC000365111673 525315559 /nfs/dbraw/zinc/31/55/59/525315559.db2.gz RKPBYOYWZJDOCM-GFCCVEGCSA-N 1 1 316.361 1.828 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000273433970 536793443 /nfs/dbraw/zinc/79/34/43/536793443.db2.gz WOGDIDSLKMMNGS-WRWORJQWSA-N 1 1 307.268 1.753 20 10 DDCDMO C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000820625933 598182407 /nfs/dbraw/zinc/18/24/07/598182407.db2.gz CTYOEUWEIXJUJA-HNNXBMFYSA-N 1 1 303.406 1.345 20 10 DDCDMO CC[N@@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000045770849 696177071 /nfs/dbraw/zinc/17/70/71/696177071.db2.gz GKCSUAJZKJQULW-UHFFFAOYSA-N 1 1 317.433 1.828 20 10 DDCDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000050900058 696234990 /nfs/dbraw/zinc/23/49/90/696234990.db2.gz LDFXXRYQYDYZGR-LBPRGKRZSA-N 1 1 320.389 1.859 20 10 DDCDMO CCN(CCC[NH2+][C@H](C)c1ccc(F)cc1O)S(C)(=O)=O ZINC000062747853 696325676 /nfs/dbraw/zinc/32/56/76/696325676.db2.gz SDKRSTJNYBTQLS-LLVKDONJSA-N 1 1 318.414 1.854 20 10 DDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@H](C)CC)cc2=O ZINC000068451170 696372817 /nfs/dbraw/zinc/37/28/17/696372817.db2.gz OXNJOBMUJJXUOX-SNVBAGLBSA-N 1 1 306.366 1.842 20 10 DDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@@H](C)CC)cc2=O ZINC000068451172 696372943 /nfs/dbraw/zinc/37/29/43/696372943.db2.gz OXNJOBMUJJXUOX-JTQLQIEISA-N 1 1 306.366 1.842 20 10 DDCDMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000092588613 696595866 /nfs/dbraw/zinc/59/58/66/696595866.db2.gz SCHCUEGKSGJDTA-KRWDZBQOSA-N 1 1 317.433 1.753 20 10 DDCDMO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093054908 696598909 /nfs/dbraw/zinc/59/89/09/696598909.db2.gz CDWSGDSFXAKBPX-KRWDZBQOSA-N 1 1 317.433 1.480 20 10 DDCDMO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093054908 696598911 /nfs/dbraw/zinc/59/89/11/696598911.db2.gz CDWSGDSFXAKBPX-KRWDZBQOSA-N 1 1 317.433 1.480 20 10 DDCDMO COCCN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000120891015 696703276 /nfs/dbraw/zinc/70/32/76/696703276.db2.gz KDCMNJBMTORMGJ-UHFFFAOYSA-N 1 1 319.449 1.287 20 10 DDCDMO C[C@H]([NH2+]Cc1ncnn1C)c1ccc(N2CCOCC2)cc1 ZINC000152918425 696907317 /nfs/dbraw/zinc/90/73/17/696907317.db2.gz KDOAMEPHUBMWNG-ZDUSSCGKSA-N 1 1 301.394 1.503 20 10 DDCDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000155036418 696941924 /nfs/dbraw/zinc/94/19/24/696941924.db2.gz ZYMWHTGPFOUUBT-OAHLLOKOSA-N 1 1 303.406 1.221 20 10 DDCDMO COCC[N@@H+]1[C@H](C)CN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000155267095 696945380 /nfs/dbraw/zinc/94/53/80/696945380.db2.gz RBBGMAXJFOTZKP-BETUJISGSA-N 1 1 322.405 1.662 20 10 DDCDMO COCCN1[C@H](C)C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000155267095 696945383 /nfs/dbraw/zinc/94/53/83/696945383.db2.gz RBBGMAXJFOTZKP-BETUJISGSA-N 1 1 322.405 1.662 20 10 DDCDMO COCCN1[C@H](C)C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000155267095 696945385 /nfs/dbraw/zinc/94/53/85/696945385.db2.gz RBBGMAXJFOTZKP-BETUJISGSA-N 1 1 322.405 1.662 20 10 DDCDMO CCN(C)c1ccc(C[N@H+](CCOC)CC(=O)N(C)C)cc1 ZINC000773730165 697797972 /nfs/dbraw/zinc/79/79/72/697797972.db2.gz KRBDBMWRRHPENQ-UHFFFAOYSA-N 1 1 307.438 1.679 20 10 DDCDMO CCN(C)c1ccc(C[N@@H+](CCOC)CC(=O)N(C)C)cc1 ZINC000773730165 697797978 /nfs/dbraw/zinc/79/79/78/697797978.db2.gz KRBDBMWRRHPENQ-UHFFFAOYSA-N 1 1 307.438 1.679 20 10 DDCDMO C[C@@H]([NH2+]Cc1cccc(Br)c1O)C(=O)NCCF ZINC000800292387 700213063 /nfs/dbraw/zinc/21/30/63/700213063.db2.gz PKWMBAPFKNKOGS-MRVPVSSYSA-N 1 1 319.174 1.719 20 10 DDCDMO Oc1c(F)cc(Br)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000715765266 699276908 /nfs/dbraw/zinc/27/69/08/699276908.db2.gz FCNFCSBFNARNHK-NXEZZACHSA-N 1 1 315.186 1.945 20 10 DDCDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC000793045646 699730480 /nfs/dbraw/zinc/73/04/80/699730480.db2.gz SJWUMPNVWVITDR-CYBMUJFWSA-N 1 1 307.394 1.684 20 10 DDCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)N2CCNC2=O)cc1 ZINC000741678166 699847275 /nfs/dbraw/zinc/84/72/75/699847275.db2.gz KSGPXGHRNQZXHJ-UHFFFAOYSA-N 1 1 318.421 1.516 20 10 DDCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3C[C@@H]3C)CC2)cc1 ZINC000742917147 699894351 /nfs/dbraw/zinc/89/43/51/699894351.db2.gz ROYIHIVVIQXFAW-YOEHRIQHSA-N 1 1 317.433 1.589 20 10 DDCDMO C/C=C(\C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000751360048 700282191 /nfs/dbraw/zinc/28/21/91/700282191.db2.gz CFAYBVBQBYTUSH-SYZQJQIISA-N 1 1 317.433 1.900 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1 ZINC000756570672 700629914 /nfs/dbraw/zinc/62/99/14/700629914.db2.gz XGITYDMDFKLDPF-JSGCOSHPSA-N 1 1 321.421 1.075 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1)[C@H](O)CO2 ZINC000762184940 700884098 /nfs/dbraw/zinc/88/40/98/700884098.db2.gz PFZCSJATXGORRM-DGCLKSJQSA-N 1 1 319.279 1.317 20 10 DDCDMO CC(C)[C@@H]1CN(C)CC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444607 701177460 /nfs/dbraw/zinc/17/74/60/701177460.db2.gz ASLDETHFGMDFPE-GOEBONIOSA-N 1 1 306.406 1.590 20 10 DDCDMO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444607 701177462 /nfs/dbraw/zinc/17/74/62/701177462.db2.gz ASLDETHFGMDFPE-GOEBONIOSA-N 1 1 306.406 1.590 20 10 DDCDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444607 701177466 /nfs/dbraw/zinc/17/74/66/701177466.db2.gz ASLDETHFGMDFPE-GOEBONIOSA-N 1 1 306.406 1.590 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](N3CCCCC3)C1)[C@@H](O)CO2 ZINC000768451103 701178319 /nfs/dbraw/zinc/17/83/19/701178319.db2.gz MASLFGORKCUQCW-PBHICJAKSA-N 1 1 318.417 1.878 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](N3CCCCC3)C1)[C@@H](O)CO2 ZINC000768451103 701178321 /nfs/dbraw/zinc/17/83/21/701178321.db2.gz MASLFGORKCUQCW-PBHICJAKSA-N 1 1 318.417 1.878 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H]1C ZINC000768463420 701179586 /nfs/dbraw/zinc/17/95/86/701179586.db2.gz ILWAMMFSPWZHCB-IUPBHXKESA-N 1 1 307.346 1.059 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]3COCC[C@@H]31)[C@H](O)CO2 ZINC000768463669 701179602 /nfs/dbraw/zinc/17/96/02/701179602.db2.gz LDXMEBZLTBXZDR-DIOULYMOSA-N 1 1 305.374 1.819 20 10 DDCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)OCCO)C1 ZINC000769664176 701251320 /nfs/dbraw/zinc/25/13/20/701251320.db2.gz ZEZXJWJWYSVQIF-UHFFFAOYSA-N 1 1 316.401 1.943 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)c(O)cc1C ZINC000840106772 701971431 /nfs/dbraw/zinc/97/14/31/701971431.db2.gz KPWJJNZTPNKWFK-ZDUSSCGKSA-N 1 1 308.378 1.982 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000840916721 702278391 /nfs/dbraw/zinc/27/83/91/702278391.db2.gz DNNKWMFVUPTDDP-CQSZACIVSA-N 1 1 310.463 1.928 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000840917981 702278711 /nfs/dbraw/zinc/27/87/11/702278711.db2.gz XOAYWWNQHNSXIB-CQSZACIVSA-N 1 1 305.422 1.086 20 10 DDCDMO COC(=O)[C@H]1CN(C)CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000840957213 702293965 /nfs/dbraw/zinc/29/39/65/702293965.db2.gz JTKTUINMJWLKDZ-HNNXBMFYSA-N 1 1 306.406 1.546 20 10 DDCDMO Cc1nn(C)c(C)c1C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841042880 702320650 /nfs/dbraw/zinc/32/06/50/702320650.db2.gz MLWNAIPVYWDKKF-KRWDZBQOSA-N 1 1 301.438 1.893 20 10 DDCDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(N)cc3)CC[C@H]21 ZINC000841071595 702336111 /nfs/dbraw/zinc/33/61/11/702336111.db2.gz QLNLWPNMFFBPEV-SWLSCSKDSA-N 1 1 316.405 1.150 20 10 DDCDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000817415336 702374420 /nfs/dbraw/zinc/37/44/20/702374420.db2.gz RFRVOJIODVLONJ-QGZVFWFLSA-N 1 1 316.449 1.149 20 10 DDCDMO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000817415336 702374427 /nfs/dbraw/zinc/37/44/27/702374427.db2.gz RFRVOJIODVLONJ-QGZVFWFLSA-N 1 1 316.449 1.149 20 10 DDCDMO Nc1ccc(CCNC(=O)NCC[NH+]2CCSCC2)cc1 ZINC000841811998 702570581 /nfs/dbraw/zinc/57/05/81/702570581.db2.gz RGFFSGGVAVMFCQ-UHFFFAOYSA-N 1 1 308.451 1.159 20 10 DDCDMO CC(C)[N@H+]1CCCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841957313 702635599 /nfs/dbraw/zinc/63/55/99/702635599.db2.gz RUNYOYPPWWJNRU-UHFFFAOYSA-N 1 1 304.438 1.937 20 10 DDCDMO C[N@H+]1CCC[C@H]2CN(C(=O)NCCc3ccc(N)cc3)CC[C@H]21 ZINC000841960837 702636622 /nfs/dbraw/zinc/63/66/22/702636622.db2.gz XXFNONPIAWCTJO-DOTOQJQBSA-N 1 1 316.449 1.937 20 10 DDCDMO COc1ccc(N2CC[NH+](C[C@@H]3CCC(=O)N3)CC2)c(OC)c1 ZINC000879463288 706686509 /nfs/dbraw/zinc/68/65/09/706686509.db2.gz UKOIDLXLCOHSEJ-ZDUSSCGKSA-N 1 1 319.405 1.104 20 10 DDCDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000843433930 702880947 /nfs/dbraw/zinc/88/09/47/702880947.db2.gz MZMMDZWGUPYUCI-LSDHHAIUSA-N 1 1 315.369 1.901 20 10 DDCDMO CCn1nncc1C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844402745 703026717 /nfs/dbraw/zinc/02/67/17/703026717.db2.gz VDHCDXQMXAWTMV-UHFFFAOYSA-N 1 1 303.410 1.875 20 10 DDCDMO CCn1nncc1C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844402745 703026719 /nfs/dbraw/zinc/02/67/19/703026719.db2.gz VDHCDXQMXAWTMV-UHFFFAOYSA-N 1 1 303.410 1.875 20 10 DDCDMO C[C@@H](CCO)[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844448144 703032925 /nfs/dbraw/zinc/03/29/25/703032925.db2.gz UYCVIFADTQRARI-AWEZNQCLSA-N 1 1 307.438 1.414 20 10 DDCDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ncnn21 ZINC000850352399 703726481 /nfs/dbraw/zinc/72/64/81/703726481.db2.gz URNBQLXYCYHSHB-BBRMVZONSA-N 1 1 313.405 1.910 20 10 DDCDMO COc1ccc(N2CCC[N@@H+](C[C@H]3CNCCO3)CC2)cc1 ZINC000852746577 704112576 /nfs/dbraw/zinc/11/25/76/704112576.db2.gz ONQMJTZRBJHUHC-QGZVFWFLSA-N 1 1 305.422 1.196 20 10 DDCDMO COc1ccc(N2CCCN(C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000852746577 704112580 /nfs/dbraw/zinc/11/25/80/704112580.db2.gz ONQMJTZRBJHUHC-QGZVFWFLSA-N 1 1 305.422 1.196 20 10 DDCDMO C[NH+]1CCN(C[C@H](O)CNc2ccccc2OCCF)CC1 ZINC000819489705 704133086 /nfs/dbraw/zinc/13/30/86/704133086.db2.gz WAGGNSPYUXYMJF-CQSZACIVSA-N 1 1 311.401 1.055 20 10 DDCDMO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000853541133 704264004 /nfs/dbraw/zinc/26/40/04/704264004.db2.gz OKJAKYKFRCQHHU-OAHLLOKOSA-N 1 1 302.374 1.907 20 10 DDCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1CO ZINC000857062129 704549251 /nfs/dbraw/zinc/54/92/51/704549251.db2.gz YIHYJSDFRYGOLW-WBVHZDCISA-N 1 1 304.434 1.974 20 10 DDCDMO Cc1c[nH+]cn1CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000858723829 704748680 /nfs/dbraw/zinc/74/86/80/704748680.db2.gz CRSUPWWACGQQRN-UHFFFAOYSA-N 1 1 314.389 1.345 20 10 DDCDMO Cc1cc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)ccc1N(C)C ZINC000859832032 705015368 /nfs/dbraw/zinc/01/53/68/705015368.db2.gz FKKMMUXPMQZXTK-HDICACEKSA-N 1 1 306.450 1.874 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)C[C@H]2C[C@@H](O)C2)cc1 ZINC000859965868 705056823 /nfs/dbraw/zinc/05/68/23/705056823.db2.gz JDWVRSISIIUSGO-WOVMCDHWSA-N 1 1 319.449 1.414 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CC[C@H](CCCO)C2)ccc1[N+](=O)[O-] ZINC000825338363 705649090 /nfs/dbraw/zinc/64/90/90/705649090.db2.gz OYYCANMMROKCTB-NSHDSACASA-N 1 1 310.350 1.903 20 10 DDCDMO COc1c(O)c(C[N@H+]2CC[C@H](CCCO)C2)ccc1[N+](=O)[O-] ZINC000825338363 705649093 /nfs/dbraw/zinc/64/90/93/705649093.db2.gz OYYCANMMROKCTB-NSHDSACASA-N 1 1 310.350 1.903 20 10 DDCDMO Cc1ccc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(O)c1 ZINC000876789396 705877589 /nfs/dbraw/zinc/87/75/89/705877589.db2.gz ACAUGGUXQRXYDY-MRXNPFEDSA-N 1 1 317.433 1.439 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCC[C@@](CO)(OC)C2)cc1OC ZINC000826953004 705898187 /nfs/dbraw/zinc/89/81/87/705898187.db2.gz ZGAHEVXHEINJLT-MRXNPFEDSA-N 1 1 311.378 1.383 20 10 DDCDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877596356 706153994 /nfs/dbraw/zinc/15/39/94/706153994.db2.gz QNLBFKNWLHERRX-KDOFPFPSSA-N 1 1 304.434 1.993 20 10 DDCDMO O=S1(=O)C[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CC[C@@H]2C1 ZINC000877791652 706216326 /nfs/dbraw/zinc/21/63/26/706216326.db2.gz KBZPEJOGDICEIU-ZYHUDNBSSA-N 1 1 315.822 1.912 20 10 DDCDMO O=S1(=O)C[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CC[C@@H]2C1 ZINC000877791652 706216327 /nfs/dbraw/zinc/21/63/27/706216327.db2.gz KBZPEJOGDICEIU-ZYHUDNBSSA-N 1 1 315.822 1.912 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CC[C@H](C(C)(C)O)C2)ccc1[N+](=O)[O-] ZINC000877836538 706227479 /nfs/dbraw/zinc/22/74/79/706227479.db2.gz ZRIAOQPCCCGILP-NSHDSACASA-N 1 1 310.350 1.902 20 10 DDCDMO COc1c(O)c(C[N@H+]2CC[C@H](C(C)(C)O)C2)ccc1[N+](=O)[O-] ZINC000877836538 706227482 /nfs/dbraw/zinc/22/74/82/706227482.db2.gz ZRIAOQPCCCGILP-NSHDSACASA-N 1 1 310.350 1.902 20 10 DDCDMO c1c(C[NH2+]Cc2ccc3c(c2)CCO3)nnn1C[C@H]1CCOC1 ZINC000865440263 706431497 /nfs/dbraw/zinc/43/14/97/706431497.db2.gz GTFFNXOQNIKNPX-CQSZACIVSA-N 1 1 314.389 1.539 20 10 DDCDMO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](Cn3ccnn3)C2)cc1 ZINC000878987682 706553750 /nfs/dbraw/zinc/55/37/50/706553750.db2.gz QGVRCAUHEAAZNK-KRWDZBQOSA-N 1 1 315.421 1.635 20 10 DDCDMO CCN(C)c1ccc(C[N@H+]2CCO[C@H](Cn3ccnn3)C2)cc1 ZINC000878987682 706553752 /nfs/dbraw/zinc/55/37/52/706553752.db2.gz QGVRCAUHEAAZNK-KRWDZBQOSA-N 1 1 315.421 1.635 20 10 DDCDMO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2[nH]nc3c2CCC3)cc1 ZINC000832274052 706882586 /nfs/dbraw/zinc/88/25/86/706882586.db2.gz RIUBOYOJZOUUEP-CQSZACIVSA-N 1 1 313.405 1.394 20 10 DDCDMO COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000926853162 712912805 /nfs/dbraw/zinc/91/28/05/712912805.db2.gz CMUOPAYYCJSCCL-KRWDZBQOSA-N 1 1 319.449 1.680 20 10 DDCDMO COCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC(=O)N(C)C ZINC000835025975 707157840 /nfs/dbraw/zinc/15/78/40/707157840.db2.gz PGLIVNLBWLFUJU-SREVYHEPSA-N 1 1 319.449 1.802 20 10 DDCDMO COCC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CC(=O)N(C)C ZINC000835025975 707157845 /nfs/dbraw/zinc/15/78/45/707157845.db2.gz PGLIVNLBWLFUJU-SREVYHEPSA-N 1 1 319.449 1.802 20 10 DDCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000872797497 707605891 /nfs/dbraw/zinc/60/58/91/707605891.db2.gz ZEZPPCAVEKZVOM-HIFRSBDPSA-N 1 1 309.431 1.876 20 10 DDCDMO COc1ccc(C[NH2+]CCCN(C)C)cc1Cn1cccn1 ZINC000873007306 707691964 /nfs/dbraw/zinc/69/19/64/707691964.db2.gz KRZNUMKSCZFSNU-UHFFFAOYSA-N 1 1 302.422 1.981 20 10 DDCDMO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000882996070 707888950 /nfs/dbraw/zinc/88/89/50/707888950.db2.gz ZFJRYYXTVZVJSN-UHFFFAOYSA-N 1 1 307.362 1.973 20 10 DDCDMO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1c(O)cccc1F ZINC000886547504 708776150 /nfs/dbraw/zinc/77/61/50/708776150.db2.gz MHIYGOCALRATKU-GXFFZTMASA-N 1 1 318.352 1.721 20 10 DDCDMO COc1ccc(O)c([C@@H](C)NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)c1 ZINC000901127523 709937370 /nfs/dbraw/zinc/93/73/70/709937370.db2.gz JYWPYESGSQZNHW-SJKOYZFVSA-N 1 1 322.405 1.425 20 10 DDCDMO C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)N(C)C ZINC000891246069 710139871 /nfs/dbraw/zinc/13/98/71/710139871.db2.gz LUZPHQGUCCYOMY-CZUORRHYSA-N 1 1 306.454 1.422 20 10 DDCDMO COc1ccc(C[N@@H+](CCO)Cc2cccnc2)c(O)c1OC ZINC000891934387 710331722 /nfs/dbraw/zinc/33/17/22/710331722.db2.gz GTPKTTPNTFOUIW-UHFFFAOYSA-N 1 1 318.373 1.799 20 10 DDCDMO COc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(O)c1OC ZINC000893646515 710762324 /nfs/dbraw/zinc/76/23/24/710762324.db2.gz VALXRKXVRRZBIJ-MRXNPFEDSA-N 1 1 309.362 1.401 20 10 DDCDMO COc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)c(O)c1OC ZINC000893646515 710762326 /nfs/dbraw/zinc/76/23/26/710762326.db2.gz VALXRKXVRRZBIJ-MRXNPFEDSA-N 1 1 309.362 1.401 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)cc1OC ZINC000902626890 710825694 /nfs/dbraw/zinc/82/56/94/710825694.db2.gz OPEFTBVNBKQXSW-BLLLJJGKSA-N 1 1 309.362 1.399 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)cc1OC ZINC000902626890 710825696 /nfs/dbraw/zinc/82/56/96/710825696.db2.gz OPEFTBVNBKQXSW-BLLLJJGKSA-N 1 1 309.362 1.399 20 10 DDCDMO C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cnnn1C ZINC000903448201 711130316 /nfs/dbraw/zinc/13/03/16/711130316.db2.gz MASFGAYYGHRRGS-DYVFJYSZSA-N 1 1 316.453 1.835 20 10 DDCDMO Cc1nc([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)no1 ZINC000905681759 712116776 /nfs/dbraw/zinc/11/67/76/712116776.db2.gz ISCUTFXXDRJXQL-QMTHXVAHSA-N 1 1 317.345 1.499 20 10 DDCDMO CN1CCN(CCC[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921509669 713793494 /nfs/dbraw/zinc/79/34/94/713793494.db2.gz RFKGWGDWUWMYIF-UHFFFAOYSA-N 1 1 303.450 1.739 20 10 DDCDMO CC[N@@H+]1CCCC[C@@H]1C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001182001819 743429698 /nfs/dbraw/zinc/42/96/98/743429698.db2.gz VQMUDTILUIPRSD-GFCCVEGCSA-N 1 1 306.362 1.271 20 10 DDCDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001182001819 743429700 /nfs/dbraw/zinc/42/97/00/743429700.db2.gz VQMUDTILUIPRSD-GFCCVEGCSA-N 1 1 306.362 1.271 20 10 DDCDMO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001199208617 747742501 /nfs/dbraw/zinc/74/25/01/747742501.db2.gz REJRIKPNLYWVIN-INIZCTEOSA-N 1 1 313.449 1.813 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCC(=O)N(C)C3)cc2)CC1 ZINC001200611772 748306371 /nfs/dbraw/zinc/30/63/71/748306371.db2.gz PRMTXCHBBFZNCE-MRXNPFEDSA-N 1 1 316.449 1.149 20 10 DDCDMO COc1ccc(N2CCC[N@@H+](C[C@@H](O)COC(C)C)CC2)cc1 ZINC000097473417 751276353 /nfs/dbraw/zinc/27/63/53/751276353.db2.gz WVSSOMHVBPIQKI-QGZVFWFLSA-N 1 1 322.449 1.993 20 10 DDCDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc2cccnc2c1O ZINC000828635770 759715222 /nfs/dbraw/zinc/71/52/22/759715222.db2.gz KGBNDAKSHGQMBI-SUMWQHHRSA-N 1 1 315.373 1.012 20 10 DDCDMO CN(c1ccc2[nH+]ccn2c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001174276857 777451629 /nfs/dbraw/zinc/45/16/29/777451629.db2.gz TTXTYCXGWRJGBZ-UHFFFAOYSA-N 1 1 316.386 1.883 20 10 DDCDMO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001120371381 781901563 /nfs/dbraw/zinc/90/15/63/781901563.db2.gz 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CC[NH+]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)CC1 ZINC000364522054 418783831 /nfs/dbraw/zinc/78/38/31/418783831.db2.gz SKNSHCDXSUTBTP-UHFFFAOYSA-N 1 1 302.422 1.526 20 10 DDCDMO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000372434359 418869895 /nfs/dbraw/zinc/86/98/95/418869895.db2.gz AJQRNVTUTJAPGG-LBPRGKRZSA-N 1 1 319.361 1.111 20 10 DDCDMO O=C1NC[C@]2(CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)O1 ZINC000372682113 418891878 /nfs/dbraw/zinc/89/18/78/418891878.db2.gz CODQXYPUGIHFEW-HNNXBMFYSA-N 1 1 306.318 1.195 20 10 DDCDMO COc1cc(Cl)cc(C[N@H+](CC(N)=O)CC(C)C)c1O ZINC000184680826 277378879 /nfs/dbraw/zinc/37/88/79/277378879.db2.gz HMUGCBIFQXCPCP-UHFFFAOYSA-N 1 1 300.786 1.998 20 10 DDCDMO C[N@@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000174620011 490684163 /nfs/dbraw/zinc/68/41/63/490684163.db2.gz LIECRTOWAGSYCG-INIZCTEOSA-N 1 1 303.406 1.234 20 10 DDCDMO C[N@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000174620011 490684169 /nfs/dbraw/zinc/68/41/69/490684169.db2.gz LIECRTOWAGSYCG-INIZCTEOSA-N 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CCOc1cccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c1O ZINC000372740880 418898353 /nfs/dbraw/zinc/89/83/53/418898353.db2.gz NUGMEWKKOQNINV-LBPRGKRZSA-N 1 1 314.407 1.044 20 10 DDCDMO CCOCC[C@@H](O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000373132800 418928981 /nfs/dbraw/zinc/92/89/81/418928981.db2.gz XPADNAHKTMMUJJ-QGZVFWFLSA-N 1 1 322.449 1.995 20 10 DDCDMO CC1(C)C[N@H+](CCNC(=O)/C=C/c2ccc(O)c(O)c2)CCO1 ZINC000181009109 520464375 /nfs/dbraw/zinc/46/43/75/520464375.db2.gz LBPYHFCXXADMSC-GQCTYLIASA-N 1 1 320.389 1.338 20 10 DDCDMO CC1(C)C[N@@H+](CCNC(=O)/C=C/c2ccc(O)c(O)c2)CCO1 ZINC000181009109 520464380 /nfs/dbraw/zinc/46/43/80/520464380.db2.gz LBPYHFCXXADMSC-GQCTYLIASA-N 1 1 320.389 1.338 20 10 DDCDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000156353250 521708538 /nfs/dbraw/zinc/70/85/38/521708538.db2.gz CMAOCTIVXNXGCX-KRWDZBQOSA-N 1 1 318.417 1.608 20 10 DDCDMO CC[N@H+]1CCO[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000156353250 521708540 /nfs/dbraw/zinc/70/85/40/521708540.db2.gz CMAOCTIVXNXGCX-KRWDZBQOSA-N 1 1 318.417 1.608 20 10 DDCDMO Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(O)c1O ZINC000182823551 526128028 /nfs/dbraw/zinc/12/80/28/526128028.db2.gz MPVKXMWEJXWCDX-GXTWGEPZSA-N 1 1 304.390 1.963 20 10 DDCDMO CC(C)NC(=O)CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000076549248 696430509 /nfs/dbraw/zinc/43/05/09/696430509.db2.gz SDGYFEYZZDKELI-UHFFFAOYSA-N 1 1 319.449 1.870 20 10 DDCDMO C[N@@H+](CCCO)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000093412973 696600800 /nfs/dbraw/zinc/60/08/00/696600800.db2.gz GAVBYWVOIVGIDR-UHFFFAOYSA-N 1 1 322.405 1.400 20 10 DDCDMO CCN1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)CC1 ZINC000111235939 696642912 /nfs/dbraw/zinc/64/29/12/696642912.db2.gz QOPBUFABRRWRJD-CQSZACIVSA-N 1 1 305.422 1.377 20 10 DDCDMO C[C@@H]([NH2+]Cc1nncn1C)c1ccc(N2CCOCC2)cc1 ZINC000152284351 696897072 /nfs/dbraw/zinc/89/70/72/696897072.db2.gz IEVQTXIXEULENH-CYBMUJFWSA-N 1 1 301.394 1.503 20 10 DDCDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000799347830 700137951 /nfs/dbraw/zinc/13/79/51/700137951.db2.gz OSCUTNJCODAVJM-RHSMWYFYSA-N 1 1 316.449 1.053 20 10 DDCDMO COc1c(O)c(C[N@H+](C)CCN2CCCC2=O)ccc1[N+](=O)[O-] ZINC000774886244 697938487 /nfs/dbraw/zinc/93/84/87/697938487.db2.gz NIOYVUGNMXBHBC-UHFFFAOYSA-N 1 1 323.349 1.363 20 10 DDCDMO COc1c(O)c(C[N@@H+](C)CCN2CCCC2=O)ccc1[N+](=O)[O-] ZINC000774886244 697938491 /nfs/dbraw/zinc/93/84/91/697938491.db2.gz NIOYVUGNMXBHBC-UHFFFAOYSA-N 1 1 323.349 1.363 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000775057323 697958525 /nfs/dbraw/zinc/95/85/25/697958525.db2.gz ODESZAAMDSXTDP-GHMZBOCLSA-N 1 1 310.350 1.902 20 10 DDCDMO COc1c(O)c(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000775057323 697958528 /nfs/dbraw/zinc/95/85/28/697958528.db2.gz ODESZAAMDSXTDP-GHMZBOCLSA-N 1 1 310.350 1.902 20 10 DDCDMO C[C@@H](NC(=O)CC[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000775403994 697993178 /nfs/dbraw/zinc/99/31/78/697993178.db2.gz LZCOJRCMLVPECK-CQSZACIVSA-N 1 1 305.422 1.652 20 10 DDCDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)NCCF ZINC000800291837 700213091 /nfs/dbraw/zinc/21/30/91/700213091.db2.gz HKABIZNMEOQMJF-CQSZACIVSA-N 1 1 322.428 1.002 20 10 DDCDMO CCOc1ccc(O)c(C[N@@H+](CCO)C2CCN(C)CC2)c1 ZINC000305212885 698641668 /nfs/dbraw/zinc/64/16/68/698641668.db2.gz QFKRPCBCKSLHQM-UHFFFAOYSA-N 1 1 308.422 1.679 20 10 DDCDMO CC(C)CN1C[C@@H]2C[N@@H+](Cc3ccccc3O)CCN2C1=O ZINC000787288447 699202779 /nfs/dbraw/zinc/20/27/79/699202779.db2.gz MHVAFZDTYRICCZ-HNNXBMFYSA-N 1 1 303.406 1.970 20 10 DDCDMO CNC(=O)NC(=O)CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731848465 699537881 /nfs/dbraw/zinc/53/78/81/699537881.db2.gz YOPVMHMYNLTQKL-UHFFFAOYSA-N 1 1 319.405 1.983 20 10 DDCDMO NS(=O)(=O)CCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000732202542 699550031 /nfs/dbraw/zinc/55/00/31/699550031.db2.gz VTPWLKTVEJFWAL-UHFFFAOYSA-N 1 1 324.402 1.666 20 10 DDCDMO CCOC(=O)[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000741241303 699823801 /nfs/dbraw/zinc/82/38/01/699823801.db2.gz 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CC(C)OC[C@@H](O)C[NH2+]C1CCN(Cc2ccccc2O)CC1 ZINC001252700202 895396503 /nfs/dbraw/zinc/39/65/03/895396503.db2.gz UXQMHYJWFLWHGR-KRWDZBQOSA-N 1 1 322.449 1.732 20 10 DDCDMO CCCN1CC(=O)N[C@@H]1c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001261366210 899515732 /nfs/dbraw/zinc/51/57/32/899515732.db2.gz LRKRTGZTCFNJKD-KRWDZBQOSA-N 1 1 320.412 1.418 20 10 DDCDMO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001262488255 900193581 /nfs/dbraw/zinc/19/35/81/900193581.db2.gz WEZVPGDPUFLFDL-HNNXBMFYSA-N 1 1 316.449 1.397 20 10 DDCDMO C[C@H](C(=O)N1CCCC1)N1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001262488256 900194033 /nfs/dbraw/zinc/19/40/33/900194033.db2.gz WEZVPGDPUFLFDL-OAHLLOKOSA-N 1 1 316.449 1.397 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000273433969 130121159 /nfs/dbraw/zinc/12/11/59/130121159.db2.gz WOGDIDSLKMMNGS-RDDDGLTNSA-N 1 1 307.268 1.753 20 10 DDCDMO C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1ccccc1O ZINC000264608075 408540105 /nfs/dbraw/zinc/54/01/05/408540105.db2.gz MOHBNXCAWNWXHU-WBVHZDCISA-N 1 1 318.417 1.994 20 10 DDCDMO CCCC[N@@H+](CC(=O)NCC(=O)OC)Cc1ccccc1O ZINC000282422011 409051708 /nfs/dbraw/zinc/05/17/08/409051708.db2.gz JLAFMURDMVXZSO-UHFFFAOYSA-N 1 1 308.378 1.284 20 10 DDCDMO CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278880517 409106606 /nfs/dbraw/zinc/10/66/06/409106606.db2.gz OCGCKQZOWJYHOG-NSHDSACASA-N 1 1 309.366 1.740 20 10 DDCDMO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000278880501 409106658 /nfs/dbraw/zinc/10/66/58/409106658.db2.gz OCAPJQKBCSXAEW-UHFFFAOYSA-N 1 1 309.366 1.883 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000298019001 410082574 /nfs/dbraw/zinc/08/25/74/410082574.db2.gz AZIDSBCFSYOHAD-QAQDUYKDSA-N 1 1 319.449 1.604 20 10 DDCDMO CCS(=O)(=O)NCC[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374323018 418517163 /nfs/dbraw/zinc/51/71/63/418517163.db2.gz GQDFMNDGFGJFMW-UHFFFAOYSA-N 1 1 323.462 1.391 20 10 DDCDMO CCS(=O)(=O)NCC[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374323018 418517164 /nfs/dbraw/zinc/51/71/64/418517164.db2.gz GQDFMNDGFGJFMW-UHFFFAOYSA-N 1 1 323.462 1.391 20 10 DDCDMO [O-]c1c(F)cccc1CN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000361064816 418575754 /nfs/dbraw/zinc/57/57/54/418575754.db2.gz CLPZYZCMFUIPFS-GJZGRUSLSA-N 1 1 308.397 1.952 20 10 DDCDMO [O-]c1c(F)cccc1CN1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO ZINC000361064816 418575756 /nfs/dbraw/zinc/57/57/56/418575756.db2.gz CLPZYZCMFUIPFS-GJZGRUSLSA-N 1 1 308.397 1.952 20 10 DDCDMO OC[C@@H]1CCC[N@H+]1C[C@@H]1CCCN1Cc1cc(F)ccc1O ZINC000361064763 418576486 /nfs/dbraw/zinc/57/64/86/418576486.db2.gz BPMSFUQJFNBCFG-HOTGVXAUSA-N 1 1 308.397 1.952 20 10 DDCDMO OC[C@@H]1CCCN1C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000361064763 418576487 /nfs/dbraw/zinc/57/64/87/418576487.db2.gz BPMSFUQJFNBCFG-HOTGVXAUSA-N 1 1 308.397 1.952 20 10 DDCDMO OC[C@@H]1CCCN1C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000361064763 418576490 /nfs/dbraw/zinc/57/64/90/418576490.db2.gz BPMSFUQJFNBCFG-HOTGVXAUSA-N 1 1 308.397 1.952 20 10 DDCDMO COc1ccc(N2CCC([NH2+]C[C@@](C)(O)CN(C)C)CC2)cc1 ZINC000378406753 418721961 /nfs/dbraw/zinc/72/19/61/418721961.db2.gz VGFXXBBCEKESEY-GOSISDBHSA-N 1 1 321.465 1.566 20 10 DDCDMO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368037310 418677131 /nfs/dbraw/zinc/67/71/31/418677131.db2.gz IVIFSLNHPCCFPM-HHAVJRIZSA-N 1 1 318.373 1.090 20 10 DDCDMO COc1cc(O)c(CN2CCC[N@H+]([C@H](C)CO)CC2)cc1OC ZINC000376415981 418697316 /nfs/dbraw/zinc/69/73/16/418697316.db2.gz QPNMMPJMICIESH-CYBMUJFWSA-N 1 1 324.421 1.298 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CCCN([C@H](C)CO)CC2)cc1OC ZINC000376415981 418697318 /nfs/dbraw/zinc/69/73/18/418697318.db2.gz QPNMMPJMICIESH-CYBMUJFWSA-N 1 1 324.421 1.298 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCCN([C@H](C)CO)CC2)cc1OC ZINC000376415981 418697320 /nfs/dbraw/zinc/69/73/20/418697320.db2.gz QPNMMPJMICIESH-CYBMUJFWSA-N 1 1 324.421 1.298 20 10 DDCDMO COc1c(O)c(CN2CC[C@H]3CC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000370526782 418745348 /nfs/dbraw/zinc/74/53/48/418745348.db2.gz GBDAUMSDUAEBJX-RISCZKNCSA-N 1 1 321.377 1.835 20 10 DDCDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000372403687 418864915 /nfs/dbraw/zinc/86/49/15/418864915.db2.gz GJOOVSNJQSGAMB-GFCCVEGCSA-N 1 1 318.826 1.559 20 10 DDCDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000372403687 418864918 /nfs/dbraw/zinc/86/49/18/418864918.db2.gz GJOOVSNJQSGAMB-GFCCVEGCSA-N 1 1 318.826 1.559 20 10 DDCDMO CCOC[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000530105583 421578397 /nfs/dbraw/zinc/57/83/97/421578397.db2.gz HJMQBECMNKKHCA-IUODEOHRSA-N 1 1 309.362 1.055 20 10 DDCDMO CCOC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000530105583 421578401 /nfs/dbraw/zinc/57/84/01/421578401.db2.gz HJMQBECMNKKHCA-IUODEOHRSA-N 1 1 309.362 1.055 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H](C)[C@H](CO)SC)ccc1[N+](=O)[O-] ZINC000278550234 277364993 /nfs/dbraw/zinc/36/49/93/277364993.db2.gz YWDGLSSFWHXBMZ-KWQFWETISA-N 1 1 316.379 1.511 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](CO)SC)c1 ZINC000273597390 277435650 /nfs/dbraw/zinc/43/56/50/277435650.db2.gz QYEYPPMMTSLBPZ-BHDSKKPTSA-N 1 1 313.419 1.942 20 10 DDCDMO COc1cccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1O ZINC000289716148 278011593 /nfs/dbraw/zinc/01/15/93/278011593.db2.gz PDTHAFKFBLWZSF-UKRRQHHQSA-N 1 1 306.406 1.696 20 10 DDCDMO Cc1cccc(C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1O ZINC000375398844 337010253 /nfs/dbraw/zinc/01/02/53/337010253.db2.gz APBWPIABVDTVOA-GHMZBOCLSA-N 1 1 302.296 1.796 20 10 DDCDMO CC[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccc(F)cc1O ZINC000286161826 535803756 /nfs/dbraw/zinc/80/37/56/535803756.db2.gz PWWTVMGTPFZLIP-HUUCEWRRSA-N 1 1 323.412 1.912 20 10 DDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@@H](C)C1CC1)cc2=O ZINC000071968960 696393037 /nfs/dbraw/zinc/39/30/37/696393037.db2.gz QDSSJISUAWJIHM-JTQLQIEISA-N 1 1 318.377 1.842 20 10 DDCDMO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093771531 696601529 /nfs/dbraw/zinc/60/15/29/696601529.db2.gz MCYCXNVNSBMNFS-QGZVFWFLSA-N 1 1 317.433 1.624 20 10 DDCDMO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093771531 696601531 /nfs/dbraw/zinc/60/15/31/696601531.db2.gz MCYCXNVNSBMNFS-QGZVFWFLSA-N 1 1 317.433 1.624 20 10 DDCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000773816196 697808661 /nfs/dbraw/zinc/80/86/61/697808661.db2.gz DLXCGMOROPQQTO-OAHLLOKOSA-N 1 1 311.451 1.396 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CCC[C@H](CO)CC2)ccc1[N+](=O)[O-] ZINC000293946123 698580452 /nfs/dbraw/zinc/58/04/52/698580452.db2.gz IMFCNXOOMPSBPT-NSHDSACASA-N 1 1 310.350 1.903 20 10 DDCDMO COc1c(O)c(C[N@H+]2CCC[C@H](CO)CC2)ccc1[N+](=O)[O-] ZINC000293946123 698580456 /nfs/dbraw/zinc/58/04/56/698580456.db2.gz IMFCNXOOMPSBPT-NSHDSACASA-N 1 1 310.350 1.903 20 10 DDCDMO CCN(CC)c1ccc(C[N@@H+](C)CCC(=O)NC(N)=O)cc1 ZINC000800709465 700241041 /nfs/dbraw/zinc/24/10/41/700241041.db2.gz GLNTZKBVRFTWKH-UHFFFAOYSA-N 1 1 306.410 1.550 20 10 DDCDMO CCS(=O)(=O)C1(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000708518009 699250540 /nfs/dbraw/zinc/25/05/40/699250540.db2.gz XUAKEVKCTSCSOR-UHFFFAOYSA-N 1 1 305.346 1.727 20 10 DDCDMO COc1cc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c(O)cc1C ZINC000788378504 699309080 /nfs/dbraw/zinc/30/90/80/699309080.db2.gz RYMOVQRYJNKRLU-AWEZNQCLSA-N 1 1 308.422 1.862 20 10 DDCDMO CCC[N@@H+](Cc1cc(C)c(C)cc1O)[C@H]1CC(=O)N(C)C1=O ZINC000802655724 700415876 /nfs/dbraw/zinc/41/58/76/700415876.db2.gz AYYHJVNTBJSDRN-AWEZNQCLSA-N 1 1 304.390 1.978 20 10 DDCDMO CCOc1ccc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)c(O)c1 ZINC000769512593 701248001 /nfs/dbraw/zinc/24/80/01/701248001.db2.gz KKPDFWUPATZQOL-UHFFFAOYSA-N 1 1 315.373 1.443 20 10 DDCDMO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(N(C)C)cc1 ZINC000769984623 701263201 /nfs/dbraw/zinc/26/32/01/701263201.db2.gz DSFMNCVQQGHTMC-GFCCVEGCSA-N 1 1 300.410 2.000 20 10 DDCDMO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000808211705 701507848 /nfs/dbraw/zinc/50/78/48/701507848.db2.gz AMOBKGIHOUOZBI-ZDUSSCGKSA-N 1 1 309.362 1.473 20 10 DDCDMO COC(=O)C[C@H]1COCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000808211705 701507849 /nfs/dbraw/zinc/50/78/49/701507849.db2.gz AMOBKGIHOUOZBI-ZDUSSCGKSA-N 1 1 309.362 1.473 20 10 DDCDMO CC(C)[C@H](CO)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000808421484 701517666 /nfs/dbraw/zinc/51/76/66/701517666.db2.gz JGKGNJXGKVZLMK-KRWDZBQOSA-N 1 1 305.466 1.793 20 10 DDCDMO C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C[N@H+]1C ZINC000839537353 701728981 /nfs/dbraw/zinc/72/89/81/701728981.db2.gz VAFMJNQJBYKODD-CABCVRRESA-N 1 1 318.465 1.393 20 10 DDCDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000840979229 702300061 /nfs/dbraw/zinc/30/00/61/702300061.db2.gz ZTNQKOPENXVERN-LBPRGKRZSA-N 1 1 311.403 1.739 20 10 DDCDMO COc1ccc(O)c(C[N@@H+](C)C(C)(C)CN2CCOCC2)c1 ZINC000840978920 702300448 /nfs/dbraw/zinc/30/04/48/702300448.db2.gz XJNASKATFNUDFV-UHFFFAOYSA-N 1 1 308.422 1.943 20 10 DDCDMO C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841006803 702307234 /nfs/dbraw/zinc/30/72/34/702307234.db2.gz IDWWFJPYRUSFMH-LBPRGKRZSA-N 1 1 304.394 1.198 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)NCC(F)(F)C[NH3+])cc1 ZINC000841971145 702641556 /nfs/dbraw/zinc/64/15/56/702641556.db2.gz LHXFWYLQHIVXOG-UHFFFAOYSA-N 1 1 300.353 1.488 20 10 DDCDMO CC(=O)c1cc(F)cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1O ZINC000842474925 702725076 /nfs/dbraw/zinc/72/50/76/702725076.db2.gz GCHUMEGGANDKOJ-OAHLLOKOSA-N 1 1 321.396 1.213 20 10 DDCDMO Nc1ccc(CC(=O)NC2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000842509837 702729611 /nfs/dbraw/zinc/72/96/11/702729611.db2.gz IVTOTBVEGQQRTR-UHFFFAOYSA-N 1 1 316.449 1.144 20 10 DDCDMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2O)C1)N1CCNCC1 ZINC000843046765 702808003 /nfs/dbraw/zinc/80/80/03/702808003.db2.gz BHWBXUNWKMCDSN-HNNXBMFYSA-N 1 1 303.406 1.036 20 10 DDCDMO O=C([C@H]1CCC[N@H+](Cc2ccccc2O)C1)N1CCNCC1 ZINC000843046765 702808007 /nfs/dbraw/zinc/80/80/07/702808007.db2.gz BHWBXUNWKMCDSN-HNNXBMFYSA-N 1 1 303.406 1.036 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H](O)CC(C)(C)C2)cc1 ZINC000879621620 706741734 /nfs/dbraw/zinc/74/17/34/706741734.db2.gz QUQNJMHOTYUCIR-INIZCTEOSA-N 1 1 319.449 1.462 20 10 DDCDMO C[C@@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1ccccc1O ZINC000879649440 706749509 /nfs/dbraw/zinc/74/95/09/706749509.db2.gz TUFBBFQYPMJCSQ-MRVPVSSYSA-N 1 1 301.272 1.792 20 10 DDCDMO CCN1CC[C@@H]([N@@H+](C)CCN(C)c2ccc(OC)cc2)C1=O ZINC000852212337 703969778 /nfs/dbraw/zinc/96/97/78/703969778.db2.gz ZOTUFBOHWAEBRX-MRXNPFEDSA-N 1 1 305.422 1.684 20 10 DDCDMO O=C(CCCC[NH+]1CCOCC1)N1Cc2cccc(O)c2C1 ZINC000871200764 704242554 /nfs/dbraw/zinc/24/25/54/704242554.db2.gz IIUXOGYRLATMEW-UHFFFAOYSA-N 1 1 304.390 1.737 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(O)cc1C ZINC000853559034 704269642 /nfs/dbraw/zinc/26/96/42/704269642.db2.gz RMLMHPAGHWLYGQ-JSGCOSHPSA-N 1 1 304.390 1.810 20 10 DDCDMO Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c(O)c1O ZINC000854736338 704446188 /nfs/dbraw/zinc/44/61/88/704446188.db2.gz CTUNORSETCPBFF-QGZVFWFLSA-N 1 1 304.390 1.964 20 10 DDCDMO COc1ccc(N2CCC(Nc3nc(N)nc(N)[nH+]3)CC2)cc1 ZINC000858385903 704703180 /nfs/dbraw/zinc/70/31/80/704703180.db2.gz JXLAYYATGDBQJL-UHFFFAOYSA-N 1 1 315.381 1.126 20 10 DDCDMO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC[N@H+]1C ZINC000867302281 706953061 /nfs/dbraw/zinc/95/30/61/706953061.db2.gz NBWKENKNUUFJLL-FPMFFAJLSA-N 1 1 306.406 1.875 20 10 DDCDMO CCN(C)c1ccc(C[NH+]2CCN(c3nccnn3)CC2)cc1 ZINC000859408760 704892614 /nfs/dbraw/zinc/89/26/14/704892614.db2.gz GICDKVIJFUXEDN-UHFFFAOYSA-N 1 1 312.421 1.650 20 10 DDCDMO COc1cccc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)c1O ZINC000824451343 705455170 /nfs/dbraw/zinc/45/51/70/705455170.db2.gz SYRRZHQLJOKEDE-GFCCVEGCSA-N 1 1 306.362 1.675 20 10 DDCDMO COC[C@](C)(O)CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000824559324 705480199 /nfs/dbraw/zinc/48/01/99/705480199.db2.gz PEJMUERGCXJIMS-CQSZACIVSA-N 1 1 314.338 1.186 20 10 DDCDMO COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1O ZINC000825278391 705638372 /nfs/dbraw/zinc/63/83/72/705638372.db2.gz BZIBXGXULKVCSF-CYBMUJFWSA-N 1 1 307.394 1.636 20 10 DDCDMO Oc1cccc(Br)c1C[N@H+]1CCOC[C@H](O)C1 ZINC000862383238 705705761 /nfs/dbraw/zinc/70/57/61/705705761.db2.gz NWPNXCFGASFWLK-SECBINFHSA-N 1 1 302.168 1.348 20 10 DDCDMO Oc1cccc(Br)c1C[N@@H+]1CCOC[C@H](O)C1 ZINC000862383238 705705763 /nfs/dbraw/zinc/70/57/63/705705763.db2.gz NWPNXCFGASFWLK-SECBINFHSA-N 1 1 302.168 1.348 20 10 DDCDMO COc1cccc(O)c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000862526037 705726447 /nfs/dbraw/zinc/72/64/47/705726447.db2.gz LCSZJNCFHNUWSO-NEPJUHHUSA-N 1 1 311.403 1.552 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000862526037 705726448 /nfs/dbraw/zinc/72/64/48/705726448.db2.gz LCSZJNCFHNUWSO-NEPJUHHUSA-N 1 1 311.403 1.552 20 10 DDCDMO Cc1ccc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)c(O)c1 ZINC000876582146 705768715 /nfs/dbraw/zinc/76/87/15/705768715.db2.gz UIPSRGRHFNLRLZ-AWEZNQCLSA-N 1 1 312.435 1.604 20 10 DDCDMO COc1cc(Cl)cc(CNCC2([NH3+])CCOCC2)c1O ZINC000863482103 705937771 /nfs/dbraw/zinc/93/77/71/705937771.db2.gz SNYPCODVDNSVGV-UHFFFAOYSA-N 1 1 300.786 1.652 20 10 DDCDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877183446 706009663 /nfs/dbraw/zinc/00/96/63/706009663.db2.gz DTQGAQSFGVPZGJ-HOCLYGCPSA-N 1 1 304.434 1.850 20 10 DDCDMO COc1cccc(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)c1O ZINC000877776929 706207499 /nfs/dbraw/zinc/20/74/99/706207499.db2.gz HDPZLHBXZVZHLB-UHFFFAOYSA-N 1 1 318.295 1.511 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000835044725 707161638 /nfs/dbraw/zinc/16/16/38/707161638.db2.gz DFPBGACQVLMHIT-BWPKMQGJSA-N 1 1 309.435 1.129 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000835044725 707161640 /nfs/dbraw/zinc/16/16/40/707161640.db2.gz DFPBGACQVLMHIT-BWPKMQGJSA-N 1 1 309.435 1.129 20 10 DDCDMO C[N@H+]1CCN(CC[NH2+]Cc2cc(F)cc(F)c2[O-])CC1(C)C ZINC000883112007 707930449 /nfs/dbraw/zinc/93/04/49/707930449.db2.gz 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OC[C@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)CC[C@H]1O ZINC001237117947 889510046 /nfs/dbraw/zinc/51/00/46/889510046.db2.gz RJDLCTXUEJGPSQ-MWLCHTKSSA-N 1 1 321.295 1.466 20 10 DDCDMO OC[C@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CC[C@H]1O ZINC001237117947 889510054 /nfs/dbraw/zinc/51/00/54/889510054.db2.gz RJDLCTXUEJGPSQ-MWLCHTKSSA-N 1 1 321.295 1.466 20 10 DDCDMO COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)c(OC)c1 ZINC001237680877 889801680 /nfs/dbraw/zinc/80/16/80/889801680.db2.gz MWPBEBFIHWTNJK-QGZVFWFLSA-N 1 1 306.406 1.937 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(O)c(OC)c1 ZINC001237680877 889801690 /nfs/dbraw/zinc/80/16/90/889801690.db2.gz MWPBEBFIHWTNJK-QGZVFWFLSA-N 1 1 306.406 1.937 20 10 DDCDMO COc1cc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c(O)c(OC)c1 ZINC001237680877 889801719 /nfs/dbraw/zinc/80/17/19/889801719.db2.gz MWPBEBFIHWTNJK-QGZVFWFLSA-N 1 1 306.406 1.937 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c(O)c(OC)c1 ZINC001237680877 889801729 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CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCCOCC2)cc1 ZINC000363152742 418763093 /nfs/dbraw/zinc/76/30/93/418763093.db2.gz BLYXERVKQFGRCT-UHFFFAOYSA-N 1 1 305.422 1.433 20 10 DDCDMO O=c1ccc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)n[nH]1 ZINC000371332733 418779697 /nfs/dbraw/zinc/77/96/97/418779697.db2.gz RBIAVHPOEDLTOD-UHFFFAOYSA-N 1 1 320.780 1.863 20 10 DDCDMO CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369048699 418728182 /nfs/dbraw/zinc/72/81/82/418728182.db2.gz WVQSPMGJMDEIAE-LSDHHAIUSA-N 1 1 319.405 1.397 20 10 DDCDMO COC(=O)CN1CCC[N@H+]([C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000368976230 418728236 /nfs/dbraw/zinc/72/82/36/418728236.db2.gz UWJDZGSEASAAKY-ZDUSSCGKSA-N 1 1 322.405 1.643 20 10 DDCDMO COc1cccc(C[N@H+]2CC[C@@H](NC(=O)C3CCC3)C2)c1O ZINC000371383544 418788338 /nfs/dbraw/zinc/78/83/38/418788338.db2.gz ONUVQGLERWSWTN-CQSZACIVSA-N 1 1 304.390 1.891 20 10 DDCDMO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000371461016 418794471 /nfs/dbraw/zinc/79/44/71/418794471.db2.gz 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ZINC000278529289 484296784 /nfs/dbraw/zinc/29/67/84/484296784.db2.gz UQCRUPVWHDUOMX-UHFFFAOYSA-N 1 1 318.333 1.774 20 10 DDCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H]([C@H]3CCCO3)C1)OCO2 ZINC000365997945 526337291 /nfs/dbraw/zinc/33/72/91/526337291.db2.gz ZQMAASHUANVGMX-CZUORRHYSA-N 1 1 307.346 1.501 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H]([C@H]3CCCO3)C1)OCO2 ZINC000365997945 526337294 /nfs/dbraw/zinc/33/72/94/526337294.db2.gz ZQMAASHUANVGMX-CZUORRHYSA-N 1 1 307.346 1.501 20 10 DDCDMO C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)[C@@H]2C1 ZINC000272687237 536460246 /nfs/dbraw/zinc/46/02/46/536460246.db2.gz SZECGQBPTZBDIL-KBUVRSHFSA-N 1 1 302.374 1.664 20 10 DDCDMO C[N@H+](Cc1ccccc1O)Cc1ccccc1S(N)(=O)=O ZINC000798194734 700048594 /nfs/dbraw/zinc/04/85/94/700048594.db2.gz AFDGBBZIRKXNEZ-UHFFFAOYSA-N 1 1 306.387 1.672 20 10 DDCDMO C[N@@H+](Cc1ccccc1O)Cc1ccccc1S(N)(=O)=O ZINC000798194734 700048597 /nfs/dbraw/zinc/04/85/97/700048597.db2.gz AFDGBBZIRKXNEZ-UHFFFAOYSA-N 1 1 306.387 1.672 20 10 DDCDMO COc1ccc(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000082320297 696549062 /nfs/dbraw/zinc/54/90/62/696549062.db2.gz USIUGNADTXOSOI-AWEZNQCLSA-N 1 1 303.406 1.296 20 10 DDCDMO CCOc1cccc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)c1O ZINC000093384576 696600560 /nfs/dbraw/zinc/60/05/60/696600560.db2.gz LHZOXPXTXCPSPB-NSHDSACASA-N 1 1 301.408 1.656 20 10 DDCDMO CCOc1cccc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)c1O ZINC000093384576 696600562 /nfs/dbraw/zinc/60/05/62/696600562.db2.gz LHZOXPXTXCPSPB-NSHDSACASA-N 1 1 301.408 1.656 20 10 DDCDMO CCC[N@@H+](CC)CCNC(=O)NCc1cc(OC)ccc1O ZINC000175514686 697397401 /nfs/dbraw/zinc/39/74/01/697397401.db2.gz SVHQHAHJJRLBDS-UHFFFAOYSA-N 1 1 309.410 1.932 20 10 DDCDMO COC[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 ZINC000188381429 697557991 /nfs/dbraw/zinc/55/79/91/697557991.db2.gz REWPXNGSRPPYGF-CRAIPNDOSA-N 1 1 320.433 1.759 20 10 DDCDMO COc1c(O)c(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774841152 697934313 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20 10 DDCDMO COC[C@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715789933 699277300 /nfs/dbraw/zinc/27/73/00/699277300.db2.gz UCPYLDRTHWDKFZ-VIFPVBQESA-N 1 1 308.147 1.391 20 10 DDCDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@@H]1CN(C)CCO1 ZINC000790977367 699605749 /nfs/dbraw/zinc/60/57/49/699605749.db2.gz IURGLPAOZAYTIO-ZANVPECISA-N 1 1 302.777 1.993 20 10 DDCDMO CN(C)c1ccc(C[N@H+](Cc2nc(=O)n(C)[nH]2)C2CC2)cc1 ZINC000754012805 700476367 /nfs/dbraw/zinc/47/63/67/700476367.db2.gz NXFUAKSFOGJKPS-UHFFFAOYSA-N 1 1 301.394 1.339 20 10 DDCDMO CN(C)c1ccc(C[N@@H+](Cc2nc(=O)n(C)[nH]2)C2CC2)cc1 ZINC000754012805 700476368 /nfs/dbraw/zinc/47/63/68/700476368.db2.gz NXFUAKSFOGJKPS-UHFFFAOYSA-N 1 1 301.394 1.339 20 10 DDCDMO Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC000756550928 700627576 /nfs/dbraw/zinc/62/75/76/700627576.db2.gz UNZLAAMZERWXGP-CABCVRRESA-N 1 1 319.449 1.939 20 10 DDCDMO COCCOC[C@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756733173 700638406 /nfs/dbraw/zinc/63/84/06/700638406.db2.gz NMKKUUNUGABQTP-NWDGAFQWSA-N 1 1 311.378 1.881 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCNC(=O)C(C)C)c1 ZINC000756775837 700640813 /nfs/dbraw/zinc/64/08/13/700640813.db2.gz LMWZICIWTQDBKR-GFCCVEGCSA-N 1 1 322.405 1.992 20 10 DDCDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768464867 701180398 /nfs/dbraw/zinc/18/03/98/701180398.db2.gz FEKCJEWHHXIPCN-XHDPSFHLSA-N 1 1 315.373 1.541 20 10 DDCDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841041707 702320136 /nfs/dbraw/zinc/32/01/36/702320136.db2.gz AMTNWGSQJKDMDW-AWEZNQCLSA-N 1 1 304.394 1.198 20 10 DDCDMO [NH3+]C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000841101212 702347306 /nfs/dbraw/zinc/34/73/06/702347306.db2.gz RXUOPXNVPSPUKL-QGZVFWFLSA-N 1 1 305.422 1.073 20 10 DDCDMO COc1ccc(N2CCN(CCN[C@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000817894546 702511571 /nfs/dbraw/zinc/51/15/71/702511571.db2.gz MHYUFDJFJWFKKZ-OAHLLOKOSA-N 1 1 318.465 1.015 20 10 DDCDMO Nc1ccc(CCNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000841705427 702543993 /nfs/dbraw/zinc/54/39/93/702543993.db2.gz QMIBRVSJTCWRCH-CVEARBPZSA-N 1 1 302.422 1.737 20 10 DDCDMO CN(C)c1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n[nH]1 ZINC000818214520 702608786 /nfs/dbraw/zinc/60/87/86/702608786.db2.gz BTRDRONKJBBFLK-UHFFFAOYSA-N 1 1 315.425 1.235 20 10 DDCDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)NCCc3ccc(N)cc3)C2)C1 ZINC000841955870 702635271 /nfs/dbraw/zinc/63/52/71/702635271.db2.gz QCSIQCQZDPZTRS-GOSISDBHSA-N 1 1 316.449 1.939 20 10 DDCDMO [NH3+]C[C@H]1CN(Cc2cccc(Br)c2O)CCO1 ZINC000843071113 702813458 /nfs/dbraw/zinc/81/34/58/702813458.db2.gz YVGRWKLPBJEFKF-JTQLQIEISA-N 1 1 301.184 1.314 20 10 DDCDMO CC(C)(N)c1noc(CN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843351165 702864517 /nfs/dbraw/zinc/86/45/17/702864517.db2.gz HEBSZYDJGXVIHH-UHFFFAOYSA-N 1 1 301.394 1.675 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC2CC2)cc1 ZINC000844399612 703025832 /nfs/dbraw/zinc/02/58/32/703025832.db2.gz 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705785956 /nfs/dbraw/zinc/78/59/56/705785956.db2.gz NTBQDIBRWFALAI-AWEZNQCLSA-N 1 1 320.433 1.889 20 10 DDCDMO Cc1cccc(O)c1CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000876790229 705878125 /nfs/dbraw/zinc/87/81/25/705878125.db2.gz WTXMCDQYABPSAX-INIZCTEOSA-N 1 1 317.433 1.439 20 10 DDCDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(C)cc3O)CCN2C1=O ZINC000876803733 705884079 /nfs/dbraw/zinc/88/40/79/705884079.db2.gz KCWRXDHPEZGXRK-ZDUSSCGKSA-N 1 1 303.362 1.169 20 10 DDCDMO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876813620 705887805 /nfs/dbraw/zinc/88/78/05/705887805.db2.gz XAJRQLROCHAQOI-KSSFIOAISA-N 1 1 320.433 1.229 20 10 DDCDMO C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876813620 705887808 /nfs/dbraw/zinc/88/78/08/705887808.db2.gz XAJRQLROCHAQOI-KSSFIOAISA-N 1 1 320.433 1.229 20 10 DDCDMO COc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2COCCO2)c1O ZINC000827141204 705938240 /nfs/dbraw/zinc/93/82/40/705938240.db2.gz QAAOIRIUPZEVMB-GFCCVEGCSA-N 1 1 301.770 1.901 20 10 DDCDMO 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CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1O)C(=O)OC ZINC000111236298 407402185 /nfs/dbraw/zinc/40/21/85/407402185.db2.gz SBZZGHZTSXGICQ-LRDDRELGSA-N 1 1 322.405 1.528 20 10 DDCDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2O)C1 ZINC000271352514 407647080 /nfs/dbraw/zinc/64/70/80/407647080.db2.gz LQWVAOBRVBTDPT-DZGCQCFKSA-N 1 1 306.406 1.755 20 10 DDCDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000271763552 407731672 /nfs/dbraw/zinc/73/16/72/407731672.db2.gz ZKNKCKHWRAUXPM-SNVBAGLBSA-N 1 1 318.826 1.546 20 10 DDCDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cc2ccc(N)cc2)CC1 ZINC000262659925 407893444 /nfs/dbraw/zinc/89/34/44/407893444.db2.gz XJFOUNNMBKDOTM-HNNXBMFYSA-N 1 1 318.465 1.201 20 10 DDCDMO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000277097439 408905158 /nfs/dbraw/zinc/90/51/58/408905158.db2.gz LBONDCNAAZZMSY-JTQLQIEISA-N 1 1 319.402 1.014 20 10 DDCDMO COc1c(O)c(C[N@@H+](C)CCn2cccn2)ccc1[N+](=O)[O-] ZINC000278214730 409077472 /nfs/dbraw/zinc/07/74/72/409077472.db2.gz 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ZINC000363907281 418771239 /nfs/dbraw/zinc/77/12/39/418771239.db2.gz KPYZTVVYLXVEHJ-GFCCVEGCSA-N 1 1 302.334 1.217 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](NC(=O)C3CCC3)C2)c1 ZINC000378437879 418723508 /nfs/dbraw/zinc/72/35/08/418723508.db2.gz HKUIOPPKGKVAMM-AWEZNQCLSA-N 1 1 304.390 1.891 20 10 DDCDMO CC(C)NC(=O)CN1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000378488895 418724577 /nfs/dbraw/zinc/72/45/77/418724577.db2.gz ATAHMYLEPINNID-UHFFFAOYSA-N 1 1 323.412 1.564 20 10 DDCDMO CC(C)(C)NC(=O)CN1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000371528561 418797365 /nfs/dbraw/zinc/79/73/65/418797365.db2.gz MNUJYPILAFALFN-UHFFFAOYSA-N 1 1 319.449 1.815 20 10 DDCDMO CN(C)C(=O)CN1CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC000373123524 418929171 /nfs/dbraw/zinc/92/91/71/418929171.db2.gz IFVRBCNGQDLNHT-UHFFFAOYSA-N 1 1 309.385 1.127 20 10 DDCDMO CN(C)C(=O)CN1CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC000373123524 418929173 /nfs/dbraw/zinc/92/91/73/418929173.db2.gz IFVRBCNGQDLNHT-UHFFFAOYSA-N 1 1 309.385 1.127 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 ZINC000373215657 418932404 /nfs/dbraw/zinc/93/24/04/418932404.db2.gz JOEJRTDGWVPILA-WFASDCNBSA-N 1 1 304.390 1.891 20 10 DDCDMO CCOCC[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181064113 519912614 /nfs/dbraw/zinc/91/26/14/519912614.db2.gz MJGQBVAKPTYZIV-GQCTYLIASA-N 1 1 320.389 1.292 20 10 DDCDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000181554373 520045598 /nfs/dbraw/zinc/04/55/98/520045598.db2.gz UMOARNHULCQAPW-HNNXBMFYSA-N 1 1 311.451 1.266 20 10 DDCDMO COCCC[N@@H+](C)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180813161 523218559 /nfs/dbraw/zinc/21/85/59/523218559.db2.gz HSVTYVPOVFSTQB-FNORWQNLSA-N 1 1 308.378 1.196 20 10 DDCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1(O)CCOCC1 ZINC000133688662 523264719 /nfs/dbraw/zinc/26/47/19/523264719.db2.gz ZHGBIEAKFJWQAM-UHFFFAOYSA-N 1 1 320.433 1.497 20 10 DDCDMO C[C@@H](CNC(=O)NCc1ccccc1O)C[NH+]1CCOCC1 ZINC000265713174 524685880 /nfs/dbraw/zinc/68/58/80/524685880.db2.gz 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COc1c(O)c(C[N@H+]2CCC[C@@H](CO)CC2)ccc1[N+](=O)[O-] ZINC000293946121 698580495 /nfs/dbraw/zinc/58/04/95/698580495.db2.gz IMFCNXOOMPSBPT-LLVKDONJSA-N 1 1 310.350 1.903 20 10 DDCDMO CCOc1cccc(C[N@H+]2CCN(CCO)C(C)(C)C2)c1O ZINC000783715114 698870185 /nfs/dbraw/zinc/87/01/85/698870185.db2.gz ZEGIYCOJJOGYQS-UHFFFAOYSA-N 1 1 308.422 1.679 20 10 DDCDMO CCOc1cccc(CN2CC[N@H+](CCO)C(C)(C)C2)c1O ZINC000783715114 698870190 /nfs/dbraw/zinc/87/01/90/698870190.db2.gz ZEGIYCOJJOGYQS-UHFFFAOYSA-N 1 1 308.422 1.679 20 10 DDCDMO CCOc1cccc(CN2CC[N@@H+](CCO)C(C)(C)C2)c1O ZINC000783715114 698870197 /nfs/dbraw/zinc/87/01/97/698870197.db2.gz ZEGIYCOJJOGYQS-UHFFFAOYSA-N 1 1 308.422 1.679 20 10 DDCDMO CCn1ncnc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000785782477 699101691 /nfs/dbraw/zinc/10/16/91/699101691.db2.gz STWQVJODDJIXKZ-AWEZNQCLSA-N 1 1 315.421 1.985 20 10 DDCDMO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ncc[nH]3)cc2)C1 ZINC000727645393 699419949 /nfs/dbraw/zinc/41/99/49/699419949.db2.gz 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DDCDMO COc1cc(Br)cc(C[N@@H+](C)CCC(N)=O)c1O ZINC000809713256 701682340 /nfs/dbraw/zinc/68/23/40/701682340.db2.gz FMOKRAUXSYJZKX-UHFFFAOYSA-N 1 1 317.183 1.471 20 10 DDCDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768464095 701179720 /nfs/dbraw/zinc/17/97/20/701179720.db2.gz NIJCWVDZWYVMRE-CZUORRHYSA-N 1 1 307.346 1.203 20 10 DDCDMO OCC[C@@H]1CSCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000770305716 701274129 /nfs/dbraw/zinc/27/41/29/701274129.db2.gz JJXDGVSVHDDKMY-QGZVFWFLSA-N 1 1 322.474 1.823 20 10 DDCDMO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000808210243 701507873 /nfs/dbraw/zinc/50/78/73/701507873.db2.gz AHDAXJQHNBGXKQ-CYBMUJFWSA-N 1 1 316.357 1.704 20 10 DDCDMO COC(=O)C[C@@H]1COCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000808210243 701507874 /nfs/dbraw/zinc/50/78/74/701507874.db2.gz AHDAXJQHNBGXKQ-CYBMUJFWSA-N 1 1 316.357 1.704 20 10 DDCDMO CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000866154888 706634757 /nfs/dbraw/zinc/63/47/57/706634757.db2.gz YDPJGECBOVGLQB-DOTOQJQBSA-N 1 1 316.449 1.988 20 10 DDCDMO Cc1cnn([C@H]2CC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)c1 ZINC000811802131 702063012 /nfs/dbraw/zinc/06/30/12/702063012.db2.gz XKYUMJUCMRUGIB-BBRMVZONSA-N 1 1 315.373 1.770 20 10 DDCDMO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816569430 702114985 /nfs/dbraw/zinc/11/49/85/702114985.db2.gz LGKJRXRQBSFPMO-AWEZNQCLSA-N 1 1 320.414 1.798 20 10 DDCDMO CC[C@@]1(O)CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000879309680 706646089 /nfs/dbraw/zinc/64/60/89/706646089.db2.gz ADWHAUNHMQVAFK-GOSISDBHSA-N 1 1 319.449 1.606 20 10 DDCDMO CC[C@]1(O)CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000879309682 706646166 /nfs/dbraw/zinc/64/61/66/706646166.db2.gz ADWHAUNHMQVAFK-SFHVURJKSA-N 1 1 319.449 1.606 20 10 DDCDMO O=C(NCc1ccccc1O)c1cc(C[NH+]2CCCC2)on1 ZINC000812490310 702189965 /nfs/dbraw/zinc/18/99/65/702189965.db2.gz QYKNGDOSASFUQL-UHFFFAOYSA-N 1 1 301.346 1.906 20 10 DDCDMO c1cc(N2CCOCC2)ccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841030244 702316944 /nfs/dbraw/zinc/31/69/44/702316944.db2.gz LRRIXWSMZGYEHT-SJPCQFCGSA-N 1 1 301.434 1.896 20 10 DDCDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841052364 702325632 /nfs/dbraw/zinc/32/56/32/702325632.db2.gz CQWJKDAVESLFHK-CYBMUJFWSA-N 1 1 318.421 1.398 20 10 DDCDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841142266 702364060 /nfs/dbraw/zinc/36/40/60/702364060.db2.gz MCDYIUBNXSQQIZ-CQSZACIVSA-N 1 1 304.394 1.150 20 10 DDCDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841142266 702364067 /nfs/dbraw/zinc/36/40/67/702364067.db2.gz MCDYIUBNXSQQIZ-CQSZACIVSA-N 1 1 304.394 1.150 20 10 DDCDMO Nc1ccc(CCNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000841711952 702546491 /nfs/dbraw/zinc/54/64/91/702546491.db2.gz ZCCRXILVSTXUEX-JKSUJKDBSA-N 1 1 302.422 1.737 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)N(CCO)C[C@@H]2C)c1 ZINC000841891856 702607952 /nfs/dbraw/zinc/60/79/52/702607952.db2.gz QQDZWIVMKSGMJS-KGLIPLIRSA-N 1 1 308.422 1.678 20 10 DDCDMO CCOc1ccc(O)c(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c1 ZINC000841891856 702607956 /nfs/dbraw/zinc/60/79/56/702607956.db2.gz QQDZWIVMKSGMJS-KGLIPLIRSA-N 1 1 308.422 1.678 20 10 DDCDMO CCOc1ccc(O)c(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1 ZINC000841891856 702607958 /nfs/dbraw/zinc/60/79/58/702607958.db2.gz QQDZWIVMKSGMJS-KGLIPLIRSA-N 1 1 308.422 1.678 20 10 DDCDMO COc1c([O-])c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843053021 702809264 /nfs/dbraw/zinc/80/92/64/702809264.db2.gz XTAIXZVOZZESSC-WDEREUQCSA-N 1 1 309.366 1.868 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](CN)C(C)(C)C)cc1 ZINC000844225702 702997059 /nfs/dbraw/zinc/99/70/59/702997059.db2.gz GKOIKWLUWYDTIE-HNNXBMFYSA-N 1 1 306.454 1.332 20 10 DDCDMO COCC[N@@H+](Cc1cc(F)ccc1O)C[C@@H](O)C(F)(F)F ZINC000848922645 703604084 /nfs/dbraw/zinc/60/40/84/703604084.db2.gz WLGCNBOMCBYGDG-GFCCVEGCSA-N 1 1 311.275 1.903 20 10 DDCDMO COCC[N@H+](Cc1cc(F)ccc1O)C[C@@H](O)C(F)(F)F ZINC000848922645 703604086 /nfs/dbraw/zinc/60/40/86/703604086.db2.gz WLGCNBOMCBYGDG-GFCCVEGCSA-N 1 1 311.275 1.903 20 10 DDCDMO COc1cc(Cl)cc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1O ZINC000848925991 703604419 /nfs/dbraw/zinc/60/44/19/703604419.db2.gz JOGBTVJLXGIIHE-QWHCGFSZSA-N 1 1 312.797 1.305 20 10 DDCDMO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000850360423 703727127 /nfs/dbraw/zinc/72/71/27/703727127.db2.gz FJSDQMCYYJDGEE-YPMHNXCESA-N 1 1 319.810 1.256 20 10 DDCDMO C[N@@H+](C[C@@H](O)CNCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000818953255 704033136 /nfs/dbraw/zinc/03/31/36/704033136.db2.gz DNMVOPKILQNZRS-SFHVURJKSA-N 1 1 303.450 1.832 20 10 DDCDMO CN(C[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC000818953255 704033138 /nfs/dbraw/zinc/03/31/38/704033138.db2.gz DNMVOPKILQNZRS-SFHVURJKSA-N 1 1 303.450 1.832 20 10 DDCDMO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000819582358 704144969 /nfs/dbraw/zinc/14/49/69/704144969.db2.gz KTMPTGFYAOQQFC-PBHICJAKSA-N 1 1 317.433 1.732 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)cc1OC ZINC000853557477 704268835 /nfs/dbraw/zinc/26/88/35/704268835.db2.gz LRPKBCGFRHUBMM-WCQYABFASA-N 1 1 320.389 1.510 20 10 DDCDMO CCC[N@@H+](C)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211378 704518520 /nfs/dbraw/zinc/51/85/20/704518520.db2.gz NWEHCFKAFKLQIO-UHFFFAOYSA-N 1 1 319.449 1.606 20 10 DDCDMO Cn1cc(CC[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nn1 ZINC000859191290 704816566 /nfs/dbraw/zinc/81/65/66/704816566.db2.gz YTRUPDMTZZDDOZ-INIZCTEOSA-N 1 1 316.405 1.744 20 10 DDCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H]3C(N)=O)cc2)CC1 ZINC000859663063 704966138 /nfs/dbraw/zinc/96/61/38/704966138.db2.gz JFCLDQKRVCZVOW-KRWDZBQOSA-N 1 1 317.433 1.752 20 10 DDCDMO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(O)cccc1Br ZINC000862331506 705697926 /nfs/dbraw/zinc/69/79/26/705697926.db2.gz MCSIXLKQNLQDLA-DTWKUNHWSA-N 1 1 302.168 1.082 20 10 DDCDMO CO[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1OC ZINC000862344676 705699093 /nfs/dbraw/zinc/69/90/93/705699093.db2.gz FTNLEHXYSCMBBX-GASCZTMLSA-N 1 1 300.349 1.876 20 10 DDCDMO CO[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1OC ZINC000862344676 705699094 /nfs/dbraw/zinc/69/90/94/705699094.db2.gz FTNLEHXYSCMBBX-GASCZTMLSA-N 1 1 300.349 1.876 20 10 DDCDMO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000862467856 705720167 /nfs/dbraw/zinc/72/01/67/705720167.db2.gz ZPQXXGAPSYUZKH-LLVKDONJSA-N 1 1 322.317 1.660 20 10 DDCDMO Cc1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(O)c1 ZINC000876789395 705877428 /nfs/dbraw/zinc/87/74/28/705877428.db2.gz ACAUGGUXQRXYDY-INIZCTEOSA-N 1 1 317.433 1.439 20 10 DDCDMO CCOc1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c(O)c1 ZINC000827113869 705931730 /nfs/dbraw/zinc/93/17/30/705931730.db2.gz KLSFVIDKBAJZGP-HNNXBMFYSA-N 1 1 306.406 1.697 20 10 DDCDMO OC1CCN(c2ccc(C[N@H+]3CC[C@@]4(O)C[C@H]4C3)cc2)CC1 ZINC000877631801 706164757 /nfs/dbraw/zinc/16/47/57/706164757.db2.gz VLQDEJBLEWMBAZ-MAUKXSAKSA-N 1 1 302.418 1.604 20 10 DDCDMO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](Cn3ccnn3)C2)cc1 ZINC000878985756 706553157 /nfs/dbraw/zinc/55/31/57/706553157.db2.gz JHIWTEAAVXWSQX-MRXNPFEDSA-N 1 1 301.394 1.245 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CCO[C@@H](Cn3ccnn3)C2)cc1 ZINC000878985756 706553161 /nfs/dbraw/zinc/55/31/61/706553161.db2.gz JHIWTEAAVXWSQX-MRXNPFEDSA-N 1 1 301.394 1.245 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)cc2)CC1 ZINC000872267199 707357193 /nfs/dbraw/zinc/35/71/93/707357193.db2.gz SKGANQPCUBYABC-CALCHBBNSA-N 1 1 301.434 1.517 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3C[C@@H]4COC[C@@H]4C3)cc2)CC1 ZINC000872267199 707357203 /nfs/dbraw/zinc/35/72/03/707357203.db2.gz SKGANQPCUBYABC-CALCHBBNSA-N 1 1 301.434 1.517 20 10 DDCDMO Cc1nn(C)cc1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883283607 707964796 /nfs/dbraw/zinc/96/47/96/707964796.db2.gz LTAOZAQSQXIVDJ-UHFFFAOYSA-N 1 1 313.449 1.770 20 10 DDCDMO CC[N@H+]1CC[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000883444486 708003573 /nfs/dbraw/zinc/00/35/73/708003573.db2.gz WYRUHPQVVBWRCQ-KRWDZBQOSA-N 1 1 314.433 1.956 20 10 DDCDMO Cc1cc(Br)cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1O ZINC000839167266 708032359 /nfs/dbraw/zinc/03/23/59/708032359.db2.gz WIPRTENDTXRAJE-CMPLNLGQSA-N 1 1 316.195 1.248 20 10 DDCDMO COc1cc(Br)cc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1O ZINC000897683194 708418663 /nfs/dbraw/zinc/41/86/63/708418663.db2.gz ASVDEIVOBRAPKE-KCJUWKMLSA-N 1 1 316.195 1.976 20 10 DDCDMO CN(C)c1ccc(/C=C/CN2CCN(C)CC[N@@H+](C)CC2)cc1 ZINC000897858108 708471972 /nfs/dbraw/zinc/47/19/72/708471972.db2.gz BROWKVIWRKUSBS-AATRIKPKSA-N 1 1 316.493 1.945 20 10 DDCDMO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1c(O)cccc1F ZINC000886500136 708768547 /nfs/dbraw/zinc/76/85/47/708768547.db2.gz HXIYYRSQTISUPO-SNVBAGLBSA-N 1 1 316.398 1.606 20 10 DDCDMO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886502888 708769139 /nfs/dbraw/zinc/76/91/39/708769139.db2.gz SAAIRGWDMGAVNV-LBPRGKRZSA-N 1 1 309.385 1.346 20 10 DDCDMO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1c(O)cccc1F ZINC000886515427 708771357 /nfs/dbraw/zinc/77/13/57/708771357.db2.gz FMUISSJUAZJMSK-JTQLQIEISA-N 1 1 318.414 1.900 20 10 DDCDMO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1c(O)cccc1F ZINC000886561693 708777316 /nfs/dbraw/zinc/77/73/16/708777316.db2.gz GOGBGGTXFOXBHQ-MJVIPROJSA-N 1 1 310.369 1.818 20 10 DDCDMO Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900733597 709734395 /nfs/dbraw/zinc/73/43/95/709734395.db2.gz YJLWPIYWPZUOJN-WBVHZDCISA-N 1 1 305.422 1.132 20 10 DDCDMO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894017963 710929982 /nfs/dbraw/zinc/92/99/82/710929982.db2.gz UUOZBAJVLNCROU-SECBINFHSA-N 1 1 320.361 1.171 20 10 DDCDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894017963 710929985 /nfs/dbraw/zinc/92/99/85/710929985.db2.gz UUOZBAJVLNCROU-SECBINFHSA-N 1 1 320.361 1.171 20 10 DDCDMO CC[C@@H](CO)[NH+]1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000894064644 710948863 /nfs/dbraw/zinc/94/88/63/710948863.db2.gz YWZKUDHSZQGWRV-ZDUSSCGKSA-N 1 1 300.349 1.559 20 10 DDCDMO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cnnn1C ZINC000903448202 711130090 /nfs/dbraw/zinc/13/00/90/711130090.db2.gz MASFGAYYGHRRGS-GUYCJALGSA-N 1 1 316.453 1.835 20 10 DDCDMO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1N=NC(=O)N1C ZINC000895185355 711447654 /nfs/dbraw/zinc/44/76/54/711447654.db2.gz ZNQCRTULFCGFBE-LBPRGKRZSA-N 1 1 317.393 1.208 20 10 DDCDMO COc1ccc(C[N@H+]2CCNC(=O)CC2(C)C)c(O)c1OC ZINC000895613290 711559062 /nfs/dbraw/zinc/55/90/62/711559062.db2.gz IDBDZVIIVDCFQC-UHFFFAOYSA-N 1 1 308.378 1.510 20 10 DDCDMO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000895845719 711623805 /nfs/dbraw/zinc/62/38/05/711623805.db2.gz OOJOMIFPQRYJFM-CYBMUJFWSA-N 1 1 319.279 1.868 20 10 DDCDMO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000895919781 711646269 /nfs/dbraw/zinc/64/62/69/711646269.db2.gz HMSUKOTXWXFVMM-GMTAPVOTSA-N 1 1 306.362 1.560 20 10 DDCDMO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000895919781 711646270 /nfs/dbraw/zinc/64/62/70/711646270.db2.gz HMSUKOTXWXFVMM-GMTAPVOTSA-N 1 1 306.362 1.560 20 10 DDCDMO CC(C)OC[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000905427877 712034862 /nfs/dbraw/zinc/03/48/62/712034862.db2.gz ORCDQKRPNJHSJE-GOSISDBHSA-N 1 1 321.465 1.314 20 10 DDCDMO COc1cc(C)cc(C[NH+]2CCN(C(=O)C3CC3)CC2)c1O ZINC000915837928 713433145 /nfs/dbraw/zinc/43/31/45/713433145.db2.gz RGAJYLLUACTUQH-UHFFFAOYSA-N 1 1 304.390 1.763 20 10 DDCDMO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000919081993 713580983 /nfs/dbraw/zinc/58/09/83/713580983.db2.gz QDRDQFBSFRGWPD-CJNGLKHVSA-N 1 1 304.438 1.953 20 10 DDCDMO COc1ccc(N2CCN(C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)cc1 ZINC000923318367 714310568 /nfs/dbraw/zinc/31/05/68/714310568.db2.gz IPONQPVCJHMPQC-KRWDZBQOSA-N 1 1 317.433 1.196 20 10 DDCDMO [NH3+][C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)C12CCC2 ZINC000925499826 714874391 /nfs/dbraw/zinc/87/43/91/714874391.db2.gz ATUZRUFQIQSRBL-DLBZAZTESA-N 1 1 301.434 1.883 20 10 DDCDMO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ncn[nH]3)C2)cc1C ZINC001022867038 734837670 /nfs/dbraw/zinc/83/76/70/734837670.db2.gz WSQCHEANKYBSLO-BETUJISGSA-N 1 1 315.377 1.172 20 10 DDCDMO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)cc1C ZINC001022867038 734837673 /nfs/dbraw/zinc/83/76/73/734837673.db2.gz WSQCHEANKYBSLO-BETUJISGSA-N 1 1 315.377 1.172 20 10 DDCDMO O=S1CC2(C[NH+](Cc3cc4c5c(c3)CCCN5CCC4)C2)C1 ZINC001141075626 737257944 /nfs/dbraw/zinc/25/79/44/737257944.db2.gz UYCSFGNWYQPIJB-UHFFFAOYSA-N 1 1 316.470 1.950 20 10 DDCDMO Cc1c[nH]c2nc(NCCc3cc(O)c(O)cc3O)[nH+]cc12 ZINC001168006731 740542725 /nfs/dbraw/zinc/54/27/25/740542725.db2.gz SESWVJHBICXJFV-UHFFFAOYSA-N 1 1 300.318 1.989 20 10 DDCDMO Cc1nccnc1O[C@@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204278233 742900154 /nfs/dbraw/zinc/90/01/54/742900154.db2.gz ZDCHNNILTDVMDN-CQSZACIVSA-N 1 1 301.346 1.850 20 10 DDCDMO O=C(CCc1ccc(O)c(O)c1)NCC1([NH+]2CCCC2)COC1 ZINC001182155945 743502196 /nfs/dbraw/zinc/50/21/96/743502196.db2.gz XFGOBPWEERDENL-UHFFFAOYSA-N 1 1 320.389 1.011 20 10 DDCDMO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3O)CC[C@H]21 ZINC001203551751 751197487 /nfs/dbraw/zinc/19/74/87/751197487.db2.gz MLYVJPNRHPUULU-WBVHZDCISA-N 1 1 304.390 1.604 20 10 DDCDMO CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001007793456 752355817 /nfs/dbraw/zinc/35/58/17/752355817.db2.gz RBQLIXOJBAFVRD-CYBMUJFWSA-N 1 1 307.394 1.703 20 10 DDCDMO CCC[N@H+]1CCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001007793461 752356359 /nfs/dbraw/zinc/35/63/59/752356359.db2.gz RBQLIXOJBAFVRD-ZDUSSCGKSA-N 1 1 307.394 1.703 20 10 DDCDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CC[C@@H]21 ZINC001137305495 759511091 /nfs/dbraw/zinc/51/10/91/759511091.db2.gz LWVWFNDQWWOTLZ-KGLIPLIRSA-N 1 1 304.390 1.583 20 10 DDCDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(N)cc2)CC1 ZINC001120371078 781901589 /nfs/dbraw/zinc/90/15/89/781901589.db2.gz OWVJHSPRRXNLSU-MRXNPFEDSA-N 1 1 302.422 1.007 20 10 DDCDMO C[N@H+]1CCC[C@]2(CCCN(C(=O)c3ccc(O)c(O)c3O)C2)C1 ZINC001270068450 842267822 /nfs/dbraw/zinc/26/78/22/842267822.db2.gz UBGRZHMTSGDDRI-KRWDZBQOSA-N 1 1 320.389 1.751 20 10 DDCDMO CC(C)(C)c1cccc(C[NH+]2CC(N3CCNC(=O)C3)C2)c1O ZINC001143112118 861375690 /nfs/dbraw/zinc/37/56/90/861375690.db2.gz LGMOJPZAXVIJBH-UHFFFAOYSA-N 1 1 317.433 1.306 20 10 DDCDMO CC[NH+]1CC2(C1)COCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001272447194 846144623 /nfs/dbraw/zinc/14/46/23/846144623.db2.gz SXYZIPKOHTUUIQ-UHFFFAOYSA-N 1 1 303.406 1.186 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c(Cl)c1 ZINC001236799172 846641507 /nfs/dbraw/zinc/64/15/07/846641507.db2.gz RVIHVTQPLLIJFX-OKILXGFUSA-N 1 1 301.770 1.900 20 10 DDCDMO CN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(O)cccc1F)C2 ZINC001273265816 849268046 /nfs/dbraw/zinc/26/80/46/849268046.db2.gz LRCXCMZZWNJJGX-INIZCTEOSA-N 1 1 308.353 1.212 20 10 DDCDMO CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001273265816 849268050 /nfs/dbraw/zinc/26/80/50/849268050.db2.gz LRCXCMZZWNJJGX-INIZCTEOSA-N 1 1 308.353 1.212 20 10 DDCDMO CN(C)C(=O)CN1CC2(C1)CCC[N@@H+](Cc1ccccc1O)C2 ZINC001275267864 852939882 /nfs/dbraw/zinc/93/98/82/852939882.db2.gz ZICURJJIJJXZNA-UHFFFAOYSA-N 1 1 317.433 1.378 20 10 DDCDMO CC(C)NC(=O)N1CCO[C@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]21 ZINC001275267493 852940698 /nfs/dbraw/zinc/94/06/98/852940698.db2.gz PTZFSAZYUKEYSS-HOCLYGCPSA-N 1 1 319.405 1.395 20 10 DDCDMO CC(C)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc(O)cc3O)[C@@H]2C1 ZINC001275953463 854008364 /nfs/dbraw/zinc/00/83/64/854008364.db2.gz XLMQUBAGKUZQKX-SWLSCSKDSA-N 1 1 319.405 1.722 20 10 DDCDMO Cc1c(O)ccc(CN2CC3(CN(CC[NH+](C)C)C3)C2)c1O ZINC001276118039 854771139 /nfs/dbraw/zinc/77/11/39/854771139.db2.gz KWBLGDJSEKJHPT-UHFFFAOYSA-N 1 1 305.422 1.085 20 10 DDCDMO CN(C)c1ccc(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(Cl)c1 ZINC001276156156 854848995 /nfs/dbraw/zinc/84/89/95/854848995.db2.gz QJNUUBWUBHUDRX-HOTGVXAUSA-N 1 1 309.841 1.921 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(Cl)c1 ZINC001276156156 854848997 /nfs/dbraw/zinc/84/89/97/854848997.db2.gz QJNUUBWUBHUDRX-HOTGVXAUSA-N 1 1 309.841 1.921 20 10 DDCDMO Cc1cc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c(C)n1-c1ccccc1 ZINC001137859075 859985338 /nfs/dbraw/zinc/98/53/38/859985338.db2.gz HTLRAVWPVSDHSJ-QGZVFWFLSA-N 1 1 313.401 1.780 20 10 DDCDMO Cc1cc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c(C)n1-c1ccccc1 ZINC001137859075 859985343 /nfs/dbraw/zinc/98/53/43/859985343.db2.gz HTLRAVWPVSDHSJ-QGZVFWFLSA-N 1 1 313.401 1.780 20 10 DDCDMO OC[C@H]1C[C@H](F)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138495035 860119296 /nfs/dbraw/zinc/11/92/96/860119296.db2.gz CUMKIFZWJBBVON-HOTGVXAUSA-N 1 1 308.397 1.676 20 10 DDCDMO COC[C@H]1COCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140287096 860612727 /nfs/dbraw/zinc/61/27/27/860612727.db2.gz IQGCPWOXEUOWGB-KRWDZBQOSA-N 1 1 320.433 1.495 20 10 DDCDMO COC[C@H]1COCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140287096 860612729 /nfs/dbraw/zinc/61/27/29/860612729.db2.gz IQGCPWOXEUOWGB-KRWDZBQOSA-N 1 1 320.433 1.495 20 10 DDCDMO CC[N@H+]1CCO[C@@H]2CN(Cc3ccc(O)c(C)c3O)C[C@@H]2C1 ZINC001140748546 860691864 /nfs/dbraw/zinc/69/18/64/860691864.db2.gz MZSBMEFXBREYCY-GOEBONIOSA-N 1 1 306.406 1.559 20 10 DDCDMO CCN1CCO[C@@H]2C[N@H+](Cc3ccc(O)c(C)c3O)C[C@@H]2C1 ZINC001140748546 860691868 /nfs/dbraw/zinc/69/18/68/860691868.db2.gz MZSBMEFXBREYCY-GOEBONIOSA-N 1 1 306.406 1.559 20 10 DDCDMO CCN1CCO[C@@H]2C[N@@H+](Cc3ccc(O)c(C)c3O)C[C@@H]2C1 ZINC001140748546 860691870 /nfs/dbraw/zinc/69/18/70/860691870.db2.gz MZSBMEFXBREYCY-GOEBONIOSA-N 1 1 306.406 1.559 20 10 DDCDMO CN1CCOc2cc(C[NH+]3CCN(C4COC4)CC3)ccc21 ZINC001141141062 860793358 /nfs/dbraw/zinc/79/33/58/860793358.db2.gz STHGDONRTFFECE-UHFFFAOYSA-N 1 1 303.406 1.032 20 10 DDCDMO c1cc(N2CCCC2)ccc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001329434010 863664924 /nfs/dbraw/zinc/66/49/24/863664924.db2.gz VDDRMPIBWQQCTL-LJQANCHMSA-N 1 1 314.477 1.766 20 10 DDCDMO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001330961172 864738470 /nfs/dbraw/zinc/73/84/70/864738470.db2.gz PDCZTERVEXHTHY-KBPBESRZSA-N 1 1 304.438 1.038 20 10 DDCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1O ZINC001319729477 866258388 /nfs/dbraw/zinc/25/83/88/866258388.db2.gz QXUNFLMEACABSZ-QAPCUYQASA-N 1 1 321.440 1.780 20 10 DDCDMO COc1ccc(C[NH2+]CCCNC(=O)c2cnn[nH]2)cc1C ZINC001161706409 866916725 /nfs/dbraw/zinc/91/67/25/866916725.db2.gz BUBLZAIMRFOTAP-UHFFFAOYSA-N 1 1 303.366 1.031 20 10 DDCDMO COc1ccc(N2CC[C@@H](NC[C@H](O)C[NH+]3CCCC3)C2)cc1 ZINC001335458873 868313693 /nfs/dbraw/zinc/31/36/93/868313693.db2.gz DERVVVBPZOETIP-WBVHZDCISA-N 1 1 319.449 1.320 20 10 DDCDMO CN1CCCc2cc(CNC(=O)c3cnc(C[NH3+])s3)ccc21 ZINC001340839548 871381852 /nfs/dbraw/zinc/38/18/52/871381852.db2.gz QUZGVOBMZFVNGX-UHFFFAOYSA-N 1 1 316.430 1.914 20 10 DDCDMO [NH3+]C[C@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)C[C@H]1O ZINC001206476867 872363994 /nfs/dbraw/zinc/36/39/94/872363994.db2.gz WONHMSGGJCLRPW-DLBZAZTESA-N 1 1 301.434 1.137 20 10 DDCDMO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1[O-] ZINC001276537544 873343183 /nfs/dbraw/zinc/34/31/83/873343183.db2.gz JMGRNOJIEPBRQO-GASCZTMLSA-N 1 1 307.413 1.742 20 10 DDCDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3c(O)cccc3F)[C@@H]2C1 ZINC001351848481 876462628 /nfs/dbraw/zinc/46/26/28/876462628.db2.gz LLBLMMVBPKVDLH-SUHUHFCYSA-N 1 1 307.369 1.671 20 10 DDCDMO CCc1ccc(C[NH+]2CC3(CCN3CC(=O)N(C)C)C2)c(O)c1 ZINC001276805099 878218222 /nfs/dbraw/zinc/21/82/22/878218222.db2.gz QYSBIQXEKQVXMO-UHFFFAOYSA-N 1 1 317.433 1.303 20 10 DDCDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc(N)cc3)C2)nn1 ZINC001356083171 878860129 /nfs/dbraw/zinc/86/01/29/878860129.db2.gz LSLPSIIKUYZHOT-CYBMUJFWSA-N 1 1 301.350 1.094 20 10 DDCDMO CC(C)(C)NC(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001276913616 881066485 /nfs/dbraw/zinc/06/64/85/881066485.db2.gz GQVRBKGGXSXCSF-SJKOYZFVSA-N 1 1 304.390 1.834 20 10 DDCDMO NC(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@@H]2O1 ZINC001277457525 884520235 /nfs/dbraw/zinc/52/02/35/884520235.db2.gz IVROFGGTGDDFSW-OSMZGAPFSA-N 1 1 310.781 1.510 20 10 DDCDMO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(F)cc(C)c1O ZINC001277520019 885668418 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311.433 1.561 20 10 DDCDMO CC(C)(C[NH2+]Cc1cc(F)cc(F)c1O)CS(C)(=O)=O ZINC000723850965 699322077 /nfs/dbraw/zinc/32/20/77/699322077.db2.gz RDXNQWNCBQXMKL-UHFFFAOYSA-N 1 1 307.362 1.831 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCCOC3)[C@@H](O)CO2 ZINC000789543855 699394247 /nfs/dbraw/zinc/39/42/47/699394247.db2.gz CNNKMLHPOXRODV-RDJZCZTQSA-N 1 1 305.374 1.821 20 10 DDCDMO CC(C)[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@@H](C)O ZINC000730422795 699510469 /nfs/dbraw/zinc/51/04/69/699510469.db2.gz DFRGALCGNVCVAK-OAHLLOKOSA-N 1 1 321.465 1.802 20 10 DDCDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000790827635 699599548 /nfs/dbraw/zinc/59/95/48/699599548.db2.gz VQHHWVFEJOCNSO-CYBMUJFWSA-N 1 1 304.390 1.902 20 10 DDCDMO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(F)cc(F)c1O ZINC000756369747 700618047 /nfs/dbraw/zinc/61/80/47/700618047.db2.gz DDYANOGKFGXYJD-RKDXNWHRSA-N 1 1 305.346 1.756 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COCC2CC2)c1 ZINC000756509747 700624993 /nfs/dbraw/zinc/62/49/93/700624993.db2.gz DYMDCGFQIWWWDV-RISCZKNCSA-N 1 1 323.389 1.617 20 10 DDCDMO C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1[O-] ZINC000756547789 700627047 /nfs/dbraw/zinc/62/70/47/700627047.db2.gz HKPLXWXFRVPZRS-STQMWFEESA-N 1 1 323.412 1.769 20 10 DDCDMO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000756549480 700627058 /nfs/dbraw/zinc/62/70/58/700627058.db2.gz NRPIENMNNWFPPB-HUUCEWRRSA-N 1 1 319.449 1.939 20 10 DDCDMO C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1[O-] ZINC000756547788 700627208 /nfs/dbraw/zinc/62/72/08/700627208.db2.gz HKPLXWXFRVPZRS-QWHCGFSZSA-N 1 1 323.412 1.769 20 10 DDCDMO COc1cc(Cl)cc(C[N@@H+](C)CCNC(=O)N(C)C)c1O ZINC000761216803 700850974 /nfs/dbraw/zinc/85/09/74/700850974.db2.gz XVKBPDRAVORYCM-UHFFFAOYSA-N 1 1 315.801 1.757 20 10 DDCDMO Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1C1OCCO1)[C@H](O)CO2 ZINC000768445022 701177558 /nfs/dbraw/zinc/17/75/58/701177558.db2.gz DKOVGFKVQCSVCK-UKRRQHHQSA-N 1 1 321.373 1.545 20 10 DDCDMO Cc1nccn1CCC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464001 701179667 /nfs/dbraw/zinc/17/96/67/701179667.db2.gz YSKMZRAUUIREGH-MRXNPFEDSA-N 1 1 317.389 1.845 20 10 DDCDMO C[N@@H+]1CCC[C@@H]2CN(Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@H]21 ZINC000768463654 701179692 /nfs/dbraw/zinc/17/96/92/701179692.db2.gz VLDKFMNDIAHZRZ-VMGRFDJRSA-N 1 1 318.417 1.734 20 10 DDCDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc4c(cc3O)OC[C@@H]4O)CC[C@H]21 ZINC000768463654 701179695 /nfs/dbraw/zinc/17/96/95/701179695.db2.gz VLDKFMNDIAHZRZ-VMGRFDJRSA-N 1 1 318.417 1.734 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000768927175 701216946 /nfs/dbraw/zinc/21/69/46/701216946.db2.gz QUVJLORYCKJSDZ-LBPRGKRZSA-N 1 1 305.378 1.390 20 10 DDCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cc1F ZINC000769427096 701244769 /nfs/dbraw/zinc/24/47/69/701244769.db2.gz GJXHHVVSGZFAAL-LBPRGKRZSA-N 1 1 315.414 1.145 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)cc1F ZINC000769427096 701244771 /nfs/dbraw/zinc/24/47/71/701244771.db2.gz GJXHHVVSGZFAAL-LBPRGKRZSA-N 1 1 315.414 1.145 20 10 DDCDMO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000769937751 701261327 /nfs/dbraw/zinc/26/13/27/701261327.db2.gz RTKIOHFPJQTBQA-CWIOURORSA-N 1 1 303.450 1.855 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]2C(C)(C)O)cc1 ZINC000839524191 701724247 /nfs/dbraw/zinc/72/42/47/701724247.db2.gz DAFCPMHIYVNMLM-INIZCTEOSA-N 1 1 319.449 1.604 20 10 DDCDMO CCNC(=O)CN1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815008406 701781938 /nfs/dbraw/zinc/78/19/38/701781938.db2.gz VTNSXPRMCPMLIN-UHFFFAOYSA-N 1 1 318.465 1.315 20 10 DDCDMO COCCC[N@@H+](C)CCNC(=O)N[C@H](C)c1ccccc1O ZINC000868309712 702060126 /nfs/dbraw/zinc/06/01/26/702060126.db2.gz LLDNJYZRTHUVJV-CYBMUJFWSA-N 1 1 309.410 1.721 20 10 DDCDMO C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@@H]1C[N@H+](C)CCO1 ZINC000868423622 702118884 /nfs/dbraw/zinc/11/88/84/702118884.db2.gz NFAVJWHNUFYSHT-ZOWXZIJZSA-N 1 1 307.394 1.472 20 10 DDCDMO C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@@H]1C[N@@H+](C)CCO1 ZINC000868423622 702118885 /nfs/dbraw/zinc/11/88/85/702118885.db2.gz NFAVJWHNUFYSHT-ZOWXZIJZSA-N 1 1 307.394 1.472 20 10 DDCDMO [NH3+]C[C@H]1CN(Cc2cccc(Br)c2O)CCCO1 ZINC000841101483 702346895 /nfs/dbraw/zinc/34/68/95/702346895.db2.gz VMEQXDMOHNABIA-NSHDSACASA-N 1 1 315.211 1.704 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(CC(N)=O)CC2)c1 ZINC000817586697 702416506 /nfs/dbraw/zinc/41/65/06/702416506.db2.gz QXQORUWHLIFMSF-JTQLQIEISA-N 1 1 306.362 1.485 20 10 DDCDMO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(Cl)cc1O ZINC000841743495 702555087 /nfs/dbraw/zinc/55/50/87/702555087.db2.gz HWHMCNADADLFSR-SECBINFHSA-N 1 1 306.815 1.636 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C)N(CCO)C[C@@H]1C ZINC000841891636 702607933 /nfs/dbraw/zinc/60/79/33/702607933.db2.gz NPDDHANBKIBQKQ-HOTGVXAUSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(N(C)C)ccc1CN1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000841891636 702607937 /nfs/dbraw/zinc/60/79/37/702607937.db2.gz NPDDHANBKIBQKQ-HOTGVXAUSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(N(C)C)ccc1CN1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000841891636 702607939 /nfs/dbraw/zinc/60/79/39/702607939.db2.gz NPDDHANBKIBQKQ-HOTGVXAUSA-N 1 1 305.466 1.948 20 10 DDCDMO C[N@H+]1CCC[C@H](CCNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841916354 702617327 /nfs/dbraw/zinc/61/73/27/702617327.db2.gz VRHADSNILFEXTQ-OAHLLOKOSA-N 1 1 304.438 1.842 20 10 DDCDMO Cc1cc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1N(C)C ZINC000842162364 702678809 /nfs/dbraw/zinc/67/88/09/702678809.db2.gz HUXABDIZYSERHO-HOTGVXAUSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(C[N@H+]2C[C@H](C)N(CCO)C[C@@H]2C)ccc1N(C)C ZINC000842162364 702678811 /nfs/dbraw/zinc/67/88/11/702678811.db2.gz HUXABDIZYSERHO-HOTGVXAUSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(C[N@@H+]2C[C@H](C)N(CCO)C[C@@H]2C)ccc1N(C)C ZINC000842162364 702678812 /nfs/dbraw/zinc/67/88/12/702678812.db2.gz HUXABDIZYSERHO-HOTGVXAUSA-N 1 1 305.466 1.948 20 10 DDCDMO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(Cl)cc(F)c1O ZINC000843123807 702824463 /nfs/dbraw/zinc/82/44/63/702824463.db2.gz PWVJMPJOWZKGPH-GFCCVEGCSA-N 1 1 316.760 1.522 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](CN)C(C)(C)C)cc1 ZINC000844227549 702997397 /nfs/dbraw/zinc/99/73/97/702997397.db2.gz YRTAAYHCJJFYRU-MRXNPFEDSA-N 1 1 320.481 1.674 20 10 DDCDMO CC[C@H](C)NC(=O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399831 703026067 /nfs/dbraw/zinc/02/60/67/703026067.db2.gz PKMUNDZEDHTDJF-AWEZNQCLSA-N 1 1 307.438 1.978 20 10 DDCDMO CC[C@H](C)NC(=O)C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399831 703026069 /nfs/dbraw/zinc/02/60/69/703026069.db2.gz PKMUNDZEDHTDJF-AWEZNQCLSA-N 1 1 307.438 1.978 20 10 DDCDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccc(O)c(O)c1)CC2 ZINC000845835002 703207972 /nfs/dbraw/zinc/20/79/72/703207972.db2.gz USDRRVFUAFUJIY-LBPRGKRZSA-N 1 1 301.346 1.482 20 10 DDCDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(CC)c2O)C1 ZINC000848901604 703600695 /nfs/dbraw/zinc/60/06/95/703600695.db2.gz XLGGYMSQINEEEL-CQSZACIVSA-N 1 1 312.435 1.468 20 10 DDCDMO O[C@@H]1C[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)CC[N@H+]2C1 ZINC000848925726 703604300 /nfs/dbraw/zinc/60/43/00/703604300.db2.gz DYZYJEGOXRKAFC-RBUKOAKNSA-N 1 1 315.461 1.928 20 10 DDCDMO C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc(F)cc(F)c1O ZINC000850506053 703734368 /nfs/dbraw/zinc/73/43/68/703734368.db2.gz BRDHSGCYOPUQFB-BMIGLBTASA-N 1 1 317.332 1.489 20 10 DDCDMO O=C1C[C@H](C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CN1 ZINC000851840928 703868239 /nfs/dbraw/zinc/86/82/39/703868239.db2.gz MBAWEAASQMQSDG-ZFWWWQNUSA-N 1 1 304.390 1.509 20 10 DDCDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000853602141 704282916 /nfs/dbraw/zinc/28/29/16/704282916.db2.gz OPAOVENQENZEGI-GFCCVEGCSA-N 1 1 320.389 1.858 20 10 DDCDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc(O)c1O ZINC000854642060 704431942 /nfs/dbraw/zinc/43/19/42/704431942.db2.gz IKMNAUZBZWFDSE-CHWSQXEVSA-N 1 1 306.362 1.033 20 10 DDCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1CO ZINC000857062126 704549352 /nfs/dbraw/zinc/54/93/52/704549352.db2.gz YIHYJSDFRYGOLW-DOTOQJQBSA-N 1 1 304.434 1.974 20 10 DDCDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1Cc2cccc(O)c2C1 ZINC000875236224 705324435 /nfs/dbraw/zinc/32/44/35/705324435.db2.gz BMQSOZFSYZRJJJ-ZIAGYGMSSA-N 1 1 317.389 1.281 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000835029531 707158552 /nfs/dbraw/zinc/15/85/52/707158552.db2.gz RMZWIUICEYJMCV-LLCTXKFZSA-N 1 1 323.462 1.519 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000824893087 705553335 /nfs/dbraw/zinc/55/33/35/705553335.db2.gz JWQMAAQPWKCYJA-GASCZTMLSA-N 1 1 301.390 1.237 20 10 DDCDMO COc1cc(O)c(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1OC ZINC000824926852 705559858 /nfs/dbraw/zinc/55/98/58/705559858.db2.gz VHOOIGWDFVCDRC-BETUJISGSA-N 1 1 324.421 1.296 20 10 DDCDMO COc1cc(O)c(C[N@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)cc1OC ZINC000824926852 705559863 /nfs/dbraw/zinc/55/98/63/705559863.db2.gz VHOOIGWDFVCDRC-BETUJISGSA-N 1 1 324.421 1.296 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)cc1OC ZINC000824926852 705559868 /nfs/dbraw/zinc/55/98/68/705559868.db2.gz VHOOIGWDFVCDRC-BETUJISGSA-N 1 1 324.421 1.296 20 10 DDCDMO Oc1cc(Br)ccc1C[NH2+]Cc1nnnn1C1CC1 ZINC000825321107 705645426 /nfs/dbraw/zinc/64/54/26/705645426.db2.gz SNIVECJVPVGFNL-UHFFFAOYSA-N 1 1 324.182 1.766 20 10 DDCDMO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1c(O)cccc1Br ZINC000862331507 705697673 /nfs/dbraw/zinc/69/76/73/705697673.db2.gz MCSIXLKQNLQDLA-IUCAKERBSA-N 1 1 302.168 1.082 20 10 DDCDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862352575 705699494 /nfs/dbraw/zinc/69/94/94/705699494.db2.gz DWRFYJVVBZBNIQ-MRXNPFEDSA-N 1 1 311.376 1.989 20 10 DDCDMO Cc1ccc(CN2CC[NH+](CCC(=O)N(C)C)CC2)c(O)c1 ZINC000876774447 705869913 /nfs/dbraw/zinc/86/99/13/705869913.db2.gz WNHQJCSQTYZFST-UHFFFAOYSA-N 1 1 305.422 1.297 20 10 DDCDMO C[NH2+]CCOCC[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000863647287 705976314 /nfs/dbraw/zinc/97/63/14/705976314.db2.gz IFENDSURBQCKAA-UHFFFAOYSA-N 1 1 317.227 1.823 20 10 DDCDMO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000877513631 706129288 /nfs/dbraw/zinc/12/92/88/706129288.db2.gz AFACRCGGQFOJGK-CYBMUJFWSA-N 1 1 312.435 1.556 20 10 DDCDMO Cc1cccc(O)c1C[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000877549596 706139387 /nfs/dbraw/zinc/13/93/87/706139387.db2.gz PBAXFLZGJPJEQV-UHFFFAOYSA-N 1 1 320.414 1.980 20 10 DDCDMO Cc1cccc(O)c1C[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000877549596 706139388 /nfs/dbraw/zinc/13/93/88/706139388.db2.gz PBAXFLZGJPJEQV-UHFFFAOYSA-N 1 1 320.414 1.980 20 10 DDCDMO COc1c(O)c(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)ccc1[N+](=O)[O-] ZINC000877683746 706178671 /nfs/dbraw/zinc/17/86/71/706178671.db2.gz ZQTQWSYGJULYFG-WCPYMQEGSA-N 1 1 320.345 1.822 20 10 DDCDMO COCCN(C)C(=[NH2+])NCc1cccc(Br)c1O ZINC000871604416 707137558 /nfs/dbraw/zinc/13/75/58/707137558.db2.gz CBQVSPTWGGCKRU-UHFFFAOYSA-N 1 1 316.199 1.757 20 10 DDCDMO COc1c(O)c(C[NH2+]C[C@]2(C)CCC(=O)N2)ccc1[N+](=O)[O-] ZINC000835062103 707165185 /nfs/dbraw/zinc/16/51/85/707165185.db2.gz YITOTKMVRRQOOG-AWEZNQCLSA-N 1 1 309.322 1.067 20 10 DDCDMO C[S@](=N)(=O)N1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000872796719 707605872 /nfs/dbraw/zinc/60/58/72/707605872.db2.gz MBWQJKJLUOSGIQ-JOCHJYFZSA-N 1 1 323.462 1.980 20 10 DDCDMO CCOCCOC[C@H](O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883102195 707927073 /nfs/dbraw/zinc/92/70/73/707927073.db2.gz JFXYAQJMHDKBHL-GFCCVEGCSA-N 1 1 305.321 1.174 20 10 DDCDMO COc1ccc(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c(O)c1OC ZINC000894159126 710991827 /nfs/dbraw/zinc/99/18/27/710991827.db2.gz SDIXNNHHRYTQSK-OLZOCXBDSA-N 1 1 324.421 1.296 20 10 DDCDMO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894412945 711109188 /nfs/dbraw/zinc/10/91/88/711109188.db2.gz ACCQIDFVZPXAKY-KBPBESRZSA-N 1 1 323.389 1.862 20 10 DDCDMO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000894412945 711109190 /nfs/dbraw/zinc/10/91/90/711109190.db2.gz ACCQIDFVZPXAKY-KBPBESRZSA-N 1 1 323.389 1.862 20 10 DDCDMO C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1c(O)cccc1F ZINC000903429344 711123392 /nfs/dbraw/zinc/12/33/92/711123392.db2.gz OOMIIMMWBWRDQN-JTQLQIEISA-N 1 1 307.325 1.535 20 10 DDCDMO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(F)cc(F)c1O ZINC000895085172 711402231 /nfs/dbraw/zinc/40/22/31/711402231.db2.gz KHGZORIGAHXBBS-SNVBAGLBSA-N 1 1 313.348 1.222 20 10 DDCDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1c(O)cccc1F)C2 ZINC000928706290 713468629 /nfs/dbraw/zinc/46/86/29/713468629.db2.gz QKJWTWXFLPCPNS-LLVKDONJSA-N 1 1 303.337 1.915 20 10 DDCDMO C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921705818 713849285 /nfs/dbraw/zinc/84/92/85/713849285.db2.gz YTLDODVJEGEYGT-HNNXBMFYSA-N 1 1 303.450 1.737 20 10 DDCDMO COc1ccc(N2CCN(c3cc(N)[nH+]cn3)CC2)c(OC)c1 ZINC001120953823 782254906 /nfs/dbraw/zinc/25/49/06/782254906.db2.gz BTSNELWACQDMIJ-UHFFFAOYSA-N 1 1 315.377 1.403 20 10 DDCDMO O=C(NC1CC[NH+](Cc2cc(O)ccc2O)CC1)C(F)(F)F ZINC001141160389 737492608 /nfs/dbraw/zinc/49/26/08/737492608.db2.gz WSAJGAIDPWGXMY-UHFFFAOYSA-N 1 1 318.295 1.741 20 10 DDCDMO COc1cc(C(=O)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(OC)n1 ZINC001192421962 745778878 /nfs/dbraw/zinc/77/88/78/745778878.db2.gz VATSEZDUILNDEY-ZSOGYDGISA-N 1 1 319.405 1.844 20 10 DDCDMO CCOCC(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089800225 747877277 /nfs/dbraw/zinc/87/72/77/747877277.db2.gz GQEAZQKIOJWYKO-UHFFFAOYSA-N 1 1 318.421 1.773 20 10 DDCDMO CN(C)c1ccc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1F ZINC001200269517 748183143 /nfs/dbraw/zinc/18/31/43/748183143.db2.gz XHNVAXLKNOQTFN-LSDHHAIUSA-N 1 1 307.413 1.845 20 10 DDCDMO CN(C)c1ccc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cc1F ZINC001200269517 748183146 /nfs/dbraw/zinc/18/31/46/748183146.db2.gz XHNVAXLKNOQTFN-LSDHHAIUSA-N 1 1 307.413 1.845 20 10 DDCDMO COc1ccc(C[NH2+]CCNC(=O)CCc2cnc[nH]2)cc1C ZINC001128967674 750543862 /nfs/dbraw/zinc/54/38/62/750543862.db2.gz WYZGHDYGIUVKOQ-UHFFFAOYSA-N 1 1 316.405 1.565 20 10 DDCDMO CC[N@H+]1C[C@H](NC(=O)c2cc(OC)nc(OC)c2)CC[C@@H]1C ZINC001071644945 769782391 /nfs/dbraw/zinc/78/23/91/769782391.db2.gz DTGDMDNVWRXYBG-WCQYABFASA-N 1 1 307.394 1.701 20 10 DDCDMO O=C1[C@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@H]2CN1CC1CC1 ZINC001144509919 772557114 /nfs/dbraw/zinc/55/71/14/772557114.db2.gz NRCCVQXWPVCYBE-AAEUAGOBSA-N 1 1 318.373 1.104 20 10 DDCDMO C[NH+]1CCN(c2ccc(CNc3ncccn3)cc2F)CC1 ZINC001116724525 780548490 /nfs/dbraw/zinc/54/84/90/780548490.db2.gz VDGVYUPWQLTORC-UHFFFAOYSA-N 1 1 301.369 1.980 20 10 DDCDMO COC(=O)[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCN1C ZINC001143111883 861376935 /nfs/dbraw/zinc/37/69/35/861376935.db2.gz HKANWJJJFOPLRW-OAHLLOKOSA-N 1 1 320.433 1.979 20 10 DDCDMO CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(O)cccc3F)C2)C1=O ZINC001273265316 849266312 /nfs/dbraw/zinc/26/63/12/849266312.db2.gz FCQNSTSKDYUVOY-MRXNPFEDSA-N 1 1 306.337 1.502 20 10 DDCDMO CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c(O)cccc3F)C2)C1=O ZINC001273265316 849266317 /nfs/dbraw/zinc/26/63/17/849266317.db2.gz FCQNSTSKDYUVOY-MRXNPFEDSA-N 1 1 306.337 1.502 20 10 DDCDMO CN(C)c1ccc(CN2C(=O)COCC23C[NH+](C2CC2)C3)cc1 ZINC001274023111 851860373 /nfs/dbraw/zinc/86/03/73/851860373.db2.gz RGOKTPYRBKRWRU-UHFFFAOYSA-N 1 1 315.417 1.328 20 10 DDCDMO CCOC(=O)CN(Cc1c[nH+]c(C)n1C)Cc1ccccc1O ZINC001327823366 862489511 /nfs/dbraw/zinc/48/95/11/862489511.db2.gz GEKGSTANMBIIFV-UHFFFAOYSA-N 1 1 317.389 1.999 20 10 DDCDMO CN1CCCc2cc(C[N@@H+](C)CCN3CCOCC3)ccc21 ZINC001138355042 860071078 /nfs/dbraw/zinc/07/10/78/860071078.db2.gz ZRKYMUYHSUESAE-UHFFFAOYSA-N 1 1 303.450 1.833 20 10 DDCDMO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001138469606 860113595 /nfs/dbraw/zinc/11/35/95/860113595.db2.gz NSQAONCGDDZVAJ-UHFFFAOYSA-N 1 1 317.345 1.556 20 10 DDCDMO CN1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC001139409791 860390202 /nfs/dbraw/zinc/39/02/02/860390202.db2.gz SKZASRSZJLTUAZ-UHFFFAOYSA-N 1 1 316.449 1.103 20 10 DDCDMO Cc1c(O)ccc(CN2CCN(CC[NH+]3CCCC3)CC2)c1O ZINC001140748816 860691133 /nfs/dbraw/zinc/69/11/33/860691133.db2.gz KPWNCIGQAQQPPX-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/46/00/12/866460012.db2.gz UJJUNUSJULRLDS-GFCCVEGCSA-N 1 1 308.332 1.772 20 10 DDCDMO Oc1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@H]1COCCO1 ZINC001335457857 868310723 /nfs/dbraw/zinc/31/07/23/868310723.db2.gz YIJVCAISBPYZPA-CVEARBPZSA-N 1 1 307.390 1.789 20 10 DDCDMO Oc1ccccc1C[N@@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001203553016 870636213 /nfs/dbraw/zinc/63/62/13/870636213.db2.gz YNPBEXZGJFNQKK-UHFFFAOYSA-N 1 1 323.400 1.892 20 10 DDCDMO CCOc1cccc(C[N@H+](C)CCN2CCN(C)CC2)c1O ZINC001203613978 870672434 /nfs/dbraw/zinc/67/24/34/870672434.db2.gz LOHGSNXVEZJYHF-UHFFFAOYSA-N 1 1 307.438 1.470 20 10 DDCDMO CCOc1cccc(C[N@@H+](C)CCN2CCN(C)CC2)c1O ZINC001203613978 870672438 /nfs/dbraw/zinc/67/24/38/870672438.db2.gz LOHGSNXVEZJYHF-UHFFFAOYSA-N 1 1 307.438 1.470 20 10 DDCDMO COC[C@H]1C[N@@H+](Cc2ccc(OC)cc2O)Cc2cn(C)nc21 ZINC001203621375 870676817 /nfs/dbraw/zinc/67/68/17/870676817.db2.gz BZPPZXPBSCTBCV-CQSZACIVSA-N 1 1 317.389 1.880 20 10 DDCDMO COC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc(OC)cc2O)C1 ZINC001203628555 870682110 /nfs/dbraw/zinc/68/21/10/870682110.db2.gz BIVCCIRVBNVFNM-CYBMUJFWSA-N 1 1 317.389 1.876 20 10 DDCDMO COc1ccc(C[N@H+]2CC[C@@H](Oc3cnccn3)C2)c(O)c1 ZINC001203635182 870689101 /nfs/dbraw/zinc/68/91/01/870689101.db2.gz NNFAOUJCMZYTRZ-CQSZACIVSA-N 1 1 301.346 1.844 20 10 DDCDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1)C1CCC1 ZINC001203881900 870815902 /nfs/dbraw/zinc/81/59/02/870815902.db2.gz XIOPLNWRYAYELW-CQSZACIVSA-N 1 1 304.390 1.979 20 10 DDCDMO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1)C1CCC1 ZINC001203881900 870815916 /nfs/dbraw/zinc/81/59/16/870815916.db2.gz XIOPLNWRYAYELW-CQSZACIVSA-N 1 1 304.390 1.979 20 10 DDCDMO C[C@H](O)C[C@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001308283342 871486938 /nfs/dbraw/zinc/48/69/38/871486938.db2.gz VRJITDBMMRYIEV-HOTGVXAUSA-N 1 1 305.466 1.935 20 10 DDCDMO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1cc(F)c(F)cc1O ZINC001308665397 871517438 /nfs/dbraw/zinc/51/74/38/871517438.db2.gz JORDSQDGBBFAHM-OAHLLOKOSA-N 1 1 317.332 1.853 20 10 DDCDMO CN(C)c1cc(F)c(C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)cc1F ZINC001308983137 871543107 /nfs/dbraw/zinc/54/31/07/871543107.db2.gz LWHFNEWCOIPQBE-YPMHNXCESA-N 1 1 314.376 1.454 20 10 DDCDMO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c([O-])c1 ZINC001206036727 872006727 /nfs/dbraw/zinc/00/67/27/872006727.db2.gz OZXSCXASAZJXEO-ZFWWWQNUSA-N 1 1 320.433 1.915 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c([O-])c1 ZINC001206036727 872006747 /nfs/dbraw/zinc/00/67/47/872006747.db2.gz OZXSCXASAZJXEO-ZFWWWQNUSA-N 1 1 320.433 1.915 20 10 DDCDMO COc1c(O)c(C[NH2+]CC[C@H]2CC(=O)N(C)C2)ccc1[N+](=O)[O-] ZINC001207576444 873398949 /nfs/dbraw/zinc/39/89/49/873398949.db2.gz GBRKDYYAKDXUPH-JTQLQIEISA-N 1 1 323.349 1.267 20 10 DDCDMO C[NH+]1CCN(c2ccc(C[NH2+]CCCC(=O)[O-])cc2F)CC1 ZINC001345943582 873567552 /nfs/dbraw/zinc/56/75/52/873567552.db2.gz HGFZFJJDDRQWFP-UHFFFAOYSA-N 1 1 309.385 1.532 20 10 DDCDMO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1C[N@@H+](C)CCN1C ZINC001351788640 876432865 /nfs/dbraw/zinc/43/28/65/876432865.db2.gz YMRDPQMNDYZKPP-HIFRSBDPSA-N 1 1 320.437 1.168 20 10 DDCDMO CN(C)C(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@@H]2O1 ZINC001276913772 881066673 /nfs/dbraw/zinc/06/66/73/881066673.db2.gz IQYXCKOHTKNNLH-WWGRRREGSA-N 1 1 320.389 1.165 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2C[C@H]3C[C@@H](CC(N)=O)O[C@H]3C2)cc1 ZINC001276958983 881297867 /nfs/dbraw/zinc/29/78/67/881297867.db2.gz XQCIAITTZWEILV-KBMXLJTQSA-N 1 1 303.406 1.217 20 10 DDCDMO CC(=O)N1CCN(c2ccc(O[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC001228205750 883390579 /nfs/dbraw/zinc/39/05/79/883390579.db2.gz QXQFYZJROGZRAB-KRWDZBQOSA-N 1 1 303.406 1.438 20 10 DDCDMO C[N@H+]1CC[C@H](Oc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001231271016 885456934 /nfs/dbraw/zinc/45/69/34/885456934.db2.gz XIQFQBFTFVEVAJ-HNNXBMFYSA-N 1 1 310.419 1.004 20 10 DDCDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(O)cc2O)[C@@H]1C ZINC001231637332 885776565 /nfs/dbraw/zinc/77/65/65/885776565.db2.gz JHFFSTPIVMMQBQ-PWSUYJOCSA-N 1 1 309.362 1.880 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C[C@]1(CO)C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@H]1O ZINC001233416077 886986027 /nfs/dbraw/zinc/98/60/27/886986027.db2.gz VTVOCSQPNCUILT-TZMCWYRMSA-N 1 1 319.323 1.976 20 10 DDCDMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233482617 887015821 /nfs/dbraw/zinc/01/58/21/887015821.db2.gz VCZXEECWOJSZIZ-LBPRGKRZSA-N 1 1 322.405 1.884 20 10 DDCDMO COC(=O)C1C[NH+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233728453 887253458 /nfs/dbraw/zinc/25/34/58/887253458.db2.gz XIUCHRBTPUQKBC-UHFFFAOYSA-N 1 1 305.252 1.896 20 10 DDCDMO OC[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC[C@H]1O ZINC001233728621 887253671 /nfs/dbraw/zinc/25/36/71/887253671.db2.gz XOYGMWYLJKJRPM-WDEREUQCSA-N 1 1 321.295 1.466 20 10 DDCDMO NC(=O)[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)CCO1 ZINC001234993769 888319527 /nfs/dbraw/zinc/31/95/27/888319527.db2.gz BDQLWTNYRJQCCW-MRXNPFEDSA-N 1 1 312.369 1.745 20 10 DDCDMO Oc1c(Br)cc(F)cc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236287209 889162999 /nfs/dbraw/zinc/16/29/99/889162999.db2.gz 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CN(C)c1cc(F)c(C[N@@H+](C)CCN2CCOCC2)cc1F ZINC000862237764 705685198 /nfs/dbraw/zinc/68/51/98/705685198.db2.gz DLXOOMILKDRLIY-UHFFFAOYSA-N 1 1 313.392 1.795 20 10 DDCDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862395196 705708742 /nfs/dbraw/zinc/70/87/42/705708742.db2.gz PSLXMUQZPWLYNN-NSHDSACASA-N 1 1 311.376 1.941 20 10 DDCDMO Cc1cc(O)c(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1Cl ZINC000825731706 705723364 /nfs/dbraw/zinc/72/33/64/705723364.db2.gz KKOGBUKWOJARRK-OAHLLOKOSA-N 1 1 323.780 1.528 20 10 DDCDMO COc1c(O)c(C[NH2+]CCO[C@@H]2CC2(F)F)ccc1[N+](=O)[O-] ZINC000827073550 705922412 /nfs/dbraw/zinc/92/24/12/705922412.db2.gz XJCGNEHTZHJXKI-SNVBAGLBSA-N 1 1 318.276 1.823 20 10 DDCDMO COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000827489395 706012577 /nfs/dbraw/zinc/01/25/77/706012577.db2.gz PVYFWAXPIXAFEO-INIZCTEOSA-N 1 1 309.362 1.555 20 10 DDCDMO COC[C@]1(C(=O)OC)CCC[N@H+]1Cc1cc(OC)ccc1O ZINC000827489395 706012580 /nfs/dbraw/zinc/01/25/80/706012580.db2.gz PVYFWAXPIXAFEO-INIZCTEOSA-N 1 1 309.362 1.555 20 10 DDCDMO COc1c(O)c(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000827692265 706050956 /nfs/dbraw/zinc/05/09/56/706050956.db2.gz HCBAZNSYNGGUEW-MEBBXXQBSA-N 1 1 310.350 1.759 20 10 DDCDMO COc1c(O)c(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000827692265 706050960 /nfs/dbraw/zinc/05/09/60/706050960.db2.gz HCBAZNSYNGGUEW-MEBBXXQBSA-N 1 1 310.350 1.759 20 10 DDCDMO Cc1ccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(O)c1 ZINC000877485358 706120128 /nfs/dbraw/zinc/12/01/28/706120128.db2.gz RHTRSYHWWYRBBU-OAHLLOKOSA-N 1 1 324.446 1.701 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@]2(OC)CCOC2)cc1 ZINC000877610294 706158589 /nfs/dbraw/zinc/15/85/89/706158589.db2.gz NBWXSVRNRAIESV-KRWDZBQOSA-N 1 1 308.422 1.869 20 10 DDCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)CC1(O)CCOCC1 ZINC000878151448 706307163 /nfs/dbraw/zinc/30/71/63/706307163.db2.gz QPRVYMXUZGKEOB-MRXNPFEDSA-N 1 1 323.433 1.897 20 10 DDCDMO CC[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1ccc(C)cc1O ZINC000883304149 707972090 /nfs/dbraw/zinc/97/20/90/707972090.db2.gz OGSYLIXCNKGAKP-LBPRGKRZSA-N 1 1 315.377 1.276 20 10 DDCDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cccc(O)c1O ZINC000885880062 708649205 /nfs/dbraw/zinc/64/92/05/708649205.db2.gz MTCSTVOJHFPSRW-GFCCVEGCSA-N 1 1 306.362 1.081 20 10 DDCDMO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@@H+](C)CCO)cc1 ZINC000899729822 709179147 /nfs/dbraw/zinc/17/91/47/709179147.db2.gz PBIIQDFSPHJLDJ-UHFFFAOYSA-N 1 1 315.417 1.748 20 10 DDCDMO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c(O)c1O ZINC000928089890 713125485 /nfs/dbraw/zinc/12/54/85/713125485.db2.gz LWRLWXPGIZHBNI-CHWSQXEVSA-N 1 1 322.430 1.716 20 10 DDCDMO COc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c(O)c1OC ZINC000891850457 710308928 /nfs/dbraw/zinc/30/89/28/710308928.db2.gz SJWGYFIMHCHNMC-OLZOCXBDSA-N 1 1 320.389 1.652 20 10 DDCDMO COc1ccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c(O)c1OC ZINC000891850457 710308930 /nfs/dbraw/zinc/30/89/30/710308930.db2.gz SJWGYFIMHCHNMC-OLZOCXBDSA-N 1 1 320.389 1.652 20 10 DDCDMO C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911667244 710917063 /nfs/dbraw/zinc/91/70/63/710917063.db2.gz PARXFBNWGNJZCJ-BLLLJJGKSA-N 1 1 315.421 1.471 20 10 DDCDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894747404 711257308 /nfs/dbraw/zinc/25/73/08/711257308.db2.gz KTPNDFGZIUAVAK-RISCZKNCSA-N 1 1 312.360 1.965 20 10 DDCDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894747404 711257309 /nfs/dbraw/zinc/25/73/09/711257309.db2.gz KTPNDFGZIUAVAK-RISCZKNCSA-N 1 1 312.360 1.965 20 10 DDCDMO COc1ccc(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c(O)c1OC ZINC000894940218 711329614 /nfs/dbraw/zinc/32/96/14/711329614.db2.gz RVKNSXLCSYZIOG-CYBMUJFWSA-N 1 1 322.405 1.898 20 10 DDCDMO COc1ccc(C[N@H+]2CC[C@@H](C3OCCO3)C2)c(O)c1OC ZINC000896378974 711714711 /nfs/dbraw/zinc/71/47/11/711714711.db2.gz XKVSUSMKNXCWCN-GFCCVEGCSA-N 1 1 309.362 1.604 20 10 DDCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930349970 713811126 /nfs/dbraw/zinc/81/11/26/713811126.db2.gz CTNRSGIPDDNGKG-FUHWJXTLSA-N 1 1 323.433 1.897 20 10 DDCDMO C[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C1C[NH2+]C1 ZINC000925778293 714933659 /nfs/dbraw/zinc/93/36/59/714933659.db2.gz SZAFDQFZPSBXBN-ZDUSSCGKSA-N 1 1 316.449 1.086 20 10 DDCDMO Nc1ccc(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000926141448 715012992 /nfs/dbraw/zinc/01/29/92/715012992.db2.gz DHTJFQXPHWQUNV-ZIAGYGMSSA-N 1 1 306.435 1.970 20 10 DDCDMO CON(C)C(=O)C1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001182009024 743451466 /nfs/dbraw/zinc/45/14/66/743451466.db2.gz YALWGYIWVGSKMD-UHFFFAOYSA-N 1 1 314.332 1.902 20 10 DDCDMO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(O)c(O)c1)N1CCOCC1 ZINC001203882724 747244869 /nfs/dbraw/zinc/24/48/69/747244869.db2.gz SRQCALRSGLICAH-AWEZNQCLSA-N 1 1 320.389 1.311 20 10 DDCDMO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(O)c(O)c1)N1CCOCC1 ZINC001203882724 747244875 /nfs/dbraw/zinc/24/48/75/747244875.db2.gz SRQCALRSGLICAH-AWEZNQCLSA-N 1 1 320.389 1.311 20 10 DDCDMO OC1CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000876818873 749328195 /nfs/dbraw/zinc/32/81/95/749328195.db2.gz ZNFJBFKNVSEMRL-HZPDHXFCSA-N 1 1 301.434 1.299 20 10 DDCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]([NH3+])C(=O)OC ZINC001161135144 773564460 /nfs/dbraw/zinc/56/44/60/773564460.db2.gz UKGRYLPFDUEQBV-HNNXBMFYSA-N 1 1 321.421 1.382 20 10 DDCDMO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001119316398 781402938 /nfs/dbraw/zinc/40/29/38/781402938.db2.gz MDYNDMWAOLLMQB-YOEHRIQHSA-N 1 1 318.465 1.428 20 10 DDCDMO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cnn[nH]2)cc1C ZINC001268378860 840085618 /nfs/dbraw/zinc/08/56/18/840085618.db2.gz BAMRUMCJISMNKB-GFCCVEGCSA-N 1 1 317.393 1.420 20 10 DDCDMO C[N@H+]1CCC[C@@]2(CCCN(C(=O)c3cc(O)c(O)c(O)c3)C2)C1 ZINC001270069686 842269530 /nfs/dbraw/zinc/26/95/30/842269530.db2.gz ODIDQQGNDTWWFE-QGZVFWFLSA-N 1 1 320.389 1.751 20 10 DDCDMO C[N@@H+]1CC[C@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@H]2CC1 ZINC001270703085 842832034 /nfs/dbraw/zinc/83/20/34/842832034.db2.gz CYDPRIYXRVRUNR-SAJISDGCSA-N 1 1 316.401 1.911 20 10 DDCDMO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1O ZINC001272619402 846416638 /nfs/dbraw/zinc/41/66/38/846416638.db2.gz VMPLPGMWLMYJMF-DAXOMENPSA-N 1 1 316.401 1.935 20 10 DDCDMO CC[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)OCC1=O ZINC001272619195 846417712 /nfs/dbraw/zinc/41/77/12/846417712.db2.gz SFNNZUDUXDBRBJ-KDOFPFPSSA-N 1 1 318.417 1.994 20 10 DDCDMO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(C)C3)C2)c(O)c1 ZINC001272764567 847394313 /nfs/dbraw/zinc/39/43/13/847394313.db2.gz BDQBNKVBPFVGQE-QGZVFWFLSA-N 1 1 304.390 1.381 20 10 DDCDMO Cc1cccc(C[N@H+]2CCC[C@]23CCN(C2COC2)C3=O)c1O ZINC001273769492 851321913 /nfs/dbraw/zinc/32/19/13/851321913.db2.gz KDXFQMNTUHZZRJ-GOSISDBHSA-N 1 1 316.401 1.666 20 10 DDCDMO CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1O ZINC001275266743 852940890 /nfs/dbraw/zinc/94/08/90/852940890.db2.gz DMLKLWFSVNIYFU-GASCZTMLSA-N 1 1 303.406 1.129 20 10 DDCDMO C[NH+](C)CCN1CC2(C1)C[NH+](Cc1c([O-])cc(F)cc1F)C2 ZINC001275306151 852968878 /nfs/dbraw/zinc/96/88/78/852968878.db2.gz BKKXVWQPWFEXTP-UHFFFAOYSA-N 1 1 311.376 1.350 20 10 DDCDMO COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(C)ccc1O)C2 ZINC001275311847 852972053 /nfs/dbraw/zinc/97/20/53/852972053.db2.gz QUPYFSDBOJZDJC-WBVHZDCISA-N 1 1 320.433 1.827 20 10 DDCDMO CN1CCOc2cc(C[N@H+]3C[C@@H]4COC[C@H](C3)N4C)ccc21 ZINC001275418487 853096079 /nfs/dbraw/zinc/09/60/79/853096079.db2.gz CLYQDJJCUBJHFU-GASCZTMLSA-N 1 1 303.406 1.030 20 10 DDCDMO Oc1ccc(O)c(C[N@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c1 ZINC001275418555 853096293 /nfs/dbraw/zinc/09/62/93/853096293.db2.gz FRYCWWVDBKTARZ-XJKSGUPXSA-N 1 1 314.389 1.527 20 10 DDCDMO Cc1ccc(CN2C[C@@H]3CN(CC[NH+](C)C)C[C@H](C2)O3)c(O)c1 ZINC001276168511 854869994 /nfs/dbraw/zinc/86/99/94/854869994.db2.gz FCCNJKVGWKIQCJ-CALCHBBNSA-N 1 1 319.449 1.147 20 10 DDCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cnc(N)nc1 ZINC001138165825 860027151 /nfs/dbraw/zinc/02/71/51/860027151.db2.gz ZLASNTGHJIMMJX-UHFFFAOYSA-N 1 1 313.405 1.527 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c(OC)c1 ZINC001138386153 860081798 /nfs/dbraw/zinc/08/17/98/860081798.db2.gz HVERGRZQCXSKRP-GOEBONIOSA-N 1 1 308.422 1.326 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@H](O)C2)c(OC)c1 ZINC001138386776 860084169 /nfs/dbraw/zinc/08/41/69/860084169.db2.gz WLHNLCWPYNEGFK-MRXNPFEDSA-N 1 1 308.422 1.735 20 10 DDCDMO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139408682 860390731 /nfs/dbraw/zinc/39/07/31/860390731.db2.gz PDBHKUARFDYLSB-YJBOKZPZSA-N 1 1 303.450 1.784 20 10 DDCDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139408682 860390742 /nfs/dbraw/zinc/39/07/42/860390742.db2.gz PDBHKUARFDYLSB-YJBOKZPZSA-N 1 1 303.450 1.784 20 10 DDCDMO Cc1cc(CN2CC([N@@H+](C)[C@@H]3CCOC3)C2)ccc1N(C)C ZINC001139673591 860450377 /nfs/dbraw/zinc/45/03/77/860450377.db2.gz VDJFFDBGLHVQCP-MRXNPFEDSA-N 1 1 303.450 1.966 20 10 DDCDMO COCCN1C[C@@H]2C[N@@H+](Cc3c(C)ccc(C)c3O)C[C@@H]2C1=O ZINC001140181166 860586776 /nfs/dbraw/zinc/58/67/76/860586776.db2.gz SDCDFNKSLFMJTD-HOCLYGCPSA-N 1 1 318.417 1.546 20 10 DDCDMO OC1CCN(c2ccc(C[N@H+]3C[C@@H]4CCO[C@@H]4C3)cc2)CC1 ZINC001140288364 860612595 /nfs/dbraw/zinc/61/25/95/860612595.db2.gz QUUBXVDHZUBGDM-MAUKXSAKSA-N 1 1 302.418 1.868 20 10 DDCDMO C[C@@]1(O)COCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660537 860669689 /nfs/dbraw/zinc/66/96/89/860669689.db2.gz VKWFUIYDLBWKCE-KRWDZBQOSA-N 1 1 324.396 1.246 20 10 DDCDMO C[C@@]1(O)COCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660537 860669691 /nfs/dbraw/zinc/66/96/91/860669691.db2.gz VKWFUIYDLBWKCE-KRWDZBQOSA-N 1 1 324.396 1.246 20 10 DDCDMO CC[N@@H+](CCC(N)=O)Cc1ccc(N2CCOCC2)cc1F ZINC001140661530 860669837 /nfs/dbraw/zinc/66/98/37/860669837.db2.gz IECKXKTXVDMECS-UHFFFAOYSA-N 1 1 309.385 1.360 20 10 DDCDMO Fc1cc(N2CCOCC2)ccc1C[N@H+]1CCC2(COC2)C1 ZINC001140660363 860669915 /nfs/dbraw/zinc/66/99/15/860669915.db2.gz PRUITIBWHOOGKM-UHFFFAOYSA-N 1 1 306.381 1.885 20 10 DDCDMO CCOCC[NH+]1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001336290818 868844281 /nfs/dbraw/zinc/84/42/81/868844281.db2.gz SQXFHMUHSBMGOW-UHFFFAOYSA-N 1 1 306.410 1.133 20 10 DDCDMO CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc(OC)cc1O)C2 ZINC001203622140 870676944 /nfs/dbraw/zinc/67/69/44/870676944.db2.gz QLFWXWJZXQXGKD-NVXWUHKLSA-N 1 1 320.389 1.128 20 10 DDCDMO O=C1OC[C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)CCN12 ZINC001204321593 871053231 /nfs/dbraw/zinc/05/32/31/871053231.db2.gz JDJUGCPXYHDPJE-MRXNPFEDSA-N 1 1 301.390 1.923 20 10 DDCDMO O=C1OC[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)CCN12 ZINC001204321593 871053251 /nfs/dbraw/zinc/05/32/51/871053251.db2.gz JDJUGCPXYHDPJE-MRXNPFEDSA-N 1 1 301.390 1.923 20 10 DDCDMO NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc(F)c(F)cc1O ZINC001308865396 871534675 /nfs/dbraw/zinc/53/46/75/871534675.db2.gz OXFGYMBMORMUDG-ZDUSSCGKSA-N 1 1 313.348 1.100 20 10 DDCDMO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c([O-])c1 ZINC001205651662 871675626 /nfs/dbraw/zinc/67/56/26/871675626.db2.gz IBCYKWFBHZGANH-HIFRSBDPSA-N 1 1 320.433 1.915 20 10 DDCDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c([O-])c1 ZINC001205651662 871675639 /nfs/dbraw/zinc/67/56/39/871675639.db2.gz IBCYKWFBHZGANH-HIFRSBDPSA-N 1 1 320.433 1.915 20 10 DDCDMO COc1cc(O)c(CN2CCCC[C@](O)(C[NH3+])C2)cc1OC ZINC001205725788 871753280 /nfs/dbraw/zinc/75/32/80/871753280.db2.gz LIACSXUBDVPCHO-INIZCTEOSA-N 1 1 310.394 1.085 20 10 DDCDMO COc1cccc([C@H](C)[NH2+]Cc2nnc3n2CCOC3)c1O ZINC001346207594 873648411 /nfs/dbraw/zinc/64/84/11/873648411.db2.gz LDYRDARRFRRUBU-JTQLQIEISA-N 1 1 304.350 1.373 20 10 DDCDMO COc1cccc(CNC(=O)NC[C@@H]2CCCC[N@H+]2C)c1O ZINC001346438518 873755502 /nfs/dbraw/zinc/75/55/02/873755502.db2.gz YDJQGSZNOZQWAX-ZDUSSCGKSA-N 1 1 307.394 1.684 20 10 DDCDMO [NH3+][C@H](C(=O)NCCc1cc(O)c(O)cc1O)c1ccsc1 ZINC001220115218 878713030 /nfs/dbraw/zinc/71/30/30/878713030.db2.gz JXKPSTOPSCVATO-ZDUSSCGKSA-N 1 1 308.359 1.224 20 10 DDCDMO CCOc1cccc(CN2CCN(CC[NH+](C)C)CC2)c1O ZINC000317233317 879613561 /nfs/dbraw/zinc/61/35/61/879613561.db2.gz RNCURMKBLYHZCS-UHFFFAOYSA-N 1 1 307.438 1.470 20 10 DDCDMO CN1CCO[C@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3O)C[C@@H]21 ZINC001276837776 880696829 /nfs/dbraw/zinc/69/68/29/880696829.db2.gz HGPXTNRVPXAYBR-JSGCOSHPSA-N 1 1 316.323 1.926 20 10 DDCDMO CN1CCO[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3O)C[C@@H]21 ZINC001276837776 880696835 /nfs/dbraw/zinc/69/68/35/880696835.db2.gz HGPXTNRVPXAYBR-JSGCOSHPSA-N 1 1 316.323 1.926 20 10 DDCDMO CC(C)(C)NC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001276914662 881077053 /nfs/dbraw/zinc/07/70/53/881077053.db2.gz SJJZFMOURCQWTB-YVEFUNNKSA-N 1 1 304.390 1.977 20 10 DDCDMO CC(C)(C)NC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001276914662 881077068 /nfs/dbraw/zinc/07/70/68/881077068.db2.gz SJJZFMOURCQWTB-YVEFUNNKSA-N 1 1 304.390 1.977 20 10 DDCDMO COc1cc(C[N@H+]2CCC(=O)N3CCC[C@H]3C2)c(O)cc1O ZINC001231640014 885778554 /nfs/dbraw/zinc/77/85/54/885778554.db2.gz OSNYJOLLBYXZLI-LBPRGKRZSA-N 1 1 306.362 1.303 20 10 DDCDMO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(O)c(O)c(O)c3)C2)o1 ZINC001233015323 886728018 /nfs/dbraw/zinc/72/80/18/886728018.db2.gz KKIXFBSLWMADSP-NSHDSACASA-N 1 1 305.334 1.874 20 10 DDCDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(O)c(O)c(O)c3)C2)o1 ZINC001233015323 886728022 /nfs/dbraw/zinc/72/80/22/886728022.db2.gz KKIXFBSLWMADSP-NSHDSACASA-N 1 1 305.334 1.874 20 10 DDCDMO COC[C@@H]1Cn2nccc2C[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485094 887018455 /nfs/dbraw/zinc/01/84/55/887018455.db2.gz ITIFCRHRUQGHBD-NSHDSACASA-N 1 1 319.361 1.278 20 10 DDCDMO COC[C@@H]1Cn2nccc2C[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485094 887018467 /nfs/dbraw/zinc/01/84/67/887018467.db2.gz ITIFCRHRUQGHBD-NSHDSACASA-N 1 1 319.361 1.278 20 10 DDCDMO OC[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@H]1O ZINC001233727538 887252746 /nfs/dbraw/zinc/25/27/46/887252746.db2.gz NHNVQBKUFVYBKP-GHMZBOCLSA-N 1 1 321.295 1.466 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CCN[C@@H](C(=O)OC)C2)cc1 ZINC001235446982 888650738 /nfs/dbraw/zinc/65/07/38/888650738.db2.gz WBKHZSQAUGYOFJ-MRXNPFEDSA-N 1 1 305.422 1.480 20 10 DDCDMO Cc1cc(=O)oc2c1ccc(O)c2CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001236576004 889255734 /nfs/dbraw/zinc/25/57/34/889255734.db2.gz GNVJMJWZCXTLTR-VXGBXAGGSA-N 1 1 302.374 1.989 20 10 DDCDMO Oc1cc(C[N@@H+]2CCC[C@@H](O)C2)c(O)cc1Br ZINC001236773488 889346193 /nfs/dbraw/zinc/34/61/93/889346193.db2.gz QLOVWBJVZZNYJH-SECBINFHSA-N 1 1 302.168 1.817 20 10 DDCDMO Oc1cc(C[N@H+]2CCC[C@@H](O)C2)c(O)cc1Br ZINC001236773488 889346177 /nfs/dbraw/zinc/34/61/77/889346177.db2.gz QLOVWBJVZZNYJH-SECBINFHSA-N 1 1 302.168 1.817 20 10 DDCDMO OC[C@H]1CC[N@@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236775280 889351350 /nfs/dbraw/zinc/35/13/50/889351350.db2.gz MFCXSKIAEJXTOT-QMMMGPOBSA-N 1 1 302.168 1.675 20 10 DDCDMO COc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c(O)c1 ZINC001236812163 889369801 /nfs/dbraw/zinc/36/98/01/889369801.db2.gz 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ZINC000273464375 284566009 /nfs/dbraw/zinc/56/60/09/284566009.db2.gz IOMAJSGKDUIXTF-YPMHNXCESA-N 1 1 320.389 1.839 20 10 DDCDMO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)cc1O ZINC000186166582 407591897 /nfs/dbraw/zinc/59/18/97/407591897.db2.gz YFEOQBHCHMBKIU-MNOVXSKESA-N 1 1 316.398 1.463 20 10 DDCDMO Cn1ccc(N2CCC[C@@H]([N@@H+](C)Cc3ccccc3O)C2=O)n1 ZINC000173358830 407876253 /nfs/dbraw/zinc/87/62/53/407876253.db2.gz PNTMJROLTQFZQC-CQSZACIVSA-N 1 1 314.389 1.753 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCCC3(C2)OCCO3)cc1OC ZINC000272529256 407966577 /nfs/dbraw/zinc/96/65/77/407966577.db2.gz AIOUKKIQONHKQV-UHFFFAOYSA-N 1 1 309.362 1.748 20 10 DDCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CC(C)(CO)CO)c1[O-] ZINC000135851777 408057459 /nfs/dbraw/zinc/05/74/59/408057459.db2.gz AULIBTZQEGDWMS-UHFFFAOYSA-N 1 1 315.797 1.671 20 10 DDCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CC(C)(CO)CO)c1O ZINC000135851777 408057465 /nfs/dbraw/zinc/05/74/65/408057465.db2.gz AULIBTZQEGDWMS-UHFFFAOYSA-N 1 1 315.797 1.671 20 10 DDCDMO C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000183202085 408352307 /nfs/dbraw/zinc/35/23/07/408352307.db2.gz QLNGFOLYASSYBJ-ZBFHGGJFSA-N 1 1 319.449 1.414 20 10 DDCDMO CCOC[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000247016831 408386389 /nfs/dbraw/zinc/38/63/89/408386389.db2.gz XTEPNDFOQILVQI-JKSUJKDBSA-N 1 1 309.406 1.771 20 10 DDCDMO COc1ccc(N2CCC[N@@H+](CCCNC(C)=O)CC2)cc1 ZINC000165634897 408813107 /nfs/dbraw/zinc/81/31/07/408813107.db2.gz FKRLZZNXKBOUJM-UHFFFAOYSA-N 1 1 305.422 1.734 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1 ZINC000291471079 408870795 /nfs/dbraw/zinc/87/07/95/408870795.db2.gz DVOMDQSJJAUUIP-CZUORRHYSA-N 1 1 306.406 1.696 20 10 DDCDMO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C(=O)OC)C2)c1 ZINC000283083867 409084729 /nfs/dbraw/zinc/08/47/29/409084729.db2.gz RLJFCACDWQXMEI-IAQYHMDHSA-N 1 1 309.362 1.553 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C(=O)OC)C2)c1 ZINC000283083867 409084731 /nfs/dbraw/zinc/08/47/31/409084731.db2.gz RLJFCACDWQXMEI-IAQYHMDHSA-N 1 1 309.362 1.553 20 10 DDCDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000278721226 409086613 /nfs/dbraw/zinc/08/66/13/409086613.db2.gz POGMQQNHOOWFIE-ZBFHGGJFSA-N 1 1 309.406 1.546 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@H](O)C(C)(C)C2)cc1 ZINC000279835536 409249395 /nfs/dbraw/zinc/24/93/95/409249395.db2.gz RGACKYJLJAZUNT-INIZCTEOSA-N 1 1 319.449 1.414 20 10 DDCDMO COC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000374667568 418552907 /nfs/dbraw/zinc/55/29/07/418552907.db2.gz XVBIDLIYQJUKKA-YVEFUNNKSA-N 1 1 319.357 1.896 20 10 DDCDMO CN1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1=O ZINC000191662220 222106042 /nfs/dbraw/zinc/10/60/42/222106042.db2.gz XAFQVKNBQBSVDM-UHFFFAOYSA-N 1 1 303.406 1.187 20 10 DDCDMO COC(=O)[C@]12C[N@@H+](Cc3cc(F)ccc3O)C[C@H]1COCC2 ZINC000376019225 418691186 /nfs/dbraw/zinc/69/11/86/418691186.db2.gz NYRSPAXLSOHSPV-BLLLJJGKSA-N 1 1 309.337 1.543 20 10 DDCDMO CCOc1cccc(C[N@H+]2CCN3C(=O)N(C)C[C@@H]3C2)c1O ZINC000369691123 418735754 /nfs/dbraw/zinc/73/57/54/418735754.db2.gz GDBVXMRDZDUSMX-CYBMUJFWSA-N 1 1 305.378 1.343 20 10 DDCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000363567989 418767418 /nfs/dbraw/zinc/76/74/18/418767418.db2.gz MSDKJSFYQLVWQQ-KRWDZBQOSA-N 1 1 319.449 1.822 20 10 DDCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000363567989 418767421 /nfs/dbraw/zinc/76/74/21/418767421.db2.gz MSDKJSFYQLVWQQ-KRWDZBQOSA-N 1 1 319.449 1.822 20 10 DDCDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cccc(O)c1O ZINC000365579317 418878957 /nfs/dbraw/zinc/87/89/57/418878957.db2.gz WJTAJZBPXKSADF-QLPKVWCKSA-N 1 1 324.380 1.958 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000280735743 490719742 /nfs/dbraw/zinc/71/97/42/490719742.db2.gz ZGNWWSFLEVGOCD-BETUJISGSA-N 1 1 304.312 1.309 20 10 DDCDMO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000280735743 490719745 /nfs/dbraw/zinc/71/97/45/490719745.db2.gz ZGNWWSFLEVGOCD-BETUJISGSA-N 1 1 304.312 1.309 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000266704724 522188500 /nfs/dbraw/zinc/18/85/00/522188500.db2.gz HXKUYQQOTQOIGP-KRWDZBQOSA-N 1 1 319.449 1.870 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000266704724 522188511 /nfs/dbraw/zinc/18/85/11/522188511.db2.gz HXKUYQQOTQOIGP-KRWDZBQOSA-N 1 1 319.449 1.870 20 10 DDCDMO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273358085 535788147 /nfs/dbraw/zinc/78/81/47/535788147.db2.gz DEHBDQCZQONMFL-LLVKDONJSA-N 1 1 322.405 1.992 20 10 DDCDMO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1COC[C@H]1O ZINC000715817312 699277361 /nfs/dbraw/zinc/27/73/61/699277361.db2.gz GWOTUXQHVBSCRX-NXEZZACHSA-N 1 1 306.131 1.143 20 10 DDCDMO CN(C(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000067457049 696361700 /nfs/dbraw/zinc/36/17/00/696361700.db2.gz FDMIJYNICSLBRV-UHFFFAOYSA-N 1 1 317.433 1.576 20 10 DDCDMO CCOc1ccc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(O)c1 ZINC000798957345 700106406 /nfs/dbraw/zinc/10/64/06/700106406.db2.gz AYYKKWAHGKVZFE-OCCSQVGLSA-N 1 1 306.362 1.721 20 10 DDCDMO CCNC(=O)C[N@@H+](C)Cc1cc(Br)ccc1O ZINC000133183124 696823322 /nfs/dbraw/zinc/82/33/22/696823322.db2.gz DCXBCSKLAOSSQP-UHFFFAOYSA-N 1 1 301.184 1.723 20 10 DDCDMO CCNC(=O)C[N@H+](C)Cc1cc(Br)ccc1O ZINC000133183124 696823318 /nfs/dbraw/zinc/82/33/18/696823318.db2.gz DCXBCSKLAOSSQP-UHFFFAOYSA-N 1 1 301.184 1.723 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000154041972 696925690 /nfs/dbraw/zinc/92/56/90/696925690.db2.gz WKQJGXPYHPCKMP-AWEZNQCLSA-N 1 1 311.451 1.266 20 10 DDCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000161700417 697324957 /nfs/dbraw/zinc/32/49/57/697324957.db2.gz MAWFBVKUUDKPQW-INIZCTEOSA-N 1 1 324.446 1.142 20 10 DDCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000161700417 697324960 /nfs/dbraw/zinc/32/49/60/697324960.db2.gz MAWFBVKUUDKPQW-INIZCTEOSA-N 1 1 324.446 1.142 20 10 DDCDMO CCN(C)c1ccc(C[N@H+]2CC[C@H](S(=O)(=O)NC)C2)cc1 ZINC000773809142 697808410 /nfs/dbraw/zinc/80/84/10/697808410.db2.gz RKVNREKIDIGDDD-HNNXBMFYSA-N 1 1 311.451 1.266 20 10 DDCDMO COc1cc(O)c(C[N@@H+](CC(N)=O)C2CCCC2)cc1OC ZINC000775649918 698019343 /nfs/dbraw/zinc/01/93/43/698019343.db2.gz UVRQEYZZLGECJR-UHFFFAOYSA-N 1 1 308.378 1.639 20 10 DDCDMO CC[C@]1(O)CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000778399213 698271297 /nfs/dbraw/zinc/27/12/97/698271297.db2.gz WLUAIOPNAJBCBF-SFHVURJKSA-N 1 1 319.449 1.558 20 10 DDCDMO COC(=O)c1cn(C2C[NH+](Cc3cc(C)c(C)cc3O)C2)nn1 ZINC000779614515 698442585 /nfs/dbraw/zinc/44/25/85/698442585.db2.gz VOWNJXDHEZQQTI-UHFFFAOYSA-N 1 1 316.361 1.444 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NCC(=O)OC)cc1 ZINC000781617487 698634977 /nfs/dbraw/zinc/63/49/77/698634977.db2.gz CSIYSBOAHJNANK-UHFFFAOYSA-N 1 1 321.421 1.254 20 10 DDCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)NCC(=O)OC)cc1 ZINC000781617487 698634980 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COc1cc([O-])c(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1Cl ZINC001205239429 871451710 /nfs/dbraw/zinc/45/17/10/871451710.db2.gz BACLTVNNHKUHEA-HNNXBMFYSA-N 1 1 314.813 1.730 20 10 DDCDMO COc1cc([O-])c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1Cl ZINC001205239429 871451718 /nfs/dbraw/zinc/45/17/18/871451718.db2.gz BACLTVNNHKUHEA-HNNXBMFYSA-N 1 1 314.813 1.730 20 10 DDCDMO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)c(F)cc1O ZINC001205446016 871560912 /nfs/dbraw/zinc/56/09/12/871560912.db2.gz GWWYRFNUDOBKPN-HIFRSBDPSA-N 1 1 317.332 1.581 20 10 DDCDMO COc1cc(C(=O)N2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc(O)c1O ZINC001276500613 872906044 /nfs/dbraw/zinc/90/60/44/872906044.db2.gz RTQUDJRTNZGXBK-TXEJJXNPSA-N 1 1 320.389 1.520 20 10 DDCDMO O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(O)cc1O)C2 ZINC001277191457 882921759 /nfs/dbraw/zinc/92/17/59/882921759.db2.gz DDAHSMYOFDOAJX-BDJLRTHQSA-N 1 1 314.345 1.282 20 10 DDCDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001223196361 880869736 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COC[C@H]1C[N@H+](Cc2cccc(C)c2O)Cc2nnn(C)c21 ZINC001231592270 885755521 /nfs/dbraw/zinc/75/55/21/885755521.db2.gz PORPEKAMWSPXCU-CYBMUJFWSA-N 1 1 302.378 1.575 20 10 DDCDMO COC[C@H]1C[N@@H+](Cc2cccc(C)c2O)Cc2nnn(C)c21 ZINC001231592270 885755544 /nfs/dbraw/zinc/75/55/44/885755544.db2.gz PORPEKAMWSPXCU-CYBMUJFWSA-N 1 1 302.378 1.575 20 10 DDCDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231636931 885772871 /nfs/dbraw/zinc/77/28/71/885772871.db2.gz BJZADPOMAOQRAV-MRXNPFEDSA-N 1 1 309.362 1.882 20 10 DDCDMO CC[C@@H]1[N@@H+](Cc2cc(O)c(O)c(O)c2)CCC[C@]12CCC(=O)N2 ZINC001233011450 886725599 /nfs/dbraw/zinc/72/55/99/886725599.db2.gz HOYAUUPVMGTMIA-YOEHRIQHSA-N 1 1 320.389 1.827 20 10 DDCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1O ZINC001233287718 886898950 /nfs/dbraw/zinc/89/89/50/886898950.db2.gz DUHUAXVJOCFNEC-BXKDBHETSA-N 1 1 301.770 1.229 20 10 DDCDMO COC[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)Cc2cn(C)nc21 ZINC001233483715 887013795 /nfs/dbraw/zinc/01/37/95/887013795.db2.gz IXGJQYUSRCOEKA-GFCCVEGCSA-N 1 1 319.361 1.283 20 10 DDCDMO COC[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)Cc2cn(C)nc21 ZINC001233483715 887013813 /nfs/dbraw/zinc/01/38/13/887013813.db2.gz IXGJQYUSRCOEKA-GFCCVEGCSA-N 1 1 319.361 1.283 20 10 DDCDMO Cc1cnc(O[C@@H]2CC[N@@H+](Cc3cc(O)c(O)cc3O)C2)nc1 ZINC001233487389 887021839 /nfs/dbraw/zinc/02/18/39/887021839.db2.gz BNEOKIRGAKISQU-GFCCVEGCSA-N 1 1 317.345 1.555 20 10 DDCDMO Cc1cnc(N2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)nc1 ZINC001233487606 887022900 /nfs/dbraw/zinc/02/29/00/887022900.db2.gz KVPPERMLNPSBKM-UHFFFAOYSA-N 1 1 316.361 1.224 20 10 DDCDMO O=C1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CCN1 ZINC001233727912 887253826 /nfs/dbraw/zinc/25/38/26/887253826.db2.gz RKGATRHXGWAICU-UHFFFAOYSA-N 1 1 304.268 1.613 20 10 DDCDMO OC[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC[C@@H]1O ZINC001233728620 887254365 /nfs/dbraw/zinc/25/43/65/887254365.db2.gz XOYGMWYLJKJRPM-QWRGUYRKSA-N 1 1 321.295 1.466 20 10 DDCDMO OC[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC[C@H]1O ZINC001233728616 887255295 /nfs/dbraw/zinc/25/52/95/887255295.db2.gz XOYGMWYLJKJRPM-GHMZBOCLSA-N 1 1 321.295 1.466 20 10 DDCDMO CC(C)(C)c1ccc(C[N@@H+]2CCN3CCNC[C@@H]3C2)c(O)c1 ZINC001234978388 888287123 /nfs/dbraw/zinc/28/71/23/888287123.db2.gz KIXULHNYOWQZHF-MRXNPFEDSA-N 1 1 303.450 1.779 20 10 DDCDMO CC(C)(C)c1ccc(C[N@H+]2CCN3CCNC[C@@H]3C2)c(O)c1 ZINC001234978388 888287137 /nfs/dbraw/zinc/28/71/37/888287137.db2.gz KIXULHNYOWQZHF-MRXNPFEDSA-N 1 1 303.450 1.779 20 10 DDCDMO CN1CCN(c2ccc(CN3C[C@H]4C[C@@]4([NH3+])C3)c(F)c2)CC1 ZINC001236023116 889062618 /nfs/dbraw/zinc/06/26/18/889062618.db2.gz GCQFNOMPZBGBCJ-RHSMWYFYSA-N 1 1 304.413 1.111 20 10 DDCDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2O)C[C@@H]1N ZINC001236347189 889200053 /nfs/dbraw/zinc/20/00/53/889200053.db2.gz AQYYATRJFIBMHV-KGLIPLIRSA-N 1 1 306.406 1.622 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C[C@@H]1N ZINC001236347189 889200071 /nfs/dbraw/zinc/20/00/71/889200071.db2.gz AQYYATRJFIBMHV-KGLIPLIRSA-N 1 1 306.406 1.622 20 10 DDCDMO C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2F)C[C@H](C)[NH2+]1 ZINC001236423670 889229384 /nfs/dbraw/zinc/22/93/84/889229384.db2.gz CLOJEDQFTGUEJD-GJZGRUSLSA-N 1 1 320.456 1.760 20 10 DDCDMO COc1cc(O)c(CN2C[C@H]3[C@H](C2)CCC[N@H+]3C)cc1OC ZINC001236757233 889335644 /nfs/dbraw/zinc/33/56/44/889335644.db2.gz JACDOAZYJWVYNE-JSGCOSHPSA-N 1 1 306.406 1.935 20 10 DDCDMO COc1cc(O)c(C[N@H+]2C[C@H]3[C@H](C2)CCCN3C)cc1OC ZINC001236757233 889335659 /nfs/dbraw/zinc/33/56/59/889335659.db2.gz JACDOAZYJWVYNE-JSGCOSHPSA-N 1 1 306.406 1.935 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3C)cc1OC ZINC001236757233 889335676 /nfs/dbraw/zinc/33/56/76/889335676.db2.gz JACDOAZYJWVYNE-JSGCOSHPSA-N 1 1 306.406 1.935 20 10 DDCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](NC(=O)COC)C2)c(O)c1 ZINC001237048805 889481587 /nfs/dbraw/zinc/48/15/87/889481587.db2.gz WPAJBJQHXVJGOX-CQSZACIVSA-N 1 1 322.405 1.518 20 10 DDCDMO C[NH+](C)C[C@H]1COCCN1Cc1cc(F)cc(Cl)c1O ZINC001237807234 889860405 /nfs/dbraw/zinc/86/04/05/889860405.db2.gz ZKRKGFSGJYFTFB-LBPRGKRZSA-N 1 1 302.777 1.947 20 10 DDCDMO CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)[O-] ZINC001261481537 899601345 /nfs/dbraw/zinc/60/13/45/899601345.db2.gz DHISOGUYACWFSZ-AWEZNQCLSA-N 1 1 309.385 1.530 20 10 DDCDMO Cc1nonc1CNCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001261893672 899810243 /nfs/dbraw/zinc/81/02/43/899810243.db2.gz YCTXWMTVSSYUMG-UHFFFAOYSA-N 1 1 319.384 1.559 20 10 DDCDMO O=C1NC[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CCN12 ZINC000091864020 193118676 /nfs/dbraw/zinc/11/86/76/193118676.db2.gz VCAOWMMQVVZKEH-QGZVFWFLSA-N 1 1 314.433 1.886 20 10 DDCDMO CCN1CCN([C@@H]2CC[N@H+](Cc3cccc(OC)c3O)C2)CC1 ZINC000093133162 193205706 /nfs/dbraw/zinc/20/57/06/193205706.db2.gz SPFPUQRIAWKBIS-MRXNPFEDSA-N 1 1 319.449 1.613 20 10 DDCDMO CCN1CCN([C@@H]2CC[N@@H+](Cc3cccc(OC)c3O)C2)CC1 ZINC000093133162 193205707 /nfs/dbraw/zinc/20/57/07/193205707.db2.gz SPFPUQRIAWKBIS-MRXNPFEDSA-N 1 1 319.449 1.613 20 10 DDCDMO COCC[C@](C)(O)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273366655 130112822 /nfs/dbraw/zinc/11/28/22/130112822.db2.gz BNGQBOJMTVQJAR-BZNIZROVSA-N 1 1 311.378 1.617 20 10 DDCDMO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273491827 130128181 /nfs/dbraw/zinc/12/81/81/130128181.db2.gz OKMZZCSWMBBRQO-JTQLQIEISA-N 1 1 308.378 1.602 20 10 DDCDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000273676483 130152024 /nfs/dbraw/zinc/15/20/24/130152024.db2.gz YIJKMAWWUDHMKU-GFCCVEGCSA-N 1 1 319.361 1.157 20 10 DDCDMO COc1cccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1O ZINC000093664962 407199996 /nfs/dbraw/zinc/19/99/96/407199996.db2.gz ZLDGTVMMLROKNQ-AWEZNQCLSA-N 1 1 306.406 1.555 20 10 DDCDMO COc1cccc(C[NH+]2CCN(c3nc(C)ns3)CC2)c1O ZINC000093663558 407200124 /nfs/dbraw/zinc/20/01/24/407200124.db2.gz STJKVTVEGXMUQT-UHFFFAOYSA-N 1 1 320.418 1.883 20 10 DDCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)C(F)(F)F ZINC000121033505 408151067 /nfs/dbraw/zinc/15/10/67/408151067.db2.gz DZCTZVHURUXFJW-AWEZNQCLSA-N 1 1 318.339 1.878 20 10 DDCDMO CCOCCO[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000269651258 408375102 /nfs/dbraw/zinc/37/51/02/408375102.db2.gz GOGRCUSEUREXCY-ZDUSSCGKSA-N 1 1 309.362 1.748 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)C[C@@H]2CCC[C@H]2O)cc1 ZINC000270227530 408485560 /nfs/dbraw/zinc/48/55/60/408485560.db2.gz ZOPPKECSSBIIQL-DOTOQJQBSA-N 1 1 319.449 1.462 20 10 DDCDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3c(F)ccc(O)c3O)CC[C@@H]21 ZINC000276626197 408893468 /nfs/dbraw/zinc/89/34/68/408893468.db2.gz VJYJFOASIDNSAM-PWSUYJOCSA-N 1 1 308.353 1.793 20 10 DDCDMO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccccc2O)CCCO1 ZINC000277405725 408934116 /nfs/dbraw/zinc/93/41/16/408934116.db2.gz LJMMVKFDJVLOQP-CQSZACIVSA-N 1 1 321.421 1.692 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000278202641 409077870 /nfs/dbraw/zinc/07/78/70/409077870.db2.gz JEPHYZYGCCGGHH-SNVBAGLBSA-N 1 1 309.322 1.006 20 10 DDCDMO COc1c(O)c(C[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000278202641 409077874 /nfs/dbraw/zinc/07/78/74/409077874.db2.gz JEPHYZYGCCGGHH-SNVBAGLBSA-N 1 1 309.322 1.006 20 10 DDCDMO CC[N@H+]1CC[C@H]2OCCN(Cc3cc(OC)ccc3O)[C@H]2C1 ZINC000293626119 409149554 /nfs/dbraw/zinc/14/95/54/409149554.db2.gz LCFJTKKJDRHPKT-DOTOQJQBSA-N 1 1 306.406 1.696 20 10 DDCDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc3c(cc1O)OCO3)C[C@@H](C)O2 ZINC000279715419 409246957 /nfs/dbraw/zinc/24/69/57/409246957.db2.gz IHRWAKYHCNIMMN-PSTGCABASA-N 1 1 321.373 1.889 20 10 DDCDMO COC(=O)c1cnc(SC[C@@H](O)C[N@@H+](C)C2CC2)s1 ZINC000295795770 409370938 /nfs/dbraw/zinc/37/09/38/409370938.db2.gz AUNRZRRYYRMZHR-VIFPVBQESA-N 1 1 302.421 1.477 20 10 DDCDMO COC(=O)[C@]12C[N@@H+](Cc3cc(OC)ccc3O)C[C@H]1COCC2 ZINC000373487546 418433806 /nfs/dbraw/zinc/43/38/06/418433806.db2.gz CPAPCNOWDZYCTP-SUMWQHHRSA-N 1 1 321.373 1.412 20 10 DDCDMO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000249603865 222240952 /nfs/dbraw/zinc/24/09/52/222240952.db2.gz QYPZJKQOGSJBAS-BSWVEEBUSA-N 1 1 314.429 1.724 20 10 DDCDMO COc1cncc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)n1 ZINC000378497574 418724517 /nfs/dbraw/zinc/72/45/17/418724517.db2.gz OSNQNTWZDDPUGL-UHFFFAOYSA-N 1 1 318.352 1.652 20 10 DDCDMO COc1ccc(O)c([C@@H](C)[NH+]2CC(n3cc([C@H](C)O)nn3)C2)c1 ZINC000372595936 418886084 /nfs/dbraw/zinc/88/60/84/418886084.db2.gz CAZSACMSSNVMCY-MNOVXSKESA-N 1 1 318.377 1.664 20 10 DDCDMO Cc1cccc(C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)c1O ZINC000529640522 307564889 /nfs/dbraw/zinc/56/48/89/307564889.db2.gz MRQWRIKHTKXJAM-UHFFFAOYSA-N 1 1 310.419 1.310 20 10 DDCDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180828180 520241104 /nfs/dbraw/zinc/24/11/04/520241104.db2.gz WCAUISDJWJELRP-DYLGSBMWSA-N 1 1 304.390 1.911 20 10 DDCDMO CN(C)c1ccc(CNC(=O)NCC[N@@H+](C)C2CC2)cc1F ZINC000264823066 522197325 /nfs/dbraw/zinc/19/73/25/522197325.db2.gz HREPDDJKWIFYIB-UHFFFAOYSA-N 1 1 308.401 1.785 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cc1OC ZINC000180405709 522778948 /nfs/dbraw/zinc/77/89/48/522778948.db2.gz MDFQUFXKIJBEFA-CYBMUJFWSA-N 1 1 321.295 1.909 20 10 DDCDMO CN(C)CC[NH+]1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000299538117 535872000 /nfs/dbraw/zinc/87/20/00/535872000.db2.gz USJRHTFZBMTWCV-UHFFFAOYSA-N 1 1 320.437 1.217 20 10 DDCDMO CCCNC(=O)C[N@@H+](CCC)Cc1cc2c(cc1O)OCO2 ZINC000054567837 696277240 /nfs/dbraw/zinc/27/72/40/696277240.db2.gz ZBYKOANVMXCYIV-UHFFFAOYSA-N 1 1 308.378 1.859 20 10 DDCDMO CN(C)c1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)o2)cc1 ZINC000088538872 696570311 /nfs/dbraw/zinc/57/03/11/696570311.db2.gz HRCKPWYRGXQWCP-UHFFFAOYSA-N 1 1 309.391 1.283 20 10 DDCDMO COc1cccc(CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1O ZINC000131481903 696806981 /nfs/dbraw/zinc/80/69/81/696806981.db2.gz UZDGHAPYPAYAGF-GFCCVEGCSA-N 1 1 310.419 1.454 20 10 DDCDMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179692695 697440700 /nfs/dbraw/zinc/44/07/00/697440700.db2.gz UKYCDUFZWDUSLN-LLVKDONJSA-N 1 1 318.826 1.559 20 10 DDCDMO CS(=O)(=O)N[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000179692695 697440701 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CN1CCN(c2ccc(C[N@H+]3CCC[C@H]3CCO)cc2)CC1 ZINC000779202424 698401327 /nfs/dbraw/zinc/40/13/27/698401327.db2.gz OLEAHBYSDNDIIJ-KRWDZBQOSA-N 1 1 303.450 1.785 20 10 DDCDMO C[N@@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000380503807 699062010 /nfs/dbraw/zinc/06/20/10/699062010.db2.gz YBQACIYXFOKBAF-GFCCVEGCSA-N 1 1 318.826 1.511 20 10 DDCDMO Nc1ccc(CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000386175162 699076377 /nfs/dbraw/zinc/07/63/77/699076377.db2.gz FERWNYVNLJRSAC-MRXNPFEDSA-N 1 1 303.406 1.135 20 10 DDCDMO COCC(COC)[NH2+]Cc1cccc(Br)c1O ZINC000388465835 699085347 /nfs/dbraw/zinc/08/53/47/699085347.db2.gz JBMGJUWSQLCGSQ-UHFFFAOYSA-N 1 1 304.184 1.906 20 10 DDCDMO CNC(=O)[C@H]1CCC[N@@H+]1Cc1c(O)cccc1Br ZINC000707131803 699245892 /nfs/dbraw/zinc/24/58/92/699245892.db2.gz KOGMTEXKBBSNNE-LLVKDONJSA-N 1 1 313.195 1.865 20 10 DDCDMO CNC(=O)[C@H]1CCC[N@H+]1Cc1c(O)cccc1Br ZINC000707131803 699245893 /nfs/dbraw/zinc/24/58/93/699245893.db2.gz KOGMTEXKBBSNNE-LLVKDONJSA-N 1 1 313.195 1.865 20 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COc1ccc(N2CC[NH+](C[C@](C)(O)C(C)=O)CC2)cc1F ZINC000828030137 706105683 /nfs/dbraw/zinc/10/56/83/706105683.db2.gz AQJDGLLHBCSCLD-INIZCTEOSA-N 1 1 310.369 1.296 20 10 DDCDMO Cc1ccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c(O)c1 ZINC000877485357 706120212 /nfs/dbraw/zinc/12/02/12/706120212.db2.gz RHTRSYHWWYRBBU-HNNXBMFYSA-N 1 1 324.446 1.701 20 10 DDCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000877485539 706120363 /nfs/dbraw/zinc/12/03/63/706120363.db2.gz YHVWIPPTSNQQNV-AWEZNQCLSA-N 1 1 324.446 1.701 20 10 DDCDMO CN1C[C@H]2CC[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)[C@@H]2C1 ZINC000877545391 706138628 /nfs/dbraw/zinc/13/86/28/706138628.db2.gz AGXDIHSAWXKDCW-VQIMIIECSA-N 1 1 315.461 1.784 20 10 DDCDMO C[N@@H+]1C[C@H]2CCN(Cc3ccc(N4CCC(O)CC4)cc3)[C@@H]2C1 ZINC000877545391 706138631 /nfs/dbraw/zinc/13/86/31/706138631.db2.gz AGXDIHSAWXKDCW-VQIMIIECSA-N 1 1 315.461 1.784 20 10 DDCDMO C[N@H+]1C[C@H]2CCN(Cc3ccc(N4CCC(O)CC4)cc3)[C@@H]2C1 ZINC000877545391 706138633 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DDCDMO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc3c(=O)n(C)ccn23)c1 ZINC000883335135 707978253 /nfs/dbraw/zinc/97/82/53/707978253.db2.gz NKSATBKDFGGWEH-LLVKDONJSA-N 1 1 313.361 1.293 20 10 DDCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@](O)(CO)C2)c1O ZINC000839153768 708031063 /nfs/dbraw/zinc/03/10/63/708031063.db2.gz HLHQLWICBDLQJI-AWEZNQCLSA-N 1 1 301.770 1.373 20 10 DDCDMO COc1c(O)c(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)ccc1[N+](=O)[O-] ZINC000896855168 708165470 /nfs/dbraw/zinc/16/54/70/708165470.db2.gz RADAQXYGVXYKCD-UHTWSYAYSA-N 1 1 320.345 1.990 20 10 DDCDMO COc1ccc(N2CCN(C(=O)c3ncoc3C[NH3+])CC2)cc1 ZINC000884177026 708173689 /nfs/dbraw/zinc/17/36/89/708173689.db2.gz YIUFKMPUISBCJH-UHFFFAOYSA-N 1 1 316.361 1.104 20 10 DDCDMO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000897059267 708218982 /nfs/dbraw/zinc/21/89/82/708218982.db2.gz BLLNWAMEVYQVKY-LBPRGKRZSA-N 1 1 320.414 1.656 20 10 DDCDMO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)CC2 ZINC000886552249 708776864 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COc1cc(O)c(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1OC ZINC000903955653 711346773 /nfs/dbraw/zinc/34/67/73/711346773.db2.gz YGDKTTOQWCBGTK-NSHDSACASA-N 1 1 316.348 1.744 20 10 DDCDMO COc1cc(O)c(CNC[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000903955653 711346774 /nfs/dbraw/zinc/34/67/74/711346774.db2.gz YGDKTTOQWCBGTK-NSHDSACASA-N 1 1 316.348 1.744 20 10 DDCDMO COc1ccc(C[N@@H+](C)[C@@H]2CN3CCC2CC3)c(O)c1OC ZINC000895811785 711613747 /nfs/dbraw/zinc/61/37/47/711613747.db2.gz VJRCIDNDONNRBD-CQSZACIVSA-N 1 1 306.406 1.935 20 10 DDCDMO COc1ccc(CN(C)[C@@H]2C[NH+]3CCC2CC3)c(O)c1OC ZINC000895811785 711613751 /nfs/dbraw/zinc/61/37/51/711613751.db2.gz VJRCIDNDONNRBD-CQSZACIVSA-N 1 1 306.406 1.935 20 10 DDCDMO C[C@@H]1[C@@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H](C)C(=O)N1C ZINC000895919783 711646366 /nfs/dbraw/zinc/64/63/66/711646366.db2.gz HMSUKOTXWXFVMM-MXWKQRLJSA-N 1 1 306.362 1.560 20 10 DDCDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H](C)C(=O)N1C ZINC000895919783 711646367 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[NH3+]C[C@H]1CN(Cc2cc(F)cc(Br)c2O)C[C@H]1O ZINC001206480968 743486949 /nfs/dbraw/zinc/48/69/49/743486949.db2.gz NELVRAAUPWZFGG-GZMMTYOYSA-N 1 1 319.174 1.045 20 10 DDCDMO [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001205663316 746373391 /nfs/dbraw/zinc/37/33/91/746373391.db2.gz HIRGENYXYSOQKI-GOSISDBHSA-N 1 1 303.450 1.963 20 10 DDCDMO CCOC(=O)C1=C(O)CC[N@@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509242 772557279 /nfs/dbraw/zinc/55/72/79/772557279.db2.gz QCEPZBSBXBVJAW-LLVKDONJSA-N 1 1 323.345 1.148 20 10 DDCDMO O=C1CC[C@@H]2C[C@H]([N@@H+]3CCCc4cc(O)c(O)cc4C3)CCN12 ZINC001172180632 776699927 /nfs/dbraw/zinc/69/99/27/776699927.db2.gz DMKUBEVWSNJCQF-HUUCEWRRSA-N 1 1 316.401 1.999 20 10 DDCDMO COc1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c(O)c1OC ZINC001119970258 781701396 /nfs/dbraw/zinc/70/13/96/781701396.db2.gz SOWUDCFRKLWXJZ-LLVKDONJSA-N 1 1 317.332 1.859 20 10 DDCDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1ccc(O)c(O)c1)C2 ZINC001271833875 844144894 /nfs/dbraw/zinc/14/48/94/844144894.db2.gz JYKMJJJAVWZBKO-SFHVURJKSA-N 1 1 318.417 1.975 20 10 DDCDMO Oc1ccc(CN2C[C@@H]3COC[C@H](C2)[N@@H+]3C2CCCC2)cc1O ZINC001275820952 853813912 /nfs/dbraw/zinc/81/39/12/853813912.db2.gz BXAVBNJXTVYRAI-IYBDPMFKSA-N 1 1 318.417 1.925 20 10 DDCDMO Oc1ccc(CN2C[C@@H]3COC[C@H](C2)[N@H+]3C2CCCC2)cc1O ZINC001275820952 853813917 /nfs/dbraw/zinc/81/39/17/853813917.db2.gz BXAVBNJXTVYRAI-IYBDPMFKSA-N 1 1 318.417 1.925 20 10 DDCDMO Oc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C2CCCC2)cc1O ZINC001275820952 853813926 /nfs/dbraw/zinc/81/39/26/853813926.db2.gz BXAVBNJXTVYRAI-IYBDPMFKSA-N 1 1 318.417 1.925 20 10 DDCDMO Oc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C2CCCC2)cc1O ZINC001275820952 853813936 /nfs/dbraw/zinc/81/39/36/853813936.db2.gz BXAVBNJXTVYRAI-IYBDPMFKSA-N 1 1 318.417 1.925 20 10 DDCDMO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2c(O)cccc2F)O1 ZINC001137834609 859983870 /nfs/dbraw/zinc/98/38/70/859983870.db2.gz MTWBINPPYVCPHF-BPLDGKMQSA-N 1 1 308.353 1.351 20 10 DDCDMO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)cccc2F)O1 ZINC001137834609 859983875 /nfs/dbraw/zinc/98/38/75/859983875.db2.gz MTWBINPPYVCPHF-BPLDGKMQSA-N 1 1 308.353 1.351 20 10 DDCDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c([O-])cccc1F ZINC001137835323 859983961 /nfs/dbraw/zinc/98/39/61/859983961.db2.gz CQMGJDVYLSLXLK-JKSUJKDBSA-N 1 1 307.413 1.742 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CCNC(=O)CC2)c(OC)c1 ZINC001138388517 860084146 /nfs/dbraw/zinc/08/41/46/860084146.db2.gz WIFVTDLMIKNKKB-UHFFFAOYSA-N 1 1 305.422 1.863 20 10 DDCDMO CCN(CC)c1ccc(C[N@@H+]2CCNC(=O)CC2)c(OC)c1 ZINC001138388517 860084135 /nfs/dbraw/zinc/08/41/35/860084135.db2.gz WIFVTDLMIKNKKB-UHFFFAOYSA-N 1 1 305.422 1.863 20 10 DDCDMO c1cc(N2CCOCC2)ccc1C[NH+]1CC(N2CCOCC2)C1 ZINC001138497666 860118900 /nfs/dbraw/zinc/11/89/00/860118900.db2.gz NDTYTZUTDOTQTQ-UHFFFAOYSA-N 1 1 317.433 1.040 20 10 DDCDMO COc1cc(CN2CC[C@H](O)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139256291 860338565 /nfs/dbraw/zinc/33/85/65/860338565.db2.gz XYNYXMUDYGJELD-WFASDCNBSA-N 1 1 308.422 1.665 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](F)[C@@H](O)C3)cc2)CC1 ZINC001139404625 860388396 /nfs/dbraw/zinc/38/83/96/860388396.db2.gz RAXBRJAXMOAJDW-SJORKVTESA-N 1 1 307.413 1.343 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@@H](F)[C@@H](O)C3)cc2)CC1 ZINC001139404625 860388400 /nfs/dbraw/zinc/38/84/00/860388400.db2.gz RAXBRJAXMOAJDW-SJORKVTESA-N 1 1 307.413 1.343 20 10 DDCDMO Fc1cc(N2CCOCC2)ccc1CN1CC[N@H+]2CC[C@@H]2C1 ZINC001140667389 860670717 /nfs/dbraw/zinc/67/07/17/860670717.db2.gz QUGDGHBGDYPVAX-MRXNPFEDSA-N 1 1 305.397 1.552 20 10 DDCDMO Cc1c(O)ccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)c1O ZINC001140745246 860690326 /nfs/dbraw/zinc/69/03/26/860690326.db2.gz BIGJHVMTTXLICN-UHFFFAOYSA-N 1 1 319.449 1.618 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001140851056 860712983 /nfs/dbraw/zinc/71/29/83/860712983.db2.gz ZIBATKZMKYDYMM-RHSMWYFYSA-N 1 1 308.422 1.414 20 10 DDCDMO Oc1ccc(O)c(C[N@H+]2CC[C@]3(CCN3c3ncccn3)C2)c1 ZINC001141159612 860797975 /nfs/dbraw/zinc/79/79/75/860797975.db2.gz HYXLLGFHFMAWQK-KRWDZBQOSA-N 1 1 312.373 1.743 20 10 DDCDMO CN1CCN(c2ccc(CNC(=O)CC(C)(C)[NH3+])cc2)CC1 ZINC001330962143 864740854 /nfs/dbraw/zinc/74/08/54/864740854.db2.gz ZRAJNXDXQFJCRE-UHFFFAOYSA-N 1 1 304.438 1.182 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c1 ZINC001320057753 866449296 /nfs/dbraw/zinc/44/92/96/866449296.db2.gz DKWQLEUGRGUVAM-GFCCVEGCSA-N 1 1 304.390 1.891 20 10 DDCDMO COCC[N@@H+]1[C@H](C)CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1C ZINC001163177923 868192990 /nfs/dbraw/zinc/19/29/90/868192990.db2.gz VUCSCBUNSWCGBM-BETUJISGSA-N 1 1 322.405 1.208 20 10 DDCDMO CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccccc3O)C[C@H]21 ZINC001203552167 870636757 /nfs/dbraw/zinc/63/67/57/870636757.db2.gz CPWQLAKZAQADCT-HLLBOEOZSA-N 1 1 318.417 1.707 20 10 DDCDMO COc1ccc(C[N@H+]2CCCC[C@@]23CC(=O)N(C)C3)c(O)c1 ZINC001203623632 870679470 /nfs/dbraw/zinc/67/94/70/870679470.db2.gz VOJDUXOCAHWCQX-KRWDZBQOSA-N 1 1 304.390 1.988 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)cc(O)c1O ZINC001204351421 871071215 /nfs/dbraw/zinc/07/12/15/871071215.db2.gz QVDNBXGJFHCFCN-QWHCGFSZSA-N 1 1 320.389 1.549 20 10 DDCDMO CC(C)(CC[NH2+]Cc1cc(F)c(F)cc1O)S(C)(=O)=O ZINC001206314106 872203265 /nfs/dbraw/zinc/20/32/65/872203265.db2.gz NFFYLBNVXTXAIW-UHFFFAOYSA-N 1 1 307.362 1.973 20 10 DDCDMO COc1cccc(CNC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1O ZINC001346659628 873839727 /nfs/dbraw/zinc/83/97/27/873839727.db2.gz BLYGPRSLPGPERG-MGPQQGTHSA-N 1 1 319.405 1.540 20 10 DDCDMO CN1CCCc2cc(C[N@H+]3C[C@@H]4COC[C@H](C3)N4C)ccc21 ZINC001276577937 874372884 /nfs/dbraw/zinc/37/28/84/874372884.db2.gz GEPUDXSYPOUHKE-CALCHBBNSA-N 1 1 301.434 1.584 20 10 DDCDMO O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccc(O)cc1O ZINC001277192618 882927015 /nfs/dbraw/zinc/92/70/15/882927015.db2.gz RCBMARHTQCHPBW-MEDUHNTESA-N 1 1 314.345 1.424 20 10 DDCDMO O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(O)cc1O ZINC001277192618 882927026 /nfs/dbraw/zinc/92/70/26/882927026.db2.gz RCBMARHTQCHPBW-MEDUHNTESA-N 1 1 314.345 1.424 20 10 DDCDMO [NH3+][C@H](CC(=O)N[C@H]1CNCc2ccsc21)c1ccccc1O ZINC001219826953 878538703 /nfs/dbraw/zinc/53/87/03/878538703.db2.gz XHWWZRXUXFXTGY-OLZOCXBDSA-N 1 1 317.414 1.804 20 10 DDCDMO [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104867 880258366 /nfs/dbraw/zinc/25/83/66/880258366.db2.gz OOQIFBWRKDFTOP-UHFFFAOYSA-N 1 1 313.804 1.712 20 10 DDCDMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N(C)C)c(O)c1 ZINC001277457425 884516427 /nfs/dbraw/zinc/51/64/27/884516427.db2.gz NPACLWLLQAMOPX-XOIINTDNSA-N 1 1 318.417 1.947 20 10 DDCDMO COc1ccc(O)c(C[N@@H+]2CCc3cc(C(N)=O)[nH]c3C2)c1 ZINC001277462893 884743716 /nfs/dbraw/zinc/74/37/16/884743716.db2.gz DJOMLIWMMOJFSG-UHFFFAOYSA-N 1 1 301.346 1.386 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCc3cc(C(N)=O)[nH]c3C2)c1 ZINC001277462893 884743723 /nfs/dbraw/zinc/74/37/23/884743723.db2.gz DJOMLIWMMOJFSG-UHFFFAOYSA-N 1 1 301.346 1.386 20 10 DDCDMO COC(=O)C1(O)CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231854523 885907476 /nfs/dbraw/zinc/90/74/76/885907476.db2.gz FDPAHGQSYLQIHG-UHFFFAOYSA-N 1 1 322.405 1.261 20 10 DDCDMO COc1cc(Cl)cc(C[N@@H+]2CCc3nncn3CC2)c1O ZINC001233288142 886900834 /nfs/dbraw/zinc/90/08/34/886900834.db2.gz YTHLEOOQAXDTFB-UHFFFAOYSA-N 1 1 308.769 1.704 20 10 DDCDMO CC[N@H+](CCN1CCOCC1)Cc1c(O)ccc(F)c1F ZINC001233335160 886929910 /nfs/dbraw/zinc/92/99/10/886929910.db2.gz JXMUSMQDVRXIKG-UHFFFAOYSA-N 1 1 300.349 1.825 20 10 DDCDMO CC[N@@H+](CCN1CCOCC1)Cc1c(O)ccc(F)c1F ZINC001233335160 886929916 /nfs/dbraw/zinc/92/99/16/886929916.db2.gz JXMUSMQDVRXIKG-UHFFFAOYSA-N 1 1 300.349 1.825 20 10 DDCDMO OC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC[C@H]1O ZINC001233451882 886999266 /nfs/dbraw/zinc/99/92/66/886999266.db2.gz CLOYKQSBZYJILU-CMPLNLGQSA-N 1 1 305.296 1.586 20 10 DDCDMO Oc1cc(O)c(C[N@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)cc1O ZINC001233486373 887018217 /nfs/dbraw/zinc/01/82/17/887018217.db2.gz KUKKTPAXBIRPOD-AOOOYVTPSA-N 1 1 301.289 1.517 20 10 DDCDMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@@H](CO)C3)c2c1 ZINC001234526261 888055518 /nfs/dbraw/zinc/05/55/18/888055518.db2.gz RWOGNKHSFPAYTM-CQSZACIVSA-N 1 1 303.358 1.747 20 10 DDCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CNC(C)(C)O1 ZINC001235691051 888884959 /nfs/dbraw/zinc/88/49/59/888884959.db2.gz GTWKOHNZYUZDRL-KRWDZBQOSA-N 1 1 319.449 1.680 20 10 DDCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CNC(C)(C)O1 ZINC001235691051 888884970 /nfs/dbraw/zinc/88/49/70/888884970.db2.gz GTWKOHNZYUZDRL-KRWDZBQOSA-N 1 1 319.449 1.680 20 10 DDCDMO CC[N@@H+](CCN1CCOCC1)Cc1cc(OC)c(OC)cc1O ZINC001236752376 889331857 /nfs/dbraw/zinc/33/18/57/889331857.db2.gz PSFQQPPHHITSFB-UHFFFAOYSA-N 1 1 324.421 1.564 20 10 DDCDMO COc1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(O)c(OC)c1 ZINC001237669822 889793827 /nfs/dbraw/zinc/79/38/27/889793827.db2.gz OSIFDTHQNKJUCP-MRXNPFEDSA-N 1 1 309.362 1.401 20 10 DDCDMO COc1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)c(O)c(OC)c1 ZINC001237669822 889793836 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DDCDMO Cc1cc(C[NH+]2CCN(C(=O)[C@H](C)O)CC2)ccc1N(C)C ZINC000293838632 222769079 /nfs/dbraw/zinc/76/90/79/222769079.db2.gz QIVAKYBJOUPQKC-AWEZNQCLSA-N 1 1 305.422 1.086 20 10 DDCDMO CCCNC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976288 353187861 /nfs/dbraw/zinc/18/78/61/353187861.db2.gz PUNSWNDLRCIFNN-HNNXBMFYSA-N 1 1 306.406 1.899 20 10 DDCDMO CCCNC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976288 353187864 /nfs/dbraw/zinc/18/78/64/353187864.db2.gz PUNSWNDLRCIFNN-HNNXBMFYSA-N 1 1 306.406 1.899 20 10 DDCDMO Cc1ccc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)c(O)c1O ZINC000272744301 130060318 /nfs/dbraw/zinc/06/03/18/130060318.db2.gz MSHGTURMUAKNJF-UHFFFAOYSA-N 1 1 316.361 1.102 20 10 DDCDMO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(O)c1O ZINC000367966555 292056794 /nfs/dbraw/zinc/05/67/94/292056794.db2.gz ZQDMHSZFDFHJMZ-KBPBESRZSA-N 1 1 320.389 1.077 20 10 DDCDMO Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c(O)c1O ZINC000378576766 292068483 /nfs/dbraw/zinc/06/84/83/292068483.db2.gz 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Cc1nc([C@H]2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)n[nH]1 ZINC000271278159 407612337 /nfs/dbraw/zinc/61/23/37/407612337.db2.gz LKTUVJUQKUYZHU-NSHDSACASA-N 1 1 316.361 1.927 20 10 DDCDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CSC[NH2+]1 ZINC000237222815 407807498 /nfs/dbraw/zinc/80/74/98/407807498.db2.gz UOXMKAHWSPVNEU-OAHLLOKOSA-N 1 1 321.446 1.144 20 10 DDCDMO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000273466079 408211786 /nfs/dbraw/zinc/21/17/86/408211786.db2.gz DTFDRDOYVQGASB-GXTWGEPZSA-N 1 1 322.405 1.550 20 10 DDCDMO C[NH+](C)CCN1CCC(CNC(=O)c2cccc(O)c2O)CC1 ZINC000193074679 408689217 /nfs/dbraw/zinc/68/92/17/408689217.db2.gz RQEUNOXMIIUNEJ-UHFFFAOYSA-N 1 1 321.421 1.101 20 10 DDCDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000281215572 408876053 /nfs/dbraw/zinc/87/60/53/408876053.db2.gz UPLNVAQQJCNWEQ-OAHLLOKOSA-N 1 1 323.349 1.267 20 10 DDCDMO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000281215572 408876054 /nfs/dbraw/zinc/87/60/54/408876054.db2.gz UPLNVAQQJCNWEQ-OAHLLOKOSA-N 1 1 323.349 1.267 20 10 DDCDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000281215572 408876057 /nfs/dbraw/zinc/87/60/57/408876057.db2.gz UPLNVAQQJCNWEQ-OAHLLOKOSA-N 1 1 323.349 1.267 20 10 DDCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)NCC(=O)OC ZINC000282433092 409053497 /nfs/dbraw/zinc/05/34/97/409053497.db2.gz KFMHYFMKVGJJGD-CYBMUJFWSA-N 1 1 322.405 1.672 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H](C)C[S@](C)=O)ccc1[N+](=O)[O-] ZINC000278295164 409078674 /nfs/dbraw/zinc/07/86/74/409078674.db2.gz CBETYUPLDAQDFY-FHZGZLOMSA-N 1 1 302.352 1.166 20 10 DDCDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cccc(C)c2O)C1 ZINC000278745580 409088339 /nfs/dbraw/zinc/08/83/39/409088339.db2.gz RQOSBRUCPWUEGM-HOCLYGCPSA-N 1 1 309.406 1.546 20 10 DDCDMO COc1c(O)c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000280175798 409263827 /nfs/dbraw/zinc/26/38/27/409263827.db2.gz GKVDATSKXXFGDC-AWEZNQCLSA-N 1 1 309.322 1.006 20 10 DDCDMO COc1c(O)c(C[N@H+]2CC[C@](C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000280175798 409263829 /nfs/dbraw/zinc/26/38/29/409263829.db2.gz GKVDATSKXXFGDC-AWEZNQCLSA-N 1 1 309.322 1.006 20 10 DDCDMO OC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H]1CCOC1 ZINC000294823167 409303682 /nfs/dbraw/zinc/30/36/82/409303682.db2.gz XRLIKBFJUGJGDE-MWLCHTKSSA-N 1 1 303.761 1.919 20 10 DDCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1O ZINC000295581168 409354055 /nfs/dbraw/zinc/35/40/55/409354055.db2.gz ZKOIQXFAEUMKQA-HOTGVXAUSA-N 1 1 322.380 1.639 20 10 DDCDMO COc1cc(O)c(C[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1OC ZINC000378460392 418722976 /nfs/dbraw/zinc/72/29/76/418722976.db2.gz WDCMGDSMEFLURI-GFCCVEGCSA-N 1 1 303.362 1.780 20 10 DDCDMO O=C(N[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1)C1CCC1 ZINC000369069377 418727765 /nfs/dbraw/zinc/72/77/65/418727765.db2.gz ZRHISCKWFUHPSX-ZDUSSCGKSA-N 1 1 318.373 1.612 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CCc3nnc(N)cc3C2)cc1OC ZINC000371426756 418791575 /nfs/dbraw/zinc/79/15/75/418791575.db2.gz 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DDCDMO COc1c(O)c(C[NH2+]CCc2nc(C)n[nH]2)ccc1[N+](=O)[O-] ZINC000775055986 697958705 /nfs/dbraw/zinc/95/87/05/697958705.db2.gz JMPBXECMIOWONE-UHFFFAOYSA-N 1 1 307.310 1.068 20 10 DDCDMO COc1c(O)c(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000775075851 697960722 /nfs/dbraw/zinc/96/07/22/697960722.db2.gz PPCWQHDWHMUTNR-GHMZBOCLSA-N 1 1 309.366 1.833 20 10 DDCDMO COCC[N@H+]1CCC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779514756 698429310 /nfs/dbraw/zinc/42/93/10/698429310.db2.gz MOGBHMOJTDPVOS-HZRUHFOJSA-N 1 1 320.389 1.338 20 10 DDCDMO COC(=O)c1cn(C2C[NH+](Cc3cccc(C)c3O)C2)nn1 ZINC000779613196 698442659 /nfs/dbraw/zinc/44/26/59/698442659.db2.gz JHAFLXUWUYMKEH-UHFFFAOYSA-N 1 1 302.334 1.136 20 10 DDCDMO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1COCC[C@H]1O ZINC000715744037 699276724 /nfs/dbraw/zinc/27/67/24/699276724.db2.gz DKMZNQJKRUYCED-GHMZBOCLSA-N 1 1 320.158 1.533 20 10 DDCDMO CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000790758718 699595474 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NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809784655 701689297 /nfs/dbraw/zinc/68/92/97/701689297.db2.gz JSFPQDDCWZBOTI-AWEZNQCLSA-N 1 1 321.396 1.360 20 10 DDCDMO COC(=O)[C@H](C)C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CC1 ZINC000768450249 701177885 /nfs/dbraw/zinc/17/78/85/701177885.db2.gz JHTHVPHGLPAHIP-BMIGLBTASA-N 1 1 321.373 1.592 20 10 DDCDMO COC(=O)CC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C(C)C ZINC000768449631 701178069 /nfs/dbraw/zinc/17/80/69/701178069.db2.gz XENBFEGMNFBPPW-AWEZNQCLSA-N 1 1 309.362 1.592 20 10 DDCDMO C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1O ZINC000768771161 701201408 /nfs/dbraw/zinc/20/14/08/701201408.db2.gz VWKIIEAZYIBEML-BBRMVZONSA-N 1 1 305.422 1.024 20 10 DDCDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841019337 702312689 /nfs/dbraw/zinc/31/26/89/702312689.db2.gz IALPLLUVCDYSAK-CHWSQXEVSA-N 1 1 318.421 1.444 20 10 DDCDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841047274 702322446 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CC[N@H+]1CCO[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000080987026 353643005 /nfs/dbraw/zinc/64/30/05/353643005.db2.gz JDVGSBBEUOQRIJ-MRXNPFEDSA-N 1 1 305.422 1.432 20 10 DDCDMO CCCOc1ccc(C[N@@H+]2C[C@@H](OC)C[C@H]2C(N)=O)c(O)c1 ZINC000284450518 131081661 /nfs/dbraw/zinc/08/16/61/131081661.db2.gz BKXLECWXNYYIQH-KBPBESRZSA-N 1 1 308.378 1.256 20 10 DDCDMO CCCOc1ccc(C[N@H+]2C[C@@H](OC)C[C@H]2C(N)=O)c(O)c1 ZINC000284450518 131081662 /nfs/dbraw/zinc/08/16/62/131081662.db2.gz BKXLECWXNYYIQH-KBPBESRZSA-N 1 1 308.378 1.256 20 10 DDCDMO CC[C@@H]([NH2+]CCN1CCN(C(C)=O)CC1)c1ccc(F)cc1O ZINC000285721782 131196416 /nfs/dbraw/zinc/19/64/16/131196416.db2.gz QDHLNOOQXNOYQU-MRXNPFEDSA-N 1 1 323.412 1.736 20 10 DDCDMO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000289584064 131398048 /nfs/dbraw/zinc/39/80/48/131398048.db2.gz UCGQFHZWRWYFBJ-AWEZNQCLSA-N 1 1 312.435 1.556 20 10 DDCDMO CC[C@H](C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000299504689 132109022 /nfs/dbraw/zinc/10/90/22/132109022.db2.gz OYOXTDQWXJLXDR-HNNXBMFYSA-N 1 1 319.449 1.980 20 10 DDCDMO COc1ccc(O)c(C[NH+]2CCN(CC(=O)NC(C)C)CC2)c1 ZINC000179600307 407811901 /nfs/dbraw/zinc/81/19/01/407811901.db2.gz SOKUDWGUUXGGEY-UHFFFAOYSA-N 1 1 321.421 1.043 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000172963253 407856271 /nfs/dbraw/zinc/85/62/71/407856271.db2.gz YWFHQEDVIKEHKW-IYBDPMFKSA-N 1 1 301.434 1.957 20 10 DDCDMO COc1cccc(CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1O ZINC000173848174 407901019 /nfs/dbraw/zinc/90/10/19/407901019.db2.gz VLPFOEXVAWQQSC-CYBMUJFWSA-N 1 1 321.421 1.932 20 10 DDCDMO CCC[N@@H+](CC(=O)N(C)CC(=O)OCC)Cc1ccccc1O ZINC000264614056 408541347 /nfs/dbraw/zinc/54/13/47/408541347.db2.gz LHSVTZKMPWFLIC-UHFFFAOYSA-N 1 1 322.405 1.626 20 10 DDCDMO CC(C)OCC[NH+]1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000169270704 408819992 /nfs/dbraw/zinc/81/99/92/408819992.db2.gz SLBXQMCHKCAKGV-UHFFFAOYSA-N 1 1 305.422 1.381 20 10 DDCDMO CC(C)NS(=O)(=O)CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293507390 409127340 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CCOc1cccc(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)c1O ZINC000271206146 222451046 /nfs/dbraw/zinc/45/10/46/222451046.db2.gz ZXFPMGSCZHFXHI-UHFFFAOYSA-N 1 1 321.421 1.172 20 10 DDCDMO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(O)c1O ZINC000367966558 418664733 /nfs/dbraw/zinc/66/47/33/418664733.db2.gz ZQDMHSZFDFHJMZ-ZIAGYGMSSA-N 1 1 320.389 1.077 20 10 DDCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000368051957 418680047 /nfs/dbraw/zinc/68/00/47/418680047.db2.gz RHMMVXDAFDKMIV-BLLLJJGKSA-N 1 1 303.362 1.517 20 10 DDCDMO O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000376829518 418701578 /nfs/dbraw/zinc/70/15/78/418701578.db2.gz UOKIBGHNBWSKLW-HNNXBMFYSA-N 1 1 312.369 1.989 20 10 DDCDMO O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000376829518 418701581 /nfs/dbraw/zinc/70/15/81/418701581.db2.gz UOKIBGHNBWSKLW-HNNXBMFYSA-N 1 1 312.369 1.989 20 10 DDCDMO O=C([C@@H]1CCCO1)N1CCC[N@H+](Cc2cccc(F)c2[O-])CC1 ZINC000378503066 418724109 /nfs/dbraw/zinc/72/41/09/418724109.db2.gz 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CN1CCN(c2ccc(C[NH2+]Cc3ccc[nH]c3=O)cc2)CC1 ZINC000858304251 704692026 /nfs/dbraw/zinc/69/20/26/704692026.db2.gz LOQXHOQLWYGBMM-UHFFFAOYSA-N 1 1 312.417 1.829 20 10 DDCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1Cl ZINC000825509156 705684010 /nfs/dbraw/zinc/68/40/10/705684010.db2.gz GJLYXYVDLNBIJB-NSHDSACASA-N 1 1 318.826 1.607 20 10 DDCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1Cl ZINC000825509156 705684014 /nfs/dbraw/zinc/68/40/14/705684014.db2.gz GJLYXYVDLNBIJB-NSHDSACASA-N 1 1 318.826 1.607 20 10 DDCDMO C[N@@H+](Cc1cc(Br)ccc1O)[C@]1(CO)CCOC1 ZINC000862426931 705715980 /nfs/dbraw/zinc/71/59/80/705715980.db2.gz QKHABBWZPCLOQY-ZDUSSCGKSA-N 1 1 316.195 1.738 20 10 DDCDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876511896 705740783 /nfs/dbraw/zinc/74/07/83/705740783.db2.gz WDHTZWZCPBUCDC-OAHLLOKOSA-N 1 1 317.433 1.345 20 10 DDCDMO CCOc1ccc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c(O)c1 ZINC000826844864 705883865 /nfs/dbraw/zinc/88/38/65/705883865.db2.gz ASRNJFKZHIACEX-CYBMUJFWSA-N 1 1 302.378 1.905 20 10 DDCDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)C[C@@H](C)O1 ZINC000863305470 705896430 /nfs/dbraw/zinc/89/64/30/705896430.db2.gz DXJODXIYRVGOSY-ABAIWWIYSA-N 1 1 309.362 1.472 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)c(C)cc2O)C[C@@H](C)O1 ZINC000863305470 705896433 /nfs/dbraw/zinc/89/64/33/705896433.db2.gz DXJODXIYRVGOSY-ABAIWWIYSA-N 1 1 309.362 1.472 20 10 DDCDMO NC(=O)C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000863325756 705902693 /nfs/dbraw/zinc/90/26/93/705902693.db2.gz FFEROVAUXIXUNH-HNNXBMFYSA-N 1 1 304.390 1.347 20 10 DDCDMO CCOc1ccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(O)c1 ZINC000827139971 705938717 /nfs/dbraw/zinc/93/87/17/705938717.db2.gz FQTXJUSFMSZEGT-DOMZBBRYSA-N 1 1 304.390 1.891 20 10 DDCDMO C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000863550436 705955018 /nfs/dbraw/zinc/95/50/18/705955018.db2.gz BPWKNVYOGFWAFK-UHFFFAOYSA-N 1 1 314.813 1.916 20 10 DDCDMO C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] 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1.929 20 10 DDCDMO OC1CCN(c2ccc(C[N@H+]3CCc4n[nH]cc4C3)cc2)CC1 ZINC000877649243 706170064 /nfs/dbraw/zinc/17/00/64/706170064.db2.gz RIPVPWVRVLUYMA-UHFFFAOYSA-N 1 1 312.417 1.929 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000877750035 706198637 /nfs/dbraw/zinc/19/86/37/706198637.db2.gz FQADDAFHALKOLY-CABCVRRESA-N 1 1 309.406 1.626 20 10 DDCDMO COCC[NH+]1CCC([NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000882923659 707852519 /nfs/dbraw/zinc/85/25/19/707852519.db2.gz KGNDTZWTLDFFIC-UHFFFAOYSA-N 1 1 300.349 1.871 20 10 DDCDMO CCOCCOC[C@@H](O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883102196 707927207 /nfs/dbraw/zinc/92/72/07/707927207.db2.gz JFXYAQJMHDKBHL-LBPRGKRZSA-N 1 1 305.321 1.174 20 10 DDCDMO CN(C)c1ccc([C@@H](CNC(=O)C2(N(C)C)CC2)[NH+](C)C)cc1 ZINC000891249611 710141920 /nfs/dbraw/zinc/14/19/20/710141920.db2.gz ROYOLYYBWHJHKQ-MRXNPFEDSA-N 1 1 318.465 1.566 20 10 DDCDMO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3c[nH]cn3)cc2)C1 ZINC000894384512 711097644 /nfs/dbraw/zinc/09/76/44/711097644.db2.gz HKVMMFJYAKBOEO-AWEZNQCLSA-N 1 1 313.405 1.401 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@](O)(C(=O)OC)C2)cc1 ZINC000895706544 711584100 /nfs/dbraw/zinc/58/41/00/711584100.db2.gz GGIMTJPCKXHURH-QGZVFWFLSA-N 1 1 306.406 1.643 20 10 DDCDMO C[N@H+]1C[C@@H]2CN(Cc3cc4c(cc3O)OC[C@H]4O)C[C@]2(C)C1 ZINC000904436423 711858279 /nfs/dbraw/zinc/85/82/79/711858279.db2.gz KZZYQIFOMOXPQR-VMGRFDJRSA-N 1 1 304.390 1.202 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3COC[C@@H]3C3CC3)cc2)CC1 ZINC000914436180 713395472 /nfs/dbraw/zinc/39/54/72/713395472.db2.gz QQUNWGXVTPEFDP-RTBURBONSA-N 1 1 315.461 1.953 20 10 DDCDMO C[C@H]1[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CC[N@H+]1C ZINC000915390801 713418055 /nfs/dbraw/zinc/41/80/55/713418055.db2.gz QMZWZBUSYDENMF-XJKSGUPXSA-N 1 1 316.449 1.961 20 10 DDCDMO CN(C)c1[nH+]cc(CNC(=O)NCc2c(O)cccc2F)n1C ZINC000921364336 713745039 /nfs/dbraw/zinc/74/50/39/713745039.db2.gz CXSLRQYTQBRMDU-UHFFFAOYSA-N 1 1 321.356 1.330 20 10 DDCDMO NC(=O)C[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000690723277 733717434 /nfs/dbraw/zinc/71/74/34/733717434.db2.gz JFBZPEMVLWXGLC-VIFPVBQESA-N 1 1 313.195 1.852 20 10 DDCDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000690723277 733717436 /nfs/dbraw/zinc/71/74/36/733717436.db2.gz JFBZPEMVLWXGLC-VIFPVBQESA-N 1 1 313.195 1.852 20 10 DDCDMO COc1cc(C(=O)NC2C[NH+](CCC3CC3)C2)cc(OC)n1 ZINC001030612566 744325390 /nfs/dbraw/zinc/32/53/90/744325390.db2.gz ULXORGJJENDLEI-UHFFFAOYSA-N 1 1 305.378 1.313 20 10 DDCDMO CN(C)C(=O)C[N@@H+](C)Cc1ccc(Br)cc1O ZINC000691681873 744868581 /nfs/dbraw/zinc/86/85/81/744868581.db2.gz ZAYUXWNXLMTXKD-UHFFFAOYSA-N 1 1 301.184 1.675 20 10 DDCDMO COc1ccc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)c(O)c1OC ZINC001120040161 758202013 /nfs/dbraw/zinc/20/20/13/758202013.db2.gz AACQXVIEYDOFFJ-WIUDPPPLSA-N 1 1 313.419 1.610 20 10 DDCDMO COc1ccc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)c(O)c1OC ZINC001120040161 758202021 /nfs/dbraw/zinc/20/20/21/758202021.db2.gz AACQXVIEYDOFFJ-WIUDPPPLSA-N 1 1 313.419 1.610 20 10 DDCDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CC[C@@H]21 ZINC001137305494 759510232 /nfs/dbraw/zinc/51/02/32/759510232.db2.gz LWVWFNDQWWOTLZ-KBPBESRZSA-N 1 1 304.390 1.583 20 10 DDCDMO C[NH+]1CCN(c2ncc(NCc3ccc(O)c(O)c3)cn2)CC1 ZINC001169994754 763620663 /nfs/dbraw/zinc/62/06/63/763620663.db2.gz GUHJJSDAZPWVNP-UHFFFAOYSA-N 1 1 315.377 1.252 20 10 DDCDMO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144510288 772557227 /nfs/dbraw/zinc/55/72/27/772557227.db2.gz WOPWTTMVHZPCOV-NSHDSACASA-N 1 1 319.361 1.278 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@H+](C)CCNS(C)(=O)=O)cc1 ZINC001117783066 780899422 /nfs/dbraw/zinc/89/94/22/780899422.db2.gz VDPMZSYQIOORLE-AATRIKPKSA-N 1 1 311.451 1.247 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)CCNS(C)(=O)=O)cc1 ZINC001117783066 780899433 /nfs/dbraw/zinc/89/94/33/780899433.db2.gz VDPMZSYQIOORLE-AATRIKPKSA-N 1 1 311.451 1.247 20 10 DDCDMO CCOc1cccc(C[N@H+]2CC[C@]3(CCN(C)C3=O)C2)c1O ZINC001272625215 846422882 /nfs/dbraw/zinc/42/28/82/846422882.db2.gz IQUSUBMVXXPRQL-QGZVFWFLSA-N 1 1 304.390 1.845 20 10 DDCDMO CN1C[C@@]2(CC[N@@H+](Cc3c(O)cccc3Cl)C2)OCC1=O ZINC001273107554 847922005 /nfs/dbraw/zinc/92/20/05/847922005.db2.gz BGDYAQXQDOVEFT-OAHLLOKOSA-N 1 1 310.781 1.479 20 10 DDCDMO COCCOCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(C)c1O ZINC001276079675 854712229 /nfs/dbraw/zinc/71/22/29/854712229.db2.gz DHDUAPXERLBAGR-IRXDYDNUSA-N 1 1 320.433 1.970 20 10 DDCDMO Cc1cccc(C[N@@H+]2CCN(C)C[C@@]3(CCCC(=O)N3)C2)c1O ZINC001276080930 854715478 /nfs/dbraw/zinc/71/54/78/854715478.db2.gz YFEHDZRHOYBYGT-SFHVURJKSA-N 1 1 317.433 1.487 20 10 DDCDMO COc1ccnc(O[C@@H]2CC[N@H+](Cc3cccc(F)c3O)C2)n1 ZINC001138130884 860012913 /nfs/dbraw/zinc/01/29/13/860012913.db2.gz KJEBXPDPNYCYEU-GFCCVEGCSA-N 1 1 319.336 1.983 20 10 DDCDMO COc1ccnc(O[C@@H]2CC[N@@H+](Cc3cccc(F)c3O)C2)n1 ZINC001138130884 860012921 /nfs/dbraw/zinc/01/29/21/860012921.db2.gz KJEBXPDPNYCYEU-GFCCVEGCSA-N 1 1 319.336 1.983 20 10 DDCDMO O=C1NC[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]12 ZINC001138498838 860119466 /nfs/dbraw/zinc/11/94/66/860119466.db2.gz HPMVOKNUTMPJDQ-RDJZCZTQSA-N 1 1 315.417 1.091 20 10 DDCDMO COc1cc(CN2C[C@@H]3CCO[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139257827 860338173 /nfs/dbraw/zinc/33/81/73/860338173.db2.gz HSPXCUCWOIUOQV-XJKSGUPXSA-N 1 1 306.406 1.683 20 10 DDCDMO CN1CCN(c2ccc(CN3CC([NH+]4CCCC4)C3)cc2)CC1 ZINC001139409902 860391251 /nfs/dbraw/zinc/39/12/51/860391251.db2.gz UNOFHXOJSPNMFX-UHFFFAOYSA-N 1 1 314.477 1.718 20 10 DDCDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1O ZINC001140053971 860565624 /nfs/dbraw/zinc/56/56/24/860565624.db2.gz HCOLHYLDMMUUKO-JKSUJKDBSA-N 1 1 307.413 1.742 20 10 DDCDMO COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140338093 860621470 /nfs/dbraw/zinc/62/14/70/860621470.db2.gz UVPAWCDQHPFVFL-BONVTDFDSA-N 1 1 311.765 1.667 20 10 DDCDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C[C@@H]1O ZINC001140660553 860669781 /nfs/dbraw/zinc/66/97/81/860669781.db2.gz VVXZMEQCHQXLSZ-DYVFJYSZSA-N 1 1 308.397 1.865 20 10 DDCDMO CNC(=O)CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1F ZINC001140661395 860669792 /nfs/dbraw/zinc/66/97/92/860669792.db2.gz CSCKMLZCKCKEHG-UHFFFAOYSA-N 1 1 309.385 1.230 20 10 DDCDMO COc1cc(O)c(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c(OC)c1 ZINC001141026612 860765603 /nfs/dbraw/zinc/76/56/03/860765603.db2.gz XCQGWWSTWANCKQ-RISCZKNCSA-N 1 1 315.316 1.875 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@H](N3CCOCC3)C2)c(OC)c1 ZINC001141028419 860765801 /nfs/dbraw/zinc/76/58/01/860765801.db2.gz NRGDRLBGDBZYHA-ZDUSSCGKSA-N 1 1 322.405 1.316 20 10 DDCDMO CN1CCOc2cc(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)ccc21 ZINC001141140117 860793921 /nfs/dbraw/zinc/79/39/21/860793921.db2.gz IRTXNSJRGQMOKP-CQSZACIVSA-N 1 1 308.422 1.469 20 10 DDCDMO CCOc1ccc(N2CC[NH+]([C@H]3CCN(CC)C3=O)CC2)cc1 ZINC001329876962 863914141 /nfs/dbraw/zinc/91/41/41/863914141.db2.gz QEYHYHDQIMIZKD-KRWDZBQOSA-N 1 1 317.433 1.828 20 10 DDCDMO COCCC[N@@H+](C)CCNC(=O)N1Cc2cccc(O)c2C1 ZINC001332708019 866084129 /nfs/dbraw/zinc/08/41/29/866084129.db2.gz CVVCMFBJEFAYDM-UHFFFAOYSA-N 1 1 307.394 1.386 20 10 DDCDMO CN(Cc1cc[nH]n1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319715011 866245985 /nfs/dbraw/zinc/24/59/85/866245985.db2.gz ASDVYGSZVMTAMX-UHFFFAOYSA-N 1 1 317.412 1.933 20 10 DDCDMO C[N@@H+](CCNS(C)(=O)=O)Cc1ccc(N2CCCC2)cc1 ZINC001320497242 866776839 /nfs/dbraw/zinc/77/68/39/866776839.db2.gz CNXWTHOQZDMTON-UHFFFAOYSA-N 1 1 311.451 1.268 20 10 DDCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1Cl ZINC001333908204 867144392 /nfs/dbraw/zinc/14/43/92/867144392.db2.gz MHNACWLPAGKSDK-JSGCOSHPSA-N 1 1 310.781 1.443 20 10 DDCDMO Oc1cc2c(cc1CN1CCC[N@H+]3CCC[C@@H]3C1)[C@H](O)CO2 ZINC001324716638 867473131 /nfs/dbraw/zinc/47/31/31/867473131.db2.gz OUJHMLALCIZYSB-CZUORRHYSA-N 1 1 304.390 1.488 20 10 DDCDMO NC(=O)C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001335329715 868232088 /nfs/dbraw/zinc/23/20/88/868232088.db2.gz NLWDFJDSIXRTSF-MRXNPFEDSA-N 1 1 303.406 1.363 20 10 DDCDMO NC(=O)C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001335329715 868232097 /nfs/dbraw/zinc/23/20/97/868232097.db2.gz NLWDFJDSIXRTSF-MRXNPFEDSA-N 1 1 303.406 1.363 20 10 DDCDMO COc1ccc(N2CC[NH+](CCNc3nc(C)no3)CC2)cc1 ZINC001336502076 868978097 /nfs/dbraw/zinc/97/80/97/868978097.db2.gz PZRHOEXLNDYURE-UHFFFAOYSA-N 1 1 317.393 1.621 20 10 DDCDMO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccccc2O)C[C@@H](O)C1 ZINC001203550548 870636992 /nfs/dbraw/zinc/63/69/92/870636992.db2.gz YUHBCDLXNVTVBV-CQSZACIVSA-N 1 1 322.405 1.806 20 10 DDCDMO COc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c1O ZINC001203602065 870664088 /nfs/dbraw/zinc/66/40/88/870664088.db2.gz YZDICMPSOKYPFY-OCCSQVGLSA-N 1 1 304.390 1.844 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c1 ZINC001203684168 870711270 /nfs/dbraw/zinc/71/12/70/870711270.db2.gz NYJOMOIFKCSWOJ-DOMZBBRYSA-N 1 1 304.390 1.844 20 10 DDCDMO CN(C)c1cc(F)c(C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)cc1F ZINC001308983136 871544819 /nfs/dbraw/zinc/54/48/19/871544819.db2.gz LWHFNEWCOIPQBE-WCQYABFASA-N 1 1 314.376 1.454 20 10 DDCDMO [NH3+]C[C@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)C[C@@H]1O ZINC001206525641 872412793 /nfs/dbraw/zinc/41/27/93/872412793.db2.gz WONHMSGGJCLRPW-IRXDYDNUSA-N 1 1 301.434 1.137 20 10 DDCDMO Oc1cc(O)c(C[NH+]2CC3(CN(Cc4ccc[nH]4)C3)C2)cc1O ZINC001276516589 873123221 /nfs/dbraw/zinc/12/32/21/873123221.db2.gz IYZWUNSSHNSUPV-UHFFFAOYSA-N 1 1 315.373 1.449 20 10 DDCDMO CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1cc(O)c(O)cc1O)C2 ZINC001276516873 873126111 /nfs/dbraw/zinc/12/61/11/873126111.db2.gz TUBFLNWLSSHTPR-UHFFFAOYSA-N 1 1 321.377 1.039 20 10 DDCDMO CN(C)c1ccc(CNC(=O)N[C@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC001346655623 873838013 /nfs/dbraw/zinc/83/80/13/873838013.db2.gz QHPCOJXUKWYMGD-XIRDDKMYSA-N 1 1 316.449 1.892 20 10 DDCDMO CN1CCN(c2ccc(CNC(=O)C[NH2+]CC3CC3)cc2)CC1 ZINC001353148061 877150362 /nfs/dbraw/zinc/15/03/62/877150362.db2.gz XKYQVYKKCWFTSY-UHFFFAOYSA-N 1 1 316.449 1.054 20 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/nfs/dbraw/zinc/28/08/02/539280802.db2.gz OJCVDVDAEHZTGA-CYBMUJFWSA-N 1 1 314.363 1.267 20 10 DDCDMO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)N(C)C)CC2)cc1 ZINC000052465174 352611754 /nfs/dbraw/zinc/61/17/54/352611754.db2.gz QIPMLVFBHDCOES-CQSZACIVSA-N 1 1 305.422 1.684 20 10 DDCDMO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273366659 130112225 /nfs/dbraw/zinc/11/22/25/130112225.db2.gz BNGQBOJMTVQJAR-MEDUHNTESA-N 1 1 311.378 1.617 20 10 DDCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c1O ZINC000279494886 130748933 /nfs/dbraw/zinc/74/89/33/130748933.db2.gz VIIKVNLCKGRRAR-HNNXBMFYSA-N 1 1 310.781 1.766 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(C)(C)OCCO)c1 ZINC000287303957 131274743 /nfs/dbraw/zinc/27/47/43/131274743.db2.gz KUZWGMXGWUJMKW-NSHDSACASA-N 1 1 311.378 1.617 20 10 DDCDMO COc1cc(O)c(CN2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1OC ZINC000364905181 286238908 /nfs/dbraw/zinc/23/89/08/286238908.db2.gz MVQNSJZZUSZQNC-TZMCWYRMSA-N 1 1 306.406 1.935 20 10 DDCDMO COCC[N@@H+](C)CCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000031096374 406937394 /nfs/dbraw/zinc/93/73/94/406937394.db2.gz UAKXWWDMHBUWKV-UHFFFAOYSA-N 1 1 322.453 1.520 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000093663786 407201118 /nfs/dbraw/zinc/20/11/18/407201118.db2.gz OQLIYRCITYDUPK-QGZVFWFLSA-N 1 1 303.450 1.907 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](OCCO)C2)cc1OC ZINC000271756806 407732668 /nfs/dbraw/zinc/73/26/68/407732668.db2.gz XNGUACQADROKOC-CYBMUJFWSA-N 1 1 311.378 1.383 20 10 DDCDMO COc1cccc(CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1O ZINC000268130326 407904524 /nfs/dbraw/zinc/90/45/24/407904524.db2.gz IDZRPQMPHYUDEP-RISCZKNCSA-N 1 1 319.405 1.683 20 10 DDCDMO COC(=O)CN1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000121388974 408198483 /nfs/dbraw/zinc/19/84/83/408198483.db2.gz WNKRJLJOVCVFFB-UHFFFAOYSA-N 1 1 312.797 1.726 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](CO)C2)cc1 ZINC000263866132 408291336 /nfs/dbraw/zinc/29/13/36/408291336.db2.gz KQYHYTDBVQMXFW-HNNXBMFYSA-N 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/nfs/dbraw/zinc/41/68/59/418416859.db2.gz WWPLYNZSFRCFDD-GOSISDBHSA-N 1 1 302.418 1.870 20 10 DDCDMO CCOc1cccc(CN2CCC[N@H+]([C@@H](C)CO)CC2)c1O ZINC000373735200 418452569 /nfs/dbraw/zinc/45/25/69/418452569.db2.gz YCJQRQFLYSXEBH-AWEZNQCLSA-N 1 1 308.422 1.679 20 10 DDCDMO CCOc1cccc(C[N@@H+]2CCCN([C@@H](C)CO)CC2)c1O ZINC000373735200 418452573 /nfs/dbraw/zinc/45/25/73/418452573.db2.gz YCJQRQFLYSXEBH-AWEZNQCLSA-N 1 1 308.422 1.679 20 10 DDCDMO CCOc1cccc(C[N@H+]2CCCN([C@@H](C)CO)CC2)c1O ZINC000373735200 418452576 /nfs/dbraw/zinc/45/25/76/418452576.db2.gz YCJQRQFLYSXEBH-AWEZNQCLSA-N 1 1 308.422 1.679 20 10 DDCDMO COc1ccnc(N2CCC[N@@H+](Cc3ccccc3O)CC2)n1 ZINC000374260751 418510829 /nfs/dbraw/zinc/51/08/29/418510829.db2.gz YNHYQQMNYKYXNA-UHFFFAOYSA-N 1 1 314.389 1.903 20 10 DDCDMO c1nc2c([nH]1)CC[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC000368092017 418688682 /nfs/dbraw/zinc/68/86/82/418688682.db2.gz ZFQHVBNWCZCVDQ-HNNXBMFYSA-N 1 1 312.417 1.893 20 10 DDCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@]2(CCCOC2)O1 ZINC000369092693 418728602 /nfs/dbraw/zinc/72/86/02/418728602.db2.gz CFAFZQFGNWTKIE-PXAZEXFGSA-N 1 1 321.373 1.891 20 10 DDCDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cc(C)ccc3O)CCN2C1=O ZINC000362007653 418738580 /nfs/dbraw/zinc/73/85/80/418738580.db2.gz BEJOXBMOWWBCAR-ZDUSSCGKSA-N 1 1 303.362 1.169 20 10 DDCDMO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000368592614 418722830 /nfs/dbraw/zinc/72/28/30/418722830.db2.gz LWPIRJSIKKXWGE-CQSZACIVSA-N 1 1 303.406 1.234 20 10 DDCDMO CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O ZINC000368964358 418726411 /nfs/dbraw/zinc/72/64/11/418726411.db2.gz OHEHWCWLRIANHP-CORIIIEPSA-N 1 1 304.390 1.877 20 10 DDCDMO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)c2cc(OC)ccc2O)C1 ZINC000372587836 418885961 /nfs/dbraw/zinc/88/59/61/418885961.db2.gz AGVRHPFNZLCKEK-ZYHUDNBSSA-N 1 1 314.407 1.085 20 10 DDCDMO COc1ccc(O)c([C@H](C)[NH+]2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000372598925 418886066 /nfs/dbraw/zinc/88/60/66/418886066.db2.gz FCQFIPYIPUQLJF-FDQGKXFDSA-N 1 1 320.433 1.993 20 10 DDCDMO O=C1COc2cc([N+](=O)[O-])c(N3CC[NH+](C4CC4)CC3)cc2N1 ZINC000301698242 275019362 /nfs/dbraw/zinc/01/93/62/275019362.db2.gz QYNUAJGDEVYAMV-UHFFFAOYSA-N 1 1 318.333 1.210 20 10 DDCDMO COc1c(O)c(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000278530544 484296170 /nfs/dbraw/zinc/29/61/70/484296170.db2.gz VCHVJWYCCXOSFO-FZMZJTMJSA-N 1 1 321.377 1.835 20 10 DDCDMO C[C@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccc(F)cc1O ZINC000370374808 533813560 /nfs/dbraw/zinc/81/35/60/533813560.db2.gz PAUNHOBTLQHXDG-JTQLQIEISA-N 1 1 320.372 1.374 20 10 DDCDMO COc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000377664861 534201810 /nfs/dbraw/zinc/20/18/10/534201810.db2.gz FAXKQRUUQLRFJN-KGLIPLIRSA-N 1 1 319.405 1.827 20 10 DDCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)CC(N)=O)cc2F)CC1 ZINC000267217504 521698513 /nfs/dbraw/zinc/69/85/13/521698513.db2.gz INPZNDHPEXKPOL-CYBMUJFWSA-N 1 1 322.428 1.321 20 10 DDCDMO COc1ccc(N2CC[NH+](CCNC(=O)C3CCC3)CC2)cc1 ZINC000056997506 696293531 /nfs/dbraw/zinc/29/35/31/696293531.db2.gz YXDBIMYAGICPKL-UHFFFAOYSA-N 1 1 317.433 1.734 20 10 DDCDMO CCC[N@@H+](CC(=O)N1CCO[C@H](C)C1)Cc1ccccc1O ZINC000068973704 696378946 /nfs/dbraw/zinc/37/89/46/696378946.db2.gz FHURLUCLJUGOAM-CQSZACIVSA-N 1 1 306.406 1.852 20 10 DDCDMO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000081265926 696542359 /nfs/dbraw/zinc/54/23/59/696542359.db2.gz SUEFBBNRVCZWFY-INIZCTEOSA-N 1 1 305.422 1.480 20 10 DDCDMO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000081265926 696542361 /nfs/dbraw/zinc/54/23/61/696542361.db2.gz SUEFBBNRVCZWFY-INIZCTEOSA-N 1 1 305.422 1.480 20 10 DDCDMO CCCC[N@@H+](C)CCNC(=O)NCc1cc(OC)ccc1O ZINC000114599298 696662105 /nfs/dbraw/zinc/66/21/05/696662105.db2.gz MRQFVIHSLABHLV-UHFFFAOYSA-N 1 1 309.410 1.932 20 10 DDCDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160210431 697315842 /nfs/dbraw/zinc/31/58/42/697315842.db2.gz GIABRPMMYTZJPH-OAHLLOKOSA-N 1 1 324.446 1.395 20 10 DDCDMO COc1ccc(N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)cc1 ZINC000193267516 697657473 /nfs/dbraw/zinc/65/74/73/697657473.db2.gz FSQUAIOJDVZYLM-UHFFFAOYSA-N 1 1 314.389 1.549 20 10 DDCDMO COc1c(O)c(C[NH2+]CC[C@H](C)[S@](C)=O)ccc1[N+](=O)[O-] ZINC000775051581 697957976 /nfs/dbraw/zinc/95/79/76/697957976.db2.gz NULDGVJEZYREAB-FPVGNUTFSA-N 1 1 316.379 1.556 20 10 DDCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1O ZINC000779200268 698401339 /nfs/dbraw/zinc/40/13/39/698401339.db2.gz YSEKYRJGVGWMBY-GUYCJALGSA-N 1 1 308.397 1.865 20 10 DDCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c(O)c1 ZINC000785979121 699114687 /nfs/dbraw/zinc/11/46/87/699114687.db2.gz LXEMDNGSQYRJMF-CYBMUJFWSA-N 1 1 314.407 1.044 20 10 DDCDMO COCC[N@H+](Cc1ccnn1C)Cc1cc2c(cc1O)OCO2 ZINC000787332609 699206501 /nfs/dbraw/zinc/20/65/01/699206501.db2.gz RWYVORNJKVOBJM-UHFFFAOYSA-N 1 1 319.361 1.503 20 10 DDCDMO COCC[N@@H+](Cc1ccnn1C)Cc1cc2c(cc1O)OCO2 ZINC000787332609 699206503 /nfs/dbraw/zinc/20/65/03/699206503.db2.gz RWYVORNJKVOBJM-UHFFFAOYSA-N 1 1 319.361 1.503 20 10 DDCDMO Oc1c(Br)cccc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000706777609 699244571 /nfs/dbraw/zinc/24/45/71/699244571.db2.gz HGGUPPICPAGPSN-GHMZBOCLSA-N 1 1 302.168 1.394 20 10 DDCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1O ZINC000788379921 699309807 /nfs/dbraw/zinc/30/98/07/699309807.db2.gz XYUISXDVUWVODZ-AWEZNQCLSA-N 1 1 308.422 1.862 20 10 DDCDMO COc1ccc(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(O)c1 ZINC000792872775 699719888 /nfs/dbraw/zinc/71/98/88/699719888.db2.gz NPYADUANSMLJJT-LSDHHAIUSA-N 1 1 319.405 1.827 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2CCCOC2)cc1 ZINC000796196986 699919034 /nfs/dbraw/zinc/91/90/34/699919034.db2.gz JEMFTOJZPFLFEH-QGZVFWFLSA-N 1 1 319.449 1.822 20 10 DDCDMO COc1ccc2ccc(O)c(C[N@@H+](C)[C@@H]3CCNC3=O)c2c1 ZINC000758401036 700703476 /nfs/dbraw/zinc/70/34/76/700703476.db2.gz PNCMBGUMOMFWEO-OAHLLOKOSA-N 1 1 300.358 1.874 20 10 DDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H]3C[C@@H]31)cc2=O ZINC000761095432 700843139 /nfs/dbraw/zinc/84/31/39/700843139.db2.gz QDCGLULMYSELLW-SKDRFNHKSA-N 1 1 302.334 1.206 20 10 DDCDMO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1O ZINC000768771163 701201197 /nfs/dbraw/zinc/20/11/97/701201197.db2.gz VWKIIEAZYIBEML-CJNGLKHVSA-N 1 1 305.422 1.024 20 10 DDCDMO COc1cccc(O)c1C[NH+]1CCN(Cc2noc(C)n2)CC1 ZINC000769379567 701242909 /nfs/dbraw/zinc/24/29/09/701242909.db2.gz BUWDZDXJRNAZTQ-UHFFFAOYSA-N 1 1 318.377 1.410 20 10 DDCDMO C[C@H](NC(=O)NCC[NH+]1CCSCC1)c1ccccc1O ZINC000868355390 702079331 /nfs/dbraw/zinc/07/93/31/702079331.db2.gz KWQVJOPCDNTRKC-LBPRGKRZSA-N 1 1 309.435 1.801 20 10 DDCDMO COC[C@@]1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCC[NH2+]1 ZINC000817975449 702540947 /nfs/dbraw/zinc/54/09/47/702540947.db2.gz UWGUWWZVBKJHJU-NHYWBVRUSA-N 1 1 309.366 1.720 20 10 DDCDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841954133 702634096 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DDCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000369927586 418739171 /nfs/dbraw/zinc/73/91/71/418739171.db2.gz ARYMDCAGVQTGPQ-UONOGXRCSA-N 1 1 317.389 1.812 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000365799775 418910176 /nfs/dbraw/zinc/91/01/76/418910176.db2.gz XLYBBDSXOVAZTG-LOWVWBTDSA-N 1 1 308.334 1.966 20 10 DDCDMO COc1c(O)c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)ccc1[N+](=O)[O-] ZINC000365828868 418913959 /nfs/dbraw/zinc/91/39/59/418913959.db2.gz VBCGJKWWFQGFPS-BVUQATHDSA-N 1 1 322.361 1.902 20 10 DDCDMO COc1c(O)c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)ccc1[N+](=O)[O-] ZINC000365828868 418913961 /nfs/dbraw/zinc/91/39/61/418913961.db2.gz VBCGJKWWFQGFPS-BVUQATHDSA-N 1 1 322.361 1.902 20 10 DDCDMO CCOc1cccc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1O ZINC000529669616 421550765 /nfs/dbraw/zinc/55/07/65/421550765.db2.gz ZTNNMVHWLYFBQC-CALCHBBNSA-N 1 1 309.406 1.604 20 10 DDCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c1O ZINC000366568509 274095235 /nfs/dbraw/zinc/09/52/35/274095235.db2.gz WUJRLRMPARCZEV-QWRGUYRKSA-N 1 1 324.764 1.149 20 10 DDCDMO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1cccc(OC)c1O ZINC000360000716 337083628 /nfs/dbraw/zinc/08/36/28/337083628.db2.gz STJJJUCHIBJQLB-OLZOCXBDSA-N 1 1 309.362 1.553 20 10 DDCDMO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1cccc(OC)c1O ZINC000360000716 337083629 /nfs/dbraw/zinc/08/36/29/337083629.db2.gz STJJJUCHIBJQLB-OLZOCXBDSA-N 1 1 309.362 1.553 20 10 DDCDMO CC(C)[C@H](CNC(=O)Cc1ccc(N)cc1)[NH+]1CCOCC1 ZINC000236660593 519815395 /nfs/dbraw/zinc/81/53/95/519815395.db2.gz DSODATILAXKTMH-INIZCTEOSA-N 1 1 305.422 1.284 20 10 DDCDMO COc1ccc(O)c(CN2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000180248326 524737074 /nfs/dbraw/zinc/73/70/74/524737074.db2.gz XCCIJCXOVJQBCA-UHFFFAOYSA-N 1 1 308.422 1.679 20 10 DDCDMO C[C@@H]1CC(=O)N(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000113238896 696655339 /nfs/dbraw/zinc/65/53/39/696655339.db2.gz NNWOVLJHZQNMFB-OAHLLOKOSA-N 1 1 317.433 1.781 20 10 DDCDMO C[C@@H]1CC(=O)N(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000113238896 696655341 /nfs/dbraw/zinc/65/53/41/696655341.db2.gz NNWOVLJHZQNMFB-OAHLLOKOSA-N 1 1 317.433 1.781 20 10 DDCDMO COc1ccc(O)c(CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000114595861 696662068 /nfs/dbraw/zinc/66/20/68/696662068.db2.gz QTRYFAHHHMAVAX-NSHDSACASA-N 1 1 307.394 1.683 20 10 DDCDMO COCC[N@@H+](CCC(=O)OC)Cc1ccc(N(C)C)c(F)c1 ZINC000126434532 696762114 /nfs/dbraw/zinc/76/21/14/696762114.db2.gz SSUOXOXCWLLESP-UHFFFAOYSA-N 1 1 312.385 1.903 20 10 DDCDMO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1C[N@H+](C)CCO1 ZINC000152448762 696899832 /nfs/dbraw/zinc/89/98/32/696899832.db2.gz ANODVMXKETWKNZ-SWLSCSKDSA-N 1 1 307.394 1.253 20 10 DDCDMO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1C[N@@H+](C)CCO1 ZINC000152448762 696899835 /nfs/dbraw/zinc/89/98/35/696899835.db2.gz ANODVMXKETWKNZ-SWLSCSKDSA-N 1 1 307.394 1.253 20 10 DDCDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c(O)c1O ZINC000177681334 697415111 /nfs/dbraw/zinc/41/51/11/697415111.db2.gz 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ZINC000731870707 699538959 /nfs/dbraw/zinc/53/89/59/699538959.db2.gz UQACBFLUJACNGA-QGZVFWFLSA-N 1 1 317.433 1.624 20 10 DDCDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(OC)cc1O ZINC000792913916 699721977 /nfs/dbraw/zinc/72/19/77/699721977.db2.gz ZVMITBZYPQVUDT-LBPRGKRZSA-N 1 1 309.410 1.930 20 10 DDCDMO COC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000794835994 699832691 /nfs/dbraw/zinc/83/26/91/699832691.db2.gz LBYJVTNVCMFURV-HTQZYQBOSA-N 1 1 322.174 1.952 20 10 DDCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(=O)NC ZINC000801595497 700325639 /nfs/dbraw/zinc/32/56/39/700325639.db2.gz MMFARRBXWQKEBN-GFCCVEGCSA-N 1 1 307.394 1.838 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c1 ZINC000756595397 700630838 /nfs/dbraw/zinc/63/08/38/700630838.db2.gz SRGUEFYMWVWYDB-CMPLNLGQSA-N 1 1 306.362 1.450 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000756762318 700640037 /nfs/dbraw/zinc/64/00/37/700640037.db2.gz XOKZGHZKWGMNDU-OZVIIMIRSA-N 1 1 322.405 1.549 20 10 DDCDMO CCN(CC)c1ccc(CNC[C@@]2(O)CC[N@@H+](C)C2)cc1F ZINC000762568807 700898602 /nfs/dbraw/zinc/89/86/02/700898602.db2.gz NTFFSPPEUBBSPE-KRWDZBQOSA-N 1 1 309.429 1.828 20 10 DDCDMO CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CCN(C)C2)cc1F ZINC000762568807 700898603 /nfs/dbraw/zinc/89/86/03/700898603.db2.gz NTFFSPPEUBBSPE-KRWDZBQOSA-N 1 1 309.429 1.828 20 10 DDCDMO CN(C)c1ccc(CNc2nc(N3CCOCC3)cc[nH+]2)cc1 ZINC000764391410 700969148 /nfs/dbraw/zinc/96/91/48/700969148.db2.gz IILQJVRAAROHTI-UHFFFAOYSA-N 1 1 313.405 1.991 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+](C)C[C@H](O)C3CC3)cc2)CC1 ZINC000809751826 701685817 /nfs/dbraw/zinc/68/58/17/701685817.db2.gz LPYVKMLTDIMAMR-SFHVURJKSA-N 1 1 303.450 1.641 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+](C)C[C@H](O)C3CC3)cc2)CC1 ZINC000809751826 701685818 /nfs/dbraw/zinc/68/58/18/701685818.db2.gz LPYVKMLTDIMAMR-SFHVURJKSA-N 1 1 303.450 1.641 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000809770955 701688053 /nfs/dbraw/zinc/68/80/53/701688053.db2.gz BTGSQCZHIKWFSE-ZDUSSCGKSA-N 1 1 304.390 1.845 20 10 DDCDMO CCOc1ccc(C[N@H+](C)CC(=O)NCCCOC)c(O)c1 ZINC000768212413 701163983 /nfs/dbraw/zinc/16/39/83/701163983.db2.gz IMXRELQZYLYKAS-UHFFFAOYSA-N 1 1 310.394 1.375 20 10 DDCDMO CCOc1ccc(C[N@@H+](C)CC(=O)NCCCOC)c(O)c1 ZINC000768212413 701163985 /nfs/dbraw/zinc/16/39/85/701163985.db2.gz IMXRELQZYLYKAS-UHFFFAOYSA-N 1 1 310.394 1.375 20 10 DDCDMO COc1cc(Br)cc(C[N@H+](C)CC(N)=O)c1O ZINC000768245433 701165138 /nfs/dbraw/zinc/16/51/38/701165138.db2.gz SGDARMRMDLXVJM-UHFFFAOYSA-N 1 1 303.156 1.080 20 10 DDCDMO COc1cc(Br)cc(C[N@@H+](C)CC(N)=O)c1O ZINC000768245433 701165140 /nfs/dbraw/zinc/16/51/40/701165140.db2.gz SGDARMRMDLXVJM-UHFFFAOYSA-N 1 1 303.156 1.080 20 10 DDCDMO CCNC(=O)CN1CC[NH+](Cc2ccc(OCC)cc2O)CC1 ZINC000768252029 701165590 /nfs/dbraw/zinc/16/55/90/701165590.db2.gz TWTVQWYIISFAJT-UHFFFAOYSA-N 1 1 321.421 1.045 20 10 DDCDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768440104 701176905 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COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000840939712 702286761 /nfs/dbraw/zinc/28/67/61/702286761.db2.gz PNSTWNNOHLEDMH-HZPDHXFCSA-N 1 1 306.406 1.559 20 10 DDCDMO [O-]c1ccc(Br)cc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000841042534 702320508 /nfs/dbraw/zinc/32/05/08/702320508.db2.gz JZJALJBQGDURHJ-UHFFFAOYSA-N 1 1 314.227 1.150 20 10 DDCDMO CN(Cc1ccc(OCc2ccccc2)cc1O)C[C@H](O)C[NH3+] ZINC000841091789 702342120 /nfs/dbraw/zinc/34/21/20/702342120.db2.gz GEUHBVUKZZGZRW-MRXNPFEDSA-N 1 1 316.401 1.723 20 10 DDCDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000817412906 702372930 /nfs/dbraw/zinc/37/29/30/702372930.db2.gz QODRLAJMBQTNGQ-MRXNPFEDSA-N 1 1 303.406 1.234 20 10 DDCDMO CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccc(N)cc2)CC1 ZINC000841299165 702416896 /nfs/dbraw/zinc/41/68/96/702416896.db2.gz VRQKUHCGHJEOLV-UHFFFAOYSA-N 1 1 319.453 1.806 20 10 DDCDMO CN(C)c1ccc(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817896449 702511577 /nfs/dbraw/zinc/51/15/77/702511577.db2.gz IRRCBTVFFYHZMC-RCCFBDPRSA-N 1 1 303.450 1.999 20 10 DDCDMO Nc1ccc(CCNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000841705430 702543714 /nfs/dbraw/zinc/54/37/14/702543714.db2.gz QMIBRVSJTCWRCH-JKSUJKDBSA-N 1 1 302.422 1.737 20 10 DDCDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCCc1ccc(N)cc1 ZINC000841802108 702570137 /nfs/dbraw/zinc/57/01/37/702570137.db2.gz GRZQTAALPDAZOL-CYBMUJFWSA-N 1 1 315.421 1.952 20 10 DDCDMO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](N)c2ccccc2)cc1 ZINC000841846194 702582819 /nfs/dbraw/zinc/58/28/19/702582819.db2.gz KODFSQBYCAJNFA-IRXDYDNUSA-N 1 1 312.417 1.569 20 10 DDCDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCc2ccc(N)cc2)C1 ZINC000841956421 702635173 /nfs/dbraw/zinc/63/51/73/702635173.db2.gz BAIFCSQNVMKVTF-NVXWUHKLSA-N 1 1 316.449 1.937 20 10 DDCDMO C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000843052969 702809315 /nfs/dbraw/zinc/80/93/15/702809315.db2.gz RBVWGHMWNVGPHO-UHFFFAOYSA-N 1 1 301.793 1.522 20 10 DDCDMO COc1cccc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c1O ZINC000843414868 702876820 /nfs/dbraw/zinc/87/68/20/702876820.db2.gz DEIUJBSZSCXBJG-CYBMUJFWSA-N 1 1 300.362 1.877 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)CCN2CCOC2=O)cc1 ZINC000844399830 703026155 /nfs/dbraw/zinc/02/61/55/703026155.db2.gz PKGFOJDCHFGDQR-UHFFFAOYSA-N 1 1 307.394 1.515 20 10 DDCDMO COCC[N@@H+]1CCN(C(=O)c2cccc(O)c2O)C(C)(C)C1 ZINC000846564108 703298020 /nfs/dbraw/zinc/29/80/20/703298020.db2.gz VBRVOXYEQKBODG-UHFFFAOYSA-N 1 1 308.378 1.281 20 10 DDCDMO COCC[N@H+]1CCN(C(=O)c2cccc(O)c2O)C(C)(C)C1 ZINC000846564108 703298022 /nfs/dbraw/zinc/29/80/22/703298022.db2.gz VBRVOXYEQKBODG-UHFFFAOYSA-N 1 1 308.378 1.281 20 10 DDCDMO O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000847944049 703485914 /nfs/dbraw/zinc/48/59/14/703485914.db2.gz ILZNUSDBTMUESJ-RQOWECAXSA-N 1 1 314.345 1.183 20 10 DDCDMO OCCO[C@@]1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCOC1 ZINC000850358288 703727088 /nfs/dbraw/zinc/72/70/88/703727088.db2.gz MZOPOKJGUIFTJI-CQSZACIVSA-N 1 1 319.760 1.442 20 10 DDCDMO Cc1c[nH]nc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406443 703729822 /nfs/dbraw/zinc/72/98/22/703729822.db2.gz GXJVYRRHXVXWMV-UHFFFAOYSA-N 1 1 300.406 1.969 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](OC)[C@@H]2CCOC2)c1 ZINC000850484454 703733402 /nfs/dbraw/zinc/73/34/02/703733402.db2.gz JEONIZXDQLZHHE-GHJWDPDVSA-N 1 1 323.389 1.881 20 10 DDCDMO CCC[N@H+]1CC[C@@H](NC(=O)NCc2cc(OC)ccc2O)C1 ZINC000853736888 704307643 /nfs/dbraw/zinc/30/76/43/704307643.db2.gz RZSQLGDTLPDXOL-CYBMUJFWSA-N 1 1 307.394 1.684 20 10 DDCDMO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834570078 707088334 /nfs/dbraw/zinc/08/83/34/707088334.db2.gz CLBQGFGSYVIZOT-GJZGRUSLSA-N 1 1 317.433 1.557 20 10 DDCDMO CN(C)c1[nH+]cc(CNC(=O)N2Cc3cccc(O)c3C2)n1C ZINC000875354915 705361119 /nfs/dbraw/zinc/36/11/19/705361119.db2.gz AWSVEEVASCPKMI-UHFFFAOYSA-N 1 1 315.377 1.417 20 10 DDCDMO COCCOCC[N@@H+](C)CCC(=O)N1Cc2cccc(O)c2C1 ZINC000825355974 705653149 /nfs/dbraw/zinc/65/31/49/705653149.db2.gz FVJVNJSTKKWOMW-UHFFFAOYSA-N 1 1 322.405 1.219 20 10 DDCDMO CNC(=O)NC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000862461651 705718614 /nfs/dbraw/zinc/71/86/14/705718614.db2.gz LINLAHJSWCAXMA-INIZCTEOSA-N 1 1 320.437 1.191 20 10 DDCDMO CNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000862461651 705718616 /nfs/dbraw/zinc/71/86/16/705718616.db2.gz LINLAHJSWCAXMA-INIZCTEOSA-N 1 1 320.437 1.191 20 10 DDCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1Cl ZINC000825731704 705723684 /nfs/dbraw/zinc/72/36/84/705723684.db2.gz KKOGBUKWOJARRK-HNNXBMFYSA-N 1 1 323.780 1.528 20 10 DDCDMO O=C1OC[C@H]2C[N@@H+](Cc3cccc(Br)c3O)C[C@@H]12 ZINC000862545329 705729871 /nfs/dbraw/zinc/72/98/71/705729871.db2.gz PBIDPIGPLXCRGU-NXEZZACHSA-N 1 1 312.163 1.760 20 10 DDCDMO O=C1OC[C@H]2C[N@H+](Cc3cccc(Br)c3O)C[C@@H]12 ZINC000862545329 705729873 /nfs/dbraw/zinc/72/98/73/705729873.db2.gz PBIDPIGPLXCRGU-NXEZZACHSA-N 1 1 312.163 1.760 20 10 DDCDMO COc1ccc(N2CC[NH+](CC[S@@](C)=O)CC2)cc1F ZINC000828031883 706106505 /nfs/dbraw/zinc/10/65/05/706106505.db2.gz PPSRFEYSPGTIBG-HXUWFJFHSA-N 1 1 300.399 1.335 20 10 DDCDMO C[N@H+]1CCN(Cc2cc(Br)ccc2O)[C@H](CO)C1 ZINC000877643854 706167399 /nfs/dbraw/zinc/16/73/99/706167399.db2.gz KDOZTKVOMZZDSI-LBPRGKRZSA-N 1 1 315.211 1.263 20 10 DDCDMO Cc1cccc(C[N@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1O ZINC000877815752 706223481 /nfs/dbraw/zinc/22/34/81/706223481.db2.gz PZPDNFCCJPSOLP-IYBDPMFKSA-N 1 1 309.431 1.957 20 10 DDCDMO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000838478758 707929983 /nfs/dbraw/zinc/92/99/83/707929983.db2.gz LMYSYOMNEBNJIZ-DOTOQJQBSA-N 1 1 316.449 1.907 20 10 DDCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C1(S(C)(=O)=O)CC1 ZINC000883118297 707932441 /nfs/dbraw/zinc/93/24/41/707932441.db2.gz SGXPOQXVXGQDIG-QMMMGPOBSA-N 1 1 305.346 1.726 20 10 DDCDMO CCC[N@@H+](CCN1C(=O)N[C@@H](C)C1=O)Cc1ccccc1O ZINC000838858713 707990770 /nfs/dbraw/zinc/99/07/70/707990770.db2.gz CXZMZOFOAYHJOZ-LBPRGKRZSA-N 1 1 305.378 1.545 20 10 DDCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1C ZINC000897608944 708392249 /nfs/dbraw/zinc/39/22/49/708392249.db2.gz AYJUSOCZRHOEGR-OCCSQVGLSA-N 1 1 312.435 1.365 20 10 DDCDMO CCn1ncnc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898447227 708642881 /nfs/dbraw/zinc/64/28/81/708642881.db2.gz HNUIMZUTLYRGSQ-MRXNPFEDSA-N 1 1 316.453 1.757 20 10 DDCDMO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1c(O)cccc1F ZINC000886500135 708768506 /nfs/dbraw/zinc/76/85/06/708768506.db2.gz HXIYYRSQTISUPO-JTQLQIEISA-N 1 1 316.398 1.606 20 10 DDCDMO CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886599243 708789378 /nfs/dbraw/zinc/78/93/78/708789378.db2.gz UXPVBNPVJXBORJ-NEPJUHHUSA-N 1 1 301.358 1.596 20 10 DDCDMO CC(C)N1CC[NH+](CCC(=O)NCc2ccc(O)cc2O)CC1 ZINC000910943385 710126169 /nfs/dbraw/zinc/12/61/69/710126169.db2.gz BISBWTMXSZITPC-UHFFFAOYSA-N 1 1 321.421 1.130 20 10 DDCDMO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000893053302 710547460 /nfs/dbraw/zinc/54/74/60/710547460.db2.gz LLUNOIGCKXLPCF-IYBDPMFKSA-N 1 1 316.449 1.764 20 10 DDCDMO COc1ccc(C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)c(O)c1OC ZINC000894142656 710984169 /nfs/dbraw/zinc/98/41/69/710984169.db2.gz OPDDDHZEKAHUIO-YVEFUNNKSA-N 1 1 323.389 1.789 20 10 DDCDMO COc1cc(C)cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O ZINC000894537048 711169745 /nfs/dbraw/zinc/16/97/45/711169745.db2.gz GISQIHTWUYGUBO-LNSITVRQSA-N 1 1 304.390 1.795 20 10 DDCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)cc1F ZINC000895327158 711485328 /nfs/dbraw/zinc/48/53/28/711485328.db2.gz APONLRWMALHVFC-WMLDXEAASA-N 1 1 310.413 1.990 20 10 DDCDMO COC[C@]1(C)C[N@H+](Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000895674377 711574796 /nfs/dbraw/zinc/57/47/96/711574796.db2.gz YRTSCHYNMFCBTC-INIZCTEOSA-N 1 1 311.378 1.647 20 10 DDCDMO COC[C@]1(C)C[N@@H+](Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000895674377 711574798 /nfs/dbraw/zinc/57/47/98/711574798.db2.gz YRTSCHYNMFCBTC-INIZCTEOSA-N 1 1 311.378 1.647 20 10 DDCDMO O=C(NCc1c(O)cccc1F)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000914150649 713349006 /nfs/dbraw/zinc/34/90/06/713349006.db2.gz PZKBSFUTNZAUPA-RYUDHWBXSA-N 1 1 307.369 1.957 20 10 DDCDMO C[C@H](NC(=O)NCc1c(O)cccc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000921557028 713807405 /nfs/dbraw/zinc/80/74/05/713807405.db2.gz SQSZJOJLEFXKIM-IINYFYTJSA-N 1 1 311.357 1.050 20 10 DDCDMO Cc1cc(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)ccc1N(C)C ZINC000933722170 714655128 /nfs/dbraw/zinc/65/51/28/714655128.db2.gz TUJDNFZKYXCFBY-GASCZTMLSA-N 1 1 308.447 1.537 20 10 DDCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000934263083 714779450 /nfs/dbraw/zinc/77/94/50/714779450.db2.gz AYJZIDKHZMRAEY-MSOLQXFVSA-N 1 1 303.450 1.784 20 10 DDCDMO CN(C)c1ccc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000934263083 714779453 /nfs/dbraw/zinc/77/94/53/714779453.db2.gz AYJZIDKHZMRAEY-MSOLQXFVSA-N 1 1 303.450 1.784 20 10 DDCDMO CN(C)c1ccc(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000934263083 714779456 /nfs/dbraw/zinc/77/94/56/714779456.db2.gz AYJZIDKHZMRAEY-MSOLQXFVSA-N 1 1 303.450 1.784 20 10 DDCDMO [NH3+][C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)C12CCC2 ZINC000925499829 714874489 /nfs/dbraw/zinc/87/44/89/714874489.db2.gz ATUZRUFQIQSRBL-SJORKVTESA-N 1 1 301.434 1.883 20 10 DDCDMO CC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccccc1O)CCO2 ZINC001203555933 751303718 /nfs/dbraw/zinc/30/37/18/751303718.db2.gz KAEBTHWZYCMHSM-QGZVFWFLSA-N 1 1 304.390 1.606 20 10 DDCDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc(O)c(O)c2)[C@@H](C)C1 ZINC001136900566 772195174 /nfs/dbraw/zinc/19/51/74/772195174.db2.gz XRRKDWUTIFAIGL-JSGCOSHPSA-N 1 1 306.406 1.829 20 10 DDCDMO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1cc(O)c(O)cc1O)C2 ZINC001172108129 776648587 /nfs/dbraw/zinc/64/85/87/776648587.db2.gz QDUPIKIUXGOMLB-BTTYYORXSA-N 1 1 306.406 1.951 20 10 DDCDMO CN1C[C@@]2(CC[N@@H+](Cc3c([O-])cc(F)cc3F)C2)OCC1=O ZINC001272616668 846413969 /nfs/dbraw/zinc/41/39/69/846413969.db2.gz NMNALKYHQKUHCR-OAHLLOKOSA-N 1 1 312.316 1.104 20 10 DDCDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@]12CCN(C)C2=O ZINC001274215845 852046268 /nfs/dbraw/zinc/04/62/68/852046268.db2.gz OXETUCBGOPKOAT-SFHVURJKSA-N 1 1 317.433 1.958 20 10 DDCDMO COc1cccc(C[NH+]2CC3(CCN3C(=O)NC(C)C)C2)c1O ZINC001275270771 852944248 /nfs/dbraw/zinc/94/42/48/852944248.db2.gz KWUFVIXEZXPGCD-UHFFFAOYSA-N 1 1 319.405 1.779 20 10 DDCDMO Oc1ccc(O)c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c1 ZINC001275418553 853096753 /nfs/dbraw/zinc/09/67/53/853096753.db2.gz FRHNRAZFQMGETK-AEFFLSMTSA-N 1 1 318.417 1.925 20 10 DDCDMO Oc1ccc(O)c(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C2CCCC2)c1 ZINC001275418553 853096757 /nfs/dbraw/zinc/09/67/57/853096757.db2.gz FRHNRAZFQMGETK-AEFFLSMTSA-N 1 1 318.417 1.925 20 10 DDCDMO Oc1ccc(O)c(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C2CCCC2)c1 ZINC001275418553 853096761 /nfs/dbraw/zinc/09/67/61/853096761.db2.gz FRHNRAZFQMGETK-AEFFLSMTSA-N 1 1 318.417 1.925 20 10 DDCDMO COc1cnc(O[C@H]2CC[N@H+](Cc3cccc(F)c3O)C2)nc1 ZINC001138131127 860012620 /nfs/dbraw/zinc/01/26/20/860012620.db2.gz RCRHTKGSPYMEMS-LBPRGKRZSA-N 1 1 319.336 1.983 20 10 DDCDMO COc1cnc(O[C@H]2CC[N@@H+](Cc3cccc(F)c3O)C2)nc1 ZINC001138131127 860012628 /nfs/dbraw/zinc/01/26/28/860012628.db2.gz RCRHTKGSPYMEMS-LBPRGKRZSA-N 1 1 319.336 1.983 20 10 DDCDMO CN1CCCc2cc(C[N@H+]3CC[C@H](S(C)(=O)=O)C3)ccc21 ZINC001138357554 860072948 /nfs/dbraw/zinc/07/29/48/860072948.db2.gz IDQKKAYFYLGGKE-HNNXBMFYSA-N 1 1 308.447 1.688 20 10 DDCDMO CN1CCCc2cc(C[N@@H+]3CC[C@H](S(C)(=O)=O)C3)ccc21 ZINC001138357554 860072934 /nfs/dbraw/zinc/07/29/34/860072934.db2.gz IDQKKAYFYLGGKE-HNNXBMFYSA-N 1 1 308.447 1.688 20 10 DDCDMO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138499715 860119869 /nfs/dbraw/zinc/11/98/69/860119869.db2.gz FTPRSOSWVWSVFT-KRWDZBQOSA-N 1 1 317.433 1.624 20 10 DDCDMO CC[NH+]1C[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@H]2C1 ZINC001138499736 860120756 /nfs/dbraw/zinc/12/07/56/860120756.db2.gz GTKYUZQEFZPHQM-QZTJIDSGSA-N 1 1 315.461 1.907 20 10 DDCDMO COC[C@H]1C[N@H+](Cc2ccc(O)c(C)c2O)Cc2ncn(C)c21 ZINC001140744532 860690564 /nfs/dbraw/zinc/69/05/64/860690564.db2.gz AYNUGOOSUFBQFE-CYBMUJFWSA-N 1 1 317.389 1.886 20 10 DDCDMO COC[C@H]1C[N@@H+](Cc2ccc(O)c(C)c2O)Cc2ncn(C)c21 ZINC001140744532 860690566 /nfs/dbraw/zinc/69/05/66/860690566.db2.gz AYNUGOOSUFBQFE-CYBMUJFWSA-N 1 1 317.389 1.886 20 10 DDCDMO CCOC[C@@H]1C[N@H+](Cc2ccc(C)cc2O)Cc2nnn(C)c21 ZINC001140950420 860744637 /nfs/dbraw/zinc/74/46/37/860744637.db2.gz SRAPXBYNNKIEIJ-AWEZNQCLSA-N 1 1 316.405 1.965 20 10 DDCDMO CCOC[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)Cc2nnn(C)c21 ZINC001140950420 860744640 /nfs/dbraw/zinc/74/46/40/860744640.db2.gz SRAPXBYNNKIEIJ-AWEZNQCLSA-N 1 1 316.405 1.965 20 10 DDCDMO CN1CCOc2cc(C[N@@H+]3CCOC4(CCOCC4)C3)ccc21 ZINC001141145747 860795553 /nfs/dbraw/zinc/79/55/53/860795553.db2.gz ZDBREIASGLJWRY-UHFFFAOYSA-N 1 1 318.417 1.897 20 10 DDCDMO CN1CCOc2cc(C[N@H+]3CCOC4(CCOCC4)C3)ccc21 ZINC001141145747 860795559 /nfs/dbraw/zinc/79/55/59/860795559.db2.gz ZDBREIASGLJWRY-UHFFFAOYSA-N 1 1 318.417 1.897 20 10 DDCDMO COCCOc1ccc(N2CC[NH+](Cc3cn[nH]c3)CC2)cc1 ZINC001203099850 860802297 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COc1cnc(O[C@@H]2CC[N@@H+](Cc3ccc(O)cc3O)C2)nc1 ZINC001204277912 871037863 /nfs/dbraw/zinc/03/78/63/871037863.db2.gz ORIUMXJTRHYAER-CYBMUJFWSA-N 1 1 317.345 1.550 20 10 DDCDMO COc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c([O-])c1Cl ZINC001205248908 871458880 /nfs/dbraw/zinc/45/88/80/871458880.db2.gz SVHDANQONLCRFM-OAHLLOKOSA-N 1 1 314.813 1.730 20 10 DDCDMO [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001205726285 871751508 /nfs/dbraw/zinc/75/15/08/871751508.db2.gz SICMEFJILCTSHI-CQSZACIVSA-N 1 1 302.777 1.860 20 10 DDCDMO [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001205726285 871751519 /nfs/dbraw/zinc/75/15/19/871751519.db2.gz SICMEFJILCTSHI-CQSZACIVSA-N 1 1 302.777 1.860 20 10 DDCDMO Nc1ccc(CC(=O)NCCCCC[NH+]2CCNCC2)cc1 ZINC001344931697 873182602 /nfs/dbraw/zinc/18/26/02/873182602.db2.gz QXDJWGAPEBZTMO-UHFFFAOYSA-N 1 1 304.438 1.003 20 10 DDCDMO OC[C@@H]1CC[N@@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236775279 889348827 /nfs/dbraw/zinc/34/88/27/889348827.db2.gz 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316.405 1.451 20 10 DDCDMO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846103608 703238331 /nfs/dbraw/zinc/23/83/31/703238331.db2.gz RYKWYOSBGXWBBP-FBJOKTGGSA-N 1 1 324.421 1.368 20 10 DDCDMO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846103608 703238334 /nfs/dbraw/zinc/23/83/34/703238334.db2.gz RYKWYOSBGXWBBP-FBJOKTGGSA-N 1 1 324.421 1.368 20 10 DDCDMO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000846446421 703277406 /nfs/dbraw/zinc/27/74/06/703277406.db2.gz KAKAIUYCYNRSAY-AWEZNQCLSA-N 1 1 305.422 1.542 20 10 DDCDMO O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000847944045 703485889 /nfs/dbraw/zinc/48/58/89/703485889.db2.gz ILZNUSDBTMUESJ-DUXPYHPUSA-N 1 1 314.345 1.183 20 10 DDCDMO CCc1cccc(C[NH+]2CCN([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000848885732 703598301 /nfs/dbraw/zinc/59/83/01/703598301.db2.gz MXUUGAUUIJGDCR-SJORKVTESA-N 1 1 304.434 1.986 20 10 DDCDMO C[C@@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000851950379 703888932 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DDCDMO C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000875401216 705375886 /nfs/dbraw/zinc/37/58/86/705375886.db2.gz WUYFHFZUHKBSLZ-ABAIWWIYSA-N 1 1 305.378 1.137 20 10 DDCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H]2CS(N)(=O)=O)cc1 ZINC000835029525 707158429 /nfs/dbraw/zinc/15/84/29/707158429.db2.gz RMZWIUICEYJMCV-IMMZDGJCSA-N 1 1 323.462 1.519 20 10 DDCDMO Cc1cc(O)c(C[NH+]2CCN(c3nccnn3)CC2)cc1Cl ZINC000862443368 705718402 /nfs/dbraw/zinc/71/84/02/705718402.db2.gz ODXVSBSKPJEGLZ-UHFFFAOYSA-N 1 1 319.796 1.861 20 10 DDCDMO CN(C)c1ccc(C[N@H+](C)Cc2ccc(S(N)(=O)=O)o2)cc1 ZINC000876511486 705740844 /nfs/dbraw/zinc/74/08/44/705740844.db2.gz KAMGWNFBLSJKFI-UHFFFAOYSA-N 1 1 323.418 1.625 20 10 DDCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(S(N)(=O)=O)o2)cc1 ZINC000876511486 705740846 /nfs/dbraw/zinc/74/08/46/705740846.db2.gz KAMGWNFBLSJKFI-UHFFFAOYSA-N 1 1 323.418 1.625 20 10 DDCDMO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876539739 705750714 /nfs/dbraw/zinc/75/07/14/705750714.db2.gz 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ZINC001232840219 886626507 /nfs/dbraw/zinc/62/65/07/886626507.db2.gz PPRKRPLOFQUUTD-UHFFFAOYSA-N 1 1 307.438 1.612 20 10 DDCDMO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015157 886728715 /nfs/dbraw/zinc/72/87/15/886728715.db2.gz DPMHKWWHVUHZIY-GFCCVEGCSA-N 1 1 309.362 1.969 20 10 DDCDMO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015157 886728724 /nfs/dbraw/zinc/72/87/24/886728724.db2.gz DPMHKWWHVUHZIY-GFCCVEGCSA-N 1 1 309.362 1.969 20 10 DDCDMO C[C@]1(CO)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@@H]1O ZINC001233451960 887000930 /nfs/dbraw/zinc/00/09/30/887000930.db2.gz GEDRPHMQMXVDEM-UONOGXRCSA-N 1 1 319.323 1.976 20 10 DDCDMO Oc1cc(O)c(C[NH+]2CCN(c3cccnc3)CC2)cc1O ZINC001233483032 887014223 /nfs/dbraw/zinc/01/42/23/887014223.db2.gz LVEUQEVPEWLNOI-UHFFFAOYSA-N 1 1 301.346 1.521 20 10 DDCDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc[nH]c4cc(=O)c(O)cc3-4)[C@H]1CC(=O)C2 ZINC001233949591 887494693 /nfs/dbraw/zinc/49/46/93/887494693.db2.gz LFSBHGULWIIGRL-IBRIGMFSSA-N 1 1 315.329 1.224 20 10 DDCDMO C[N@H+]1[C@@H]2C[C@@H](Oc3nc[nH]c4cc(=O)c(O)cc3-4)[C@H]1CC(=O)C2 ZINC001233949591 887494697 /nfs/dbraw/zinc/49/46/97/887494697.db2.gz LFSBHGULWIIGRL-IBRIGMFSSA-N 1 1 315.329 1.224 20 10 DDCDMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@H](CO)C3)c2c1 ZINC001234526260 888057598 /nfs/dbraw/zinc/05/75/98/888057598.db2.gz RWOGNKHSFPAYTM-AWEZNQCLSA-N 1 1 303.358 1.747 20 10 DDCDMO CN1CCN(c2ccc(CN3CC[C@@H]4[NH2+]CC[C@H]43)c(F)c2)CC1 ZINC001235048843 888364125 /nfs/dbraw/zinc/36/41/25/888364125.db2.gz KMGLUIBJHLETDE-ZWKOTPCHSA-N 1 1 318.440 1.514 20 10 DDCDMO COC(=O)[C@H]1C[N@H+](Cc2c(C)n(C)c3ccccc23)C[C@@H]1N ZINC001236346643 889197924 /nfs/dbraw/zinc/19/79/24/889197924.db2.gz UHKZLDIXDMYHPJ-GJZGRUSLSA-N 1 1 301.390 1.419 20 10 DDCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(C)n(C)c3ccccc23)C[C@@H]1N ZINC001236346643 889197928 /nfs/dbraw/zinc/19/79/28/889197928.db2.gz UHKZLDIXDMYHPJ-GJZGRUSLSA-N 1 1 301.390 1.419 20 10 DDCDMO CCc1ccc(C[N@H+]2Cc3ccnn3CC[C@H]2CO)c(O)c1 ZINC001236789482 889356659 /nfs/dbraw/zinc/35/66/59/889356659.db2.gz XBUXARRBNOUNOZ-INIZCTEOSA-N 1 1 301.390 1.918 20 10 DDCDMO COc1cc(C)c(C[NH+]2CCC(S(C)(=O)=O)CC2)c(O)c1 ZINC001236813389 889366881 /nfs/dbraw/zinc/36/68/81/889366881.db2.gz JSHFODXBIUSMNJ-UHFFFAOYSA-N 1 1 313.419 1.718 20 10 DDCDMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236930642 889427762 /nfs/dbraw/zinc/42/77/62/889427762.db2.gz DXLJNTWLNMUOLL-PBHICJAKSA-N 1 1 321.440 1.923 20 10 DDCDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236930642 889427772 /nfs/dbraw/zinc/42/77/72/889427772.db2.gz DXLJNTWLNMUOLL-PBHICJAKSA-N 1 1 321.440 1.923 20 10 DDCDMO CCOc1ccc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(O)c1 ZINC001237045134 889477790 /nfs/dbraw/zinc/47/77/90/889477790.db2.gz XHLYJNGXWKPOML-MRXNPFEDSA-N 1 1 306.362 1.865 20 10 DDCDMO CCOc1ccc(C[N@H+]2CCC[C@H](NC(=O)NC)C2)c(O)c1 ZINC001237047269 889479480 /nfs/dbraw/zinc/47/94/80/889479480.db2.gz KYHQANITSUAXMF-ZDUSSCGKSA-N 1 1 307.394 1.684 20 10 DDCDMO Cc1cccc(O)c1C[N@H+]1C[C@](O)(C(F)(F)F)C[C@H]1CO ZINC001237484682 889662374 /nfs/dbraw/zinc/66/23/74/889662374.db2.gz HNXXCXAAOJPCFA-GWCFXTLKSA-N 1 1 305.296 1.561 20 10 DDCDMO CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3c(C)cccc3O)CC[C@@H]2C1 ZINC001237485698 889663196 /nfs/dbraw/zinc/66/31/96/889663196.db2.gz KSTUMSXNWJRKSA-CRAIPNDOSA-N 1 1 318.417 1.770 20 10 DDCDMO C[NH+](C)C[C@H]1CN(Cc2cc(F)cc(Cl)c2O)CCO1 ZINC001237807302 889862118 /nfs/dbraw/zinc/86/21/18/889862118.db2.gz HSOMMIURYSWAHI-LBPRGKRZSA-N 1 1 302.777 1.947 20 10 DDCDMO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CN1 ZINC001246879933 892967290 /nfs/dbraw/zinc/96/72/90/892967290.db2.gz YILXDYGIGOOOCX-KGLIPLIRSA-N 1 1 320.389 1.140 20 10 DDCDMO COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)CN1 ZINC001246879933 892967302 /nfs/dbraw/zinc/96/73/02/892967302.db2.gz YILXDYGIGOOOCX-KGLIPLIRSA-N 1 1 320.389 1.140 20 10 DDCDMO CC1(C)C=Cc2c(O)c(C[N@H+]3CC[C@H](O)[C@H](CO)C3)ccc2O1 ZINC001249223235 893880033 /nfs/dbraw/zinc/88/00/33/893880033.db2.gz BXRFBSJJXRSWAR-ZFWWWQNUSA-N 1 1 319.401 1.752 20 10 DDCDMO COCCC[N@@H+](C)CCNC(=O)N(C)Cc1ccccc1O ZINC000074616555 185003211 /nfs/dbraw/zinc/00/32/11/185003211.db2.gz MTWIPWUIHHYALJ-UHFFFAOYSA-N 1 1 309.410 1.502 20 10 DDCDMO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(N)cc1)c1ccco1 ZINC001120474616 781969193 /nfs/dbraw/zinc/96/91/93/781969193.db2.gz LHPFTEPBJXCFBS-AWEZNQCLSA-N 1 1 302.378 1.964 20 10 DDCDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000275161774 130296202 /nfs/dbraw/zinc/29/62/02/130296202.db2.gz YPMMOEPNZXEJPU-LLVKDONJSA-N 1 1 302.296 1.893 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)CC2(O)CCCC2)cc1 ZINC000151950318 407532115 /nfs/dbraw/zinc/53/21/15/407532115.db2.gz ZGIKJRCOFQJEAW-UHFFFAOYSA-N 1 1 319.449 1.606 20 10 DDCDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000181560293 408011132 /nfs/dbraw/zinc/01/11/32/408011132.db2.gz DVOSFINIGXZAAL-LBPRGKRZSA-N 1 1 318.826 1.559 20 10 DDCDMO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)c1 ZINC000185364369 408800337 /nfs/dbraw/zinc/80/03/37/408800337.db2.gz KWOKKNSHVGXKJV-ZIAGYGMSSA-N 1 1 307.438 1.687 20 10 DDCDMO CCCC[N@H+](Cc1ccccc1O)Cc1nc(N)nc(N)n1 ZINC000282488752 409055853 /nfs/dbraw/zinc/05/58/53/409055853.db2.gz PPLZXLMEVNVKRP-UHFFFAOYSA-N 1 1 302.382 1.544 20 10 DDCDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000278721215 409086571 /nfs/dbraw/zinc/08/65/71/409086571.db2.gz POGMQQNHOOWFIE-GDBMZVCRSA-N 1 1 309.406 1.546 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)c1 ZINC000278866302 409104100 /nfs/dbraw/zinc/10/41/00/409104100.db2.gz RKYKOMYHKZACDK-XMZIXOGTSA-N 1 1 309.362 1.369 20 10 DDCDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc3c(cc1O)OCO3)CCO2 ZINC000279716951 409246669 /nfs/dbraw/zinc/24/66/69/409246669.db2.gz UBCBIDXXHYSIRM-MEDUHNTESA-N 1 1 307.346 1.501 20 10 DDCDMO COc1cccc(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000374081768 418486685 /nfs/dbraw/zinc/48/66/85/418486685.db2.gz SHPXVKJFVWZMTI-ZIAGYGMSSA-N 1 1 319.405 1.827 20 10 DDCDMO COc1ccc(O)c([C@H](C)[N@H+]2CC[C@@H]3OCC(=O)N[C@@H]3C2)c1 ZINC000377702151 418713403 /nfs/dbraw/zinc/71/34/03/418713403.db2.gz PHLVKQIVJLASDY-ZBINZKHDSA-N 1 1 306.362 1.051 20 10 DDCDMO CCCN(Cc1ccccc1O)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000372858920 418909888 /nfs/dbraw/zinc/90/98/88/418909888.db2.gz SRQRRRBHCHZVMA-MRXNPFEDSA-N 1 1 317.433 1.521 20 10 DDCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000365895178 418920198 /nfs/dbraw/zinc/92/01/98/418920198.db2.gz LLLGVTBGMYECTQ-DGCLKSJQSA-N 1 1 315.373 1.919 20 10 DDCDMO COc1cc([N+](=O)[O-])c(N2CC[N@@H+]3CCOC[C@@H]3C2)cc1OC ZINC000371808030 277389075 /nfs/dbraw/zinc/38/90/75/277389075.db2.gz FRURAEVGQYFWME-NSHDSACASA-N 1 1 323.349 1.133 20 10 DDCDMO COc1cc([N+](=O)[O-])c(N2CC[N@H+]3CCOC[C@@H]3C2)cc1OC ZINC000371808030 277389078 /nfs/dbraw/zinc/38/90/78/277389078.db2.gz FRURAEVGQYFWME-NSHDSACASA-N 1 1 323.349 1.133 20 10 DDCDMO 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CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c1O ZINC000839636420 701762125 /nfs/dbraw/zinc/76/21/25/701762125.db2.gz RLNRCFYIBATPJH-NSHDSACASA-N 1 1 308.353 1.644 20 10 DDCDMO CC1(C)C[NH+](CC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000816897401 702212134 /nfs/dbraw/zinc/21/21/34/702212134.db2.gz FDIZEDIARYXNIC-UHFFFAOYSA-N 1 1 317.433 1.481 20 10 DDCDMO CO[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000879323974 706650253 /nfs/dbraw/zinc/65/02/53/706650253.db2.gz ZXYQSKNECNSXMZ-PBHICJAKSA-N 1 1 319.449 1.868 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)c1 ZINC000840889275 702272092 /nfs/dbraw/zinc/27/20/92/702272092.db2.gz GGBBJVXFSATUPH-QWRGUYRKSA-N 1 1 308.378 1.743 20 10 DDCDMO COCCN1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)CC1=O ZINC000840941643 702287205 /nfs/dbraw/zinc/28/72/05/702287205.db2.gz GARVIBIKZPZREG-UHFFFAOYSA-N 1 1 319.449 1.742 20 10 DDCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cc(C(N)=O)cs2)cc1 ZINC000841041135 702319653 /nfs/dbraw/zinc/31/96/53/702319653.db2.gz AKMBBFZEMJUOGF-HNNXBMFYSA-N 1 1 318.446 1.703 20 10 DDCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cnc3cnccn23)cc1 ZINC000841046315 702321934 /nfs/dbraw/zinc/32/19/34/702321934.db2.gz ZQQIOXHNLGNUKE-MRXNPFEDSA-N 1 1 310.405 1.585 20 10 DDCDMO CN1CCN(c2ccc(CN[C@@H](CC[NH3+])C(F)F)cc2)CC1 ZINC000841075215 702337172 /nfs/dbraw/zinc/33/71/72/702337172.db2.gz YPPIRJZGYLGUAW-HNNXBMFYSA-N 1 1 312.408 1.511 20 10 DDCDMO COc1ccc(N2CCN(CC[NH2+][C@H]3CCC[C@H]3N)CC2)cc1 ZINC000817893529 702510890 /nfs/dbraw/zinc/51/08/90/702510890.db2.gz GNVQCOZALSZFOP-MSOLQXFVSA-N 1 1 318.465 1.287 20 10 DDCDMO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(Cl)cc1O ZINC000841745201 702556322 /nfs/dbraw/zinc/55/63/22/702556322.db2.gz NPADLZMXHMVUCL-SNVBAGLBSA-N 1 1 312.797 1.978 20 10 DDCDMO COc1ccc(N2CC[NH+](CCn3cncn3)CC2)c(OC)c1 ZINC000879461332 706686062 /nfs/dbraw/zinc/68/60/62/706686062.db2.gz AEJOVWGVKPDKCI-UHFFFAOYSA-N 1 1 317.393 1.118 20 10 DDCDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841957685 702635793 /nfs/dbraw/zinc/63/57/93/702635793.db2.gz LBEXNZJKWOCIPQ-CZUORRHYSA-N 1 1 304.438 1.793 20 10 DDCDMO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1cc(Br)c(F)cc1O ZINC000866421080 706694923 /nfs/dbraw/zinc/69/49/23/706694923.db2.gz VSXFCQODWZHEBM-CXTDYRRUSA-N 1 1 320.158 1.704 20 10 DDCDMO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)c1 ZINC000843047067 702808051 /nfs/dbraw/zinc/80/80/51/702808051.db2.gz MXIVUDOQAPJPQK-HNNXBMFYSA-N 1 1 317.433 1.344 20 10 DDCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)c1 ZINC000843047067 702808054 /nfs/dbraw/zinc/80/80/54/702808054.db2.gz MXIVUDOQAPJPQK-HNNXBMFYSA-N 1 1 317.433 1.344 20 10 DDCDMO Oc1ccccc1C[N@@H+](CCc1cn[nH]n1)C[C@@H]1CCCO1 ZINC000821392195 704402869 /nfs/dbraw/zinc/40/28/69/704402869.db2.gz VLBGRJXEIIIEST-HNNXBMFYSA-N 1 1 302.378 1.734 20 10 DDCDMO Oc1ccccc1C[N@H+](CCc1c[nH]nn1)C[C@@H]1CCCO1 ZINC000821392195 704402871 /nfs/dbraw/zinc/40/28/71/704402871.db2.gz VLBGRJXEIIIEST-HNNXBMFYSA-N 1 1 302.378 1.734 20 10 DDCDMO Oc1ccccc1C[N@@H+](CCc1c[nH]nn1)C[C@@H]1CCCO1 ZINC000821392195 704402874 /nfs/dbraw/zinc/40/28/74/704402874.db2.gz VLBGRJXEIIIEST-HNNXBMFYSA-N 1 1 302.378 1.734 20 10 DDCDMO Cc1ccc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(O)c1O ZINC000856253867 704520194 /nfs/dbraw/zinc/52/01/94/704520194.db2.gz PPPUKASGPCTVJL-CYBMUJFWSA-N 1 1 320.389 1.077 20 10 DDCDMO Cc1ccc(O)c(CNC(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000858488971 704717753 /nfs/dbraw/zinc/71/77/53/704717753.db2.gz OVLLJTLODHESDF-UHFFFAOYSA-N 1 1 307.394 1.222 20 10 DDCDMO C[C@H](NC(=O)NCCC[NH+]1CCOCC1)c1ccccc1O ZINC000874981415 705245947 /nfs/dbraw/zinc/24/59/47/705245947.db2.gz NVILWAXSSIHBRJ-ZDUSSCGKSA-N 1 1 307.394 1.475 20 10 DDCDMO CN1C[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CCC1=O ZINC000862427570 705715726 /nfs/dbraw/zinc/71/57/26/705715726.db2.gz BAAFLNPAFOZUQO-KRWDZBQOSA-N 1 1 317.433 1.576 20 10 DDCDMO CCc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC)C2)c1O ZINC000862462259 705719313 /nfs/dbraw/zinc/71/93/13/705719313.db2.gz 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/nfs/dbraw/zinc/88/43/45/705884345.db2.gz KCWRXDHPEZGXRK-CYBMUJFWSA-N 1 1 303.362 1.169 20 10 DDCDMO COc1c(O)c(C[N@@H+](C)C[C@H]2COCCO2)ccc1[N+](=O)[O-] ZINC000827140837 705938339 /nfs/dbraw/zinc/93/83/39/705938339.db2.gz NRCOWANLGXQOLT-NSHDSACASA-N 1 1 312.322 1.156 20 10 DDCDMO COC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)on1 ZINC000876989553 705950260 /nfs/dbraw/zinc/95/02/60/705950260.db2.gz XUBMAVMICYJMAO-UHFFFAOYSA-N 1 1 307.325 1.956 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4COC[C@]4(C)C3)cc2)CC1 ZINC000827280056 705967627 /nfs/dbraw/zinc/96/76/27/705967627.db2.gz CZLLBUMIYOTQFT-MJGOQNOKSA-N 1 1 315.461 1.907 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3C[C@@H]4COC[C@]4(C)C3)cc2)CC1 ZINC000827280056 705967629 /nfs/dbraw/zinc/96/76/29/705967629.db2.gz CZLLBUMIYOTQFT-MJGOQNOKSA-N 1 1 315.461 1.907 20 10 DDCDMO c1cnc2c(n1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000827691818 706051056 /nfs/dbraw/zinc/05/10/56/706051056.db2.gz CDUDMYKQCVUQRH-UHFFFAOYSA-N 1 1 310.401 1.872 20 10 DDCDMO c1cnc2c(n1)CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000827691818 706051059 /nfs/dbraw/zinc/05/10/59/706051059.db2.gz CDUDMYKQCVUQRH-UHFFFAOYSA-N 1 1 310.401 1.872 20 10 DDCDMO COc1cc(Cl)cc(C[N@@H+]2CCSC[C@@H]2CO)c1O ZINC000877779923 706208293 /nfs/dbraw/zinc/20/82/93/706208293.db2.gz IGESSIDOGVHVIJ-NSHDSACASA-N 1 1 303.811 1.964 20 10 DDCDMO COc1cc(Cl)cc(C[N@H+]2CCSC[C@@H]2CO)c1O ZINC000877779923 706208294 /nfs/dbraw/zinc/20/82/94/706208294.db2.gz IGESSIDOGVHVIJ-NSHDSACASA-N 1 1 303.811 1.964 20 10 DDCDMO COc1cc([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1OC ZINC000828987443 706269218 /nfs/dbraw/zinc/26/92/18/706269218.db2.gz DPRBGEAWKNQATD-GXFFZTMASA-N 1 1 307.350 1.752 20 10 DDCDMO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000834904830 707147292 /nfs/dbraw/zinc/14/72/92/707147292.db2.gz RAHAHQQKDBRMOZ-PSOPSSQASA-N 1 1 309.362 1.633 20 10 DDCDMO C[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC[N@H+]1CCO ZINC000835044957 707161552 /nfs/dbraw/zinc/16/15/52/707161552.db2.gz DYNFPGKJGIZSLF-APHBUQMISA-N 1 1 303.450 1.764 20 10 DDCDMO C[C@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)CCN1CCO ZINC000835044957 707161556 /nfs/dbraw/zinc/16/15/56/707161556.db2.gz DYNFPGKJGIZSLF-APHBUQMISA-N 1 1 303.450 1.764 20 10 DDCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000835048764 707162075 /nfs/dbraw/zinc/16/20/75/707162075.db2.gz XZKPUKSWFZUNQB-IMMZDGJCSA-N 1 1 323.462 1.519 20 10 DDCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000835048764 707162079 /nfs/dbraw/zinc/16/20/79/707162079.db2.gz XZKPUKSWFZUNQB-IMMZDGJCSA-N 1 1 323.462 1.519 20 10 DDCDMO CN1CCCC[C@H]([N@@H+](C)Cc2cc3c(cc2O)OCO3)C1=O ZINC000872674140 707552696 /nfs/dbraw/zinc/55/26/96/707552696.db2.gz UGHUOOJZLVLFCE-LBPRGKRZSA-N 1 1 306.362 1.564 20 10 DDCDMO C[S@@](=N)(=O)N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000872798315 707605680 /nfs/dbraw/zinc/60/56/80/707605680.db2.gz RJFYPVRRJJLTJG-NRFANRHFSA-N 1 1 309.435 1.590 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCCNC3=O)cc2)CC1 ZINC000839195580 708035163 /nfs/dbraw/zinc/03/51/63/708035163.db2.gz LAPWQGPUYMOBDC-MRXNPFEDSA-N 1 1 316.449 1.054 20 10 DDCDMO COc1ccc(N(C)CCN(C)C(=O)c2ncoc2C[NH3+])cc1 ZINC000884386565 708274879 /nfs/dbraw/zinc/27/48/79/708274879.db2.gz SYLZOJZYTNPTEC-UHFFFAOYSA-N 1 1 318.377 1.350 20 10 DDCDMO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1CS(N)(=O)=O ZINC000897609149 708392074 /nfs/dbraw/zinc/39/20/74/708392074.db2.gz DPBYITNQZQRUNT-KOLCDFICSA-N 1 1 318.826 1.402 20 10 DDCDMO COc1ccc(C[N@H+]2CCC[C@H](CNC(C)=O)C2)c(O)c1OC ZINC000891402584 710186526 /nfs/dbraw/zinc/18/65/26/710186526.db2.gz RPPFSLATUGJFSK-CYBMUJFWSA-N 1 1 322.405 1.758 20 10 DDCDMO COc1ccc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c(O)c1OC ZINC000891845045 710307988 /nfs/dbraw/zinc/30/79/88/710307988.db2.gz NHIAADGMIYZDSG-LBPRGKRZSA-N 1 1 322.405 1.887 20 10 DDCDMO OCCN1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cc2c(cc1O)OCO2 ZINC000902640820 710835236 /nfs/dbraw/zinc/83/52/36/710835236.db2.gz NFCZDHLFKBYLCD-KBPBESRZSA-N 1 1 320.389 1.152 20 10 DDCDMO 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/nfs/dbraw/zinc/64/72/33/418647233.db2.gz RQFJMHBDPZHGGM-DIECRNLCSA-N 1 1 320.389 1.026 20 10 DDCDMO COc1cccc(CNC(=O)[C@H]2CCCc3[nH+]ccn32)c1O ZINC000377770873 418714521 /nfs/dbraw/zinc/71/45/21/418714521.db2.gz BLRCKEWGYPCZJX-GFCCVEGCSA-N 1 1 301.346 1.791 20 10 DDCDMO CNC(=O)CN1CCC[N@@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000378346709 418721096 /nfs/dbraw/zinc/72/10/96/418721096.db2.gz AVPHBXGKZRWQEE-UHFFFAOYSA-N 1 1 305.422 1.263 20 10 DDCDMO C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@H]21 ZINC000371565310 418801167 /nfs/dbraw/zinc/80/11/67/418801167.db2.gz UKMDUKREFSJCIJ-KBUVRSHFSA-N 1 1 302.374 1.664 20 10 DDCDMO CN1CCc2cc(CNC(=O)N3CC[NH+](C4CC4)CC3)ccc21 ZINC000372457704 418872589 /nfs/dbraw/zinc/87/25/89/418872589.db2.gz ZXFQJUKZUBWJLR-UHFFFAOYSA-N 1 1 314.433 1.669 20 10 DDCDMO C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(N)cc3)CC[C@H]21 ZINC001120591630 782042179 /nfs/dbraw/zinc/04/21/79/782042179.db2.gz DEVLWEKDEYBNIV-GOEBONIOSA-N 1 1 302.422 1.895 20 10 DDCDMO C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000185875872 278172329 /nfs/dbraw/zinc/17/23/29/278172329.db2.gz SSBNRIGXMPLPKP-MRXNPFEDSA-N 1 1 304.482 1.868 20 10 DDCDMO C[C@H](CNC(=O)NCc1ccc2c(c1)CCN2C)[N@@H+](C)C1CC1 ZINC000363769004 332244749 /nfs/dbraw/zinc/24/47/49/332244749.db2.gz PGMYABHCIJVABE-CYBMUJFWSA-N 1 1 316.449 1.961 20 10 DDCDMO CN(C)c1ccc(C2=CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000367523560 332249018 /nfs/dbraw/zinc/24/90/18/332249018.db2.gz CYSVHWVNFYVEMK-QGZVFWFLSA-N 1 1 315.417 1.309 20 10 DDCDMO CN(C)c1ccc(C2=CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000367523560 332249020 /nfs/dbraw/zinc/24/90/20/332249020.db2.gz CYSVHWVNFYVEMK-QGZVFWFLSA-N 1 1 315.417 1.309 20 10 DDCDMO COc1ccc(N2CCC([NH2+]CC(F)(F)CO)CC2)cc1 ZINC000364146043 524402709 /nfs/dbraw/zinc/40/27/09/524402709.db2.gz FFXLXYGCXDYLFP-UHFFFAOYSA-N 1 1 300.349 1.881 20 10 DDCDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cccc(O)c1O ZINC000365666844 526551324 /nfs/dbraw/zinc/55/13/24/526551324.db2.gz AQBYCNFYSHMIBM-VXGBXAGGSA-N 1 1 306.362 1.081 20 10 DDCDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cccc(O)c1O ZINC000365666844 526551327 /nfs/dbraw/zinc/55/13/27/526551327.db2.gz AQBYCNFYSHMIBM-VXGBXAGGSA-N 1 1 306.362 1.081 20 10 DDCDMO CC[C@@H](C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000299504691 535461046 /nfs/dbraw/zinc/46/10/46/535461046.db2.gz OYOXTDQWXJLXDR-OAHLLOKOSA-N 1 1 319.449 1.980 20 10 DDCDMO COc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000745859179 699998588 /nfs/dbraw/zinc/99/85/88/699998588.db2.gz YJSGCNMVZKVRAV-AAEUAGOBSA-N 1 1 307.394 1.683 20 10 DDCDMO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000108433469 696633757 /nfs/dbraw/zinc/63/37/57/696633757.db2.gz QEIBQYNWPQSJPX-HNNXBMFYSA-N 1 1 304.438 1.894 20 10 DDCDMO CCNC(=O)CN1CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC000129177933 696785781 /nfs/dbraw/zinc/78/57/81/696785781.db2.gz VQAULXHWSAKJPF-UHFFFAOYSA-N 1 1 321.421 1.045 20 10 DDCDMO COc1cccc(CNc2nc(N3CCOCC3)cc[nH+]2)c1O ZINC000774523395 697889659 /nfs/dbraw/zinc/88/96/59/697889659.db2.gz CNLPLJXSRHCVOJ-UHFFFAOYSA-N 1 1 316.361 1.640 20 10 DDCDMO COc1cccc(O)c1C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000775191721 697970176 /nfs/dbraw/zinc/97/01/76/697970176.db2.gz KAFODRAIQSIJRU-LBPRGKRZSA-N 1 1 313.419 1.800 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000775191721 697970180 /nfs/dbraw/zinc/97/01/80/697970180.db2.gz KAFODRAIQSIJRU-LBPRGKRZSA-N 1 1 313.419 1.800 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+](C)C[C@H]3CCOC3)cc2)CC1 ZINC000775734161 698027039 /nfs/dbraw/zinc/02/70/39/698027039.db2.gz LYLKNOUZFRLFGA-QGZVFWFLSA-N 1 1 303.450 1.907 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+](C)C[C@H]3CCOC3)cc2)CC1 ZINC000775734161 698027040 /nfs/dbraw/zinc/02/70/40/698027040.db2.gz LYLKNOUZFRLFGA-QGZVFWFLSA-N 1 1 303.450 1.907 20 10 DDCDMO CC[N@@H+](CC(=O)NC)Cc1ccc(Br)cc1O ZINC000701172496 699225555 /nfs/dbraw/zinc/22/55/55/699225555.db2.gz GDGNKXFZLHGUSO-UHFFFAOYSA-N 1 1 301.184 1.723 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CC[C@H](O)C3)cc2)CC1 ZINC000788971560 699351855 /nfs/dbraw/zinc/35/18/55/699351855.db2.gz NMVBWQVHIOQMRG-AEFFLSMTSA-N 1 1 303.450 1.689 20 10 DDCDMO CC[N@H+](CC(N)=O)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000789597784 699397785 /nfs/dbraw/zinc/39/77/85/699397785.db2.gz WLKLUAJMLMLENT-UHFFFAOYSA-N 1 1 320.393 1.892 20 10 DDCDMO CC[N@@H+](CC(N)=O)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000789597784 699397788 /nfs/dbraw/zinc/39/77/88/699397788.db2.gz WLKLUAJMLMLENT-UHFFFAOYSA-N 1 1 320.393 1.892 20 10 DDCDMO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)C3CC3)CC2)c1 ZINC000728299334 699443739 /nfs/dbraw/zinc/44/37/39/699443739.db2.gz GBTHMTQBNJECTB-UHFFFAOYSA-N 1 1 304.390 1.845 20 10 DDCDMO COc1ccc(O)c(CNC(=O)NCCCn2cc[nH+]c2C)c1 ZINC000734066837 699635655 /nfs/dbraw/zinc/63/56/55/699635655.db2.gz ZSMUZGIMHONEJD-UHFFFAOYSA-N 1 1 318.377 1.795 20 10 DDCDMO COc1ccc(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(O)c1 ZINC000792990295 699727078 /nfs/dbraw/zinc/72/70/78/699727078.db2.gz 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ZINC000768444608 701177486 /nfs/dbraw/zinc/17/74/86/701177486.db2.gz ASLDETHFGMDFPE-HOCLYGCPSA-N 1 1 306.406 1.590 20 10 DDCDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444608 701177488 /nfs/dbraw/zinc/17/74/88/701177488.db2.gz ASLDETHFGMDFPE-HOCLYGCPSA-N 1 1 306.406 1.590 20 10 DDCDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000839631379 701760763 /nfs/dbraw/zinc/76/07/63/701760763.db2.gz XPMZPSJAWDTGOJ-OAHLLOKOSA-N 1 1 305.422 1.289 20 10 DDCDMO COC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[N@H+](C)C1 ZINC000839631379 701760768 /nfs/dbraw/zinc/76/07/68/701760768.db2.gz XPMZPSJAWDTGOJ-OAHLLOKOSA-N 1 1 305.422 1.289 20 10 DDCDMO COC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[N@@H+](C)C1 ZINC000839631379 701760773 /nfs/dbraw/zinc/76/07/73/701760773.db2.gz XPMZPSJAWDTGOJ-OAHLLOKOSA-N 1 1 305.422 1.289 20 10 DDCDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816514437 702103025 /nfs/dbraw/zinc/10/30/25/702103025.db2.gz YCMHFFLKHPAPHX-CQSZACIVSA-N 1 1 320.414 1.669 20 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/nfs/dbraw/zinc/36/23/21/702362321.db2.gz HAXGMXAFIJDGQE-LBPRGKRZSA-N 1 1 304.394 1.150 20 10 DDCDMO CC(C)[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)C[C@@H](O)CO ZINC000817417633 702375800 /nfs/dbraw/zinc/37/58/00/702375800.db2.gz MCLXBTBKEMXQMF-GOSISDBHSA-N 1 1 321.465 1.002 20 10 DDCDMO CC(C)[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)C[C@@H](O)CO ZINC000817417633 702375808 /nfs/dbraw/zinc/37/58/08/702375808.db2.gz MCLXBTBKEMXQMF-GOSISDBHSA-N 1 1 321.465 1.002 20 10 DDCDMO CN(C)c1ccc(CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1 ZINC000841654814 702518801 /nfs/dbraw/zinc/51/88/01/702518801.db2.gz PWGKVQSQNMJBLN-INIZCTEOSA-N 1 1 308.401 1.596 20 10 DDCDMO CCN(CC)C(=O)C[C@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938232 702530239 /nfs/dbraw/zinc/53/02/39/702530239.db2.gz HDGVZSOHGTZYAM-WMLDXEAASA-N 1 1 320.481 1.989 20 10 DDCDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841957683 702635746 /nfs/dbraw/zinc/63/57/46/702635746.db2.gz LBEXNZJKWOCIPQ-CJNGLKHVSA-N 1 1 304.438 1.793 20 10 DDCDMO CCN1CCN(c2ccc(CNC(=[NH2+])N3CCC3)cc2F)CC1 ZINC000849111736 703617435 /nfs/dbraw/zinc/61/74/35/703617435.db2.gz CJQYWIYFEZOTRU-UHFFFAOYSA-N 1 1 319.428 1.698 20 10 DDCDMO COc1ccc(N2CCC[N@@H+](C[C@H]3CCC(=O)O3)CC2)cc1 ZINC000851733575 703840019 /nfs/dbraw/zinc/84/00/19/703840019.db2.gz ZYONBNUFTMVHTP-MRXNPFEDSA-N 1 1 304.390 1.913 20 10 DDCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c1O ZINC000852314371 704008225 /nfs/dbraw/zinc/00/82/25/704008225.db2.gz GXCUBEMDOVRBRH-GFCCVEGCSA-N 1 1 318.352 1.848 20 10 DDCDMO COc1cc(O)c(CN2CC[NH+]([C@H]3CCOC3)CC2)cc1OC ZINC000853552522 704266618 /nfs/dbraw/zinc/26/66/18/704266618.db2.gz HFBHUQQECBRDKG-AWEZNQCLSA-N 1 1 322.405 1.316 20 10 DDCDMO COc1cc(O)c(C[NH+]2CCN([C@H]3CCOC3)CC2)cc1OC ZINC000853552522 704266620 /nfs/dbraw/zinc/26/66/20/704266620.db2.gz HFBHUQQECBRDKG-AWEZNQCLSA-N 1 1 322.405 1.316 20 10 DDCDMO Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)ccc1N1CCCCC1 ZINC000854114780 704357562 /nfs/dbraw/zinc/35/75/62/704357562.db2.gz MNUHCLATYJMNEU-WBVHZDCISA-N 1 1 317.433 1.406 20 10 DDCDMO Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)ccc1N1CCCCC1 ZINC000854114780 704357565 /nfs/dbraw/zinc/35/75/65/704357565.db2.gz MNUHCLATYJMNEU-WBVHZDCISA-N 1 1 317.433 1.406 20 10 DDCDMO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3ccccc3O)C2)n1 ZINC000856594438 704533303 /nfs/dbraw/zinc/53/33/03/704533303.db2.gz ZNXPSAVTCBNCIG-QGZVFWFLSA-N 1 1 317.389 1.907 20 10 DDCDMO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000858541433 704724519 /nfs/dbraw/zinc/72/45/19/704724519.db2.gz KBAQYSDBCFHCOW-JTQLQIEISA-N 1 1 312.341 1.251 20 10 DDCDMO COCC(C)(C)N1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000822497775 704960861 /nfs/dbraw/zinc/96/08/61/704960861.db2.gz LKYXNVSPUQTIJM-UHFFFAOYSA-N 1 1 308.422 1.943 20 10 DDCDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H](C)O1 ZINC000859654797 704963895 /nfs/dbraw/zinc/96/38/95/704963895.db2.gz WXWIARWCFOKGJL-CJNGLKHVSA-N 1 1 306.406 1.823 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H](C)O1 ZINC000859654797 704963899 /nfs/dbraw/zinc/96/38/99/704963899.db2.gz WXWIARWCFOKGJL-CJNGLKHVSA-N 1 1 306.406 1.823 20 10 DDCDMO COCC[N@@H+](C)CCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875098010 705281404 /nfs/dbraw/zinc/28/14/04/705281404.db2.gz ULKGLHGZPVUHGT-UHFFFAOYSA-N 1 1 307.394 1.386 20 10 DDCDMO CN(C)c1cc(F)c(C[N@@H+]2CCC(CO)(CO)C2)cc1F ZINC000862419304 705713949 /nfs/dbraw/zinc/71/39/49/705713949.db2.gz QBVIMKHYRXHJNJ-UHFFFAOYSA-N 1 1 300.349 1.208 20 10 DDCDMO CN(C)c1cc(F)c(C[N@H+]2CCC(CO)(CO)C2)cc1F ZINC000862419304 705713952 /nfs/dbraw/zinc/71/39/52/705713952.db2.gz QBVIMKHYRXHJNJ-UHFFFAOYSA-N 1 1 300.349 1.208 20 10 DDCDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3c(C)cccc3O)CCN2C1=O ZINC000876802407 705883226 /nfs/dbraw/zinc/88/32/26/705883226.db2.gz DSFIWXAOFBQWSV-CYBMUJFWSA-N 1 1 303.362 1.169 20 10 DDCDMO COc1c(O)c(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000827151996 705940871 /nfs/dbraw/zinc/94/08/71/705940871.db2.gz OSGDSWXGYGUHIA-UWVGGRQHSA-N 1 1 310.350 1.758 20 10 DDCDMO COc1c(O)c(C[NH2+][C@@H]2C[C@H](O)C23CCC3)ccc1[N+](=O)[O-] ZINC000827364540 705985931 /nfs/dbraw/zinc/98/59/31/705985931.db2.gz FHDYGVDYQHYBHH-NEPJUHHUSA-N 1 1 308.334 1.702 20 10 DDCDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877183445 706009720 /nfs/dbraw/zinc/00/97/20/706009720.db2.gz DTQGAQSFGVPZGJ-GOEBONIOSA-N 1 1 304.434 1.850 20 10 DDCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000827545106 706023279 /nfs/dbraw/zinc/02/32/79/706023279.db2.gz SYCUEVKEVQAKSE-LBPRGKRZSA-N 1 1 307.394 1.589 20 10 DDCDMO COc1c(O)c(CN(C)[C@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000877705986 706183529 /nfs/dbraw/zinc/18/35/29/706183529.db2.gz CVZZNYUMVGHRIL-AWEZNQCLSA-N 1 1 321.377 1.835 20 10 DDCDMO CCOC(=O)[C@@]1(C)C[N@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000872704168 707564757 /nfs/dbraw/zinc/56/47/57/707564757.db2.gz UQACJAAEKPBEGY-QGZVFWFLSA-N 1 1 323.389 1.863 20 10 DDCDMO CCOC(=O)[C@@]1(C)C[N@@H+](Cc2cc(OC)c(C)cc2O)CCO1 ZINC000872704168 707564759 /nfs/dbraw/zinc/56/47/59/707564759.db2.gz UQACJAAEKPBEGY-QGZVFWFLSA-N 1 1 323.389 1.863 20 10 DDCDMO O=C1[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CCN1CC(F)(F)F ZINC000882993463 707888423 /nfs/dbraw/zinc/88/84/23/707888423.db2.gz UYTPSQHECDBSSR-JTQLQIEISA-N 1 1 324.249 1.923 20 10 DDCDMO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883075007 707919339 /nfs/dbraw/zinc/91/93/39/707919339.db2.gz OPJJYCYOPMEKAJ-LLVKDONJSA-N 1 1 320.361 1.184 20 10 DDCDMO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883113465 707930376 /nfs/dbraw/zinc/93/03/76/707930376.db2.gz UFNDPQANWWUSRC-AAEUAGOBSA-N 1 1 303.349 1.918 20 10 DDCDMO C[N@H+]1C[C@@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@]2(C)C1 ZINC000887929017 709168363 /nfs/dbraw/zinc/16/83/63/709168363.db2.gz FPVIRVHQPKPEAM-UECWQGKISA-N 1 1 302.374 1.521 20 10 DDCDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000901131829 709938818 /nfs/dbraw/zinc/93/88/18/709938818.db2.gz PTPHALSAOUJUBE-SCLBCKFNSA-N 1 1 318.417 1.342 20 10 DDCDMO COc1ccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c(O)c1OC ZINC000892103778 710373139 /nfs/dbraw/zinc/37/31/39/710373139.db2.gz MKUCOOBEBABACT-CYBMUJFWSA-N 1 1 321.295 1.909 20 10 DDCDMO COc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)c(O)c1OC ZINC000892247286 710403553 /nfs/dbraw/zinc/40/35/53/710403553.db2.gz VKBAQEWCNIMWQC-GFCCVEGCSA-N 1 1 322.361 1.436 20 10 DDCDMO COc1ccc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)c(O)c1OC ZINC000892247286 710403554 /nfs/dbraw/zinc/40/35/54/710403554.db2.gz VKBAQEWCNIMWQC-GFCCVEGCSA-N 1 1 322.361 1.436 20 10 DDCDMO COc1ccc(O)c(CNC(=O)NCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000892984688 710536721 /nfs/dbraw/zinc/53/67/21/710536721.db2.gz FUFVEYKHTJMPNM-GFCCVEGCSA-N 1 1 307.394 1.542 20 10 DDCDMO COc1ccc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c(O)c1OC ZINC000893555637 710705880 /nfs/dbraw/zinc/70/58/80/710705880.db2.gz LDLHJUFTRQILEH-FVINQWEUSA-N 1 1 301.408 1.608 20 10 DDCDMO OCCN1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc2c(cc1O)OCO2 ZINC000902640821 710835460 /nfs/dbraw/zinc/83/54/60/710835460.db2.gz NFCZDHLFKBYLCD-KGLIPLIRSA-N 1 1 320.389 1.152 20 10 DDCDMO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cc2c(cc1O)OCO2 ZINC000902640821 710835463 /nfs/dbraw/zinc/83/54/63/710835463.db2.gz NFCZDHLFKBYLCD-KGLIPLIRSA-N 1 1 320.389 1.152 20 10 DDCDMO OCC[N@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cc2c(cc1O)OCO2 ZINC000902640821 710835465 /nfs/dbraw/zinc/83/54/65/710835465.db2.gz NFCZDHLFKBYLCD-KGLIPLIRSA-N 1 1 320.389 1.152 20 10 DDCDMO C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911667246 710916981 /nfs/dbraw/zinc/91/69/81/710916981.db2.gz PARXFBNWGNJZCJ-LRDDRELGSA-N 1 1 315.421 1.471 20 10 DDCDMO Oc1c(F)cc(F)cc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000894076217 710953840 /nfs/dbraw/zinc/95/38/40/710953840.db2.gz LIWBUOYKVCNSRI-LBPRGKRZSA-N 1 1 312.360 1.825 20 10 DDCDMO COC(=O)c1cnc(C[NH2+]Cc2ccc(OC)cc2O)s1 ZINC000894638175 711225999 /nfs/dbraw/zinc/22/59/99/711225999.db2.gz QHGAOUNFNKOOPU-UHFFFAOYSA-N 1 1 308.359 1.934 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CCCNC(=O)C3)cc2)CC1 ZINC000895607730 711556872 /nfs/dbraw/zinc/55/68/72/711556872.db2.gz UYZHKJCOEPKNSL-INIZCTEOSA-N 1 1 316.449 1.197 20 10 DDCDMO COC(=O)C12CC(C1)C[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000930966748 713970133 /nfs/dbraw/zinc/97/01/33/713970133.db2.gz CNUMUSJGJHHHLS-UHFFFAOYSA-N 1 1 316.401 1.661 20 10 DDCDMO COC(=O)C12CC(C1)C[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000930966748 713970134 /nfs/dbraw/zinc/97/01/34/713970134.db2.gz CNUMUSJGJHHHLS-UHFFFAOYSA-N 1 1 316.401 1.661 20 10 DDCDMO COc1ccc(N2CCN(C[C@H]3CC4(C[NH2+]C4)CO3)CC2)cc1 ZINC000923318370 714310826 /nfs/dbraw/zinc/31/08/26/714310826.db2.gz IPONQPVCJHMPQC-QGZVFWFLSA-N 1 1 317.433 1.196 20 10 DDCDMO CN(C)C(=O)NC1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142530318 742147872 /nfs/dbraw/zinc/14/78/72/742147872.db2.gz CVZQCZNKUPHKJR-UHFFFAOYSA-N 1 1 313.348 1.906 20 10 DDCDMO CC[N@@H+]1CCCC[C@H]1C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001182001822 743429846 /nfs/dbraw/zinc/42/98/46/743429846.db2.gz VQMUDTILUIPRSD-LBPRGKRZSA-N 1 1 306.362 1.271 20 10 DDCDMO CC[N@H+]1CCCC[C@H]1C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001182001822 743429849 /nfs/dbraw/zinc/42/98/49/743429849.db2.gz VQMUDTILUIPRSD-LBPRGKRZSA-N 1 1 306.362 1.271 20 10 DDCDMO COc1c(O)c(C[NH2+]CCC[C@@H]2CCOC2=O)ccc1[N+](=O)[O-] ZINC001183663597 743888992 /nfs/dbraw/zinc/88/89/92/743888992.db2.gz YIKHAUDJODFUOH-SNVBAGLBSA-N 1 1 324.333 1.742 20 10 DDCDMO C[C@H](NCc1ccc2c(c1)CCCO2)[C@H]1C[N@H+](C)CCN1C ZINC001183930412 743929044 /nfs/dbraw/zinc/92/90/44/743929044.db2.gz RLHRDQIUACSZAA-WMLDXEAASA-N 1 1 303.450 1.736 20 10 DDCDMO C[C@H](NCc1ccc2c(c1)CCCO2)[C@H]1C[N@@H+](C)CCN1C ZINC001183930412 743929046 /nfs/dbraw/zinc/92/90/46/743929046.db2.gz RLHRDQIUACSZAA-WMLDXEAASA-N 1 1 303.450 1.736 20 10 DDCDMO OCC[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1CO ZINC001184364853 744034668 /nfs/dbraw/zinc/03/46/68/744034668.db2.gz YLSUZQOZUBHCIE-ZJUUUORDSA-N 1 1 303.761 1.607 20 10 DDCDMO OCC[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1CO ZINC001184364853 744034672 /nfs/dbraw/zinc/03/46/72/744034672.db2.gz YLSUZQOZUBHCIE-ZJUUUORDSA-N 1 1 303.761 1.607 20 10 DDCDMO CC[N@H+]1CC[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001135732760 771685014 /nfs/dbraw/zinc/68/50/14/771685014.db2.gz FUHCSNIVMYHGNH-QGZVFWFLSA-N 1 1 317.433 1.576 20 10 DDCDMO CC[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](O)C1 ZINC001090839478 772255417 /nfs/dbraw/zinc/25/54/17/772255417.db2.gz MTZKABXFAHQRTH-STQMWFEESA-N 1 1 319.365 1.034 20 10 DDCDMO CN(C)c1ccc(/C=C/C(=O)NCC[NH+]2CC3(COC3)C2)cc1 ZINC001180129733 779616122 /nfs/dbraw/zinc/61/61/22/779616122.db2.gz DVZBKJURERXWGR-VMPITWQZSA-N 1 1 315.417 1.214 20 10 DDCDMO CC[C@H](C)N1C[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)OCC1=O ZINC001272619199 846417459 /nfs/dbraw/zinc/41/74/59/846417459.db2.gz SFNNZUDUXDBRBJ-KSSFIOAISA-N 1 1 318.417 1.994 20 10 DDCDMO CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001273164500 848612774 /nfs/dbraw/zinc/61/27/74/848612774.db2.gz WUCRFCPFTOCPDN-MRXNPFEDSA-N 1 1 324.808 1.726 20 10 DDCDMO CC(C)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc(O)c(O)c3)[C@@H]2C1 ZINC001275821758 853818445 /nfs/dbraw/zinc/81/84/45/853818445.db2.gz YUOKAZNYCLTTOM-UONOGXRCSA-N 1 1 319.405 1.722 20 10 DDCDMO C[C@]1(CO)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1O ZINC001138495320 860119688 /nfs/dbraw/zinc/11/96/88/860119688.db2.gz HFQSOFXIUCTQQU-ZWKOTPCHSA-N 1 1 320.433 1.088 20 10 DDCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](F)[C@@H](O)C3)cc2)CC1 ZINC001139404624 860388825 /nfs/dbraw/zinc/38/88/25/860388825.db2.gz RAXBRJAXMOAJDW-IRXDYDNUSA-N 1 1 307.413 1.343 20 10 DDCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@H](F)[C@@H](O)C3)cc2)CC1 ZINC001139404624 860388833 /nfs/dbraw/zinc/38/88/33/860388833.db2.gz RAXBRJAXMOAJDW-IRXDYDNUSA-N 1 1 307.413 1.343 20 10 DDCDMO OC[C@@H]1C[C@H](F)C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140283445 860612881 /nfs/dbraw/zinc/61/28/81/860612881.db2.gz VANVATMKHOOQDJ-CVEARBPZSA-N 1 1 322.424 1.800 20 10 DDCDMO C[C@@]1(O)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1F ZINC001140283401 860612955 /nfs/dbraw/zinc/61/29/55/860612955.db2.gz SFTQRFZTRULPNC-ZWKOTPCHSA-N 1 1 322.424 1.943 20 10 DDCDMO C[C@@]1(O)CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1F ZINC001140283401 860612963 /nfs/dbraw/zinc/61/29/63/860612963.db2.gz SFTQRFZTRULPNC-ZWKOTPCHSA-N 1 1 322.424 1.943 20 10 DDCDMO CCOC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)Cc2nnn(C)c21 ZINC001140620085 860662745 /nfs/dbraw/zinc/66/27/45/860662745.db2.gz BYEMRFXVYRCAAF-AWEZNQCLSA-N 1 1 316.405 1.965 20 10 DDCDMO CCOC[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)Cc2nnn(C)c21 ZINC001140620085 860662748 /nfs/dbraw/zinc/66/27/48/860662748.db2.gz BYEMRFXVYRCAAF-AWEZNQCLSA-N 1 1 316.405 1.965 20 10 DDCDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCOCC2)cc1F ZINC001140663582 860670536 /nfs/dbraw/zinc/67/05/36/860670536.db2.gz JYRDSNOPASAPEL-CALCHBBNSA-N 1 1 319.424 1.941 20 10 DDCDMO Cc1nccnc1O[C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141162923 860799454 /nfs/dbraw/zinc/79/94/54/860799454.db2.gz KZXUIEZHMHZNJD-CQSZACIVSA-N 1 1 301.346 1.850 20 10 DDCDMO C[NH+]1CCN(c2ccc(CNc3ncc4c(n3)CNC4)cc2)CC1 ZINC001156656481 863233692 /nfs/dbraw/zinc/23/36/92/863233692.db2.gz VZFNYENDKRJJLJ-UHFFFAOYSA-N 1 1 324.432 1.444 20 10 DDCDMO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC001157767433 864117796 /nfs/dbraw/zinc/11/77/96/864117796.db2.gz MNCIZFMHCYSJLK-ZIAGYGMSSA-N 1 1 321.377 1.265 20 10 DDCDMO OCCCOCC[NH2+]Cc1cccc(Br)c1O ZINC001323982498 866992620 /nfs/dbraw/zinc/99/26/20/866992620.db2.gz YOQRPSUNNBNBNR-UHFFFAOYSA-N 1 1 304.184 1.643 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@H](CO)C2)cc1Br ZINC001233138749 886811826 /nfs/dbraw/zinc/81/18/26/886811826.db2.gz CURJXZKGSRQJOQ-VIFPVBQESA-N 1 1 316.195 1.978 20 10 DDCDMO CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccccc3O)C[C@@H]21 ZINC001203551331 870635531 /nfs/dbraw/zinc/63/55/31/870635531.db2.gz CPWQLAKZAQADCT-BFYDXBDKSA-N 1 1 318.417 1.707 20 10 DDCDMO COc1cc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc(O)c1O ZINC001204341393 871061115 /nfs/dbraw/zinc/06/11/15/871061115.db2.gz BKRDXRZGUZBDCX-CYBMUJFWSA-N 1 1 321.295 1.853 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc(O)c1O ZINC001204341393 871061136 /nfs/dbraw/zinc/06/11/36/871061136.db2.gz BKRDXRZGUZBDCX-CYBMUJFWSA-N 1 1 321.295 1.853 20 10 DDCDMO Nc1ccc(CC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC001341094064 871500085 /nfs/dbraw/zinc/50/00/85/871500085.db2.gz NSAVTYIXXWVNKO-CABCVRRESA-N 1 1 305.447 1.507 20 10 DDCDMO CN(C)c1ccc([C@@H](CNC2COCCOC2)[NH+](C)C)cc1 ZINC001308971319 871541545 /nfs/dbraw/zinc/54/15/45/871541545.db2.gz HRCJPAJWBDMSQS-QGZVFWFLSA-N 1 1 307.438 1.360 20 10 DDCDMO C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2F)C[C@H]1[NH3+] ZINC001206075608 872035975 /nfs/dbraw/zinc/03/59/75/872035975.db2.gz RTXMNDWWYOGHHO-CXAGYDPISA-N 1 1 306.429 1.357 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCC(C)C)c1 ZINC001342406427 872192756 /nfs/dbraw/zinc/19/27/56/872192756.db2.gz BJOHFXINZCZHNK-LLVKDONJSA-N 1 1 308.378 1.602 20 10 DDCDMO COCCOCN1C[C@@H]2CC[N@H+](Cc3cccc(F)c3O)[C@@H]2C1 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COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2cn(C)cn2)c1 ZINC000840766872 702232583 /nfs/dbraw/zinc/23/25/83/702232583.db2.gz PJYSXVWKRFKGBU-NSHDSACASA-N 1 1 303.362 1.806 20 10 DDCDMO CC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000812878337 702256928 /nfs/dbraw/zinc/25/69/28/702256928.db2.gz XAXYTSXZUZVEHX-KRWDZBQOSA-N 1 1 319.449 1.822 20 10 DDCDMO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000840945443 702289592 /nfs/dbraw/zinc/28/95/92/702289592.db2.gz OANRNNPOXUXGJY-MRXNPFEDSA-N 1 1 306.406 1.825 20 10 DDCDMO COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000840945443 702289594 /nfs/dbraw/zinc/28/95/94/702289594.db2.gz OANRNNPOXUXGJY-MRXNPFEDSA-N 1 1 306.406 1.825 20 10 DDCDMO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000840974742 702297750 /nfs/dbraw/zinc/29/77/50/702297750.db2.gz NTTIOBKYVUCMHY-OAHLLOKOSA-N 1 1 318.465 1.441 20 10 DDCDMO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCNCC2)c2c1c(F)ccc2O ZINC000817946141 702533153 /nfs/dbraw/zinc/53/31/53/702533153.db2.gz SBXQSBGLTRVAHQ-JQWIXIFHSA-N 1 1 307.369 1.101 20 10 DDCDMO CN(C)c1ccc(CNC(=O)NCC(F)(F)C[NH3+])cc1F ZINC000841762587 702558913 /nfs/dbraw/zinc/55/89/13/702558913.db2.gz YBTFHZBULMQMFS-UHFFFAOYSA-N 1 1 304.316 1.285 20 10 DDCDMO Nc1ccc(CCNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000841833490 702577884 /nfs/dbraw/zinc/57/78/84/702577884.db2.gz ZWYVVVAFUICWKC-MRXNPFEDSA-N 1 1 302.422 1.595 20 10 DDCDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000841892678 702608493 /nfs/dbraw/zinc/60/84/93/702608493.db2.gz QNXKWRZDWKPFPS-HNNXBMFYSA-N 1 1 319.405 1.006 20 10 DDCDMO Cc1cc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)ccc1N(C)C ZINC000842162372 702678734 /nfs/dbraw/zinc/67/87/34/702678734.db2.gz HUXABDIZYSERHO-JKSUJKDBSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(C[N@H+]2C[C@H](C)N(CCO)C[C@H]2C)ccc1N(C)C ZINC000842162372 702678735 /nfs/dbraw/zinc/67/87/35/702678735.db2.gz HUXABDIZYSERHO-JKSUJKDBSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(C[N@@H+]2C[C@H](C)N(CCO)C[C@H]2C)ccc1N(C)C ZINC000842162372 702678736 /nfs/dbraw/zinc/67/87/36/702678736.db2.gz HUXABDIZYSERHO-JKSUJKDBSA-N 1 1 305.466 1.948 20 10 DDCDMO CCN1C[C@@H](C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1=O ZINC000846209294 703251285 /nfs/dbraw/zinc/25/12/85/703251285.db2.gz QEZINMKYYJECCJ-NWDGAFQWSA-N 1 1 320.389 1.698 20 10 DDCDMO CN1CCN(c2ccc(CN[C@H](C[NH3+])C(F)(F)F)cc2)CC1 ZINC000848714118 703579470 /nfs/dbraw/zinc/57/94/70/703579470.db2.gz GSLWOOMHLFSZLT-CQSZACIVSA-N 1 1 316.371 1.418 20 10 DDCDMO CCc1cccc(C[NH2+]C[C@@H](C)CN2CCN(C)CC2)c1O ZINC000848895271 703599584 /nfs/dbraw/zinc/59/95/84/703599584.db2.gz LGTDDFKBIQTDEN-OAHLLOKOSA-N 1 1 305.466 1.928 20 10 DDCDMO CCc1cccc(C[N@H+]2CCN(C)C[C@@H](C(=O)OC)C2)c1O ZINC000848916626 703603118 /nfs/dbraw/zinc/60/31/18/703603118.db2.gz LGBGHGVMPDWJKJ-OAHLLOKOSA-N 1 1 306.406 1.491 20 10 DDCDMO COc1ccc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)cc1 ZINC000855225720 704474052 /nfs/dbraw/zinc/47/40/52/704474052.db2.gz PWDMJPNCEPFWJQ-AWEZNQCLSA-N 1 1 314.389 1.595 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)N(C)OC)c1 ZINC000858587620 704731156 /nfs/dbraw/zinc/73/11/56/704731156.db2.gz QJVKUENPCMJBPT-NXEZZACHSA-N 1 1 310.350 1.238 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)N(C)OC)c1 ZINC000858587621 704731260 /nfs/dbraw/zinc/73/12/60/704731260.db2.gz QJVKUENPCMJBPT-VHSXEESVSA-N 1 1 310.350 1.238 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)C[C@H]2C[C@@H](O)C2)cc1 ZINC000859968130 705058080 /nfs/dbraw/zinc/05/80/80/705058080.db2.gz SNYOGVNUZNNNHH-FZNQNYSPSA-N 1 1 305.422 1.072 20 10 DDCDMO COCCCNC(=O)C[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835024858 707157265 /nfs/dbraw/zinc/15/72/65/707157265.db2.gz DKUGXVKKHHWOKR-ALCCZGGFSA-N 1 1 319.449 1.850 20 10 DDCDMO COCCCNC(=O)C[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835024858 707157266 /nfs/dbraw/zinc/15/72/66/707157266.db2.gz DKUGXVKKHHWOKR-ALCCZGGFSA-N 1 1 319.449 1.850 20 10 DDCDMO CNS(=O)(=O)[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835028421 707158747 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1 1 317.345 1.637 20 10 DDCDMO Oc1cc(C[N@H+]2CCC[C@@H](Oc3cnccn3)C2)cc(O)c1O ZINC001233015754 886729008 /nfs/dbraw/zinc/72/90/08/886729008.db2.gz GULBSUOBXNGIAH-GFCCVEGCSA-N 1 1 317.345 1.637 20 10 DDCDMO Oc1cc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)cc(O)c1O ZINC001233015970 886730641 /nfs/dbraw/zinc/73/06/41/886730641.db2.gz LABLTZHTQRUWNY-LLVKDONJSA-N 1 1 303.318 1.247 20 10 DDCDMO Oc1cc(C[N@H+]2CC[C@@H](Oc3cnccn3)C2)cc(O)c1O ZINC001233015970 886730652 /nfs/dbraw/zinc/73/06/52/886730652.db2.gz LABLTZHTQRUWNY-LLVKDONJSA-N 1 1 303.318 1.247 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1N ZINC001236353236 889210147 /nfs/dbraw/zinc/21/01/47/889210147.db2.gz MXSWNADHZHEFKX-CABCVRRESA-N 1 1 300.358 1.478 20 10 DDCDMO COC(=O)[C@@H]1CN(Cc2c(O)ccc3ccccc32)C[C@@H]1[NH3+] ZINC001236353236 889210155 /nfs/dbraw/zinc/21/01/55/889210155.db2.gz MXSWNADHZHEFKX-CABCVRRESA-N 1 1 300.358 1.478 20 10 DDCDMO Cc1cc(Br)c(O)c(C[N@H+](C)C[C@@H](O)CO)c1 ZINC001236667540 889297305 /nfs/dbraw/zinc/29/73/05/889297305.db2.gz YZYWIQFPWLNYCE-SNVBAGLBSA-N 1 1 304.184 1.248 20 10 DDCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C[C@@H](O)CO)c1 ZINC001236667540 889297322 /nfs/dbraw/zinc/29/73/22/889297322.db2.gz YZYWIQFPWLNYCE-SNVBAGLBSA-N 1 1 304.184 1.248 20 10 DDCDMO Cc1cc(Br)c([O-])c(C[N@@H+](C)C[C@@H](O)CO)c1 ZINC001236667540 889297293 /nfs/dbraw/zinc/29/72/93/889297293.db2.gz YZYWIQFPWLNYCE-SNVBAGLBSA-N 1 1 304.184 1.248 20 10 DDCDMO COc1cc(C)c(C[NH+]2CCN(CC(C)(C)O)CC2)c(O)c1 ZINC001236816710 889372228 /nfs/dbraw/zinc/37/22/28/889372228.db2.gz VIXDMSAPJNNSAF-UHFFFAOYSA-N 1 1 308.422 1.598 20 10 DDCDMO COCC[NH+]1CCN(Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237125034 889513039 /nfs/dbraw/zinc/51/30/39/889513039.db2.gz VHNYYJADFKKYCF-UHFFFAOYSA-N 1 1 302.777 1.949 20 10 DDCDMO Cc1cccc(O)c1C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001237489799 889666263 /nfs/dbraw/zinc/66/62/63/889666263.db2.gz KAQNTCVEHNDCAD-INIZCTEOSA-N 1 1 318.417 1.914 20 10 DDCDMO COC(=O)Cc1ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c(O)c1 ZINC001249177573 893853112 /nfs/dbraw/zinc/85/31/12/893853112.db2.gz DRKNZXAZMBDGPJ-SHTZXODSSA-N 1 1 307.390 1.843 20 10 DDCDMO COc1ccc(N2CCN(C(=O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000046601755 352456747 /nfs/dbraw/zinc/45/67/47/352456747.db2.gz LYROIFLWRJGZCG-UHFFFAOYSA-N 1 1 303.406 1.438 20 10 DDCDMO C[N@@H+](CCN1CCOCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000072981081 191264791 /nfs/dbraw/zinc/26/47/91/191264791.db2.gz YFUJWJDGKXFWBW-UHFFFAOYSA-N 1 1 319.449 1.287 20 10 DDCDMO CCOc1ccc(O)c(C[NH+]2CCN([C@H](CC)CO)CC2)c1 ZINC000093740316 353904716 /nfs/dbraw/zinc/90/47/16/353904716.db2.gz BSYYIGZWZOOYQO-OAHLLOKOSA-N 1 1 308.422 1.679 20 10 DDCDMO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cccc(OC)c1O ZINC000093417228 193246695 /nfs/dbraw/zinc/24/66/95/193246695.db2.gz VWTUHMUFNIAHSD-LLVKDONJSA-N 1 1 301.408 1.656 20 10 DDCDMO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1O ZINC000093417228 193246697 /nfs/dbraw/zinc/24/66/97/193246697.db2.gz 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ZINC000185880932 407529579 /nfs/dbraw/zinc/52/95/79/407529579.db2.gz VIJNIYWMLAMDFM-OAHLLOKOSA-N 1 1 321.465 1.907 20 10 DDCDMO COc1cccc(CNC(=O)[C@H](C)[NH+]2CCSCC2)c1O ZINC000153999480 407948495 /nfs/dbraw/zinc/94/84/95/407948495.db2.gz UBXKRKJDNGQWDZ-NSHDSACASA-N 1 1 310.419 1.454 20 10 DDCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000281313526 408879334 /nfs/dbraw/zinc/87/93/34/408879334.db2.gz QQZSQBLFFDOQEG-OCCSQVGLSA-N 1 1 306.362 1.721 20 10 DDCDMO COc1c(O)c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292852268 409043552 /nfs/dbraw/zinc/04/35/52/409043552.db2.gz UHIDUJSBDXDJFH-INIZCTEOSA-N 1 1 321.377 1.837 20 10 DDCDMO CC[N@H+](CCC(=O)OC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278200208 409077511 /nfs/dbraw/zinc/07/75/11/409077511.db2.gz IXKWRQAPXBAKAD-UHFFFAOYSA-N 1 1 312.322 1.694 20 10 DDCDMO CC[N@@H+](CCC(=O)OC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278200208 409077515 /nfs/dbraw/zinc/07/75/15/409077515.db2.gz IXKWRQAPXBAKAD-UHFFFAOYSA-N 1 1 312.322 1.694 20 10 DDCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@]2(CCOC2)O1 ZINC000280182091 409265062 /nfs/dbraw/zinc/26/50/62/409265062.db2.gz GTYZTVINDPWHNA-BZNIZROVSA-N 1 1 307.346 1.501 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H](O)C(C)(C)C2)cc1 ZINC000279767718 409247900 /nfs/dbraw/zinc/24/79/00/409247900.db2.gz MUSAICKSUGSWFC-OAHLLOKOSA-N 1 1 305.422 1.072 20 10 DDCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@]2(CCOC2)O1 ZINC000280264432 409280459 /nfs/dbraw/zinc/28/04/59/409280459.db2.gz MAQYYLVEEORZHH-QGZVFWFLSA-N 1 1 321.373 1.891 20 10 DDCDMO COC(C[N@@H+](CCCO)Cc1ccc(N(C)C)c(C)c1)OC ZINC000294577674 409294614 /nfs/dbraw/zinc/29/46/14/409294614.db2.gz MMTUCPQADHTRHM-UHFFFAOYSA-N 1 1 310.438 1.864 20 10 DDCDMO CCn1nc(C)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC000296218826 409466040 /nfs/dbraw/zinc/46/60/40/409466040.db2.gz BTTCYXVMKJPGAH-UHFFFAOYSA-N 1 1 315.421 1.733 20 10 DDCDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000193142979 222145787 /nfs/dbraw/zinc/14/57/87/222145787.db2.gz ZJTPCKCKZQWQPV-UHFFFAOYSA-N 1 1 315.373 1.926 20 10 DDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000377694897 418713075 /nfs/dbraw/zinc/71/30/75/418713075.db2.gz LTAPEUFYIUGPNI-GFCCVEGCSA-N 1 1 314.389 2.153 20 10 DDCDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000368135824 418694692 /nfs/dbraw/zinc/69/46/92/418694692.db2.gz RSTQTXMGLHVODX-VIFPVBQESA-N 1 1 313.195 1.852 20 10 DDCDMO COc1cc(O)c(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1OC ZINC000362617542 418757725 /nfs/dbraw/zinc/75/77/25/418757725.db2.gz QHNMBGUNFHYSNO-RHSMWYFYSA-N 1 1 323.389 1.789 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1OC ZINC000362617542 418757728 /nfs/dbraw/zinc/75/77/28/418757728.db2.gz QHNMBGUNFHYSNO-RHSMWYFYSA-N 1 1 323.389 1.789 20 10 DDCDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCN2C1=O ZINC000378368530 418722510 /nfs/dbraw/zinc/72/25/10/418722510.db2.gz GWOXGRLKUPBEQC-GFCCVEGCSA-N 1 1 323.780 1.514 20 10 DDCDMO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296563701 278231699 /nfs/dbraw/zinc/23/16/99/278231699.db2.gz UNKMCIXIFGUVAX-HOCLYGCPSA-N 1 1 303.450 1.995 20 10 DDCDMO CC[C@@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1ccc(F)cc1O ZINC000287764032 535804163 /nfs/dbraw/zinc/80/41/63/535804163.db2.gz ZXBJZRFMYOIMCL-GFCCVEGCSA-N 1 1 322.340 1.650 20 10 DDCDMO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000746105027 700004943 /nfs/dbraw/zinc/00/49/43/700004943.db2.gz MAVZGQORLOIVRI-QGZVFWFLSA-N 1 1 319.449 1.822 20 10 DDCDMO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000746105027 700004945 /nfs/dbraw/zinc/00/49/45/700004945.db2.gz MAVZGQORLOIVRI-QGZVFWFLSA-N 1 1 319.449 1.822 20 10 DDCDMO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cccc(Br)c1O ZINC000078639198 696453042 /nfs/dbraw/zinc/45/30/42/696453042.db2.gz VMSQCEGDKHAEHH-QMMMGPOBSA-N 1 1 322.224 1.677 20 10 DDCDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000799347829 700137908 /nfs/dbraw/zinc/13/79/08/700137908.db2.gz OSCUTNJCODAVJM-PBHICJAKSA-N 1 1 316.449 1.053 20 10 DDCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1CO ZINC000785983680 699115269 /nfs/dbraw/zinc/11/52/69/699115269.db2.gz BISNVFVQGSUOGM-SUMWQHHRSA-N 1 1 308.397 1.865 20 10 DDCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1C ZINC000787244267 699199585 /nfs/dbraw/zinc/19/95/85/699199585.db2.gz YDBMXYJCHZOYQZ-PXWWUCIGSA-N 1 1 307.346 1.201 20 10 DDCDMO COc1cccc(O)c1C[N@@H+](C)CCN1CCOC(C)(C)C1 ZINC000789766179 699407383 /nfs/dbraw/zinc/40/73/83/699407383.db2.gz XHTYWRHRZCWDKO-UHFFFAOYSA-N 1 1 308.422 1.943 20 10 DDCDMO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1 ZINC000792989250 699726822 /nfs/dbraw/zinc/72/68/22/699726822.db2.gz YLGLSYIVPOZPKH-DGCLKSJQSA-N 1 1 307.394 1.683 20 10 DDCDMO COc1ccc(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(O)c1 ZINC000792990293 699727153 /nfs/dbraw/zinc/72/71/53/699727153.db2.gz SFMQEJIPZKMZOA-WCQYABFASA-N 1 1 319.405 1.825 20 10 DDCDMO COc1ccc(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(O)c1 ZINC000792990291 699727159 /nfs/dbraw/zinc/72/71/59/699727159.db2.gz SFMQEJIPZKMZOA-DGCLKSJQSA-N 1 1 319.405 1.825 20 10 DDCDMO COc1ccc(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1F ZINC000753743007 700453236 /nfs/dbraw/zinc/45/32/36/700453236.db2.gz ZTOPIGJJTCEVPH-CYBMUJFWSA-N 1 1 321.396 1.435 20 10 DDCDMO C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cc(F)cc(F)c1O ZINC000756489220 700623912 /nfs/dbraw/zinc/62/39/12/700623912.db2.gz GZNKBQBYCVSFSB-SNVBAGLBSA-N 1 1 313.348 1.095 20 10 DDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c1 ZINC000756547314 700627187 /nfs/dbraw/zinc/62/71/87/700627187.db2.gz ZAXRVCLZUZZGHT-QWHCGFSZSA-N 1 1 322.405 1.550 20 10 DDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@]2(C)CO)cc1 ZINC000759899671 700780533 /nfs/dbraw/zinc/78/05/33/700780533.db2.gz AKTPVYOLPVVJGP-GOSISDBHSA-N 1 1 319.449 1.558 20 10 DDCDMO Cc1ccc(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c(O)c1O ZINC000771659137 701327365 /nfs/dbraw/zinc/32/73/65/701327365.db2.gz ZPQYTUXSONBZGA-ZDUSSCGKSA-N 1 1 321.421 1.162 20 10 DDCDMO CN1CCN(c2ccc(C[NH2+]CC3=CCCOC3)cc2)CC1 ZINC000808430584 701517898 /nfs/dbraw/zinc/51/78/98/701517898.db2.gz RFWVEFRPCHTABD-UHFFFAOYSA-N 1 1 301.434 1.875 20 10 DDCDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839538018 701729702 /nfs/dbraw/zinc/72/97/02/701729702.db2.gz ZQPSBEPYCYMDDU-GJZGRUSLSA-N 1 1 318.465 1.393 20 10 DDCDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840185498 702018400 /nfs/dbraw/zinc/01/84/00/702018400.db2.gz PUHROPUKEGMYQG-WMLDXEAASA-N 1 1 321.373 1.593 20 10 DDCDMO OC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[C@H]1O ZINC000840977017 702300234 /nfs/dbraw/zinc/30/02/34/702300234.db2.gz ZYRUASVATWLQLB-ZWNOBZJWSA-N 1 1 316.195 1.330 20 10 DDCDMO COc1c(O)c(C[NH2+][C@H]2CCC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000840977450 702300430 /nfs/dbraw/zinc/30/04/30/702300430.db2.gz HWOMWCHNXCIGBH-JQWIXIFHSA-N 1 1 310.350 1.950 20 10 DDCDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841019340 702313105 /nfs/dbraw/zinc/31/31/05/702313105.db2.gz IALPLLUVCDYSAK-STQMWFEESA-N 1 1 318.421 1.444 20 10 DDCDMO COC(=O)c1cc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)c[nH]1 ZINC000841045651 702321432 /nfs/dbraw/zinc/32/14/32/702321432.db2.gz NQIBVRCXJYDQAQ-HNNXBMFYSA-N 1 1 316.405 1.657 20 10 DDCDMO C[N@@H+](CCNC(=O)C(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000841045687 702321625 /nfs/dbraw/zinc/32/16/25/702321625.db2.gz OFZVKGZINLRKOR-UHFFFAOYSA-N 1 1 304.394 1.198 20 10 DDCDMO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000817412925 702372629 /nfs/dbraw/zinc/37/26/29/702372629.db2.gz RCSNEFSFGVHWGR-NVXWUHKLSA-N 1 1 304.434 1.974 20 10 DDCDMO Nc1ccc(CCNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000841833489 702577543 /nfs/dbraw/zinc/57/75/43/702577543.db2.gz ZWYVVVAFUICWKC-INIZCTEOSA-N 1 1 302.422 1.595 20 10 DDCDMO Cc1cc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)ccc1N(C)C ZINC000842162360 702678968 /nfs/dbraw/zinc/67/89/68/702678968.db2.gz HUXABDIZYSERHO-CVEARBPZSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(C[N@H+]2C[C@@H](C)N(CCO)C[C@@H]2C)ccc1N(C)C ZINC000842162360 702678970 /nfs/dbraw/zinc/67/89/70/702678970.db2.gz HUXABDIZYSERHO-CVEARBPZSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(C[N@@H+]2C[C@@H](C)N(CCO)C[C@@H]2C)ccc1N(C)C ZINC000842162360 702678971 /nfs/dbraw/zinc/67/89/71/702678971.db2.gz HUXABDIZYSERHO-CVEARBPZSA-N 1 1 305.466 1.948 20 10 DDCDMO [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843048164 702807776 /nfs/dbraw/zinc/80/77/76/702807776.db2.gz QUAWNEUENZLNGJ-GFCCVEGCSA-N 1 1 311.813 1.333 20 10 DDCDMO CCOc1ccc(O)c(CN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000843124791 702824501 /nfs/dbraw/zinc/82/45/01/702824501.db2.gz NLUHLKQPZCJGEA-HNNXBMFYSA-N 1 1 305.422 1.270 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)CCCN2CCOCC2)cc1 ZINC000844402183 703026533 /nfs/dbraw/zinc/02/65/33/703026533.db2.gz WGOSOXAGDCMGAY-UHFFFAOYSA-N 1 1 321.465 1.786 20 10 DDCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C1CC1 ZINC000844761866 703070305 /nfs/dbraw/zinc/07/03/05/703070305.db2.gz RYZIDVHYESFWPM-QWHCGFSZSA-N 1 1 319.357 1.752 20 10 DDCDMO CCN1C[C@H](C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1=O ZINC000846209291 703251313 /nfs/dbraw/zinc/25/13/13/703251313.db2.gz QEZINMKYYJECCJ-NEPJUHHUSA-N 1 1 320.389 1.698 20 10 DDCDMO COc1ccc(N(C)CCN(C)C(=O)C[N@@H+](C)C(C)C)cc1 ZINC000846445676 703277388 /nfs/dbraw/zinc/27/73/88/703277388.db2.gz DEQCWXDKFVXCMO-UHFFFAOYSA-N 1 1 307.438 1.930 20 10 DDCDMO COCC[N@@H+]1CCN(C(=O)c2ccc(C)c(O)c2O)C(C)(C)C1 ZINC000846564561 703298327 /nfs/dbraw/zinc/29/83/27/703298327.db2.gz ZCVMHDYLTJUBEM-UHFFFAOYSA-N 1 1 322.405 1.589 20 10 DDCDMO COCC[N@H+]1CCN(C(=O)c2ccc(C)c(O)c2O)C(C)(C)C1 ZINC000846564561 703298328 /nfs/dbraw/zinc/29/83/28/703298328.db2.gz ZCVMHDYLTJUBEM-UHFFFAOYSA-N 1 1 322.405 1.589 20 10 DDCDMO COc1ccc(N2CCC[N@@H+](CC[C@H]3CCNC3=O)CC2)cc1 ZINC000846777500 703330158 /nfs/dbraw/zinc/33/01/58/703330158.db2.gz KDTFRCPSATWOJB-OAHLLOKOSA-N 1 1 317.433 1.734 20 10 DDCDMO CCc1cccc(C[N@H+]2C[C@H](CO)C[C@@H](OCCOC)C2)c1O ZINC000848906557 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O=C(NCC[NH+]1CCSCC1)N1Cc2cccc(O)c2C1 ZINC000875275994 705337629 /nfs/dbraw/zinc/33/76/29/705337629.db2.gz VRBARTAUOZCXCQ-UHFFFAOYSA-N 1 1 307.419 1.466 20 10 DDCDMO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000824636522 705497703 /nfs/dbraw/zinc/49/77/03/705497703.db2.gz ROHHKSLMNCKRGK-NWDGAFQWSA-N 1 1 310.350 1.902 20 10 DDCDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000824636522 705497704 /nfs/dbraw/zinc/49/77/04/705497704.db2.gz ROHHKSLMNCKRGK-NWDGAFQWSA-N 1 1 310.350 1.902 20 10 DDCDMO COCC(COC)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000824921802 705559184 /nfs/dbraw/zinc/55/91/84/705559184.db2.gz SMALLCLNUZNWJM-UHFFFAOYSA-N 1 1 307.438 1.189 20 10 DDCDMO Cc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)c(O)c1O ZINC000862217011 705680672 /nfs/dbraw/zinc/68/06/72/705680672.db2.gz ROMZXLFBGICSQY-UHFFFAOYSA-N 1 1 320.389 1.343 20 10 DDCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000876513424 705741394 /nfs/dbraw/zinc/74/13/94/705741394.db2.gz LXXNDKXQCYCVFL-CYBMUJFWSA-N 1 1 312.435 1.462 20 10 DDCDMO Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c(O)c1 ZINC000876536793 705749494 /nfs/dbraw/zinc/74/94/94/705749494.db2.gz GXFJACHGMVFLNP-MRXNPFEDSA-N 1 1 304.390 1.524 20 10 DDCDMO Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(O)c1 ZINC000876558039 705757771 /nfs/dbraw/zinc/75/77/71/705757771.db2.gz HMRMHLGARKHYKN-MRXNPFEDSA-N 1 1 318.417 1.771 20 10 DDCDMO Cc1ccc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(O)c1 ZINC000876715348 705835416 /nfs/dbraw/zinc/83/54/16/705835416.db2.gz MLLJMHRFVINELQ-KRWDZBQOSA-N 1 1 303.450 1.912 20 10 DDCDMO Cc1ccc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(O)c1 ZINC000876715348 705835418 /nfs/dbraw/zinc/83/54/18/705835418.db2.gz MLLJMHRFVINELQ-KRWDZBQOSA-N 1 1 303.450 1.912 20 10 DDCDMO CCOc1cccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827140339 705938545 /nfs/dbraw/zinc/93/85/45/705938545.db2.gz KONRIZABOOGNDB-OCCSQVGLSA-N 1 1 304.390 1.891 20 10 DDCDMO COCC[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876987148 705949508 /nfs/dbraw/zinc/94/95/08/705949508.db2.gz QLJZPWLMYLVNAG-UHFFFAOYSA-N 1 1 300.349 1.871 20 10 DDCDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877595679 706153367 /nfs/dbraw/zinc/15/33/67/706153367.db2.gz HALFUPPTJUCXMG-OAHLLOKOSA-N 1 1 317.433 1.216 20 10 DDCDMO COC(=O)C1CC([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000877721533 706189198 /nfs/dbraw/zinc/18/91/98/706189198.db2.gz QNZTXZBKTDZDPZ-UHFFFAOYSA-N 1 1 317.433 1.480 20 10 DDCDMO CC(C)(O)C[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000878239872 706335833 /nfs/dbraw/zinc/33/58/33/706335833.db2.gz ALPMSZBCKARQRY-CVEARBPZSA-N 1 1 323.433 1.895 20 10 DDCDMO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2coc(CN)c2)cc1 ZINC000832271942 706882509 /nfs/dbraw/zinc/88/25/09/706882509.db2.gz AEIMHGOSZUUCAC-OAHLLOKOSA-N 1 1 302.378 1.234 20 10 DDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CNC(=O)C2)c1 ZINC000926983508 712926718 /nfs/dbraw/zinc/92/67/18/712926718.db2.gz WVQYOYDVOQZOLC-QWRGUYRKSA-N 1 1 306.362 1.356 20 10 DDCDMO CCN1C[C@@H]([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1=O ZINC000834892407 707146558 /nfs/dbraw/zinc/14/65/58/707146558.db2.gz VHMLGHKJPQGVJG-JQWIXIFHSA-N 1 1 306.362 1.450 20 10 DDCDMO CCO[C@H](CNCc1ccc(OC)c(OC)c1O)C[NH+](C)C ZINC000896876676 708170180 /nfs/dbraw/zinc/17/01/80/708170180.db2.gz FCGCDDAITBQSAJ-CYBMUJFWSA-N 1 1 312.410 1.466 20 10 DDCDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000897063363 708220762 /nfs/dbraw/zinc/22/07/62/708220762.db2.gz UGYNEDXSZUWRJE-BWPKMQGJSA-N 1 1 323.462 1.376 20 10 DDCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)c(Cl)c1 ZINC000897063784 708221119 /nfs/dbraw/zinc/22/11/19/708221119.db2.gz VUVDIPVLTXEQPA-JTQLQIEISA-N 1 1 318.826 1.464 20 10 DDCDMO CN(C)c1ccc([C@H](C[NH2+]Cc2nccn2C)N(C)C)cc1 ZINC000898450844 708644101 /nfs/dbraw/zinc/64/41/01/708644101.db2.gz FWWWTIIURRFAJK-INIZCTEOSA-N 1 1 301.438 1.879 20 10 DDCDMO Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(O)c1O ZINC000889760079 709618108 /nfs/dbraw/zinc/61/81/08/709618108.db2.gz BBMAYUBTEZDGCJ-KBPBESRZSA-N 1 1 320.389 1.077 20 10 DDCDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1cccc(O)c1O ZINC000928093836 713127854 /nfs/dbraw/zinc/12/78/54/713127854.db2.gz ZBXZVDICYOFPDR-NWDGAFQWSA-N 1 1 308.403 1.407 20 10 DDCDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1cccc(O)c1O ZINC000928093836 713127855 /nfs/dbraw/zinc/12/78/55/713127855.db2.gz ZBXZVDICYOFPDR-NWDGAFQWSA-N 1 1 308.403 1.407 20 10 DDCDMO COc1ccc(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c(O)c1OC ZINC000894954965 711337266 /nfs/dbraw/zinc/33/72/66/711337266.db2.gz FCCCNRWMDBLUSE-OLZOCXBDSA-N 1 1 324.421 1.296 20 10 DDCDMO COc1ccc(C[N@@H+]2C[C@@H](C)N(CCO)C[C@@H]2C)c(O)c1OC ZINC000894954965 711337269 /nfs/dbraw/zinc/33/72/69/711337269.db2.gz FCCCNRWMDBLUSE-OLZOCXBDSA-N 1 1 324.421 1.296 20 10 DDCDMO COc1ccc(C[N@H+]2C[C@@H](C)N(CCO)C[C@@H]2C)c(O)c1OC ZINC000894954965 711337272 /nfs/dbraw/zinc/33/72/72/711337272.db2.gz FCCCNRWMDBLUSE-OLZOCXBDSA-N 1 1 324.421 1.296 20 10 DDCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)cc1OC 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/nfs/dbraw/zinc/05/89/12/409058912.db2.gz OFZSVPNQMBIIGF-KRWDZBQOSA-N 1 1 319.449 1.558 20 10 DDCDMO C[N@H+](CCN1CCOCC1)Cc1cc(Cl)c(F)cc1O ZINC000295238031 409391122 /nfs/dbraw/zinc/39/11/22/409391122.db2.gz DOUGHTBJRDNLPJ-UHFFFAOYSA-N 1 1 302.777 1.949 20 10 DDCDMO C[N@@H+](CCN1CCOCC1)Cc1cc(Cl)c(F)cc1O ZINC000295238031 409391128 /nfs/dbraw/zinc/39/11/28/409391128.db2.gz DOUGHTBJRDNLPJ-UHFFFAOYSA-N 1 1 302.777 1.949 20 10 DDCDMO COc1cccc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000290490711 409420550 /nfs/dbraw/zinc/42/05/50/409420550.db2.gz OOASPAGQTBSBEX-CQSZACIVSA-N 1 1 304.390 1.845 20 10 DDCDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cccc(O)c1O ZINC000290690481 409488173 /nfs/dbraw/zinc/48/81/73/409488173.db2.gz RNLMMVFZVIUZKE-UHFFFAOYSA-N 1 1 309.410 1.053 20 10 DDCDMO CN(CCCN(C)C(=O)c1cccc(O)c1O)CC[NH+](C)C ZINC000290690481 409488179 /nfs/dbraw/zinc/48/81/79/409488179.db2.gz RNLMMVFZVIUZKE-UHFFFAOYSA-N 1 1 309.410 1.053 20 10 DDCDMO CCOC1CC([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000298537070 410279191 /nfs/dbraw/zinc/27/91/91/410279191.db2.gz MTEYPKFKPVQKME-UHFFFAOYSA-N 1 1 319.449 1.868 20 10 DDCDMO O=C1NC(=O)[C@]2(CC[N@H+](Cc3c(O)ccc4ccccc43)C2)N1 ZINC000361152705 418593696 /nfs/dbraw/zinc/59/36/96/418593696.db2.gz FBCVNAWLPDTOBV-QGZVFWFLSA-N 1 1 311.341 1.329 20 10 DDCDMO O=C([C@H]1CCCO1)N1CCC[N@H+](Cc2cccc(F)c2[O-])CC1 ZINC000378503067 418724297 /nfs/dbraw/zinc/72/42/97/418724297.db2.gz XWBDCCDNSNSCEE-OAHLLOKOSA-N 1 1 322.380 1.745 20 10 DDCDMO O=C([C@H]1CCCO1)N1CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC000378503067 418724299 /nfs/dbraw/zinc/72/42/99/418724299.db2.gz XWBDCCDNSNSCEE-OAHLLOKOSA-N 1 1 322.380 1.745 20 10 DDCDMO O=C([C@H]1CCCO1)N1CCC[N@H+](Cc2cccc(F)c2O)CC1 ZINC000378503067 418724300 /nfs/dbraw/zinc/72/43/00/418724300.db2.gz XWBDCCDNSNSCEE-OAHLLOKOSA-N 1 1 322.380 1.745 20 10 DDCDMO COc1cccc(C[N@@H+]2CCc3ncnc(N(C)C)c3C2)c1O ZINC000371382736 418786765 /nfs/dbraw/zinc/78/67/65/418786765.db2.gz KSAPUGPJDJLIJF-UHFFFAOYSA-N 1 1 314.389 1.815 20 10 DDCDMO COc1cccc(C[N@H+]2CCc3ncnc(N(C)C)c3C2)c1O ZINC000371382736 418786767 /nfs/dbraw/zinc/78/67/67/418786767.db2.gz KSAPUGPJDJLIJF-UHFFFAOYSA-N 1 1 314.389 1.815 20 10 DDCDMO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3ccccc3O)C2)nn1 ZINC000372039558 418833146 /nfs/dbraw/zinc/83/31/46/418833146.db2.gz UCRLTJBKLOJSHO-ZDUSSCGKSA-N 1 1 316.361 1.607 20 10 DDCDMO CC[C@H](c1ccccc1O)[N@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000368008119 288167333 /nfs/dbraw/zinc/16/73/33/288167333.db2.gz HXPMVPBRHIYXSJ-WBMJQRKESA-N 1 1 303.362 1.469 20 10 DDCDMO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1cccc(OC)c1O ZINC000360000717 337083644 /nfs/dbraw/zinc/08/36/44/337083644.db2.gz STJJJUCHIBJQLB-QWHCGFSZSA-N 1 1 309.362 1.553 20 10 DDCDMO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1cccc(OC)c1O ZINC000360000717 337083645 /nfs/dbraw/zinc/08/36/45/337083645.db2.gz STJJJUCHIBJQLB-QWHCGFSZSA-N 1 1 309.362 1.553 20 10 DDCDMO CCN(CC)c1ccc(CNC(=O)[C@H]2COCC[NH2+]2)cc1F ZINC000236913355 520902253 /nfs/dbraw/zinc/90/22/53/520902253.db2.gz IRVDIVSZRCERKV-CQSZACIVSA-N 1 1 309.385 1.277 20 10 DDCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c1O ZINC000365654546 522536341 /nfs/dbraw/zinc/53/63/41/522536341.db2.gz RHPPZTMMHUFDHX-ZYHUDNBSSA-N 1 1 310.781 1.622 20 10 DDCDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC000180835352 524030777 /nfs/dbraw/zinc/03/07/77/524030777.db2.gz QTYPIIDTAIHIJA-VTBFOEKRSA-N 1 1 302.374 1.806 20 10 DDCDMO CO[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000298521531 536680463 /nfs/dbraw/zinc/68/04/63/536680463.db2.gz LLVZJUFNVVHJAP-WMLDXEAASA-N 1 1 319.449 1.868 20 10 DDCDMO CC[N@@H+](CCC(=O)OC)Cc1ccc(N2CCOCC2)cc1 ZINC000092380087 696593954 /nfs/dbraw/zinc/59/39/54/696593954.db2.gz HFDCDSQVMAFXAA-UHFFFAOYSA-N 1 1 306.406 1.908 20 10 DDCDMO NC(=O)NC(=O)CC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000109761266 696638192 /nfs/dbraw/zinc/63/81/92/696638192.db2.gz RDKNTOLCWWKEGE-UHFFFAOYSA-N 1 1 317.345 1.572 20 10 DDCDMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000748568183 700125997 /nfs/dbraw/zinc/12/59/97/700125997.db2.gz UOEABEGCVUBJDR-WMLDXEAASA-N 1 1 317.433 1.795 20 10 DDCDMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000748568182 700126033 /nfs/dbraw/zinc/12/60/33/700126033.db2.gz UOEABEGCVUBJDR-RHSMWYFYSA-N 1 1 317.433 1.795 20 10 DDCDMO CCN(C)c1ccc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000773754783 697800980 /nfs/dbraw/zinc/80/09/80/697800980.db2.gz NVVAIRWJHVBJOY-GOSISDBHSA-N 1 1 321.465 1.268 20 10 DDCDMO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775035170 697956859 /nfs/dbraw/zinc/95/68/59/697956859.db2.gz WAZMSTHQLHKSGJ-WDEREUQCSA-N 1 1 323.349 1.313 20 10 DDCDMO COc1c(O)c(C[NH2+]CC2(CO)CCCC2)ccc1[N+](=O)[O-] ZINC000775068314 697959641 /nfs/dbraw/zinc/95/96/41/697959641.db2.gz CLAYRTFHWZWDEZ-UHFFFAOYSA-N 1 1 310.350 1.951 20 10 DDCDMO C[C@@H]([NH2+]Cc1cn(C)nn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000783531950 698847898 /nfs/dbraw/zinc/84/78/98/698847898.db2.gz GNJGXZDWLHQXCY-GFCCVEGCSA-N 1 1 319.384 1.642 20 10 DDCDMO CCOCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000790759499 699595521 /nfs/dbraw/zinc/59/55/21/699595521.db2.gz HQNVBHMSGPHJPA-WCQYABFASA-N 1 1 301.358 1.596 20 10 DDCDMO CC[N@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1C ZINC000754079008 700481129 /nfs/dbraw/zinc/48/11/29/700481129.db2.gz FFORNPOVSCBOOD-JTQLQIEISA-N 1 1 320.349 1.456 20 10 DDCDMO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)c1 ZINC000756549479 700627240 /nfs/dbraw/zinc/62/72/40/700627240.db2.gz NRPIENMNNWFPPB-GJZGRUSLSA-N 1 1 319.449 1.939 20 10 DDCDMO COC(=O)Cn1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)nn1 ZINC000756768127 700640437 /nfs/dbraw/zinc/64/04/37/700640437.db2.gz KBOSDQMWMSTUOJ-SNVBAGLBSA-N 1 1 320.349 1.016 20 10 DDCDMO CC[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1O ZINC000761124560 700845446 /nfs/dbraw/zinc/84/54/46/700845446.db2.gz NFAHOLVLMGJRSM-WBVHZDCISA-N 1 1 319.449 1.414 20 10 DDCDMO COc1cccc(C[N@H+](CCN(C)C)C[C@@H]2CCCO2)c1O ZINC000809737060 701684212 /nfs/dbraw/zinc/68/42/12/701684212.db2.gz AXNSOWXFVAPYGF-HNNXBMFYSA-N 1 1 308.422 1.943 20 10 DDCDMO COc1cccc(C[N@@H+](CCN(C)C)C[C@@H]2CCCO2)c1O ZINC000809737060 701684214 /nfs/dbraw/zinc/68/42/14/701684214.db2.gz AXNSOWXFVAPYGF-HNNXBMFYSA-N 1 1 308.422 1.943 20 10 DDCDMO CCOc1ccc(C[N@H+](C)CCCN2CCN(C)CC2)c(O)c1 ZINC000809743234 701685020 /nfs/dbraw/zinc/68/50/20/701685020.db2.gz NTAQAHATSKJYSA-UHFFFAOYSA-N 1 1 321.465 1.860 20 10 DDCDMO CCOc1ccc(C[N@@H+](C)CCCN2CCN(C)CC2)c(O)c1 ZINC000809743234 701685021 /nfs/dbraw/zinc/68/50/21/701685021.db2.gz NTAQAHATSKJYSA-UHFFFAOYSA-N 1 1 321.465 1.860 20 10 DDCDMO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1)C1CC1 ZINC000809784117 701689215 /nfs/dbraw/zinc/68/92/15/701689215.db2.gz HGZFDFNJNGVRRW-ZDUSSCGKSA-N 1 1 324.446 1.686 20 10 DDCDMO O=C(/C=C\c1ccc(O)c(O)c1)NCc1c[nH+]c2n1CCCC2 ZINC000803702157 701136450 /nfs/dbraw/zinc/13/64/50/701136450.db2.gz CDAXDRAZNFAPSI-ALCCZGGFSA-N 1 1 313.357 1.960 20 10 DDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1 ZINC000839524192 701724361 /nfs/dbraw/zinc/72/43/61/701724361.db2.gz DAFCPMHIYVNMLM-MRXNPFEDSA-N 1 1 319.449 1.604 20 10 DDCDMO Cc1cc(N(C)C)ccc1CN1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000840940804 702287167 /nfs/dbraw/zinc/28/71/67/702287167.db2.gz GFZPWNMZUJABJR-HZPDHXFCSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCN(C[C@@H](C)O)C[C@H]1C ZINC000840940804 702287169 /nfs/dbraw/zinc/28/71/69/702287169.db2.gz GFZPWNMZUJABJR-HZPDHXFCSA-N 1 1 305.466 1.948 20 10 DDCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN(C[C@@H](C)O)C[C@H]1C ZINC000840940804 702287170 /nfs/dbraw/zinc/28/71/70/702287170.db2.gz GFZPWNMZUJABJR-HZPDHXFCSA-N 1 1 305.466 1.948 20 10 DDCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)C(C)(C)CN1CCOCC1 ZINC000840977732 702300497 /nfs/dbraw/zinc/30/04/97/702300497.db2.gz LRZVXQRMKLSQBL-UHFFFAOYSA-N 1 1 322.405 1.664 20 10 DDCDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841131388 702359630 /nfs/dbraw/zinc/35/96/30/702359630.db2.gz DMNOTPISJSGGGL-LBPRGKRZSA-N 1 1 306.410 1.444 20 10 DDCDMO Cc1cc(Br)c(O)c(C[NH2+]C2COCCOC2)c1 ZINC000813788962 702417977 /nfs/dbraw/zinc/41/79/77/702417977.db2.gz DRMRUEZUIJALIF-UHFFFAOYSA-N 1 1 316.195 1.968 20 10 DDCDMO [NH3+]CC(F)(F)CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841970987 702641066 /nfs/dbraw/zinc/64/10/66/702641066.db2.gz JIQYACIEAKTLFV-UHFFFAOYSA-N 1 1 313.348 1.664 20 10 DDCDMO CC(=O)c1cc(F)cc(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1O ZINC000842163785 702678676 /nfs/dbraw/zinc/67/86/76/702678676.db2.gz SJYYQMFPBQMNDZ-VXGBXAGGSA-N 1 1 324.396 1.621 20 10 DDCDMO CC(=O)c1cc(F)cc(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c1O ZINC000842163785 702678677 /nfs/dbraw/zinc/67/86/77/702678677.db2.gz SJYYQMFPBQMNDZ-VXGBXAGGSA-N 1 1 324.396 1.621 20 10 DDCDMO Cc1cc(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)[nH]n1 ZINC000843299483 702856176 /nfs/dbraw/zinc/85/61/76/702856176.db2.gz WJOMUBVSPBVCHU-HNNXBMFYSA-N 1 1 301.394 1.143 20 10 DDCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccn(C)c(=O)c2)cc1 ZINC000844399621 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CCN(C)C[C@H](O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000846777005 703329730 /nfs/dbraw/zinc/32/97/30/703329730.db2.gz CBSVDGHFLBSSIM-KRWDZBQOSA-N 1 1 321.465 1.520 20 10 DDCDMO CCN(CC)c1ccc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000848926316 703604345 /nfs/dbraw/zinc/60/43/45/703604345.db2.gz ORHDBXQYGATYMU-ZWKOTPCHSA-N 1 1 303.450 1.784 20 10 DDCDMO COc1cc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c(O)cc1C ZINC000853525002 704259801 /nfs/dbraw/zinc/25/98/01/704259801.db2.gz PONVAZNHMNVUBY-CYBMUJFWSA-N 1 1 302.378 1.823 20 10 DDCDMO COc1ccc(N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)cc1 ZINC000858129139 704668664 /nfs/dbraw/zinc/66/86/64/704668664.db2.gz JVXCICYGRDQHLP-UHFFFAOYSA-N 1 1 314.389 1.549 20 10 DDCDMO COCCCNC(=O)C[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835024859 707157049 /nfs/dbraw/zinc/15/70/49/707157049.db2.gz DKUGXVKKHHWOKR-FNORWQNLSA-N 1 1 319.449 1.850 20 10 DDCDMO COCCCNC(=O)C[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835024859 707157054 /nfs/dbraw/zinc/15/70/54/707157054.db2.gz 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