smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](CO)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001119815950 781627732 /nfs/dbraw/zinc/62/77/32/781627732.db2.gz FEABCSWCGGVHTP-ZDUSSCGKSA-N 0 3 324.421 1.605 20 10 DDCDHN CN(C)c1ccc([C@@H](O)C(=O)N2CC[C@H]3[C@@H]2CCN3C)cc1 ZINC001272779056 847415669 /nfs/dbraw/zinc/41/56/69/847415669.db2.gz FIKYWJMTUUNWBY-HRCADAONSA-N 0 3 303.406 1.091 20 10 DDCDHN CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(O)cc2[O-])O1 ZINC001204274870 871032857 /nfs/dbraw/zinc/03/28/57/871032857.db2.gz VAHFLVFYUBQZLY-BMFZPTHFSA-N 0 3 320.389 1.354 20 10 DDCDHN CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(O)cc2[O-])O1 ZINC001204274870 871032875 /nfs/dbraw/zinc/03/28/75/871032875.db2.gz VAHFLVFYUBQZLY-BMFZPTHFSA-N 0 3 320.389 1.354 20 10 DDCDHN CN(C)C(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]2O1 ZINC001277192409 882924652 /nfs/dbraw/zinc/92/46/52/882924652.db2.gz NWBWMLQXPNENNQ-INWMFGNUSA-N 0 3 320.389 1.165 20 10 DDCDHN CN(C)C(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]2O1 ZINC001277192409 882924664 /nfs/dbraw/zinc/92/46/64/882924664.db2.gz NWBWMLQXPNENNQ-INWMFGNUSA-N 0 3 320.389 1.165 20 10 DDCDHN C[C@H](NC(=O)CN)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217749215 877310060 /nfs/dbraw/zinc/31/00/60/877310060.db2.gz RCFQQOXADMIAGR-NSHDSACASA-N 0 3 311.345 1.663 20 10 DDCDHN COc1ccc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(N)=O)C2)c([O-])c1 ZINC001277453541 884429955 /nfs/dbraw/zinc/42/99/55/884429955.db2.gz AMHWGJFLYMSLQE-PBHICJAKSA-N 0 3 304.390 1.878 20 10 DDCDHN COc1ccc(C[N@H+]2CC[C@@]3(CCC[C@@H]3C(N)=O)C2)c([O-])c1 ZINC001277453541 884429961 /nfs/dbraw/zinc/42/99/61/884429961.db2.gz AMHWGJFLYMSLQE-PBHICJAKSA-N 0 3 304.390 1.878 20 10 DDCDHN Oc1cc(O)c(CN2CC[C@@H](Oc3ccncc3)C2)cc1O ZINC001233486624 887021684 /nfs/dbraw/zinc/02/16/84/887021684.db2.gz VHEMSVICUUCCHG-CYBMUJFWSA-N 0 3 302.330 1.852 20 10 DDCDHN CCC(=O)NC1CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237677064 889800413 /nfs/dbraw/zinc/80/04/13/889800413.db2.gz WNAFDGKWBVGDMQ-UHFFFAOYSA-N 0 3 322.405 1.900 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)[C@H]1CN[C@H](C(=O)OC)C1 ZINC001246926967 892991663 /nfs/dbraw/zinc/99/16/63/892991663.db2.gz VREXPGDBPRBIGQ-CVEARBPZSA-N 0 3 305.422 1.478 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC001249171204 893849787 /nfs/dbraw/zinc/84/97/87/893849787.db2.gz ALDZAQNCHVMBHN-SWLSCSKDSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC001249171204 893849801 /nfs/dbraw/zinc/84/98/01/893849801.db2.gz ALDZAQNCHVMBHN-SWLSCSKDSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c([O-])c1 ZINC001249208171 893866411 /nfs/dbraw/zinc/86/64/11/893866411.db2.gz OGYTXMQEBBQCRP-DZGCQCFKSA-N 0 3 304.390 1.244 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c([O-])c1 ZINC001249208171 893866432 /nfs/dbraw/zinc/86/64/32/893866432.db2.gz OGYTXMQEBBQCRP-DZGCQCFKSA-N 0 3 304.390 1.244 20 10 DDCDHN [O-]c1cc(O)ccc1C[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC001250827263 894445530 /nfs/dbraw/zinc/44/55/30/894445530.db2.gz PFSGBOKKZRFYLJ-AWEZNQCLSA-N 0 3 307.321 1.766 20 10 DDCDHN Cc1ccc(OC[C@H](O)CNCc2ccc(O)c(O)c2)cc1 ZINC001253842282 896136581 /nfs/dbraw/zinc/13/65/81/896136581.db2.gz HMUHMXMWBIQKKU-CQSZACIVSA-N 0 3 303.358 1.936 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3OCCC[C@H]3C1)[C@@H](O)CO2 ZINC001253981518 896199922 /nfs/dbraw/zinc/19/99/22/896199922.db2.gz QFANYUJGZDATKZ-UVBJJODRSA-N 0 3 305.374 1.819 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3OCCC[C@H]3C1)[C@@H](O)CO2 ZINC001253981518 896199926 /nfs/dbraw/zinc/19/99/26/896199926.db2.gz QFANYUJGZDATKZ-UVBJJODRSA-N 0 3 305.374 1.819 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CCCn2cc(CO)nn2)c([O-])c1C ZINC000289578545 131397879 /nfs/dbraw/zinc/39/78/79/131397879.db2.gz BIZUTZXJPGSLQM-CYBMUJFWSA-N 0 3 304.394 1.834 20 10 DDCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000271103603 407517500 /nfs/dbraw/zinc/51/75/00/407517500.db2.gz QMTAQGLVSPKJBJ-LBPRGKRZSA-N 0 3 309.362 1.937 20 10 DDCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000271103603 407517506 /nfs/dbraw/zinc/51/75/06/407517506.db2.gz QMTAQGLVSPKJBJ-LBPRGKRZSA-N 0 3 309.362 1.937 20 10 DDCDHN COC(=O)C[C@@H]1CCCN1Cc1cc(OC)c(OC)cc1O ZINC000271103603 407517510 /nfs/dbraw/zinc/51/75/10/407517510.db2.gz QMTAQGLVSPKJBJ-LBPRGKRZSA-N 0 3 309.362 1.937 20 10 DDCDHN CCCN(Cc1ccccc1O)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000271116874 407522087 /nfs/dbraw/zinc/52/20/87/407522087.db2.gz FXRITZVBGKRYKW-INIZCTEOSA-N 0 3 321.421 1.230 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)C(C)C)c1 ZINC000271739508 407729169 /nfs/dbraw/zinc/72/91/69/407729169.db2.gz UZZRTVRCWZXACI-LLVKDONJSA-N 0 3 301.408 1.875 20 10 DDCDHN CCN1CCN(CCCCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000262643102 407888990 /nfs/dbraw/zinc/88/89/90/407888990.db2.gz MAHHQQXEYMLUJH-UHFFFAOYSA-N 0 3 318.465 1.345 20 10 DDCDHN CCN1CCN(C[C@H](C)CNC(=O)Cc2ccc(N)cc2)CC1 ZINC000262659926 407893473 /nfs/dbraw/zinc/89/34/73/407893473.db2.gz XJFOUNNMBKDOTM-OAHLLOKOSA-N 0 3 318.465 1.201 20 10 DDCDHN C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccccc1[O-] ZINC000183616059 408454470 /nfs/dbraw/zinc/45/44/70/408454470.db2.gz FEZLNHJZCBYVNV-LBPRGKRZSA-N 0 3 324.446 1.999 20 10 DDCDHN COC[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000183456207 408416351 /nfs/dbraw/zinc/41/63/51/408416351.db2.gz MRJYZTKNPLNIGD-MRXNPFEDSA-N 0 3 305.422 1.383 20 10 DDCDHN CC[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000274905731 408565531 /nfs/dbraw/zinc/56/55/31/408565531.db2.gz MBEMOQRCLDCVLT-OCCSQVGLSA-N 0 3 312.435 1.857 20 10 DDCDHN O=C1CCCN1[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000276868958 408901754 /nfs/dbraw/zinc/90/17/54/408901754.db2.gz KXKDCCOTSFNTPT-GFCCVEGCSA-N 0 3 304.346 1.318 20 10 DDCDHN COC(=O)[C@]1(C)C[N@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1C ZINC000281881199 408946678 /nfs/dbraw/zinc/94/66/78/408946678.db2.gz LLFQZCRACPRKLA-QLJPJBMISA-N 0 3 307.346 1.752 20 10 DDCDHN COC(=O)[C@]1(C)C[N@@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1C ZINC000281881199 408946681 /nfs/dbraw/zinc/94/66/81/408946681.db2.gz LLFQZCRACPRKLA-QLJPJBMISA-N 0 3 307.346 1.752 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CC2(OCCO)CCOCC2)c([O-])c1 ZINC000281937324 408957450 /nfs/dbraw/zinc/95/74/50/408957450.db2.gz BHHNUUAKQPTDEJ-CQSZACIVSA-N 0 3 309.406 1.909 20 10 DDCDHN Cc1cc(CN2CCc3nn(C)c(=O)cc3C2)ccc1N(C)C ZINC000292885602 409045263 /nfs/dbraw/zinc/04/52/63/409045263.db2.gz UPNUSWCBRRUFHN-UHFFFAOYSA-N 0 3 312.417 1.713 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@@]2(CCO)CCOC2)c1[O-] ZINC000278703898 409086071 /nfs/dbraw/zinc/08/60/71/409086071.db2.gz OAKSLPKNFNCLHE-AWEZNQCLSA-N 0 3 301.770 1.685 20 10 DDCDHN Cc1cc(C[N@@H+]2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)ccc1N(C)C ZINC000293570956 409140052 /nfs/dbraw/zinc/14/00/52/409140052.db2.gz MXOJDMNIQQOMMI-CQSZACIVSA-N 0 3 315.421 1.852 20 10 DDCDHN Cc1cc(C[N@H+]2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)ccc1N(C)C ZINC000293570956 409140056 /nfs/dbraw/zinc/14/00/56/409140056.db2.gz MXOJDMNIQQOMMI-CQSZACIVSA-N 0 3 315.421 1.852 20 10 DDCDHN CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000279783483 409247919 /nfs/dbraw/zinc/24/79/19/409247919.db2.gz LQBXEKCYXMQYCM-LBPRGKRZSA-N 0 3 306.362 1.469 20 10 DDCDHN Cc1cc(CN2CCN(C[C@H](C)O)C[C@@H]2C)ccc1N(C)C ZINC000294447794 409290517 /nfs/dbraw/zinc/29/05/17/409290517.db2.gz FTHPKPLLCKZEKR-HOTGVXAUSA-N 0 3 305.466 1.948 20 10 DDCDHN CC[C@H](C)N(CCO)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298458115 410239998 /nfs/dbraw/zinc/23/99/98/410239998.db2.gz HYFZGHRQPPDHKZ-AWEZNQCLSA-N 0 3 307.438 1.462 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@H](CCO)C(C)(C)C)cc1 ZINC000298851632 410423539 /nfs/dbraw/zinc/42/35/39/410423539.db2.gz IPSLQMQMMWIFEX-MRXNPFEDSA-N 0 3 321.465 1.756 20 10 DDCDHN O=C1NC(=O)[C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CC[C@@H]12 ZINC000367780949 418634217 /nfs/dbraw/zinc/63/42/17/418634217.db2.gz RKVYSJZXQBZAKH-HIFRSBDPSA-N 0 3 310.353 1.640 20 10 DDCDHN O=C1NC(=O)[C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CC[C@@H]12 ZINC000367780949 418634218 /nfs/dbraw/zinc/63/42/18/418634218.db2.gz RKVYSJZXQBZAKH-HIFRSBDPSA-N 0 3 310.353 1.640 20 10 DDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000368037311 418676926 /nfs/dbraw/zinc/67/69/26/418676926.db2.gz IVIFSLNHPCCFPM-HXINVUTJSA-N 0 3 318.373 1.090 20 10 DDCDHN CCN1CCC[C@H]1CNC(=O)NCc1ccc2c(c1)CCN2C ZINC000376907799 418702534 /nfs/dbraw/zinc/70/25/34/418702534.db2.gz NHYKJPYSESAQIO-INIZCTEOSA-N 0 3 316.449 1.962 20 10 DDCDHN Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c([O-])c1O ZINC000378576768 418725466 /nfs/dbraw/zinc/72/54/66/418725466.db2.gz ZNCIZFZVKBETNY-NWANDNLSSA-N 0 3 316.401 1.963 20 10 DDCDHN Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c([O-])c1O ZINC000378576768 418725468 /nfs/dbraw/zinc/72/54/68/418725468.db2.gz ZNCIZFZVKBETNY-NWANDNLSSA-N 0 3 316.401 1.963 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000368796404 418726149 /nfs/dbraw/zinc/72/61/49/418726149.db2.gz JDEJDKRAHCSYNU-ZFWWWQNUSA-N 0 3 324.446 1.999 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000368796404 418726151 /nfs/dbraw/zinc/72/61/51/418726151.db2.gz JDEJDKRAHCSYNU-ZFWWWQNUSA-N 0 3 324.446 1.999 20 10 DDCDHN COc1cccc(C[NH+]2CCC(C(=O)NC3CC3)CC2)c1[O-] ZINC000371403492 418788885 /nfs/dbraw/zinc/78/88/85/418788885.db2.gz SDAVYQUAEFPSMJ-UHFFFAOYSA-N 0 3 304.390 1.891 20 10 DDCDHN COc1ccc(O)c([C@H](C)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000372598931 418886402 /nfs/dbraw/zinc/88/64/02/418886402.db2.gz FCQFIPYIPUQLJF-XCRHUMRWSA-N 0 3 320.433 1.993 20 10 DDCDHN CC[C@H]([NH2+]CCN1CCN(C(C)=O)CC1)c1ccccc1[O-] ZINC000273687023 288041351 /nfs/dbraw/zinc/04/13/51/288041351.db2.gz HSFHMNSHFJKBMD-INIZCTEOSA-N 0 3 305.422 1.597 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000377714061 281024507 /nfs/dbraw/zinc/02/45/07/281024507.db2.gz DPUNFDKBVCBRDC-CYBMUJFWSA-N 0 3 317.389 1.860 20 10 DDCDHN COc1cccc(CN2CCN(CC(C)(C)O)C[C@H]2C)c1O ZINC000188747097 525945436 /nfs/dbraw/zinc/94/54/36/525945436.db2.gz YLHVSCBUJMBIIC-CYBMUJFWSA-N 0 3 308.422 1.678 20 10 DDCDHN NC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000237931438 527128244 /nfs/dbraw/zinc/12/82/44/527128244.db2.gz CDGKVHAPJWHIQF-UHFFFAOYSA-N 0 3 317.433 1.801 20 10 DDCDHN Cn1cc(N2CC[C@@H]([NH2+]Cc3cc4c(cc3[O-])OCO4)C2)cn1 ZINC000370905278 527254890 /nfs/dbraw/zinc/25/48/90/527254890.db2.gz OMPVHAPNEOQRBL-GFCCVEGCSA-N 0 3 316.361 1.223 20 10 DDCDHN CN1CCCc2cc(CNC(=O)N3CCCN(C)CC3)ccc21 ZINC000299409356 536395970 /nfs/dbraw/zinc/39/59/70/536395970.db2.gz GJNQRMARKHFHFM-UHFFFAOYSA-N 0 3 316.449 1.916 20 10 DDCDHN C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cc(F)ccc1[O-] ZINC000094617142 696602577 /nfs/dbraw/zinc/60/25/77/696602577.db2.gz VZIYPDPAYNVSFP-SNVBAGLBSA-N 0 3 316.398 1.606 20 10 DDCDHN CCOc1cccc(CN2CCN(CC(C)(C)O)CC2)c1O ZINC000129973048 696793491 /nfs/dbraw/zinc/79/34/91/696793491.db2.gz ZFQAPGRRVGOTFT-UHFFFAOYSA-N 0 3 308.422 1.679 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCc2ccco2)c1 ZINC000182314558 697473306 /nfs/dbraw/zinc/47/33/06/697473306.db2.gz PARDBSVHUZXLAF-NSHDSACASA-N 0 3 304.346 1.961 20 10 DDCDHN CCNS(=O)(=O)CCN[C@H](C)c1ccc(N(C)CC)cc1 ZINC000772977812 697699892 /nfs/dbraw/zinc/69/98/92/697699892.db2.gz JXMHWZBYCKHYJZ-CYBMUJFWSA-N 0 3 313.467 1.733 20 10 DDCDHN CC[C@H]1C(=O)NCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775676289 698021512 /nfs/dbraw/zinc/02/15/12/698021512.db2.gz PECPPASUDUYXKH-KRWDZBQOSA-N 0 3 316.449 1.149 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C ZINC000776519661 698112691 /nfs/dbraw/zinc/11/26/91/698112691.db2.gz BTSFRAPRPDXTBN-MRXNPFEDSA-N 0 3 311.378 1.583 20 10 DDCDHN COc1cccc(O)c1CNC[C@@](C)(O)C(=O)OC(C)(C)C ZINC000776519661 698112693 /nfs/dbraw/zinc/11/26/93/698112693.db2.gz BTSFRAPRPDXTBN-MRXNPFEDSA-N 0 3 311.378 1.583 20 10 DDCDHN C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C(=O)N1c1cnn(C)c1 ZINC000779087587 698394753 /nfs/dbraw/zinc/39/47/53/698394753.db2.gz OSIRDTBLMRVQTC-IINYFYTJSA-N 0 3 318.352 1.548 20 10 DDCDHN O=S1(=O)CCCC[C@@H]1CNCc1cc2c(cc1O)OCO2 ZINC000784621054 699031352 /nfs/dbraw/zinc/03/13/52/699031352.db2.gz LWUXHLIWHFKPHS-LLVKDONJSA-N 0 3 313.375 1.178 20 10 DDCDHN CN1CC[C@](O)(C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000702627666 699230981 /nfs/dbraw/zinc/23/09/81/699230981.db2.gz FMOQACQTVYGXHG-ZDUSSCGKSA-N 0 3 315.211 1.311 20 10 DDCDHN O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000790458124 699461926 /nfs/dbraw/zinc/46/19/26/699461926.db2.gz ILFQBIPXHSODOD-DOMZBBRYSA-N 0 3 318.373 1.015 20 10 DDCDHN O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000790458124 699461928 /nfs/dbraw/zinc/46/19/28/699461928.db2.gz ILFQBIPXHSODOD-DOMZBBRYSA-N 0 3 318.373 1.015 20 10 DDCDHN O=C1CCCN1[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000790458124 699461929 /nfs/dbraw/zinc/46/19/29/699461929.db2.gz ILFQBIPXHSODOD-DOMZBBRYSA-N 0 3 318.373 1.015 20 10 DDCDHN O=C(NCc1ccccc1O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729606396 699483218 /nfs/dbraw/zinc/48/32/18/699483218.db2.gz RDJHMEGICBYPIC-UONOGXRCSA-N 0 3 305.378 1.055 20 10 DDCDHN O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(O)c1[O-] ZINC000790719647 699593660 /nfs/dbraw/zinc/59/36/60/699593660.db2.gz WTTPRMJCMAJQFJ-CYBMUJFWSA-N 0 3 320.389 1.471 20 10 DDCDHN COc1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)c(O)c1 ZINC000792983932 699726499 /nfs/dbraw/zinc/72/64/99/699726499.db2.gz FZCQSSKANRKDIM-GFCCVEGCSA-N 0 3 305.378 1.437 20 10 DDCDHN CCOc1ccc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c([O-])c1 ZINC000796492541 699935805 /nfs/dbraw/zinc/93/58/05/699935805.db2.gz UNCZFXNRIJFCRS-LLVKDONJSA-N 0 3 313.419 1.846 20 10 DDCDHN COc1cccc(CNCc2ccc3c(c2)C(=O)NCC3)c1O ZINC000757940791 700677284 /nfs/dbraw/zinc/67/72/84/700677284.db2.gz CGAMMEAXPPQBKN-UHFFFAOYSA-N 0 3 312.369 1.977 20 10 DDCDHN NC(=O)CC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768452868 701178423 /nfs/dbraw/zinc/17/84/23/701178423.db2.gz UQTCQSVYAUACKA-ABAIWWIYSA-N 0 3 320.389 1.296 20 10 DDCDHN NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768452868 701178425 /nfs/dbraw/zinc/17/84/25/701178425.db2.gz UQTCQSVYAUACKA-ABAIWWIYSA-N 0 3 320.389 1.296 20 10 DDCDHN NC(=O)CC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768452872 701178482 /nfs/dbraw/zinc/17/84/82/701178482.db2.gz UQTCQSVYAUACKA-IAQYHMDHSA-N 0 3 320.389 1.296 20 10 DDCDHN NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768452872 701178485 /nfs/dbraw/zinc/17/84/85/701178485.db2.gz UQTCQSVYAUACKA-IAQYHMDHSA-N 0 3 320.389 1.296 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@]2(CC(=O)OC)CCCOC2)c([O-])c1 ZINC000770672994 701289168 /nfs/dbraw/zinc/28/91/68/701289168.db2.gz DRFKYGFUHCLBIE-QGZVFWFLSA-N 0 3 323.389 1.993 20 10 DDCDHN CNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808716549 701532721 /nfs/dbraw/zinc/53/27/21/701532721.db2.gz YUCVDDRHYCHIKS-VIFPVBQESA-N 0 3 306.815 1.554 20 10 DDCDHN C[C@H](NCC(=O)NC[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000839563871 701737296 /nfs/dbraw/zinc/73/72/96/701737296.db2.gz PLKZCSOBQPBTSD-XJKSGUPXSA-N 0 3 305.422 1.698 20 10 DDCDHN CSC1(CNC(=O)c2cccc(O)c2[O-])CC[NH+](C)CC1 ZINC000812256730 702130144 /nfs/dbraw/zinc/13/01/44/702130144.db2.gz WKCHFIFJBKPOBW-UHFFFAOYSA-N 0 3 310.419 1.655 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c1[O-] ZINC000840962174 702294727 /nfs/dbraw/zinc/29/47/27/702294727.db2.gz GKHUVECSCPMWLN-GXFFZTMASA-N 0 3 315.797 1.931 20 10 DDCDHN COCCNCC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000841047475 702323410 /nfs/dbraw/zinc/32/34/10/702323410.db2.gz CCUDSWQCDCCLGF-UHFFFAOYSA-N 0 3 317.227 1.789 20 10 DDCDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(N)cc1 ZINC000841299586 702416410 /nfs/dbraw/zinc/41/64/10/702416410.db2.gz FHMFRAZNQBLLQR-OAHLLOKOSA-N 0 3 306.410 1.843 20 10 DDCDHN COc1cccc([C@@H](C)NCCS(=O)(=O)NC(C)C)c1O ZINC000846148729 703242734 /nfs/dbraw/zinc/24/27/34/703242734.db2.gz BJWQTGIHUKNSEK-LLVKDONJSA-N 0 3 316.423 1.379 20 10 DDCDHN CC[C@@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])C(=O)OC ZINC000879652727 706749918 /nfs/dbraw/zinc/74/99/18/706749918.db2.gz HJJDODSBJBXUSF-WQGACYEGSA-N 0 3 322.405 1.747 20 10 DDCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC000879651824 706750072 /nfs/dbraw/zinc/75/00/72/706750072.db2.gz LSMRHRVASDPFCT-NWDGAFQWSA-N 0 3 319.405 1.155 20 10 DDCDHN CC[C@@H](C)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[O-])C(=O)OC ZINC000879647659 706749234 /nfs/dbraw/zinc/74/92/34/706749234.db2.gz HJJDODSBJBXUSF-XHBSWPGZSA-N 0 3 322.405 1.747 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2C[C@H](O)C23CCC3)cc1 ZINC000852584398 704081929 /nfs/dbraw/zinc/08/19/29/704081929.db2.gz MOIHAXGYLPSQDQ-CVEARBPZSA-N 0 3 317.433 1.262 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC000852584400 704081933 /nfs/dbraw/zinc/08/19/33/704081933.db2.gz MOIHAXGYLPSQDQ-HZPDHXFCSA-N 0 3 317.433 1.262 20 10 DDCDHN CC[C@@H](C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)N(C)C ZINC000819584919 704145432 /nfs/dbraw/zinc/14/54/32/704145432.db2.gz UKPOHJVVGHZGHJ-PBHICJAKSA-N 0 3 319.449 1.978 20 10 DDCDHN Oc1cc2c(cc1CN1CC[C@@H]([C@@H](O)C(F)(F)F)C1)OCO2 ZINC000825123815 705604702 /nfs/dbraw/zinc/60/47/02/705604702.db2.gz CQHKJJDZKGNQDG-AMIZOPFISA-N 0 3 319.279 1.866 20 10 DDCDHN COc1ccc(N2CCN(C(=O)C(N)C(F)(F)F)CC2)cc1 ZINC000825721637 705721792 /nfs/dbraw/zinc/72/17/92/705721792.db2.gz RAPKJEZHRIHDAG-GFCCVEGCSA-N 0 3 317.311 1.233 20 10 DDCDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000862485175 705722099 /nfs/dbraw/zinc/72/20/99/705722099.db2.gz IKNUJQHSEYRKBC-CHWSQXEVSA-N 0 3 316.398 1.481 20 10 DDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CN(C)C ZINC000876875002 705901756 /nfs/dbraw/zinc/90/17/56/705901756.db2.gz PCQLQLAUNIZDGN-INIZCTEOSA-N 0 3 306.454 1.379 20 10 DDCDHN CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC000877074396 705977526 /nfs/dbraw/zinc/97/75/26/705977526.db2.gz ITOJDSVBELAWDU-QGZVFWFLSA-N 0 3 312.417 1.691 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000877158908 706001958 /nfs/dbraw/zinc/00/19/58/706001958.db2.gz OIZCMIXZRPAQCL-OCCSQVGLSA-N 0 3 312.435 1.508 20 10 DDCDHN N[C@H](CC(F)F)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000827567426 706027780 /nfs/dbraw/zinc/02/77/80/706027780.db2.gz KKJJGMUNAQXCPI-CYBMUJFWSA-N 0 3 313.348 1.122 20 10 DDCDHN C[C@H](NS(=O)(=O)CCCN(C)C)c1ccc(N(C)C)cc1 ZINC000867125922 706904214 /nfs/dbraw/zinc/90/42/14/706904214.db2.gz PRKKWFCAEDKJOB-ZDUSSCGKSA-N 0 3 313.467 1.685 20 10 DDCDHN Oc1cc2c(cc1CNCc1cnc3n1CCOC3)OCO2 ZINC000898270256 708593274 /nfs/dbraw/zinc/59/32/74/708593274.db2.gz IRBDGBURWZOYFU-UHFFFAOYSA-N 0 3 303.318 1.137 20 10 DDCDHN C[C@H](CO)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103398 708984438 /nfs/dbraw/zinc/98/44/38/708984438.db2.gz LMLUKHUOMTZESJ-CJNGLKHVSA-N 0 3 322.453 1.378 20 10 DDCDHN CC[C@@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184372 709319188 /nfs/dbraw/zinc/31/91/88/709319188.db2.gz BBBRLQLGQSHNNQ-GJZGRUSLSA-N 0 3 318.421 1.686 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@](C)(O)C2CC2)N(C)C)cc1 ZINC000891249257 710141338 /nfs/dbraw/zinc/14/13/38/710141338.db2.gz PWWCIKCGRQFTDA-WMZOPIPTSA-N 0 3 319.449 1.633 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccon2)N(C)C)cc1 ZINC000891253042 710143210 /nfs/dbraw/zinc/14/32/10/710143210.db2.gz PMSGJGSCAKXLKN-INIZCTEOSA-N 0 3 316.405 1.702 20 10 DDCDHN COC[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891470349 710210746 /nfs/dbraw/zinc/21/07/46/710210746.db2.gz MCKBNTHOPIFEIL-CZUORRHYSA-N 0 3 322.453 1.689 20 10 DDCDHN CO[C@@]1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCS(=O)(=O)C1 ZINC000903365084 711105550 /nfs/dbraw/zinc/10/55/50/711105550.db2.gz HRZROMWPARVTKC-QMTHXVAHSA-N 0 3 317.382 1.386 20 10 DDCDHN CC(=O)N1C[C@H]2CN(Cc3ccc(N(C)C)c(F)c3)C[C@H]2C1 ZINC000895576276 711547730 /nfs/dbraw/zinc/54/77/30/711547730.db2.gz MWEVLAKFFOGHGC-GASCZTMLSA-N 0 3 305.397 1.802 20 10 DDCDHN [NH3+][C@]1(CO)CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000904402558 711853303 /nfs/dbraw/zinc/85/33/03/711853303.db2.gz RWRVKENROZUMHK-CYBMUJFWSA-N 0 3 315.211 1.440 20 10 DDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929753692 713683031 /nfs/dbraw/zinc/68/30/31/713683031.db2.gz UTVDXPUSNCBJDC-RDJZCZTQSA-N 0 3 309.406 1.507 20 10 DDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929753692 713683034 /nfs/dbraw/zinc/68/30/34/713683034.db2.gz UTVDXPUSNCBJDC-RDJZCZTQSA-N 0 3 309.406 1.507 20 10 DDCDHN COC1(OC)CCN(Cc2ccc(N(C)C)c(C)c2)C[C@@H]1O ZINC000931636392 714144985 /nfs/dbraw/zinc/14/49/85/714144985.db2.gz WDOAXMYPSCYPDV-INIZCTEOSA-N 0 3 308.422 1.617 20 10 DDCDHN CN(C)C[C@@H]1NC(=O)N(Cc2ccc(N3CCCC3)cc2)C1=O ZINC000924489017 714593591 /nfs/dbraw/zinc/59/35/91/714593591.db2.gz WWSGMIHFOWYXNK-HNNXBMFYSA-N 0 3 316.405 1.269 20 10 DDCDHN Oc1cc(O)c(CN2CCN(Cc3cccnc3)CC2)c(O)c1 ZINC001144499822 772551252 /nfs/dbraw/zinc/55/12/52/772551252.db2.gz KDXVSEMFGXMDIQ-UHFFFAOYSA-N 0 3 315.373 1.516 20 10 DDCDHN COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C[C@@H]1C(=O)OC ZINC001173567104 777246476 /nfs/dbraw/zinc/24/64/76/777246476.db2.gz VSUSSYXYCSXRMH-XYYAHUGASA-N 0 3 307.346 1.223 20 10 DDCDHN CCc1ccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(C)C3)C2)c([O-])c1 ZINC001274654963 852488243 /nfs/dbraw/zinc/48/82/43/852488243.db2.gz IHPAUHKQQDIRQL-GOSISDBHSA-N 0 3 318.417 1.635 20 10 DDCDHN CCc1ccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(C)C3)C2)c([O-])c1 ZINC001274654963 852488246 /nfs/dbraw/zinc/48/82/46/852488246.db2.gz IHPAUHKQQDIRQL-GOSISDBHSA-N 0 3 318.417 1.635 20 10 DDCDHN CC[NH+](CC)CCN1CCN(Cc2cccc(F)c2[O-])CC1 ZINC001138122439 860010072 /nfs/dbraw/zinc/01/00/72/860010072.db2.gz FLBKJZLIWSYBHS-UHFFFAOYSA-N 0 3 309.429 1.991 20 10 DDCDHN COC(=O)C1CN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001139408756 860389640 /nfs/dbraw/zinc/38/96/40/860389640.db2.gz QDRKMAOVIWPONO-UHFFFAOYSA-N 0 3 303.406 1.043 20 10 DDCDHN CCN1CCN(c2ccc(CN(C)[C@@H](C)C(=O)OC)cc2)CC1 ZINC001140304271 860614729 /nfs/dbraw/zinc/61/47/29/860614729.db2.gz LMWBMHHVUBAFJU-HNNXBMFYSA-N 0 3 319.449 1.822 20 10 DDCDHN CN1CCOc2cc(CN3CCC(NC(N)=O)CC3)ccc21 ZINC001141140879 860793934 /nfs/dbraw/zinc/79/39/34/860793934.db2.gz QJOIGCDHHCCNTM-UHFFFAOYSA-N 0 3 304.394 1.148 20 10 DDCDHN Cc1cnc(O[C@@H]2CCN(Cc3cc(O)ccc3O)C2)nc1 ZINC001141163120 860799043 /nfs/dbraw/zinc/79/90/43/860799043.db2.gz PVBZYLLCEVBSFC-CQSZACIVSA-N 0 3 301.346 1.850 20 10 DDCDHN COc1cnc(O[C@@H]2CCN(Cc3cc(O)ccc3O)C2)nc1 ZINC001141163122 860799428 /nfs/dbraw/zinc/79/94/28/860799428.db2.gz PYJUDYAMCJZRQO-CYBMUJFWSA-N 0 3 317.345 1.550 20 10 DDCDHN CCOC(=O)[C@H]1CNCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC001326198404 861183648 /nfs/dbraw/zinc/18/36/48/861183648.db2.gz CSHLJRYUHZFUPK-FUTAKVPZSA-N 0 3 317.433 1.603 20 10 DDCDHN NC(=O)N=Nc1ccc(C(=O)NCCNC/C=C/Cl)cc1 ZINC001153037166 863669553 /nfs/dbraw/zinc/66/95/53/863669553.db2.gz FBRNLFWELJRPPG-PXLKVYSSSA-N 0 3 309.757 1.921 20 10 DDCDHN CN1CCN(c2ccc(CNc3nccnc3CN)cc2)CC1 ZINC001337253802 869403197 /nfs/dbraw/zinc/40/31/97/869403197.db2.gz QSZKEDDFTRWTSW-UHFFFAOYSA-N 0 3 312.421 1.299 20 10 DDCDHN COc1ccc(O)c(CN2CCC[C@@H](NC(=O)CN(C)C)C2)c1 ZINC001203681206 870710859 /nfs/dbraw/zinc/71/08/59/870710859.db2.gz QAGXWDIYVORILI-CQSZACIVSA-N 0 3 321.421 1.043 20 10 DDCDHN C[C@@H]1[NH2+]C[C@@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001218386456 877470396 /nfs/dbraw/zinc/47/03/96/877470396.db2.gz NBANOKOKULOWLN-XPTSAGLGSA-N 0 3 309.321 1.907 20 10 DDCDHN C[C@@H]1NC[C@@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001218387539 877470917 /nfs/dbraw/zinc/47/09/17/877470917.db2.gz QDLPVAYOOMSQRG-XPTSAGLGSA-N 0 3 309.321 1.907 20 10 DDCDHN CCOC(=O)NC1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231638764 885776372 /nfs/dbraw/zinc/77/63/72/885776372.db2.gz BIIFSHFOHSFDOL-UHFFFAOYSA-N 0 3 324.377 1.817 20 10 DDCDHN COC(=O)N1CCCN(Cc2ccc(N(C)C)cc2O)CC1 ZINC001232836225 886624082 /nfs/dbraw/zinc/62/40/82/886624082.db2.gz LTAUYTKNFBCAER-UHFFFAOYSA-N 0 3 307.394 1.732 20 10 DDCDHN CCO[C@@H]1CN(Cc2cc(O)c(O)cc2O)[C@@H]2CCCO[C@H]12 ZINC001233484014 887015192 /nfs/dbraw/zinc/01/51/92/887015192.db2.gz VDJGXWIYOKEYSM-LYRGGWFBSA-N 0 3 309.362 1.572 20 10 DDCDHN Cc1nnc([C@@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)o1 ZINC001233486745 887022273 /nfs/dbraw/zinc/02/22/73/887022273.db2.gz ZVPONQFTZKTIGX-SNVBAGLBSA-N 0 3 305.334 1.874 20 10 DDCDHN Oc1cc(O)c(CN2CCCN(c3cccnc3)CC2)cc1O ZINC001233486873 887023498 /nfs/dbraw/zinc/02/34/98/887023498.db2.gz GVFRGSQIDVVUKT-UHFFFAOYSA-N 0 3 315.373 1.911 20 10 DDCDHN CCOC(=O)[C@@H]1CCN(Cc2cc(OC)cc(OC)c2O)C1 ZINC001237679746 889799862 /nfs/dbraw/zinc/79/98/62/889799862.db2.gz ZBZZDTJDUUYBAQ-LLVKDONJSA-N 0 3 309.362 1.794 20 10 DDCDHN Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001251736218 894791955 /nfs/dbraw/zinc/79/19/55/894791955.db2.gz MFROJQYYKNJMOX-HNNXBMFYSA-N 0 3 303.358 1.936 20 10 DDCDHN CCN(CC)CC(=O)N1CCN(Cc2cc(C)ccc2O)CC1 ZINC000093046102 193197195 /nfs/dbraw/zinc/19/71/95/193197195.db2.gz IDROAIMHXPOUAF-UHFFFAOYSA-N 0 3 319.449 1.687 20 10 DDCDHN CCN1C(=O)C(=CNc2ccncc2)C(=O)N(CC)C1=S ZINC000060865531 184157670 /nfs/dbraw/zinc/15/76/70/184157670.db2.gz FJWCXNATXFDOIW-UHFFFAOYSA-N 0 3 304.375 1.373 20 10 DDCDHN C[N@H+](CCCO)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000275115989 130291166 /nfs/dbraw/zinc/29/11/66/130291166.db2.gz LNTNRRFESWFPAM-UHFFFAOYSA-N 0 3 308.378 1.017 20 10 DDCDHN C[N@@H+](CCCO)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000275115989 130291167 /nfs/dbraw/zinc/29/11/67/130291167.db2.gz LNTNRRFESWFPAM-UHFFFAOYSA-N 0 3 308.378 1.017 20 10 DDCDHN COc1cc(O)c(CN2CCN(C[C@@H](C)O)C[C@@H]2C)cc1OC ZINC000284462615 131082743 /nfs/dbraw/zinc/08/27/43/131082743.db2.gz VEGSUHJCIMNFJM-QWHCGFSZSA-N 0 3 324.421 1.296 20 10 DDCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000369553285 131268129 /nfs/dbraw/zinc/26/81/29/131268129.db2.gz USECLPSYSVQAAC-KBPBESRZSA-N 0 3 302.353 1.889 20 10 DDCDHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC000186054288 407567857 /nfs/dbraw/zinc/56/78/57/407567857.db2.gz ZQXRIGNLRQRZMZ-IUODEOHRSA-N 0 3 314.389 1.890 20 10 DDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC000076117283 406955611 /nfs/dbraw/zinc/95/56/11/406955611.db2.gz ISUIPPGXAOVTHY-OAHLLOKOSA-N 0 3 317.433 1.828 20 10 DDCDHN CCN(C)CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000101991089 407318387 /nfs/dbraw/zinc/31/83/87/407318387.db2.gz CQFBTPGOQZLVIJ-UHFFFAOYSA-N 0 3 320.437 1.274 20 10 DDCDHN COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])CC2 ZINC000186103526 407577761 /nfs/dbraw/zinc/57/77/61/407577761.db2.gz YVDMFZBBAABFCS-CMPLNLGQSA-N 0 3 320.368 1.935 20 10 DDCDHN CCC[C@](C)(N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000272506561 407953967 /nfs/dbraw/zinc/95/39/67/407953967.db2.gz WPWUGIAFOHLPPR-KRWDZBQOSA-N 0 3 305.422 1.657 20 10 DDCDHN Cc1cc(O)c(CN2CC[C@@H](S(=O)(=O)NC3CC3)C2)cc1C ZINC000155021738 408118191 /nfs/dbraw/zinc/11/81/91/408118191.db2.gz BHZMUENWIQDPFR-OAHLLOKOSA-N 0 3 324.446 1.665 20 10 DDCDHN CNS(=O)(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000138263583 408165489 /nfs/dbraw/zinc/16/54/89/408165489.db2.gz FCAXPHSTEQMXTE-ZDUSSCGKSA-N 0 3 320.414 1.669 20 10 DDCDHN CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000138263583 408165494 /nfs/dbraw/zinc/16/54/94/408165494.db2.gz FCAXPHSTEQMXTE-ZDUSSCGKSA-N 0 3 320.414 1.669 20 10 DDCDHN COC(=O)CN1CCC[N@H+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000121384516 408199098 /nfs/dbraw/zinc/19/90/98/408199098.db2.gz IZEFGJCWERVNRU-UHFFFAOYSA-N 0 3 306.406 1.690 20 10 DDCDHN COC(=O)CN1CCC[N@@H+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000121384516 408199103 /nfs/dbraw/zinc/19/91/03/408199103.db2.gz IZEFGJCWERVNRU-UHFFFAOYSA-N 0 3 306.406 1.690 20 10 DDCDHN CC(C)[C@@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000269244137 408234312 /nfs/dbraw/zinc/23/43/12/408234312.db2.gz SDGAWPMBTHVCGO-MRXNPFEDSA-N 0 3 305.422 1.465 20 10 DDCDHN CNCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000281557831 408890236 /nfs/dbraw/zinc/89/02/36/408890236.db2.gz ZUZUHKPEKTYHJP-RYUDHWBXSA-N 0 3 309.385 1.275 20 10 DDCDHN COc1cc([O-])c(C[NH2+]CC2([S@@](C)=O)CCC2)cc1OC ZINC000281856433 408942746 /nfs/dbraw/zinc/94/27/46/408942746.db2.gz SRCALEODCSUOHB-OAQYLSRUSA-N 0 3 313.419 1.800 20 10 DDCDHN C[C@H](NC1CC1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000294892217 409305130 /nfs/dbraw/zinc/30/51/30/409305130.db2.gz YLIXYZLTPGZCOZ-AWEZNQCLSA-N 0 3 317.433 1.622 20 10 DDCDHN CC(C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)S(C)(=O)=O ZINC000374846574 418569188 /nfs/dbraw/zinc/56/91/88/418569188.db2.gz OZUNFTKEKHFYNV-LBPRGKRZSA-N 0 3 322.430 1.411 20 10 DDCDHN COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc3c(cc1[O-])OCO3)C2 ZINC000374667566 418553647 /nfs/dbraw/zinc/55/36/47/418553647.db2.gz XVBIDLIYQJUKKA-SJCJKPOMSA-N 0 3 319.357 1.896 20 10 DDCDHN COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cc3c(cc1[O-])OCO3)C2 ZINC000374667566 418553649 /nfs/dbraw/zinc/55/36/49/418553649.db2.gz XVBIDLIYQJUKKA-SJCJKPOMSA-N 0 3 319.357 1.896 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369128443 418728903 /nfs/dbraw/zinc/72/89/03/418728903.db2.gz UNRCIWPGVOQHQK-FPMFFAJLSA-N 0 3 302.374 1.654 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369128443 418728905 /nfs/dbraw/zinc/72/89/05/418728905.db2.gz UNRCIWPGVOQHQK-FPMFFAJLSA-N 0 3 302.374 1.654 20 10 DDCDHN O=C1CC[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@H](C2CC2)N1 ZINC000370286786 418742736 /nfs/dbraw/zinc/74/27/36/418742736.db2.gz YSCRBZADIOGTAQ-ZBEGNZNMSA-N 0 3 304.346 1.268 20 10 DDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000371093544 418761617 /nfs/dbraw/zinc/76/16/17/418761617.db2.gz LDNHKNLFYAZSRT-DYVFJYSZSA-N 0 3 317.389 1.511 20 10 DDCDHN [O-]c1ccccc1C[NH2+]C[C@@]1(N2CCOCC2)CCCOC1 ZINC000372006717 534457110 /nfs/dbraw/zinc/45/71/10/534457110.db2.gz NMFDJHDKWJFZLP-KRWDZBQOSA-N 0 3 306.406 1.363 20 10 DDCDHN COC[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000181582275 522346540 /nfs/dbraw/zinc/34/65/40/522346540.db2.gz TZSNKBHHUDTDNN-QGZVFWFLSA-N 0 3 319.449 1.726 20 10 DDCDHN CC(=O)N1CCN(CC[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000284230244 534791810 /nfs/dbraw/zinc/79/18/10/534791810.db2.gz UPKYPWQLJOQRNX-OAHLLOKOSA-N 0 3 319.449 1.824 20 10 DDCDHN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCCNCC1 ZINC000238034056 527612201 /nfs/dbraw/zinc/61/22/01/527612201.db2.gz PBCBBKCEOONHQC-QPJJXVBHSA-N 0 3 315.417 1.358 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)c([O-])c1 ZINC000036828135 696131123 /nfs/dbraw/zinc/13/11/23/696131123.db2.gz YJNVBFRLJVHIDW-LBPRGKRZSA-N 0 3 312.435 1.775 20 10 DDCDHN CCNS(=O)(=O)CCNCc1cc(Cl)cc(OC)c1O ZINC000230934360 697785424 /nfs/dbraw/zinc/78/54/24/697785424.db2.gz XPLWCVHAUOFZMP-UHFFFAOYSA-N 0 3 322.814 1.083 20 10 DDCDHN CCNS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000230934360 697785431 /nfs/dbraw/zinc/78/54/31/697785431.db2.gz XPLWCVHAUOFZMP-UHFFFAOYSA-N 0 3 322.814 1.083 20 10 DDCDHN CC[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccccc1[O-] ZINC000775416358 697994832 /nfs/dbraw/zinc/99/48/32/697994832.db2.gz UZARWLHZYYVXRA-ZDUSSCGKSA-N 0 3 313.419 1.373 20 10 DDCDHN COC1CCN(CCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779529244 698430975 /nfs/dbraw/zinc/43/09/75/698430975.db2.gz NIZOBYRICBEDDW-HWKANZROSA-N 0 3 320.389 1.338 20 10 DDCDHN C[C@@H](O)C[C@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000305207190 698641187 /nfs/dbraw/zinc/64/11/87/698641187.db2.gz DASGRZMGTFMCPW-RHSMWYFYSA-N 0 3 319.449 1.604 20 10 DDCDHN COCCN1CCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000732457901 699560315 /nfs/dbraw/zinc/56/03/15/699560315.db2.gz BSOQLLVPFQEJKD-CQSZACIVSA-N 0 3 307.394 1.302 20 10 DDCDHN C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790827637 699599439 /nfs/dbraw/zinc/59/94/39/699599439.db2.gz VQHHWVFEJOCNSO-ZDUSSCGKSA-N 0 3 304.390 1.902 20 10 DDCDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790827637 699599442 /nfs/dbraw/zinc/59/94/42/699599442.db2.gz VQHHWVFEJOCNSO-ZDUSSCGKSA-N 0 3 304.390 1.902 20 10 DDCDHN C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756458388 700622600 /nfs/dbraw/zinc/62/26/00/700622600.db2.gz MKHBLNXAXIRGGV-ZYHUDNBSSA-N 0 3 300.349 1.778 20 10 DDCDHN C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756458388 700622601 /nfs/dbraw/zinc/62/26/01/700622601.db2.gz MKHBLNXAXIRGGV-ZYHUDNBSSA-N 0 3 300.349 1.778 20 10 DDCDHN COc1cccc(CN2CCN(C[C@@H]3CCCO3)CC2)c1O ZINC000768192906 701163121 /nfs/dbraw/zinc/16/31/21/701163121.db2.gz VTJRXGMSDJXJGO-HNNXBMFYSA-N 0 3 306.406 1.697 20 10 DDCDHN C[N@H+](CCc1cnccn1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000770664510 701288719 /nfs/dbraw/zinc/28/87/19/701288719.db2.gz XOOCDSIGWUFSKL-OAHLLOKOSA-N 0 3 301.346 1.283 20 10 DDCDHN C[N@@H+](CCc1cnccn1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000770664510 701288721 /nfs/dbraw/zinc/28/87/21/701288721.db2.gz XOOCDSIGWUFSKL-OAHLLOKOSA-N 0 3 301.346 1.283 20 10 DDCDHN CC[C@@H]1[C@H](CO)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839610568 701753781 /nfs/dbraw/zinc/75/37/81/701753781.db2.gz OGCUYROHWGGXMK-DOTOQJQBSA-N 0 3 319.449 1.462 20 10 DDCDHN C[C@@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1O ZINC000868217715 702005237 /nfs/dbraw/zinc/00/52/37/702005237.db2.gz VDMMSFDLRKPYBZ-MGPQQGTHSA-N 0 3 319.405 1.616 20 10 DDCDHN NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816569431 702115073 /nfs/dbraw/zinc/11/50/73/702115073.db2.gz LGKJRXRQBSFPMO-CQSZACIVSA-N 0 3 320.414 1.798 20 10 DDCDHN NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816569431 702115075 /nfs/dbraw/zinc/11/50/75/702115075.db2.gz LGKJRXRQBSFPMO-CQSZACIVSA-N 0 3 320.414 1.798 20 10 DDCDHN C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccccc1[O-] ZINC000840781640 702236981 /nfs/dbraw/zinc/23/69/81/702236981.db2.gz QTSCDGIYKVKORB-HNNXBMFYSA-N 0 3 320.433 1.924 20 10 DDCDHN COC[C@]1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCCN1 ZINC000817975448 702541179 /nfs/dbraw/zinc/54/11/79/702541179.db2.gz UWGUWWZVBKJHJU-IAQYHMDHSA-N 0 3 309.366 1.720 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CNCCO1 ZINC000842011466 702655364 /nfs/dbraw/zinc/65/53/64/702655364.db2.gz PAXQRERJQLEMGA-MRXNPFEDSA-N 0 3 320.437 1.273 20 10 DDCDHN COc1c([O-])c(CN2CC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000843120320 702823205 /nfs/dbraw/zinc/82/32/05/702823205.db2.gz FHZLSGJRXXPLFF-OAHLLOKOSA-N 0 3 307.350 1.494 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)c([O-])c1 ZINC000866520553 706720288 /nfs/dbraw/zinc/72/02/88/706720288.db2.gz GVBGJZUFSQAJNZ-BLLLJJGKSA-N 0 3 306.362 1.572 20 10 DDCDHN [NH2+]=C(NCc1cc(Br)ccc1[O-])N1CCOCC1 ZINC000849027863 703612560 /nfs/dbraw/zinc/61/25/60/703612560.db2.gz MEDKQQGVBDAABH-UHFFFAOYSA-N 0 3 314.183 1.511 20 10 DDCDHN COc1ccc(N2CCN(C[C@@H]3CNC(=O)C3)CC2)cc1F ZINC000851807320 703861230 /nfs/dbraw/zinc/86/12/30/703861230.db2.gz FSEFJXFDTKDVLD-LBPRGKRZSA-N 0 3 307.369 1.092 20 10 DDCDHN COc1cc(O)c(CN2CCC[C@@H](n3ccnn3)C2)cc1OC ZINC000819897502 704183312 /nfs/dbraw/zinc/18/33/12/704183312.db2.gz QJBWEBSFBIUCAQ-CYBMUJFWSA-N 0 3 318.377 1.838 20 10 DDCDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(N)cc1 ZINC000831880372 706797293 /nfs/dbraw/zinc/79/72/93/706797293.db2.gz CKWVSHVWCMDOLY-INIZCTEOSA-N 0 3 305.422 1.381 20 10 DDCDHN O=C1CCC2=C(CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)N1 ZINC000853519643 704257662 /nfs/dbraw/zinc/25/76/62/704257662.db2.gz GZSKUFZDIYBJEZ-OAHLLOKOSA-N 0 3 316.357 1.188 20 10 DDCDHN O=C1CCC2=C(CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)N1 ZINC000853519643 704257664 /nfs/dbraw/zinc/25/76/64/704257664.db2.gz GZSKUFZDIYBJEZ-OAHLLOKOSA-N 0 3 316.357 1.188 20 10 DDCDHN O=C1CCC2=C(CCN(Cc3cc4c(cc3O)OC[C@H]4O)C2)N1 ZINC000853519643 704257665 /nfs/dbraw/zinc/25/76/65/704257665.db2.gz GZSKUFZDIYBJEZ-OAHLLOKOSA-N 0 3 316.357 1.188 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)Cc3nc[nH]c3C)C2)cc1 ZINC000855223403 704473919 /nfs/dbraw/zinc/47/39/19/704473919.db2.gz GPDSBOIXXOOFAH-ZDUSSCGKSA-N 0 3 314.389 1.664 20 10 DDCDHN CCCCN(CCS(=O)(=O)NC)Cc1ccccc1O ZINC000856741746 704536527 /nfs/dbraw/zinc/53/65/27/704536527.db2.gz RXAAVUBOPQKOQE-UHFFFAOYSA-N 0 3 300.424 1.544 20 10 DDCDHN CCn1cnnc1CCNCc1cc(F)c(N(C)C)cc1F ZINC000858140530 704669827 /nfs/dbraw/zinc/66/98/27/704669827.db2.gz HRQGHULPZRCOHG-UHFFFAOYSA-N 0 3 309.364 1.975 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@H](O)[C@@H]2CCCO2)cc1F ZINC000858227643 704681896 /nfs/dbraw/zinc/68/18/96/704681896.db2.gz WLMQRHVYCNWJFB-GJZGRUSLSA-N 0 3 300.349 1.660 20 10 DDCDHN C[C@H]1C[N@H+](CCO)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000825336988 705648877 /nfs/dbraw/zinc/64/88/77/705648877.db2.gz BVSTXLQKIXOUJP-JTQLQIEISA-N 0 3 302.777 1.683 20 10 DDCDHN C[C@H]1C[N@@H+](CCO)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000825336988 705648878 /nfs/dbraw/zinc/64/88/78/705648878.db2.gz BVSTXLQKIXOUJP-JTQLQIEISA-N 0 3 302.777 1.683 20 10 DDCDHN COC[C@@]1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCCCN1 ZINC000876878709 705903878 /nfs/dbraw/zinc/90/38/78/705903878.db2.gz JMKMGIHMIQLQQP-YVEFUNNKSA-N 0 3 322.405 1.737 20 10 DDCDHN CCOc1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1O ZINC000826994356 705908316 /nfs/dbraw/zinc/90/83/16/705908316.db2.gz DWTPERFWIYPYGB-CYBMUJFWSA-N 0 3 306.362 1.817 20 10 DDCDHN CCOc1ccc(N2CCN(Cc3ccccc3O)CC2)nn1 ZINC000827793150 706068597 /nfs/dbraw/zinc/06/85/97/706068597.db2.gz LLKWFMGAEILFEC-UHFFFAOYSA-N 0 3 314.389 1.903 20 10 DDCDHN CNS(=O)(=O)CCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000877688464 706179579 /nfs/dbraw/zinc/17/95/79/706179579.db2.gz BQQFNQDARIZGEL-UHFFFAOYSA-N 0 3 322.814 1.083 20 10 DDCDHN C[C@@H]1CC[C@H](CO)N1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000880440917 706977406 /nfs/dbraw/zinc/97/74/06/706977406.db2.gz MLRJPXGGIMGUNR-RHSMWYFYSA-N 0 3 319.449 1.556 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)[C@@H](N)CC2CC2)cc1 ZINC000884386369 708274356 /nfs/dbraw/zinc/27/43/56/708274356.db2.gz MWLRQBFTBAFOPG-INIZCTEOSA-N 0 3 305.422 1.717 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]([C@H]3CCCO3)C1)[C@@H](O)CO2 ZINC000884481583 708312836 /nfs/dbraw/zinc/31/28/36/708312836.db2.gz NBRJFWJWAHFCCG-KNXALSJPSA-N 0 3 305.374 1.819 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]([C@H]3CCCO3)C1)[C@@H](O)CO2 ZINC000884481583 708312838 /nfs/dbraw/zinc/31/28/38/708312838.db2.gz NBRJFWJWAHFCCG-KNXALSJPSA-N 0 3 305.374 1.819 20 10 DDCDHN CCOC(=O)N1C[C@H](CO)[C@H](NCc2ccc(OC)c(C)c2)C1 ZINC000898359143 708621657 /nfs/dbraw/zinc/62/16/57/708621657.db2.gz LXKDBGJDPDKRSI-HUUCEWRRSA-N 0 3 322.405 1.542 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ncccn2)N(C)C)cc1 ZINC000891242269 710138908 /nfs/dbraw/zinc/13/89/08/710138908.db2.gz DLCMSMBEKJHRQP-OAHLLOKOSA-N 0 3 313.405 1.575 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)O)N(C)C)cc1 ZINC000891246364 710140448 /nfs/dbraw/zinc/14/04/48/710140448.db2.gz BNDVVAYZDLBLRL-OAHLLOKOSA-N 0 3 307.438 1.633 20 10 DDCDHN C/C=C\[C@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246843 710140554 /nfs/dbraw/zinc/14/05/54/710140554.db2.gz QGIWKPPDSOOROX-UWUBPMADSA-N 0 3 305.422 1.409 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCO2)N(C)C)cc1 ZINC000891249682 710141938 /nfs/dbraw/zinc/14/19/38/710141938.db2.gz VTRULTNODUYQSM-HOTGVXAUSA-N 0 3 305.422 1.651 20 10 DDCDHN CCO[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256492 710143840 /nfs/dbraw/zinc/14/38/40/710143840.db2.gz YTTJGZVYULJYIJ-YESZJQIVSA-N 0 3 319.449 1.897 20 10 DDCDHN COc1ccc(CN2CCC(N(C)C(C)=O)CC2)c(O)c1OC ZINC000891817709 710301579 /nfs/dbraw/zinc/30/15/79/710301579.db2.gz DMCVQNRRWNRWEY-UHFFFAOYSA-N 0 3 322.405 1.852 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@]2(CO)COCCN2C)c2c1c(F)ccc2[O-] ZINC000903280859 711086397 /nfs/dbraw/zinc/08/63/97/711086397.db2.gz NZCSRVHEQKJEDW-NDGTYSDOSA-N 0 3 324.396 1.362 20 10 DDCDHN CO[C@@]1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCS(=O)(=O)C1 ZINC000903365332 711105485 /nfs/dbraw/zinc/10/54/85/711105485.db2.gz MBZNETWKVATEQB-IUODEOHRSA-N 0 3 313.419 1.555 20 10 DDCDHN C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)n1 ZINC000903449402 711131216 /nfs/dbraw/zinc/13/12/16/711131216.db2.gz YITZYPFVQJFSGF-DYVFJYSZSA-N 0 3 316.453 1.835 20 10 DDCDHN COc1ccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)c(O)c1OC ZINC000894811723 711281400 /nfs/dbraw/zinc/28/14/00/711281400.db2.gz YRWYZQZSMOEORK-STQMWFEESA-N 0 3 320.389 1.652 20 10 DDCDHN COc1cc(C)cc(CN2CCNC(=O)CC23CCC3)c1O ZINC000895926753 711647852 /nfs/dbraw/zinc/64/78/52/711647852.db2.gz DZMAGYNUGUIKPN-UHFFFAOYSA-N 0 3 304.390 1.954 20 10 DDCDHN O=C(NCc1c(O)cccc1F)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000916841231 713468918 /nfs/dbraw/zinc/46/89/18/713468918.db2.gz CHIZWJMKSRJYEA-NWDGAFQWSA-N 0 3 323.368 1.194 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000916841231 713468919 /nfs/dbraw/zinc/46/89/19/713468919.db2.gz CHIZWJMKSRJYEA-NWDGAFQWSA-N 0 3 323.368 1.194 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000916841231 713468920 /nfs/dbraw/zinc/46/89/20/713468920.db2.gz CHIZWJMKSRJYEA-NWDGAFQWSA-N 0 3 323.368 1.194 20 10 DDCDHN C[NH+](C)CC[C@H](NC(=O)c1cccc(O)c1[O-])c1cccnc1 ZINC000928835054 713488835 /nfs/dbraw/zinc/48/88/35/713488835.db2.gz VOEFGLBOLLTBAO-AWEZNQCLSA-N 0 3 315.373 1.916 20 10 DDCDHN C[C@@H]1COC[C@@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000932502305 714348492 /nfs/dbraw/zinc/34/84/92/714348492.db2.gz VERRNGNVUXWXRW-CJNGLKHVSA-N 0 3 305.422 1.336 20 10 DDCDHN COc1cc(C)c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC001182152113 743499918 /nfs/dbraw/zinc/49/99/18/743499918.db2.gz JAZXJPBGAGKIIG-GFCCVEGCSA-N 0 3 313.419 1.624 20 10 DDCDHN COc1cc(C(=O)N2C[C@H]3[C@H](C2)CCCN3C)cc(O)c1O ZINC001193096898 745988358 /nfs/dbraw/zinc/98/83/58/745988358.db2.gz CVBLYBNSHGEZLC-JQWIXIFHSA-N 0 3 306.362 1.273 20 10 DDCDHN CCN1CC[C@@H](N2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC001172043786 776605792 /nfs/dbraw/zinc/60/57/92/776605792.db2.gz QVUAYJCMDSAUHC-MRXNPFEDSA-N 0 3 317.433 1.828 20 10 DDCDHN Oc1ccc(CN2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)cc1O ZINC001275821225 853817768 /nfs/dbraw/zinc/81/77/68/853817768.db2.gz KQSBMOGUUYEWII-LSDHHAIUSA-N 0 3 314.389 1.527 20 10 DDCDHN COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C)cc1[O-] ZINC001276169842 854874782 /nfs/dbraw/zinc/87/47/82/854874782.db2.gz XREMDFXGLYIBPR-IRXDYDNUSA-N 0 3 320.433 1.970 20 10 DDCDHN COCCOCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(C)cc1[O-] ZINC001276169842 854874785 /nfs/dbraw/zinc/87/47/85/854874785.db2.gz XREMDFXGLYIBPR-IRXDYDNUSA-N 0 3 320.433 1.970 20 10 DDCDHN CCN1CCN(c2ccc(CN3CC4(CCO4)C3)cc2)CC1 ZINC001140304449 860614667 /nfs/dbraw/zinc/61/46/67/860614667.db2.gz QDAZKHBCHLWMKU-UHFFFAOYSA-N 0 3 301.434 1.803 20 10 DDCDHN CCN1CCN(c2ccc(CN3CC[C@@H](O)[C@@H](F)C3)cc2)CC1 ZINC001140302328 860614991 /nfs/dbraw/zinc/61/49/91/860614991.db2.gz NXRXJLYCFIPJCL-ZWKOTPCHSA-N 0 3 321.440 1.733 20 10 DDCDHN C[C@H]1C[C@@H](CO)N(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140659965 860669498 /nfs/dbraw/zinc/66/94/98/860669498.db2.gz ARRZMOBZPTYCAN-BBRMVZONSA-N 0 3 308.397 1.865 20 10 DDCDHN COc1cc([O-])c(C[NH+]2CCC3(CNC(=O)C3)CC2)c(OC)c1 ZINC001141031704 860769080 /nfs/dbraw/zinc/76/90/80/860769080.db2.gz IRCBKARHZZZZRC-UHFFFAOYSA-N 0 3 320.389 1.512 20 10 DDCDHN Cc1nc(NCCc2cc(O)c(O)cc2O)cc(N(C)C)n1 ZINC001157240207 863675219 /nfs/dbraw/zinc/67/52/19/863675219.db2.gz VCTNUSJCRVWEAP-UHFFFAOYSA-N 0 3 304.350 1.622 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@]2(F)CCOC2)N(C)C)cc1 ZINC001333624583 866882058 /nfs/dbraw/zinc/88/20/58/866882058.db2.gz GPRXUDPTZLQSFS-RDJZCZTQSA-N 0 3 323.412 1.600 20 10 DDCDHN CCNC(=O)CO[C@H]1CCC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203629014 870681206 /nfs/dbraw/zinc/68/12/06/870681206.db2.gz NYTANGUMVCNHGA-HNNXBMFYSA-N 0 3 322.405 1.518 20 10 DDCDHN CCNC(=O)CO[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203629014 870681217 /nfs/dbraw/zinc/68/12/17/870681217.db2.gz NYTANGUMVCNHGA-HNNXBMFYSA-N 0 3 322.405 1.518 20 10 DDCDHN CCNC(=O)CO[C@H]1CCCN(Cc2ccc(OC)cc2O)C1 ZINC001203629014 870681228 /nfs/dbraw/zinc/68/12/28/870681228.db2.gz NYTANGUMVCNHGA-HNNXBMFYSA-N 0 3 322.405 1.518 20 10 DDCDHN C=C=CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001346859066 873916934 /nfs/dbraw/zinc/91/69/34/873916934.db2.gz GTDXAXZAPHDPLH-INIZCTEOSA-N 0 3 302.422 1.996 20 10 DDCDHN CO[C@@]1(CNCc2cc(F)c(N(C)C)cc2F)CCOC1 ZINC001348100018 874360096 /nfs/dbraw/zinc/36/00/96/874360096.db2.gz OMJSXDCUFCRIKI-OAHLLOKOSA-N 0 3 300.349 1.926 20 10 DDCDHN O=C(N1CC=CC1)[C@@]12C[C@@H]1CCN2Cc1ccc(O)cc1O ZINC001277196329 882952828 /nfs/dbraw/zinc/95/28/28/882952828.db2.gz GFQQSVUZIHYUDF-SUMWQHHRSA-N 0 3 300.358 1.461 20 10 DDCDHN CCOC(=O)[C@@H]1CNCCN1Cc1cc(Cl)cc(C)c1O ZINC001222079674 880226070 /nfs/dbraw/zinc/22/60/70/880226070.db2.gz DXAJGVJVYLYFQJ-ZDUSSCGKSA-N 0 3 312.797 1.691 20 10 DDCDHN O=C(NCc1c[nH]cn1)[C@@]12C[C@@H]1CCN2Cc1ccccc1O ZINC001277441234 884291909 /nfs/dbraw/zinc/29/19/09/884291909.db2.gz JYFYPTNZHQWKNH-SUMWQHHRSA-N 0 3 312.373 1.396 20 10 DDCDHN COc1cc([O-])c(CN2CCO[C@H](C[NH+](C)C)C2)cc1Cl ZINC001232266441 886199684 /nfs/dbraw/zinc/19/96/84/886199684.db2.gz OKJJJPMRHLOHOM-GFCCVEGCSA-N 0 3 314.813 1.817 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](O)[C@@H](CO)C3)c2c1 ZINC001234526519 888056049 /nfs/dbraw/zinc/05/60/49/888056049.db2.gz WTHISAZQGHVROO-PXAZEXFGSA-N 0 3 303.358 1.339 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](O)[C@@H](CO)C3)c2c1 ZINC001234526519 888056064 /nfs/dbraw/zinc/05/60/64/888056064.db2.gz WTHISAZQGHVROO-PXAZEXFGSA-N 0 3 303.358 1.339 20 10 DDCDHN CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3c(C)cccc3[O-])C[C@H]21 ZINC001237485342 889662528 /nfs/dbraw/zinc/66/25/28/889662528.db2.gz HDGXBMQBTYAFSP-UKPHBRMFSA-N 0 3 318.417 1.674 20 10 DDCDHN CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3c(C)cccc3[O-])C[C@H]21 ZINC001237485342 889662532 /nfs/dbraw/zinc/66/25/32/889662532.db2.gz HDGXBMQBTYAFSP-UKPHBRMFSA-N 0 3 318.417 1.674 20 10 DDCDHN COc1cc(CN2CCO[C@H](CN(C)C)C2)c(O)c(OC)c1 ZINC001237669877 889794644 /nfs/dbraw/zinc/79/46/44/889794644.db2.gz PMATYTCXMJAJJI-CQSZACIVSA-N 0 3 310.394 1.172 20 10 DDCDHN COC(=O)[C@H]1[C@@H]2CN(Cc3cc(OC)cc(OC)c3O)C[C@@H]21 ZINC001237677623 889798928 /nfs/dbraw/zinc/79/89/28/889798928.db2.gz FWCYHIOMLNVGPK-IMRBUKKESA-N 0 3 307.346 1.260 20 10 DDCDHN COc1cccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1[O-] ZINC000077458062 353470895 /nfs/dbraw/zinc/47/08/95/353470895.db2.gz HXOZHEVJDBZJFI-CHWSQXEVSA-N 0 3 313.419 1.846 20 10 DDCDHN C[C@H](NC[C@]1(O)CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090850258 353799244 /nfs/dbraw/zinc/79/92/44/353799244.db2.gz VOBNQXIVYFAEQN-SUMWQHHRSA-N 0 3 324.396 1.464 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c([O-])c1C ZINC000273384666 130114315 /nfs/dbraw/zinc/11/43/15/130114315.db2.gz CQBRZZJFZPVJAW-GFCCVEGCSA-N 0 3 302.378 1.813 20 10 DDCDHN CC(C)OC[C@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000274123747 130208870 /nfs/dbraw/zinc/20/88/70/130208870.db2.gz ZOMAYPRBXLFGQR-GOSISDBHSA-N 0 3 322.449 1.741 20 10 DDCDHN Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccccc2[O-])CCC(=O)N1C ZINC000284614807 131097600 /nfs/dbraw/zinc/09/76/00/131097600.db2.gz RZUNLEVRCFHMTH-CXAGYDPISA-N 0 3 314.389 1.577 20 10 DDCDHN CC[C@H](CO)N1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000292760998 131674688 /nfs/dbraw/zinc/67/46/88/131674688.db2.gz IVZXGTKLIGSNDN-QGZVFWFLSA-N 0 3 305.466 1.950 20 10 DDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c1 ZINC000186168443 407592927 /nfs/dbraw/zinc/59/29/27/407592927.db2.gz GCQRXHSCRQZIFG-CHWSQXEVSA-N 0 3 312.435 1.775 20 10 DDCDHN CCC[C@@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269254050 408235656 /nfs/dbraw/zinc/23/56/56/408235656.db2.gz RGKCKZNCEMDCKJ-QGZVFWFLSA-N 0 3 319.449 1.639 20 10 DDCDHN COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])CC2 ZINC000183617209 408457071 /nfs/dbraw/zinc/45/70/71/408457071.db2.gz PVBMMSYEFSDDLW-NWDGAFQWSA-N 0 3 302.378 1.796 20 10 DDCDHN CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000183420412 408407726 /nfs/dbraw/zinc/40/77/26/408407726.db2.gz WRNNDRWOKLKOQQ-GFCCVEGCSA-N 0 3 300.424 1.714 20 10 DDCDHN CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000277007908 408903012 /nfs/dbraw/zinc/90/30/12/408903012.db2.gz BMAWAPCBJYVYJD-SNVBAGLBSA-N 0 3 319.402 1.014 20 10 DDCDHN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)CN1CCCCC1 ZINC000298489580 410252588 /nfs/dbraw/zinc/25/25/88/410252588.db2.gz GBNQRNPHHWTBPM-DYLGSBMWSA-N 0 3 320.389 1.074 20 10 DDCDHN CC(C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)S(C)(=O)=O ZINC000298631099 410320238 /nfs/dbraw/zinc/32/02/38/410320238.db2.gz VWBZTJPZEPLNEH-GFCCVEGCSA-N 0 3 324.446 1.677 20 10 DDCDHN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000361064817 418575630 /nfs/dbraw/zinc/57/56/30/418575630.db2.gz CLPZYZCMFUIPFS-HUUCEWRRSA-N 0 3 308.397 1.952 20 10 DDCDHN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000361064817 418575632 /nfs/dbraw/zinc/57/56/32/418575632.db2.gz CLPZYZCMFUIPFS-HUUCEWRRSA-N 0 3 308.397 1.952 20 10 DDCDHN COc1ccc([O-])c(C[NH+]2CCC(Cn3cncn3)CC2)c1 ZINC000189972651 222063978 /nfs/dbraw/zinc/06/39/78/222063978.db2.gz JOOAYCAEIYBGDX-UHFFFAOYSA-N 0 3 302.378 1.905 20 10 DDCDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCc1ccc(N)cc1 ZINC000372572118 418884898 /nfs/dbraw/zinc/88/48/98/418884898.db2.gz OFKSTOHAEQJICZ-DAYGRLMNSA-N 0 3 317.433 1.460 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)c1 ZINC000273595867 295168441 /nfs/dbraw/zinc/16/84/41/295168441.db2.gz QMQCBQWYDVPPNF-SWLSCSKDSA-N 0 3 321.421 1.391 20 10 DDCDHN CCN(CC)CC(=O)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180066739 520573325 /nfs/dbraw/zinc/57/33/25/520573325.db2.gz PGCVZEGCYHDFOF-UHFFFAOYSA-N 0 3 323.412 1.517 20 10 DDCDHN CCC[C@@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000236970212 520720486 /nfs/dbraw/zinc/72/04/86/520720486.db2.gz MJGLERILGWFTQP-OAHLLOKOSA-N 0 3 323.412 1.530 20 10 DDCDHN CC(C)OCCOC[C@@H](O)CN(C)Cc1ccc(N(C)C)cc1 ZINC000274083771 535338626 /nfs/dbraw/zinc/33/86/26/535338626.db2.gz RPXPFRVCTPYRMB-SFHVURJKSA-N 0 3 324.465 1.987 20 10 DDCDHN O=C1CCCN1[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000111170701 696642415 /nfs/dbraw/zinc/64/24/15/696642415.db2.gz VLZBGPKTOROXFI-CYBMUJFWSA-N 0 3 318.373 1.708 20 10 DDCDHN CC[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)N(C)C ZINC000155376848 696946796 /nfs/dbraw/zinc/94/67/96/696946796.db2.gz RURNWTHXMVKJIY-OAHLLOKOSA-N 0 3 323.412 1.619 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CNC(C)(C)COC)cc2=O ZINC000772743394 697671073 /nfs/dbraw/zinc/67/10/73/697671073.db2.gz VSNMFKDNBGFVBP-UHFFFAOYSA-N 0 3 322.365 1.126 20 10 DDCDHN CN1CC[C@@](O)(C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000702627664 699231227 /nfs/dbraw/zinc/23/12/27/699231227.db2.gz FMOQACQTVYGXHG-CYBMUJFWSA-N 0 3 315.211 1.311 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](C)C[C@@H]1C)cc2=O ZINC000740883330 699804567 /nfs/dbraw/zinc/80/45/67/699804567.db2.gz NNCOVVBJJDCSBK-MNOVXSKESA-N 0 3 318.377 1.842 20 10 DDCDHN COC[C@@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000752088610 700342761 /nfs/dbraw/zinc/34/27/61/700342761.db2.gz MLQQIEAYWPULII-KRWDZBQOSA-N 0 3 319.449 1.822 20 10 DDCDHN C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756458387 700622441 /nfs/dbraw/zinc/62/24/41/700622441.db2.gz MKHBLNXAXIRGGV-PWSUYJOCSA-N 0 3 300.349 1.778 20 10 DDCDHN C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756458387 700622444 /nfs/dbraw/zinc/62/24/44/700622444.db2.gz MKHBLNXAXIRGGV-PWSUYJOCSA-N 0 3 300.349 1.778 20 10 DDCDHN C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1[O-] ZINC000756547781 700627248 /nfs/dbraw/zinc/62/72/48/700627248.db2.gz HKPLXWXFRVPZRS-OLZOCXBDSA-N 0 3 323.412 1.769 20 10 DDCDHN C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756605182 700631196 /nfs/dbraw/zinc/63/11/96/700631196.db2.gz RDCJHGQPYYLWNU-SNVBAGLBSA-N 0 3 300.349 1.778 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c([O-])c1 ZINC000769492483 701247321 /nfs/dbraw/zinc/24/73/21/701247321.db2.gz KXUSDHQADKMAOZ-OAHLLOKOSA-N 0 3 320.433 1.945 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c([O-])c1 ZINC000769492483 701247322 /nfs/dbraw/zinc/24/73/22/701247322.db2.gz KXUSDHQADKMAOZ-OAHLLOKOSA-N 0 3 320.433 1.945 20 10 DDCDHN CCOC(=O)[C@H]1NCC[C@H]1NCc1ccc2c(c1)CCCN2C ZINC000817900939 702513849 /nfs/dbraw/zinc/51/38/49/702513849.db2.gz RSDLFDMZDYMEDG-WBVHZDCISA-N 0 3 317.433 1.452 20 10 DDCDHN C[C@@H](NC(=O)NC[C@@H]1CNCCO1)c1ccc(N(C)C)cc1 ZINC000841880704 702604886 /nfs/dbraw/zinc/60/48/86/702604886.db2.gz GMTKWMFCUPQVPZ-DOMZBBRYSA-N 0 3 306.410 1.101 20 10 DDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COC1(C)CNC1 ZINC000843486133 702891317 /nfs/dbraw/zinc/89/13/17/702891317.db2.gz QGWHXEKOBIYDJK-UHFFFAOYSA-N 0 3 319.449 1.868 20 10 DDCDHN CCc1cccc(CN2CCC[C@H](S(=O)(=O)NC)C2)c1O ZINC000848886649 703598378 /nfs/dbraw/zinc/59/83/78/703598378.db2.gz GYZNVVSOPZQTOT-AWEZNQCLSA-N 0 3 312.435 1.468 20 10 DDCDHN CCOc1ccc(C[NH2+]C[C@]2(OCCO)CCOC2)c([O-])c1 ZINC000850358662 703726965 /nfs/dbraw/zinc/72/69/65/703726965.db2.gz TYJNWMBMUNRJBT-MRXNPFEDSA-N 0 3 311.378 1.049 20 10 DDCDHN O=C1OCCN1[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000853542242 704264244 /nfs/dbraw/zinc/26/42/44/704264244.db2.gz YMQVXVNCGVPSSZ-NSHDSACASA-N 0 3 306.318 1.147 20 10 DDCDHN CC[C@@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)N(C)C ZINC000855234199 704474446 /nfs/dbraw/zinc/47/44/46/704474446.db2.gz VDQBAUZJIDVLRA-CJNGLKHVSA-N 0 3 305.422 1.730 20 10 DDCDHN CN(C)c1cc(F)c(CNCC2(O)CCOCC2)cc1F ZINC000858125453 704668374 /nfs/dbraw/zinc/66/83/74/704668374.db2.gz HKTRSVRAMLUGNB-UHFFFAOYSA-N 0 3 300.349 1.662 20 10 DDCDHN COc1cc(C)cc(CN2CCN(C(C)(C)CO)CC2)c1O ZINC000894032545 710937056 /nfs/dbraw/zinc/93/70/56/710937056.db2.gz LXBHLVBQSSWUPE-UHFFFAOYSA-N 0 3 308.422 1.598 20 10 DDCDHN CN(C)c1ccc(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1F ZINC000827131875 705936031 /nfs/dbraw/zinc/93/60/31/705936031.db2.gz FHAZXFFJPJXQLF-UKRRQHHQSA-N 0 3 305.397 1.992 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c([O-])c1 ZINC000876960866 705939615 /nfs/dbraw/zinc/93/96/15/705939615.db2.gz ASCVLBZEBYHLPC-QGZVFWFLSA-N 0 3 322.474 1.998 20 10 DDCDHN COCCC(=O)N1CCC([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877088322 705979797 /nfs/dbraw/zinc/97/97/97/705979797.db2.gz CFRMHAKGIXLFDR-UHFFFAOYSA-N 0 3 306.406 1.818 20 10 DDCDHN CCN1CCC[C@@H](NCc2ccc(OC)c(OC)c2O)C1=O ZINC000896728570 708133284 /nfs/dbraw/zinc/13/32/84/708133284.db2.gz CAZWSLHKOYKNEH-GFCCVEGCSA-N 0 3 308.378 1.510 20 10 DDCDHN COCC[C@@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000884194535 708182043 /nfs/dbraw/zinc/18/20/43/708182043.db2.gz LUUMJZFQTMHWGO-OAHLLOKOSA-N 0 3 323.462 1.220 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC=CC2)N(C)C)cc1 ZINC000899098472 708982274 /nfs/dbraw/zinc/98/22/74/708982274.db2.gz OYNXDECTJPRCSQ-INIZCTEOSA-N 0 3 302.422 1.937 20 10 DDCDHN C[C@@H](O)CN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899104942 708984593 /nfs/dbraw/zinc/98/45/93/708984593.db2.gz SWWDSYDHZQXXOR-CZUORRHYSA-N 0 3 322.453 1.378 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2CSC2)N(C)C)cc1 ZINC000891245444 710139776 /nfs/dbraw/zinc/13/97/76/710139776.db2.gz FDIRRFSGQONPKB-OAHLLOKOSA-N 0 3 307.463 1.835 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cn2ccnc2)N(C)C)cc1 ZINC000891247312 710140646 /nfs/dbraw/zinc/14/06/46/710140646.db2.gz IAEDDLGNIBGECN-MRXNPFEDSA-N 0 3 315.421 1.368 20 10 DDCDHN CCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)COC1 ZINC000891252700 710142475 /nfs/dbraw/zinc/14/24/75/710142475.db2.gz MSNZYKHUHIQIFV-INIZCTEOSA-N 0 3 319.449 1.898 20 10 DDCDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000902420380 710748385 /nfs/dbraw/zinc/74/83/85/710748385.db2.gz LXAXUAPDGDSSAV-YGRLFVJLSA-N 0 3 307.346 1.203 20 10 DDCDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000902420380 710748388 /nfs/dbraw/zinc/74/83/88/710748388.db2.gz LXAXUAPDGDSSAV-YGRLFVJLSA-N 0 3 307.346 1.203 20 10 DDCDHN COc1ccc(CN2CC[C@H](N3CCCC3=O)C2)c(O)c1OC ZINC000893982815 710910633 /nfs/dbraw/zinc/91/06/33/710910633.db2.gz DQQMLNYEWHPXJH-ZDUSSCGKSA-N 0 3 320.389 1.606 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)OC2COC2)N(C)C)cc1 ZINC000903044628 711013746 /nfs/dbraw/zinc/01/37/46/711013746.db2.gz CAOFMDYSUSYOQI-HNNXBMFYSA-N 0 3 307.394 1.480 20 10 DDCDHN C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cn(C)nn1 ZINC000903449215 711131168 /nfs/dbraw/zinc/13/11/68/711131168.db2.gz WYKPXGMIAREWGH-GUYCJALGSA-N 0 3 316.453 1.835 20 10 DDCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2COCO2)c1[O-] ZINC000894872361 711303703 /nfs/dbraw/zinc/30/37/03/711303703.db2.gz IKBHJYSDIAFECB-SNVBAGLBSA-N 0 3 318.167 1.626 20 10 DDCDHN COc1ccc(CNC2CN(c3ccncn3)C2)c(O)c1OC ZINC000895781776 711604966 /nfs/dbraw/zinc/60/49/66/711604966.db2.gz HAODPUOMXKNTBS-UHFFFAOYSA-N 0 3 316.361 1.178 20 10 DDCDHN CO[C@@H]1CCOC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000934035945 714727943 /nfs/dbraw/zinc/72/79/43/714727943.db2.gz FVJLTQMVCUXBNU-IAGOWNOFSA-N 0 3 306.406 1.417 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC001203551750 751197450 /nfs/dbraw/zinc/19/74/50/751197450.db2.gz MLYVJPNRHPUULU-RDJZCZTQSA-N 0 3 304.390 1.604 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC001203551750 751197455 /nfs/dbraw/zinc/19/74/55/751197455.db2.gz MLYVJPNRHPUULU-RDJZCZTQSA-N 0 3 304.390 1.604 20 10 DDCDHN NCc1ccc2c(n1)N(c1cc3c(cn1)C(=O)NCC3)CCC2 ZINC001169591960 762525915 /nfs/dbraw/zinc/52/59/15/762525915.db2.gz QNEGIYBLSYEJJM-UHFFFAOYSA-N 0 3 309.373 1.306 20 10 DDCDHN COCCOCN1C[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC001275913149 853935525 /nfs/dbraw/zinc/93/55/25/853935525.db2.gz JFVMABLTQDHCBH-XJKSGUPXSA-N 0 3 324.396 1.658 20 10 DDCDHN COCCOCN1C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC001275913149 853935529 /nfs/dbraw/zinc/93/55/29/853935529.db2.gz JFVMABLTQDHCBH-XJKSGUPXSA-N 0 3 324.396 1.658 20 10 DDCDHN COc1cc(CN2CCCC(=O)[C@H](F)C2)cc(CN(C)C)c1O ZINC001139255612 860338633 /nfs/dbraw/zinc/33/86/33/860338633.db2.gz QBTQVCBBSDJNMC-CQSZACIVSA-N 0 3 324.396 1.965 20 10 DDCDHN Cc1cc(CN2CCc3[nH]c(=O)[nH]c(=O)c3C2)ccc1N(C)C ZINC001139673763 860449591 /nfs/dbraw/zinc/44/95/91/860449591.db2.gz YNPWZRAWFIJITN-UHFFFAOYSA-N 0 3 314.389 1.821 20 10 DDCDHN CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)ccc2[O-])O1 ZINC001140055343 860566574 /nfs/dbraw/zinc/56/65/74/860566574.db2.gz DQRJAFHFFWZTIA-BMFZPTHFSA-N 0 3 322.380 1.788 20 10 DDCDHN CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)ccc2[O-])O1 ZINC001140055343 860566576 /nfs/dbraw/zinc/56/65/76/860566576.db2.gz DQRJAFHFFWZTIA-BMFZPTHFSA-N 0 3 322.380 1.788 20 10 DDCDHN Fc1cc(N2CCOCC2)ccc1CN1CC(N2CCCC2)C1 ZINC001140661798 860669426 /nfs/dbraw/zinc/66/94/26/860669426.db2.gz SYILXTRAYAVOKS-UHFFFAOYSA-N 0 3 319.424 1.942 20 10 DDCDHN CN1CCOc2cc(CN3CC[C@](C)(CO)[C@@H](O)C3)ccc21 ZINC001141141524 860793641 /nfs/dbraw/zinc/79/36/41/860793641.db2.gz ZRANNCMCEFLNDK-DLBZAZTESA-N 0 3 306.406 1.080 20 10 DDCDHN CN(C)C[C@@H]1CN(Cc2ccc3c(c2)OCCN3C)CCO1 ZINC001141139787 860793705 /nfs/dbraw/zinc/79/37/05/860793705.db2.gz BKESBONJIOXNBI-OAHLLOKOSA-N 0 3 305.422 1.278 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC(F)(F)[C@@H](N)C3)cc2)CC1 ZINC001206668832 865172788 /nfs/dbraw/zinc/17/27/88/865172788.db2.gz VTIJWKJYMQBWAU-INIZCTEOSA-N 0 3 324.419 1.607 20 10 DDCDHN CCNC(=O)CO[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203937751 870843546 /nfs/dbraw/zinc/84/35/46/870843546.db2.gz PRYNPDMSHQPCRX-KRWDZBQOSA-N 0 3 319.449 1.870 20 10 DDCDHN CCNC(=O)CO[C@@H]1CCCN(Cc2ccc(O)cc2O)C1 ZINC001204279610 871038910 /nfs/dbraw/zinc/03/89/10/871038910.db2.gz CLBCYEOKLPFQHY-CQSZACIVSA-N 0 3 308.378 1.215 20 10 DDCDHN N[C@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@H]1F ZINC001204837114 871254581 /nfs/dbraw/zinc/25/45/81/871254581.db2.gz RMTQTDNZBSDSCI-CABCVRRESA-N 0 3 313.804 1.658 20 10 DDCDHN COc1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c([O-])c1 ZINC000179916926 876425581 /nfs/dbraw/zinc/42/55/81/876425581.db2.gz NTGVFCWFEZHMFJ-UHFFFAOYSA-N 0 3 304.390 1.891 20 10 DDCDHN C[C@@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000400211758 876498173 /nfs/dbraw/zinc/49/81/73/876498173.db2.gz JVBKDVNVGBRVGV-OCCSQVGLSA-N 0 3 311.451 1.437 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CC[C@]2(O)CCOC2)c1[O-] ZINC000404176814 876998568 /nfs/dbraw/zinc/99/85/68/876998568.db2.gz HYCSZCVRRWNSSK-AWEZNQCLSA-N 0 3 301.770 1.685 20 10 DDCDHN CC1CCN(c2ccc(CNC(=O)[C@@H](N)C(C)(C)O)cc2)CC1 ZINC001353549922 877409903 /nfs/dbraw/zinc/40/99/03/877409903.db2.gz YDPWNKMFHGFEHD-MRXNPFEDSA-N 0 3 319.449 1.637 20 10 DDCDHN COc1cc(C)cc(CN[C@@H](C)C(=O)NCC(F)(F)F)c1O ZINC001353585556 877433244 /nfs/dbraw/zinc/43/32/44/877433244.db2.gz YHKQOGNQUBZEBY-VIFPVBQESA-N 0 3 320.311 1.866 20 10 DDCDHN OC[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232203041 886156959 /nfs/dbraw/zinc/15/69/59/886156959.db2.gz MKFDSLKGNSPEPD-CQSZACIVSA-N 0 3 310.825 1.991 20 10 DDCDHN CN(C)C(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]2O1 ZINC001278254767 890282726 /nfs/dbraw/zinc/28/27/26/890282726.db2.gz HFKWUXFMQQVEGB-INWMFGNUSA-N 0 3 322.380 1.599 20 10 DDCDHN CN(C)C(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]2O1 ZINC001278254767 890282742 /nfs/dbraw/zinc/28/27/42/890282742.db2.gz HFKWUXFMQQVEGB-INWMFGNUSA-N 0 3 322.380 1.599 20 10 DDCDHN CCOc1ccc(O)c(CN2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000092189132 353846579 /nfs/dbraw/zinc/84/65/79/353846579.db2.gz PQXNDVVCCSYUJL-AWEZNQCLSA-N 0 3 319.405 1.781 20 10 DDCDHN CCOc1cccc(CN2CC[C@H](NC(=O)NC3CC3)C2)c1O ZINC000273783622 130166309 /nfs/dbraw/zinc/16/63/09/130166309.db2.gz UASMBXSJERPNFB-AWEZNQCLSA-N 0 3 319.405 1.827 20 10 DDCDHN Oc1cc2c(cc1CN1CCN(C[C@H]3CCOC3)CC1)OCO2 ZINC000093817964 407202590 /nfs/dbraw/zinc/20/25/90/407202590.db2.gz VNOIUQFVTCJRPF-CYBMUJFWSA-N 0 3 320.389 1.275 20 10 DDCDHN CN(C)c1ccc(CNC(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000170791633 407510045 /nfs/dbraw/zinc/51/00/45/407510045.db2.gz ZLQJKJNFYRWLST-INIZCTEOSA-N 0 3 304.438 1.988 20 10 DDCDHN O=S(=O)([C@H]1CCN(Cc2ccccc2O)C1)N1CCCC1 ZINC000179586753 407809882 /nfs/dbraw/zinc/80/98/82/407809882.db2.gz HQKZNZCUUOTSDQ-AWEZNQCLSA-N 0 3 310.419 1.392 20 10 DDCDHN C[NH+](C)CCCOC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000187167409 407830062 /nfs/dbraw/zinc/83/00/62/407830062.db2.gz PMDMUSQGEDPNGL-UHFFFAOYSA-N 0 3 322.405 1.671 20 10 DDCDHN CCN1CC[C@H]2OCCN(Cc3cc4c(cc3O)OCO4)[C@H]2C1 ZINC000293547268 409135685 /nfs/dbraw/zinc/13/56/85/409135685.db2.gz DLXBXWJHVMOOMG-DZGCQCFKSA-N 0 3 320.389 1.416 20 10 DDCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCn2cc(CO)nn2)c([O-])c1 ZINC000293975472 409218537 /nfs/dbraw/zinc/21/85/37/409218537.db2.gz AZRNLKRCNJRXPS-CYBMUJFWSA-N 0 3 304.394 1.834 20 10 DDCDHN Cc1cc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)ccc1N(C)C ZINC000294447804 409290917 /nfs/dbraw/zinc/29/09/17/409290917.db2.gz FTHPKPLLCKZEKR-JKSUJKDBSA-N 0 3 305.466 1.948 20 10 DDCDHN CC(C)S(=O)(=O)CCNCc1cc2c(cc1O)OCO2 ZINC000290176443 409313565 /nfs/dbraw/zinc/31/35/65/409313565.db2.gz NILPNBURCRGFTH-UHFFFAOYSA-N 0 3 301.364 1.034 20 10 DDCDHN CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296701453 409632741 /nfs/dbraw/zinc/63/27/41/409632741.db2.gz HRQXRCZKYCCSGR-AAEUAGOBSA-N 0 3 310.419 1.251 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCN1C ZINC000299615363 410602123 /nfs/dbraw/zinc/60/21/23/410602123.db2.gz ZNZNVQBBZAQEGH-KRWDZBQOSA-N 0 3 317.433 1.576 20 10 DDCDHN COC[C@@H](C)OC[C@H](O)CNCc1c(C)c2ccccc2n1C ZINC000572114509 421764247 /nfs/dbraw/zinc/76/42/47/421764247.db2.gz YOQKLVAZWLVLAX-UKRRQHHQSA-N 0 3 320.433 1.989 20 10 DDCDHN C[C@@H]1C[C@@H]1N1C[C@H](NCc2ccc(N(C)C)c(F)c2)CC1=O ZINC000363414549 331901563 /nfs/dbraw/zinc/90/15/63/331901563.db2.gz OMIBMUWKKGXBBZ-KFNAQCHYSA-N 0 3 305.397 1.991 20 10 DDCDHN CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000180219377 524082054 /nfs/dbraw/zinc/08/20/54/524082054.db2.gz GPGRLRCXEJZVNI-LLVKDONJSA-N 0 3 308.378 1.367 20 10 DDCDHN CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000180219377 524082055 /nfs/dbraw/zinc/08/20/55/524082055.db2.gz GPGRLRCXEJZVNI-LLVKDONJSA-N 0 3 308.378 1.367 20 10 DDCDHN C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccccc1[O-] ZINC000179903220 525678113 /nfs/dbraw/zinc/67/81/13/525678113.db2.gz WTWDKWBZBYMHIS-OCCSQVGLSA-N 0 3 314.389 1.972 20 10 DDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[O-])[C@@H]1OC ZINC000274898593 535506803 /nfs/dbraw/zinc/50/68/03/535506803.db2.gz GHYMQYHMUQJABQ-XZJROXQQSA-N 0 3 311.378 1.691 20 10 DDCDHN CCO[C@@H]1C[C@H](NCc2cc(OC)c(OC)cc2O)[C@@H]1OC ZINC000274898593 535506808 /nfs/dbraw/zinc/50/68/08/535506808.db2.gz GHYMQYHMUQJABQ-XZJROXQQSA-N 0 3 311.378 1.691 20 10 DDCDHN CCCNC(=O)NC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000775370021 697989163 /nfs/dbraw/zinc/98/91/63/697989163.db2.gz DUSOGAOSLJOYJI-JTQLQIEISA-N 0 3 309.366 1.287 20 10 DDCDHN CS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000314654533 698690908 /nfs/dbraw/zinc/69/09/08/698690908.db2.gz ZZKIZPFDUAUGIT-CYBMUJFWSA-N 0 3 310.419 1.393 20 10 DDCDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H](CO)O1 ZINC000787416887 699210968 /nfs/dbraw/zinc/21/09/68/699210968.db2.gz KLJYFOIDSDYKJP-CRAIPNDOSA-N 0 3 319.449 1.020 20 10 DDCDHN CCC[N@H+](CCC(=O)N(C)CC(=O)OC)Cc1ccccc1[O-] ZINC000731849846 699537995 /nfs/dbraw/zinc/53/79/95/699537995.db2.gz HRDMJRVMGORBLM-UHFFFAOYSA-N 0 3 322.405 1.626 20 10 DDCDHN CCC[N@@H+](CCC(=O)N(C)CC(=O)OC)Cc1ccccc1[O-] ZINC000731849846 699537997 /nfs/dbraw/zinc/53/79/97/699537997.db2.gz HRDMJRVMGORBLM-UHFFFAOYSA-N 0 3 322.405 1.626 20 10 DDCDHN CCOCCOC[C@H](O)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000792195101 699682143 /nfs/dbraw/zinc/68/21/43/699682143.db2.gz DAFWUNRKRXSGIP-CQSZACIVSA-N 0 3 317.813 1.858 20 10 DDCDHN CCN1CCN(C[C@@H](C)CNC(=O)C2=CC(=O)CS2)CC1 ZINC000759096190 700736983 /nfs/dbraw/zinc/73/69/83/700736983.db2.gz XABLMGTYBQOLGF-LBPRGKRZSA-N 0 3 311.451 1.457 20 10 DDCDHN CCOC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768438526 701176822 /nfs/dbraw/zinc/17/68/22/701176822.db2.gz SYSGOFRZDXMODA-XHDPSFHLSA-N 0 3 321.373 1.593 20 10 DDCDHN CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768438526 701176823 /nfs/dbraw/zinc/17/68/23/701176823.db2.gz SYSGOFRZDXMODA-XHDPSFHLSA-N 0 3 321.373 1.593 20 10 DDCDHN C[C@@H](O)[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000840975907 702299492 /nfs/dbraw/zinc/29/94/92/702299492.db2.gz AKAISRHVNGSGDL-QAPCUYQASA-N 0 3 319.449 1.020 20 10 DDCDHN C[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)N1CCC(C)CC1 ZINC000841023193 702313854 /nfs/dbraw/zinc/31/38/54/702313854.db2.gz QCXSTVVVLVRUGS-CYBMUJFWSA-N 0 3 318.421 1.444 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000841823618 702573403 /nfs/dbraw/zinc/57/34/03/702573403.db2.gz DPSXKTQLPLECDB-UONOGXRCSA-N 0 3 304.438 1.953 20 10 DDCDHN CN(C)c1ccc(/C=C\CN[C@@H]2CCC(=O)N(C)C2=O)cc1 ZINC000818233844 702612529 /nfs/dbraw/zinc/61/25/29/702612529.db2.gz PJURUABRWALUEP-FOSCPCJNSA-N 0 3 301.390 1.503 20 10 DDCDHN COc1c([O-])c(CN2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843052893 702809119 /nfs/dbraw/zinc/80/91/19/702809119.db2.gz XTAIXZVOZZESSC-MNOVXSKESA-N 0 3 309.366 1.868 20 10 DDCDHN CC[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000846189248 703248638 /nfs/dbraw/zinc/24/86/38/703248638.db2.gz QMALWKLBQJPIQL-OCCSQVGLSA-N 0 3 312.435 1.775 20 10 DDCDHN CCO[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]1C[NH3+] ZINC000846225349 703253673 /nfs/dbraw/zinc/25/36/73/703253673.db2.gz NBJCAKFLJOFSBT-IUODEOHRSA-N 0 3 310.369 1.530 20 10 DDCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000879651865 706750129 /nfs/dbraw/zinc/75/01/29/706750129.db2.gz NOAZPPBVMVTMIK-AVGNSLFASA-N 0 3 319.405 1.155 20 10 DDCDHN COc1cc(O)c(CN2CC[C@H](N3CCOC3=O)C2)cc1OC ZINC000853539864 704263344 /nfs/dbraw/zinc/26/33/44/704263344.db2.gz WSHPDPJCUOEISH-LBPRGKRZSA-N 0 3 322.361 1.436 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C2)cc1 ZINC000855223402 704473930 /nfs/dbraw/zinc/47/39/30/704473930.db2.gz GPDSBOIXXOOFAH-CYBMUJFWSA-N 0 3 314.389 1.664 20 10 DDCDHN CN(Cc1ccc(N2CCCCC2)cc1)c1nc(N)nc(N)n1 ZINC000858326740 704695570 /nfs/dbraw/zinc/69/55/70/704695570.db2.gz CHVYEHUMSAZCKQ-UHFFFAOYSA-N 0 3 313.409 1.663 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@@](OC)(C(=O)OC)C2)c([O-])c1 ZINC000862473594 705720730 /nfs/dbraw/zinc/72/07/30/705720730.db2.gz BHVPMXXZMMJCAX-INIZCTEOSA-N 0 3 309.362 1.555 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@@](OC)(C(=O)OC)C2)c([O-])c1 ZINC000862473594 705720732 /nfs/dbraw/zinc/72/07/32/705720732.db2.gz BHVPMXXZMMJCAX-INIZCTEOSA-N 0 3 309.362 1.555 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CCN2CC[C@@H](O)C2)c1[O-] ZINC000862532242 705727653 /nfs/dbraw/zinc/72/76/53/705727653.db2.gz UNUGRCKUEPYHAW-GFCCVEGCSA-N 0 3 300.786 1.210 20 10 DDCDHN CCOc1cccc(CN2CCN(c3nccn3C)CC2)c1O ZINC000827892379 706082804 /nfs/dbraw/zinc/08/28/04/706082804.db2.gz XIKMCLPAHAYJHU-UHFFFAOYSA-N 0 3 316.405 1.847 20 10 DDCDHN CCOc1ccc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)c([O-])c1 ZINC000865770679 706521942 /nfs/dbraw/zinc/52/19/42/706521942.db2.gz UNRVZTLTGDJCNU-MRXNPFEDSA-N 0 3 322.361 1.102 20 10 DDCDHN COc1ccc(CN[C@H]2CCCNC2=O)cc1Cn1cccn1 ZINC000873030868 707700973 /nfs/dbraw/zinc/70/09/73/707700973.db2.gz LVUBQLMNBGXPPF-HNNXBMFYSA-N 0 3 314.389 1.308 20 10 DDCDHN COCC[C@H](N)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000884198392 708184642 /nfs/dbraw/zinc/18/46/42/708184642.db2.gz UXZAZRHJXKCPOH-INIZCTEOSA-N 0 3 321.421 1.098 20 10 DDCDHN CCOC(=O)N1C[C@H](NCc2ccc3c(c2)CCO3)[C@@H](CO)C1 ZINC000898359037 708621677 /nfs/dbraw/zinc/62/16/77/708621677.db2.gz LWPREVCXROHRQA-CABCVRRESA-N 0 3 320.389 1.160 20 10 DDCDHN CCn1ncc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000898449444 708643630 /nfs/dbraw/zinc/64/36/30/708643630.db2.gz FUIWNEYMTONPJC-QGZVFWFLSA-N 0 3 316.453 1.757 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC(F)C2)N(C)C)cc1 ZINC000899103630 708984332 /nfs/dbraw/zinc/98/43/32/708984332.db2.gz NPYLWCCDPWCNNI-HNNXBMFYSA-N 0 3 308.401 1.719 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c(O)c1O ZINC000889760082 709617907 /nfs/dbraw/zinc/61/79/07/709617907.db2.gz BBMAYUBTEZDGCJ-ZIAGYGMSSA-N 0 3 320.389 1.077 20 10 DDCDHN CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1c([O-])cccc1F ZINC000900669457 709704268 /nfs/dbraw/zinc/70/42/68/709704268.db2.gz KGPMNAMZUPTFKR-INIZCTEOSA-N 0 3 324.396 1.941 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cn(C)cn2)N(C)C)cc1 ZINC000891251926 710142502 /nfs/dbraw/zinc/14/25/02/710142502.db2.gz ICKLWAOENNCCTJ-MRXNPFEDSA-N 0 3 315.421 1.519 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCOC2)N(C)C)cc1 ZINC000891255713 710143705 /nfs/dbraw/zinc/14/37/05/710143705.db2.gz RIDQVHOOFJXLEG-GOEBONIOSA-N 0 3 305.422 1.508 20 10 DDCDHN CCC[C@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891258413 710144541 /nfs/dbraw/zinc/14/45/41/710144541.db2.gz SEDUKNPZXPMTTP-HOTGVXAUSA-N 0 3 307.438 1.633 20 10 DDCDHN COC[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891470352 710210766 /nfs/dbraw/zinc/21/07/66/710210766.db2.gz MCKBNTHOPIFEIL-XJKSGUPXSA-N 0 3 322.453 1.689 20 10 DDCDHN COc1ccc(CN2C[C@H](C)N(CCO)C[C@H]2C)c(O)c1OC ZINC000894954966 711336932 /nfs/dbraw/zinc/33/69/32/711336932.db2.gz FCCCNRWMDBLUSE-QWHCGFSZSA-N 0 3 324.421 1.296 20 10 DDCDHN Cc1nc([C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)no1 ZINC000905681754 712116667 /nfs/dbraw/zinc/11/66/67/712116667.db2.gz ISCUTFXXDRJXQL-HZMBPMFUSA-N 0 3 317.345 1.499 20 10 DDCDHN Cc1nc([C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)no1 ZINC000905681754 712116668 /nfs/dbraw/zinc/11/66/68/712116668.db2.gz ISCUTFXXDRJXQL-HZMBPMFUSA-N 0 3 317.345 1.499 20 10 DDCDHN C[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C[N@@H+]1C1CC1 ZINC000921384058 713751849 /nfs/dbraw/zinc/75/18/49/713751849.db2.gz IXJGLQXNGCBCGJ-QWRGUYRKSA-N 0 3 307.369 1.956 20 10 DDCDHN C[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C[N@H+]1C1CC1 ZINC000921384058 713751852 /nfs/dbraw/zinc/75/18/52/713751852.db2.gz IXJGLQXNGCBCGJ-QWRGUYRKSA-N 0 3 307.369 1.956 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000922850710 714166000 /nfs/dbraw/zinc/16/60/00/714166000.db2.gz ARBBYLZKCOUWHJ-YOGCLGLASA-N 0 3 311.403 1.599 20 10 DDCDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cn(C)cn2)C1 ZINC000932416354 714326243 /nfs/dbraw/zinc/32/62/43/714326243.db2.gz ONLQWMDNPWDFES-FDMDGMSGSA-N 0 3 310.401 1.953 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CC[C@H]2CNCCS2(=O)=O)c([O-])c1 ZINC000925801903 714938672 /nfs/dbraw/zinc/93/86/72/714938672.db2.gz YPJOFSOYORDQFG-STQMWFEESA-N 0 3 312.435 1.128 20 10 DDCDHN CN(C)Cc1ccc(NCCc2cc(O)c(O)cc2O)nc1 ZINC001168005415 740534206 /nfs/dbraw/zinc/53/42/06/740534206.db2.gz COUYAOPZEGKLQN-UHFFFAOYSA-N 0 3 303.362 1.915 20 10 DDCDHN C[C@H](CNC(=O)c1cc(O)c([O-])c(O)c1)CC(C)(C)CC[NH3+] ZINC001148590327 773541417 /nfs/dbraw/zinc/54/14/17/773541417.db2.gz HUCXBCBQQSKYLO-JTQLQIEISA-N 0 3 310.394 1.934 20 10 DDCDHN CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CC1=O ZINC001171688211 776433611 /nfs/dbraw/zinc/43/36/11/776433611.db2.gz DYWIJGZHJMKRBY-NSHDSACASA-N 0 3 322.361 1.723 20 10 DDCDHN CN(C)C(=O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[O-] ZINC001275267498 852940538 /nfs/dbraw/zinc/94/05/38/852940538.db2.gz PVFQREKPLTYDPH-MQVJKMGUSA-N 0 3 317.433 1.565 20 10 DDCDHN CN(C)C(=O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[O-] ZINC001275267498 852940542 /nfs/dbraw/zinc/94/05/42/852940542.db2.gz PVFQREKPLTYDPH-MQVJKMGUSA-N 0 3 317.433 1.565 20 10 DDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2CN(CCn3ccnc3)C[C@H]21 ZINC001275267353 852941249 /nfs/dbraw/zinc/94/12/49/852941249.db2.gz MAYZDEPLZSLMPR-DOTOQJQBSA-N 0 3 312.417 1.795 20 10 DDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2CN(CCn3ccnc3)C[C@H]21 ZINC001275267353 852941257 /nfs/dbraw/zinc/94/12/57/852941257.db2.gz MAYZDEPLZSLMPR-DOTOQJQBSA-N 0 3 312.417 1.795 20 10 DDCDHN COC[C@@H]1COCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139411182 860389610 /nfs/dbraw/zinc/38/96/10/860389610.db2.gz YFXHIDCXAFAZTR-GOSISDBHSA-N 0 3 319.449 1.286 20 10 DDCDHN COC(=O)[C@H]1C[N@H+](Cc2c([O-])cc(OC)cc2OC)CC12CC2 ZINC001141032974 860768976 /nfs/dbraw/zinc/76/89/76/860768976.db2.gz VKCHAOBLCVUXTG-CYBMUJFWSA-N 0 3 321.373 1.794 20 10 DDCDHN COC(=O)[C@H]1C[N@@H+](Cc2c([O-])cc(OC)cc2OC)CC12CC2 ZINC001141032974 860768977 /nfs/dbraw/zinc/76/89/77/860768977.db2.gz VKCHAOBLCVUXTG-CYBMUJFWSA-N 0 3 321.373 1.794 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+][C@@]2(C)CCNC2=O)c1[O-] ZINC001334336580 867496484 /nfs/dbraw/zinc/49/64/84/867496484.db2.gz OSXRZBBBBQBTCE-ZDUSSCGKSA-N 0 3 313.195 1.831 20 10 DDCDHN O=C1[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2CN1CC1CC1 ZINC001203876988 870813824 /nfs/dbraw/zinc/81/38/24/870813824.db2.gz AUUCVUSEKILPPZ-KBPBESRZSA-N 0 3 302.374 1.398 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)[C@@H]2CNCCN2C)cc1F ZINC001340076256 870879049 /nfs/dbraw/zinc/87/90/49/870879049.db2.gz AQMCGAYZLVAKQP-INIZCTEOSA-N 0 3 322.428 1.192 20 10 DDCDHN CCN1CCC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)C1=O ZINC001204281067 871036112 /nfs/dbraw/zinc/03/61/12/871036112.db2.gz PBYDYEMHPXXBAL-UHFFFAOYSA-N 0 3 304.390 1.932 20 10 DDCDHN Cc1cnc(O[C@@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)nc1 ZINC001204282680 871039637 /nfs/dbraw/zinc/03/96/37/871039637.db2.gz SJWDYGIFRBIEMS-CQSZACIVSA-N 0 3 301.346 1.850 20 10 DDCDHN Cc1cnc(O[C@@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)nc1 ZINC001204282680 871039658 /nfs/dbraw/zinc/03/96/58/871039658.db2.gz SJWDYGIFRBIEMS-CQSZACIVSA-N 0 3 301.346 1.850 20 10 DDCDHN CCOC(=O)[C@@H]1CNCCN1Cc1c(C)n(C)c2ccccc21 ZINC001211362983 875773040 /nfs/dbraw/zinc/77/30/40/875773040.db2.gz YWJTYYANECYVJA-KRWDZBQOSA-N 0 3 315.417 1.824 20 10 DDCDHN CCN(CC)c1ccc(CN2CC3(C[C@H]3C(N)=O)C2)c(O)c1 ZINC001277533807 885734719 /nfs/dbraw/zinc/73/47/19/885734719.db2.gz NJSHYWWQEDJGLI-AWEZNQCLSA-N 0 3 303.406 1.546 20 10 DDCDHN COC(=O)C1(C)CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231635319 885771475 /nfs/dbraw/zinc/77/14/75/885771475.db2.gz GOTJBGAJNJWZJA-UHFFFAOYSA-N 0 3 309.362 1.882 20 10 DDCDHN CC(C)CC(=O)NC1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233485134 887019586 /nfs/dbraw/zinc/01/95/86/887019586.db2.gz KFECNPKUINGLAY-UHFFFAOYSA-N 0 3 322.405 1.930 20 10 DDCDHN COc1cc([O-])c(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1Cl ZINC001235998865 889051993 /nfs/dbraw/zinc/05/19/93/889051993.db2.gz QLYYBYRDTLLZTA-YWXMQNBFSA-N 0 3 312.797 1.460 20 10 DDCDHN COC(=O)[C@H]1CN(Cc2c(C)cc(OC)cc2O)CCCO1 ZINC001236821938 889370677 /nfs/dbraw/zinc/37/06/77/889370677.db2.gz WVIZMMQHZLYJEZ-OAHLLOKOSA-N 0 3 309.362 1.473 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@H](CO)[C@H](O)C3)ccc2O1 ZINC001249223466 893880626 /nfs/dbraw/zinc/88/06/26/893880626.db2.gz HJUURGBGAHKXDP-DZGCQCFKSA-N 0 3 319.401 1.752 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@H](CO)[C@H](O)C3)ccc2O1 ZINC001249223466 893880640 /nfs/dbraw/zinc/88/06/40/893880640.db2.gz HJUURGBGAHKXDP-DZGCQCFKSA-N 0 3 319.401 1.752 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CNC(C)(C)C(C)(C)O)cc1 ZINC000299702467 529781339 /nfs/dbraw/zinc/78/13/39/529781339.db2.gz PBXGEXFYNRCVHV-UHFFFAOYSA-N 0 3 307.438 1.508 20 10 DDCDHN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000361064818 285290489 /nfs/dbraw/zinc/29/04/89/285290489.db2.gz CLPZYZCMFUIPFS-LSDHHAIUSA-N 0 3 308.397 1.952 20 10 DDCDHN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000361064818 285290490 /nfs/dbraw/zinc/29/04/90/285290490.db2.gz CLPZYZCMFUIPFS-LSDHHAIUSA-N 0 3 308.397 1.952 20 10 DDCDHN COCCCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000039255762 221453702 /nfs/dbraw/zinc/45/37/02/221453702.db2.gz NOAQWHACZSLAHY-UHFFFAOYSA-N 0 3 324.421 1.871 20 10 DDCDHN COCCN1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272544771 130040065 /nfs/dbraw/zinc/04/00/65/130040065.db2.gz YKPCBKZCPUGKGM-GQCTYLIASA-N 0 3 320.389 1.292 20 10 DDCDHN CCCN(Cc1ccccc1O)C(=O)[C@H](N)CCC(=O)OC ZINC000288778361 131338671 /nfs/dbraw/zinc/33/86/71/131338671.db2.gz PUMXUKMAZXPVFR-CYBMUJFWSA-N 0 3 308.378 1.411 20 10 DDCDHN CC[C@H](C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)N(C)C ZINC000151646147 407469459 /nfs/dbraw/zinc/46/94/59/407469459.db2.gz GCKQUNVWDUCTJZ-OAHLLOKOSA-N 0 3 323.412 1.823 20 10 DDCDHN CN(C)C(=O)CCN1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000271205335 407572556 /nfs/dbraw/zinc/57/25/56/407572556.db2.gz ZMAKLIHHRIWEBC-UHFFFAOYSA-N 0 3 318.465 1.349 20 10 DDCDHN CCN(CC)c1ccc(CNCCS(=O)(=O)N(C)C)cc1 ZINC000230991500 407691257 /nfs/dbraw/zinc/69/12/57/407691257.db2.gz BOWAVPZJFBAYFL-UHFFFAOYSA-N 0 3 313.467 1.514 20 10 DDCDHN CN(C)c1ccc(CNC(=O)NCC2=CCN(C)CC2)cc1F ZINC000272063022 407761822 /nfs/dbraw/zinc/76/18/22/407761822.db2.gz IJJCGGQOEUUXLO-UHFFFAOYSA-N 0 3 320.412 1.953 20 10 DDCDHN CC(=O)N1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000179812305 407831732 /nfs/dbraw/zinc/83/17/32/407831732.db2.gz OCIJEUDNWNQEHZ-UHFFFAOYSA-N 0 3 317.433 1.577 20 10 DDCDHN CN(C)CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000133477282 407850498 /nfs/dbraw/zinc/85/04/98/407850498.db2.gz JIBGBAVFKBRISL-UHFFFAOYSA-N 0 3 324.400 1.023 20 10 DDCDHN COc1cc(O)c(CN2CC[C@]3(CNC(=O)C3)C2)cc1OC ZINC000278793098 409089184 /nfs/dbraw/zinc/08/91/84/409089184.db2.gz PBBKPOARYMOHPD-INIZCTEOSA-N 0 3 306.362 1.121 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)cc1OC ZINC000278793098 409089186 /nfs/dbraw/zinc/08/91/86/409089186.db2.gz PBBKPOARYMOHPD-INIZCTEOSA-N 0 3 306.362 1.121 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)cc1OC ZINC000278793098 409089188 /nfs/dbraw/zinc/08/91/88/409089188.db2.gz PBBKPOARYMOHPD-INIZCTEOSA-N 0 3 306.362 1.121 20 10 DDCDHN C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2ccccc2[O-])NC(=O)NC1=O ZINC000289719088 409284781 /nfs/dbraw/zinc/28/47/81/409284781.db2.gz PGERJSAZKJNPJI-BLLLJJGKSA-N 0 3 303.362 1.345 20 10 DDCDHN C[C@]1(C[C@@H]2CCC[N@H+]2Cc2ccccc2[O-])NC(=O)NC1=O ZINC000289719088 409284782 /nfs/dbraw/zinc/28/47/82/409284782.db2.gz PGERJSAZKJNPJI-BLLLJJGKSA-N 0 3 303.362 1.345 20 10 DDCDHN COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000295136239 409340197 /nfs/dbraw/zinc/34/01/97/409340197.db2.gz YWUZZVGGKMYRPX-INIZCTEOSA-N 0 3 323.345 1.132 20 10 DDCDHN COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000295136239 409340202 /nfs/dbraw/zinc/34/02/02/409340202.db2.gz YWUZZVGGKMYRPX-INIZCTEOSA-N 0 3 323.345 1.132 20 10 DDCDHN CCCOc1ccc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c([O-])c1 ZINC000366485473 418480113 /nfs/dbraw/zinc/48/01/13/418480113.db2.gz WKPVSQIYMKHCBN-KGLIPLIRSA-N 0 3 318.373 1.276 20 10 DDCDHN CCCOc1ccc(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c([O-])c1 ZINC000366485473 418480116 /nfs/dbraw/zinc/48/01/16/418480116.db2.gz WKPVSQIYMKHCBN-KGLIPLIRSA-N 0 3 318.373 1.276 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCO[C@]3(CCOC3)C1)OCO2 ZINC000374281842 418514397 /nfs/dbraw/zinc/51/43/97/418514397.db2.gz CWFJBXNZXTYQDY-MLGOLLRUSA-N 0 3 307.346 1.549 20 10 DDCDHN CCOc1cccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1O ZINC000378346027 418720896 /nfs/dbraw/zinc/72/08/96/418720896.db2.gz CCVUGLVFWMVDCN-JKSUJKDBSA-N 0 3 320.433 1.822 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CC[C@@H]3CCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000370526780 418745419 /nfs/dbraw/zinc/74/54/19/418745419.db2.gz GBDAUMSDUAEBJX-FZMZJTMJSA-N 0 3 321.377 1.835 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CC[C@@H]3CCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000370526780 418745420 /nfs/dbraw/zinc/74/54/20/418745420.db2.gz GBDAUMSDUAEBJX-FZMZJTMJSA-N 0 3 321.377 1.835 20 10 DDCDHN CCOc1ccc(O)c(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000371324827 418779923 /nfs/dbraw/zinc/77/99/23/418779923.db2.gz AUUUQRGHMPFLNB-FUHWJXTLSA-N 0 3 320.433 1.822 20 10 DDCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000368601238 418722636 /nfs/dbraw/zinc/72/26/36/418722636.db2.gz JSKXTRDGQOYCCF-RDJZCZTQSA-N 0 3 303.450 1.850 20 10 DDCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000368601238 418722637 /nfs/dbraw/zinc/72/26/37/418722637.db2.gz JSKXTRDGQOYCCF-RDJZCZTQSA-N 0 3 303.450 1.850 20 10 DDCDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)NC3CC3)CC2)c1 ZINC000378437433 418723682 /nfs/dbraw/zinc/72/36/82/418723682.db2.gz GILGRACOLFHAKW-UHFFFAOYSA-N 0 3 304.390 1.891 20 10 DDCDHN COc1ccc2c(c1)CCN2C(=O)c1cn[n-]c1[C@H]1CC[NH2+]C1 ZINC000662422931 424626640 /nfs/dbraw/zinc/62/66/40/424626640.db2.gz RWSGBJMWEUCSCJ-LBPRGKRZSA-N 0 3 312.373 1.698 20 10 DDCDHN COc1ccc(N2CCCN(C(=O)/C=C/CN(C)C)CC2)cc1 ZINC000370804445 332257435 /nfs/dbraw/zinc/25/74/35/332257435.db2.gz UYKOQTVTHRYVKI-GQCTYLIASA-N 0 3 317.433 1.852 20 10 DDCDHN CCN1CCN(c2ccc(CN[C@@H](C)CC(N)=O)cc2F)CC1 ZINC000267217505 521698294 /nfs/dbraw/zinc/69/82/94/521698294.db2.gz INPZNDHPEXKPOL-ZDUSSCGKSA-N 0 3 322.428 1.321 20 10 DDCDHN C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1CO ZINC000190342613 524497162 /nfs/dbraw/zinc/49/71/62/524497162.db2.gz ZJDUYAYQHMYWAK-RHSMWYFYSA-N 0 3 319.449 1.414 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000182360391 697473843 /nfs/dbraw/zinc/47/38/43/697473843.db2.gz VHNGLLMHGNTTQB-UPJWGTAASA-N 0 3 322.405 1.687 20 10 DDCDHN CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)c1ccccc1[O-] ZINC000186262539 697531473 /nfs/dbraw/zinc/53/14/73/697531473.db2.gz WQSGIZHHTCPVDE-CYBMUJFWSA-N 0 3 300.424 1.761 20 10 DDCDHN CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000775369091 697989398 /nfs/dbraw/zinc/98/93/98/697989398.db2.gz JCOJGAHLRXSWMI-NXEZZACHSA-N 0 3 309.366 1.286 20 10 DDCDHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3cn[nH]c3)cc2)C1 ZINC000749919506 700192235 /nfs/dbraw/zinc/19/22/35/700192235.db2.gz FPQBWGAUGWLMLE-HNNXBMFYSA-N 0 3 313.405 1.401 20 10 DDCDHN CC[C@@]1(O)CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000778399210 698271596 /nfs/dbraw/zinc/27/15/96/698271596.db2.gz WLUAIOPNAJBCBF-GOSISDBHSA-N 0 3 319.449 1.558 20 10 DDCDHN N[C@@H](CC1CC1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000324017808 698743152 /nfs/dbraw/zinc/74/31/52/698743152.db2.gz MSQRDWGRRCWNAA-HNNXBMFYSA-N 0 3 321.396 1.406 20 10 DDCDHN CCC[N@H+](CCC(=O)N1CCOCC1)Cc1ccccc1[O-] ZINC000750874983 700252335 /nfs/dbraw/zinc/25/23/35/700252335.db2.gz KARMDGWZEKGREY-UHFFFAOYSA-N 0 3 306.406 1.853 20 10 DDCDHN CCC[N@@H+](CCC(=O)N1CCOCC1)Cc1ccccc1[O-] ZINC000750874983 700252339 /nfs/dbraw/zinc/25/23/39/700252339.db2.gz KARMDGWZEKGREY-UHFFFAOYSA-N 0 3 306.406 1.853 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@H](N)CC3CC3)CC2)cc1 ZINC000389118974 699087393 /nfs/dbraw/zinc/08/73/93/699087393.db2.gz LXHKQZVVGLTWAA-MRXNPFEDSA-N 0 3 303.406 1.471 20 10 DDCDHN CCN1CCN(CCC(=O)NCc2cc(OC)ccc2O)CC1 ZINC000734014892 699632708 /nfs/dbraw/zinc/63/27/08/699632708.db2.gz JSFVMOPGDGXOPO-UHFFFAOYSA-N 0 3 321.421 1.045 20 10 DDCDHN O=S1(=O)CCN(c2ccc(CNCc3cc[nH]c3)cc2)CC1 ZINC000754889677 700536290 /nfs/dbraw/zinc/53/62/90/700536290.db2.gz LVJNSZFPLYPCRX-UHFFFAOYSA-N 0 3 319.430 1.539 20 10 DDCDHN COc1cc(N2CCN(C[C@H](C)CO)CC2)cc(OC)c1OC ZINC000759876781 700779092 /nfs/dbraw/zinc/77/90/92/700779092.db2.gz CCUCFAIJQJLIRE-ZDUSSCGKSA-N 0 3 324.421 1.463 20 10 DDCDHN COc1cc(C)cc(CN2CC[C@@H](NC(=O)NC3CC3)C2)c1O ZINC000760547586 700813541 /nfs/dbraw/zinc/81/35/41/700813541.db2.gz BVOZHVSHZSIYJA-CQSZACIVSA-N 0 3 319.405 1.745 20 10 DDCDHN CCOC(=O)CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768439786 701177068 /nfs/dbraw/zinc/17/70/68/701177068.db2.gz JVYDRBXRYCFQQZ-HNNXBMFYSA-N 0 3 321.373 1.736 20 10 DDCDHN CCOC(=O)CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768439786 701177070 /nfs/dbraw/zinc/17/70/70/701177070.db2.gz JVYDRBXRYCFQQZ-HNNXBMFYSA-N 0 3 321.373 1.736 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000769493468 701247344 /nfs/dbraw/zinc/24/73/44/701247344.db2.gz STMTXCKJGLLRBK-AWEZNQCLSA-N 0 3 306.406 1.555 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000769493468 701247345 /nfs/dbraw/zinc/24/73/45/701247345.db2.gz STMTXCKJGLLRBK-AWEZNQCLSA-N 0 3 306.406 1.555 20 10 DDCDHN CC[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1O ZINC000770380659 701275670 /nfs/dbraw/zinc/27/56/70/701275670.db2.gz NIIMQBLAZPDQKL-RHSMWYFYSA-N 0 3 308.397 1.865 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@H](N)C3CCC3)CC2)cc1F ZINC000831146032 706644154 /nfs/dbraw/zinc/64/41/54/706644154.db2.gz BCDPPQBJKDEYHB-MRXNPFEDSA-N 0 3 321.396 1.610 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+](C[C@@H](O)CO)C(C)C)c1[O-] ZINC000817417727 702375109 /nfs/dbraw/zinc/37/51/09/702375109.db2.gz OIGIWWAGYXJOQA-GFCCVEGCSA-N 0 3 303.786 1.618 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+](C[C@@H](O)CO)C(C)C)c1[O-] ZINC000817417727 702375116 /nfs/dbraw/zinc/37/51/16/702375116.db2.gz OIGIWWAGYXJOQA-GFCCVEGCSA-N 0 3 303.786 1.618 20 10 DDCDHN CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1ccc(C)cc1[O-] ZINC000866439896 706699549 /nfs/dbraw/zinc/69/95/49/706699549.db2.gz KWAGDEBYKQINKU-SGMGOOAPSA-N 0 3 322.405 1.808 20 10 DDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000866440414 706699814 /nfs/dbraw/zinc/69/98/14/706699814.db2.gz QCBZHBDULMRPSF-GUBZILKMSA-N 0 3 312.341 1.248 20 10 DDCDHN CN(C)c1ccc(CNC(=O)C2(N)Cc3ccccc3C2)cc1 ZINC000844166727 702981120 /nfs/dbraw/zinc/98/11/20/702981120.db2.gz RBBBRMURDSVVSM-UHFFFAOYSA-N 0 3 309.413 1.865 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H]2C[C@H](O)C2(C)C)cc1 ZINC000846957437 703357461 /nfs/dbraw/zinc/35/74/61/703357461.db2.gz FXZRUNGSHGKAEE-CVEARBPZSA-N 0 3 319.449 1.460 20 10 DDCDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000850851255 703759068 /nfs/dbraw/zinc/75/90/68/703759068.db2.gz DOTGIPYRBXYVFH-ZDUSSCGKSA-N 0 3 318.421 1.444 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C2)cc1 ZINC000852899999 704166627 /nfs/dbraw/zinc/16/66/27/704166627.db2.gz GCBSRYBIWJPGBF-SWLSCSKDSA-N 0 3 305.422 1.764 20 10 DDCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000858243580 704683878 /nfs/dbraw/zinc/68/38/78/704683878.db2.gz LJJMFGQBHYWQQA-CYBMUJFWSA-N 0 3 310.361 1.198 20 10 DDCDHN C[C@@H](O)[C@@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000865740617 706512116 /nfs/dbraw/zinc/51/21/16/706512116.db2.gz JHMNLXINDYRRKG-WBMJQRKESA-N 0 3 323.393 1.416 20 10 DDCDHN CN(C)c1ccc(/C=C/CNCC2(S(C)(=O)=O)CC2)cc1 ZINC000835051458 707162761 /nfs/dbraw/zinc/16/27/61/707162761.db2.gz GCSYYSMPABVAKV-SNAWJCMRSA-N 0 3 308.447 1.933 20 10 DDCDHN COC(=O)c1cc(C2CN(Cc3cccc(OC)c3O)C2)[nH]n1 ZINC000898004763 708517239 /nfs/dbraw/zinc/51/72/39/708517239.db2.gz MAYALECOFNGSDW-UHFFFAOYSA-N 0 3 317.345 1.510 20 10 DDCDHN CCc1cccc(C[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1O ZINC000898151343 708557938 /nfs/dbraw/zinc/55/79/38/708557938.db2.gz LLFIJRWWXWDZNE-CQSZACIVSA-N 0 3 314.389 1.819 20 10 DDCDHN C[C@@H]1CO[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891243086 710139551 /nfs/dbraw/zinc/13/95/51/710139551.db2.gz GVOVRBSOHKSDNE-RRQGHBQHSA-N 0 3 319.449 1.897 20 10 DDCDHN Cc1nn[nH]c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248968 710141349 /nfs/dbraw/zinc/14/13/49/710141349.db2.gz OKSRYGUIGHPWIR-CQSZACIVSA-N 0 3 316.409 1.212 20 10 DDCDHN CCO[C@@H]1C[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256489 710143737 /nfs/dbraw/zinc/14/37/37/710143737.db2.gz YTTJGZVYULJYIJ-IXDOHACOSA-N 0 3 319.449 1.897 20 10 DDCDHN COc1ccc(CN(C)CCN2CCOCC2)c(O)c1OC ZINC000891905198 710323179 /nfs/dbraw/zinc/32/31/79/710323179.db2.gz BCFAUCJAIDDHNU-UHFFFAOYSA-N 0 3 310.394 1.173 20 10 DDCDHN COc1ccc(CN2C[C@@H](C)N(CCO)C[C@H]2C)c(O)c1OC ZINC000894954964 711337297 /nfs/dbraw/zinc/33/72/97/711337297.db2.gz FCCCNRWMDBLUSE-CHWSQXEVSA-N 0 3 324.421 1.296 20 10 DDCDHN O=C1N(CC[NH2+]Cc2cc(F)ccc2[O-])C[C@H]2CCCCN12 ZINC000895340744 711489151 /nfs/dbraw/zinc/48/91/51/711489151.db2.gz BNKQNIUTEPKPFI-CQSZACIVSA-N 0 3 307.369 1.911 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)c([O-])c1 ZINC000895773778 711603160 /nfs/dbraw/zinc/60/31/60/711603160.db2.gz SQWFVBDTVBQWFZ-OAHLLOKOSA-N 0 3 320.389 1.176 20 10 DDCDHN CS(=O)(=O)N1CCC[C@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000921611737 713821439 /nfs/dbraw/zinc/82/14/39/713821439.db2.gz IEAVUFSFHLFHLM-HNNXBMFYSA-N 0 3 324.446 1.525 20 10 DDCDHN Cc1cc(CN[C@H]2C(=O)NCC23CCOCC3)ccc1N(C)C ZINC000925433054 714856083 /nfs/dbraw/zinc/85/60/83/714856083.db2.gz BGTLJRRREIQVDA-INIZCTEOSA-N 0 3 317.433 1.446 20 10 DDCDHN COC1(OC)CC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000926723913 715118655 /nfs/dbraw/zinc/11/86/55/715118655.db2.gz GNXALCLMFBATQA-QGZVFWFLSA-N 0 3 320.433 1.889 20 10 DDCDHN C[NH+](C)Cc1cccc(CNC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148589961 773541506 /nfs/dbraw/zinc/54/15/06/773541506.db2.gz SDSHLQYBPUSUKG-UHFFFAOYSA-N 0 3 316.357 1.795 20 10 DDCDHN C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001148590770 773542267 /nfs/dbraw/zinc/54/22/67/773542267.db2.gz OZXMNLMIXJRIAJ-CNDDSTCGSA-N 0 3 306.362 1.549 20 10 DDCDHN C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001148590770 773542269 /nfs/dbraw/zinc/54/22/69/773542269.db2.gz OZXMNLMIXJRIAJ-CNDDSTCGSA-N 0 3 306.362 1.549 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CN(C)C(=O)O1 ZINC001117742199 780892793 /nfs/dbraw/zinc/89/27/93/780892793.db2.gz PFGQCTPILNVSJQ-MRXNPFEDSA-N 0 3 319.405 1.406 20 10 DDCDHN C[NH+](C)C[C@H]1COCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232262775 845929828 /nfs/dbraw/zinc/92/98/28/845929828.db2.gz PJAHWYKDLIZEJL-NSHDSACASA-N 0 3 300.786 1.514 20 10 DDCDHN CC(C)CN1C[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272618028 846415209 /nfs/dbraw/zinc/41/52/09/846415209.db2.gz AEYWPVVDMHKMKA-SFHVURJKSA-N 0 3 318.417 1.852 20 10 DDCDHN CC(C)CN1C[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272618028 846415212 /nfs/dbraw/zinc/41/52/12/846415212.db2.gz AEYWPVVDMHKMKA-SFHVURJKSA-N 0 3 318.417 1.852 20 10 DDCDHN O=C1N(C2COC2)CC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618773 846417086 /nfs/dbraw/zinc/41/70/86/846417086.db2.gz OISMXQBFBBBADQ-KRWDZBQOSA-N 0 3 302.374 1.215 20 10 DDCDHN O=C1N(C2COC2)CC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618773 846417090 /nfs/dbraw/zinc/41/70/90/846417090.db2.gz OISMXQBFBBBADQ-KRWDZBQOSA-N 0 3 302.374 1.215 20 10 DDCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001275266980 852940494 /nfs/dbraw/zinc/94/04/94/852940494.db2.gz HPECWGKKRVKWJW-WMZOPIPTSA-N 0 3 313.401 1.806 20 10 DDCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001275266980 852940498 /nfs/dbraw/zinc/94/04/98/852940498.db2.gz HPECWGKKRVKWJW-WMZOPIPTSA-N 0 3 313.401 1.806 20 10 DDCDHN OC1CCN(c2ccc(CN3CC(N4CCCC4)C3)cc2)CC1 ZINC001140285580 860612477 /nfs/dbraw/zinc/61/24/77/860612477.db2.gz APJYOIWJEIADMN-UHFFFAOYSA-N 0 3 315.461 1.928 20 10 DDCDHN CCN1CCN(c2ccc(CN3CC[C@](F)(CO)C3)cc2)CC1 ZINC001140302202 860615059 /nfs/dbraw/zinc/61/50/59/860615059.db2.gz MWNLTBJMDDFFBR-GOSISDBHSA-N 0 3 321.440 1.735 20 10 DDCDHN CCN1CCN(c2ccc(CN3CC[C@@H](O)[C@H](F)C3)cc2)CC1 ZINC001140302327 860615309 /nfs/dbraw/zinc/61/53/09/860615309.db2.gz NXRXJLYCFIPJCL-QZTJIDSGSA-N 0 3 321.440 1.733 20 10 DDCDHN CCS(=O)(=O)C[C@@H](C)NCc1ccc(OC)c(OC)c1O ZINC001333723928 866962455 /nfs/dbraw/zinc/96/24/55/866962455.db2.gz PDSFRGJDTWLNBY-SNVBAGLBSA-N 0 3 317.407 1.322 20 10 DDCDHN COC(=O)N1CCCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC001324408916 867263707 /nfs/dbraw/zinc/26/37/07/867263707.db2.gz MDNPVMCEGVHOSI-UHFFFAOYSA-N 0 3 308.378 1.983 20 10 DDCDHN Cc1ccc(C)n1-c1ccc(N(C)S(=O)(=O)CCN)cc1 ZINC001164296181 869096929 /nfs/dbraw/zinc/09/69/29/869096929.db2.gz BDUKTPTXCIKAGE-UHFFFAOYSA-N 0 3 307.419 1.819 20 10 DDCDHN O=C(N[C@@H]1CCCN(Cc2ccc(O)cc2O)C1)C1CCC1 ZINC001204277364 871038050 /nfs/dbraw/zinc/03/80/50/871038050.db2.gz BKNTXXUWBHVVHR-CQSZACIVSA-N 0 3 304.390 1.979 20 10 DDCDHN [NH3+]C[C@@]1(O)CCCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001205726526 871752180 /nfs/dbraw/zinc/75/21/80/871752180.db2.gz UEZXCZKCJCUEIF-AWEZNQCLSA-N 0 3 302.777 1.860 20 10 DDCDHN Cc1cc(Br)c([O-])c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206480544 872366797 /nfs/dbraw/zinc/36/67/97/872366797.db2.gz BFRSENSSOORJPI-CMPLNLGQSA-N 0 3 315.211 1.215 20 10 DDCDHN COC(=O)c1cn([C@H]2CCN(Cc3ccc(N)cc3)C2)nn1 ZINC001356083172 878860317 /nfs/dbraw/zinc/86/03/17/878860317.db2.gz LSLPSIIKUYZHOT-ZDUSSCGKSA-N 0 3 301.350 1.094 20 10 DDCDHN COc1cc(CN2CCC(NC(=O)C3CC3)CC2)c(O)cc1O ZINC001231636060 885772098 /nfs/dbraw/zinc/77/20/98/885772098.db2.gz PTNKMMOXXMLTQQ-UHFFFAOYSA-N 0 3 320.389 1.597 20 10 DDCDHN CCOC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2O)CCS1 ZINC001232840797 886626163 /nfs/dbraw/zinc/62/61/63/886626163.db2.gz JEIPAMQIUHNHIU-OAHLLOKOSA-N 0 3 324.446 1.939 20 10 DDCDHN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC001233452068 887002341 /nfs/dbraw/zinc/00/23/41/887002341.db2.gz JHRUFLLNMMEEFN-ZDUSSCGKSA-N 0 3 316.323 1.927 20 10 DDCDHN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001233452068 887002349 /nfs/dbraw/zinc/00/23/49/887002349.db2.gz JHRUFLLNMMEEFN-ZDUSSCGKSA-N 0 3 316.323 1.927 20 10 DDCDHN COc1cc(O)c(CN2CC3(C2)CCN(C)C3=O)cc1OC ZINC001236755695 889335501 /nfs/dbraw/zinc/33/55/01/889335501.db2.gz GTKCZTKQMKSBHB-UHFFFAOYSA-N 0 3 306.362 1.074 20 10 DDCDHN COc1cc(C)c(C[NH+]2CCC3(CCC(=O)N3)CC2)c([O-])c1 ZINC001236816803 889371300 /nfs/dbraw/zinc/37/13/00/889371300.db2.gz XLYBOALFHUVKQB-UHFFFAOYSA-N 0 3 304.390 1.954 20 10 DDCDHN O=C(NCC1COC1)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278255246 890286374 /nfs/dbraw/zinc/28/63/74/890286374.db2.gz QJGOIAKWLGZFRN-CXAGYDPISA-N 0 3 320.364 1.116 20 10 DDCDHN O=C(NCC1COC1)[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278255246 890286388 /nfs/dbraw/zinc/28/63/88/890286388.db2.gz QJGOIAKWLGZFRN-CXAGYDPISA-N 0 3 320.364 1.116 20 10 DDCDHN Cc1ccc(C)c(CN2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)c1O ZINC001278355689 891557532 /nfs/dbraw/zinc/55/75/32/891557532.db2.gz VSTPPRSMUOFTHA-MXYBEHONSA-N 0 3 304.390 1.208 20 10 DDCDHN COC(=O)Cc1ccc(CN2CCOC[C@H]2C2CC2)c(O)c1 ZINC001249214508 893871471 /nfs/dbraw/zinc/87/14/71/893871471.db2.gz MUGOJJITQFYLQS-HNNXBMFYSA-N 0 3 305.374 1.719 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@H](CO)[C@@H](O)C3)ccc2O1 ZINC001249223467 893879193 /nfs/dbraw/zinc/87/91/93/893879193.db2.gz HJUURGBGAHKXDP-HIFRSBDPSA-N 0 3 319.401 1.752 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@H](CO)[C@@H](O)C3)ccc2O1 ZINC001249223467 893879210 /nfs/dbraw/zinc/87/92/10/893879210.db2.gz HJUURGBGAHKXDP-HIFRSBDPSA-N 0 3 319.401 1.752 20 10 DDCDHN Oc1ccc(CNC[C@@H](O)COc2ccc(F)cc2)cc1O ZINC001251945976 894903078 /nfs/dbraw/zinc/90/30/78/894903078.db2.gz KFUWMOJXZPYFEV-CYBMUJFWSA-N 0 3 307.321 1.766 20 10 DDCDHN [O-]c1cc(O)ccc1C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC001252300884 895070534 /nfs/dbraw/zinc/07/05/34/895070534.db2.gz NURJCTARAXBYRU-MRXNPFEDSA-N 0 3 303.358 1.765 20 10 DDCDHN CCOC(=O)CN1CCC([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC001254395539 896417031 /nfs/dbraw/zinc/41/70/31/896417031.db2.gz PRDQWOKAHJAQBO-UHFFFAOYSA-N 0 3 308.378 1.215 20 10 DDCDHN CN(C)CCOc1cc(C(=O)NCc2ccccc2O)ccn1 ZINC000272677548 130052548 /nfs/dbraw/zinc/05/25/48/130052548.db2.gz MGXJXJOBMFWFAA-UHFFFAOYSA-N 0 3 315.373 1.658 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)c([O-])c1 ZINC000273361796 130111620 /nfs/dbraw/zinc/11/16/20/130111620.db2.gz ANHPEEPJKHMFJR-ZFWWWQNUSA-N 0 3 305.422 1.691 20 10 DDCDHN COc1cc(O)c(CN2CCN(C[C@H](C)O)C[C@H]2C)cc1OC ZINC000284462609 131082272 /nfs/dbraw/zinc/08/22/72/131082272.db2.gz VEGSUHJCIMNFJM-OLZOCXBDSA-N 0 3 324.421 1.296 20 10 DDCDHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)CN1CCN(C)CC1 ZINC000297540321 132021704 /nfs/dbraw/zinc/02/17/04/132021704.db2.gz FANFBFHZJCCQBE-GDBMZVCRSA-N 0 3 303.450 1.853 20 10 DDCDHN Cc1cc([O-])c(C[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1C ZINC000093583376 407198571 /nfs/dbraw/zinc/19/85/71/407198571.db2.gz XLYJYUDSEWGHGP-MRXNPFEDSA-N 0 3 308.422 1.134 20 10 DDCDHN Cc1cc([O-])c(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)cc1C ZINC000093583376 407198574 /nfs/dbraw/zinc/19/85/74/407198574.db2.gz XLYJYUDSEWGHGP-MRXNPFEDSA-N 0 3 308.422 1.134 20 10 DDCDHN CCC[N@H+](CCC(=O)NCC(=O)OC)Cc1ccccc1[O-] ZINC000109836021 407398442 /nfs/dbraw/zinc/39/84/42/407398442.db2.gz NZNOLNQHDKASRX-UHFFFAOYSA-N 0 3 308.378 1.284 20 10 DDCDHN CCC[N@@H+](CCC(=O)NCC(=O)OC)Cc1ccccc1[O-] ZINC000109836021 407398444 /nfs/dbraw/zinc/39/84/44/407398444.db2.gz NZNOLNQHDKASRX-UHFFFAOYSA-N 0 3 308.378 1.284 20 10 DDCDHN CN(C)c1ccc(CNC[C@H]2CN(C3CC3)CCO2)cc1F ZINC000113338949 407495873 /nfs/dbraw/zinc/49/58/73/407495873.db2.gz ADRSAMLNXZSCQO-HNNXBMFYSA-N 0 3 307.413 1.845 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+][C@]2(CO)CCOC2)c1[O-] ZINC000184180754 408564217 /nfs/dbraw/zinc/56/42/17/408564217.db2.gz SENCQTVJFXHSON-ZDUSSCGKSA-N 0 3 316.195 1.704 20 10 DDCDHN CN(C)c1ccc(CNC(=O)[C@H](N)C2CCOCC2)cc1F ZINC000282209505 409011358 /nfs/dbraw/zinc/01/13/58/409011358.db2.gz AEWSGBXWFOIMNI-OAHLLOKOSA-N 0 3 309.385 1.262 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000295035181 409308927 /nfs/dbraw/zinc/30/89/27/409308927.db2.gz DMKQDNDJCSWVFM-OAHLLOKOSA-N 0 3 308.422 1.727 20 10 DDCDHN CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296967211 409733567 /nfs/dbraw/zinc/73/35/67/409733567.db2.gz RKUSWLADNABWGI-OLZOCXBDSA-N 0 3 310.419 1.393 20 10 DDCDHN C[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1CO ZINC000298649033 410329602 /nfs/dbraw/zinc/32/96/02/410329602.db2.gz XHLIHQXJDCDBTR-XJKSGUPXSA-N 0 3 305.422 1.072 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000296481797 418587021 /nfs/dbraw/zinc/58/70/21/418587021.db2.gz OHHFNIGBFOPEQQ-QWHCGFSZSA-N 0 3 314.451 1.987 20 10 DDCDHN Cc1cccc(CN[C@H]2CCN(c3ccn(C)n3)C2=O)c1O ZINC000362034687 418742843 /nfs/dbraw/zinc/74/28/43/418742843.db2.gz YOVAMOMJXIZORO-ZDUSSCGKSA-N 0 3 300.362 1.329 20 10 DDCDHN Oc1cc2c(cc1CN1CCN([C@@H]3CCC[C@@H]3O)CC1)OCO2 ZINC000371328007 418779926 /nfs/dbraw/zinc/77/99/26/418779926.db2.gz QYKPMPNBPKVOLW-KGLIPLIRSA-N 0 3 320.389 1.152 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1OC ZINC000378450744 418723380 /nfs/dbraw/zinc/72/33/80/418723380.db2.gz CWRCWJFIMSDAQR-GUYCJALGSA-N 0 3 323.389 1.837 20 10 DDCDHN CC(C)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)CC1 ZINC000361901374 418723735 /nfs/dbraw/zinc/72/37/35/418723735.db2.gz UUCIIFGPANYLTF-QGZVFWFLSA-N 0 3 303.450 1.993 20 10 DDCDHN CC(C)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)CC1 ZINC000361901374 418723736 /nfs/dbraw/zinc/72/37/36/418723736.db2.gz UUCIIFGPANYLTF-QGZVFWFLSA-N 0 3 303.450 1.993 20 10 DDCDHN COc1ccc(O)c([C@H](C)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000372598926 418886100 /nfs/dbraw/zinc/88/61/00/418886100.db2.gz FCQFIPYIPUQLJF-OWQGQXMQSA-N 0 3 320.433 1.993 20 10 DDCDHN COc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1[O-] ZINC000364654734 278011347 /nfs/dbraw/zinc/01/13/47/278011347.db2.gz OYSXMGSZTVEMSD-KRWDZBQOSA-N 0 3 304.390 1.845 20 10 DDCDHN COc1cccc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1[O-] ZINC000364654734 278011349 /nfs/dbraw/zinc/01/13/49/278011349.db2.gz OYSXMGSZTVEMSD-KRWDZBQOSA-N 0 3 304.390 1.845 20 10 DDCDHN CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179983442 519768740 /nfs/dbraw/zinc/76/87/40/519768740.db2.gz HDQHTSJVENVYKM-OAHLLOKOSA-N 0 3 315.385 1.766 20 10 DDCDHN CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179983442 519768741 /nfs/dbraw/zinc/76/87/41/519768741.db2.gz HDQHTSJVENVYKM-OAHLLOKOSA-N 0 3 315.385 1.766 20 10 DDCDHN CC[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccccc1[O-] ZINC000156662088 522836997 /nfs/dbraw/zinc/83/69/97/522836997.db2.gz JZWHNQYOPNZDFD-CYBMUJFWSA-N 0 3 301.408 1.494 20 10 DDCDHN COc1ccc(O)c(CN2CCN(CC(C)(C)O)[C@H](C)C2)c1 ZINC000188888264 524743060 /nfs/dbraw/zinc/74/30/60/524743060.db2.gz COHQQSBWIBCGEX-CYBMUJFWSA-N 0 3 308.422 1.678 20 10 DDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)Cc1cnccn1 ZINC000775663833 698020526 /nfs/dbraw/zinc/02/05/26/698020526.db2.gz DSJWOOWMNJDQGK-UHFFFAOYSA-N 0 3 311.433 1.860 20 10 DDCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1O ZINC000779200267 698401527 /nfs/dbraw/zinc/40/15/27/698401527.db2.gz YSEKYRJGVGWMBY-DYVFJYSZSA-N 0 3 308.397 1.865 20 10 DDCDHN COc1ccc(C[NH2+]C2CCN(c3cnccn3)CC2)c([O-])c1 ZINC000793391554 699753682 /nfs/dbraw/zinc/75/36/82/699753682.db2.gz ZDPAMFTWHBAOBO-UHFFFAOYSA-N 0 3 314.389 1.949 20 10 DDCDHN CC[C@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1ccc(C)cc1[O-] ZINC000793567447 699765530 /nfs/dbraw/zinc/76/55/30/699765530.db2.gz LVMJTWHQNQFZIX-ZDUSSCGKSA-N 0 3 318.377 1.820 20 10 DDCDHN CN1CCN(c2ccc(CN3CCOCC34CC4)cc2)CC1 ZINC000802658719 700415830 /nfs/dbraw/zinc/41/58/30/700415830.db2.gz POWOBWRZGMNVNB-UHFFFAOYSA-N 0 3 301.434 1.803 20 10 DDCDHN CN(C)C[C@@H]1CN(C(=O)/C=C\c2cnccn2)c2ccccc2O1 ZINC000760816369 700824522 /nfs/dbraw/zinc/82/45/22/700824522.db2.gz CTBKEUUFXPXGGI-ZPIQOJFGSA-N 0 3 324.384 1.846 20 10 DDCDHN C[C@@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000816897778 702212313 /nfs/dbraw/zinc/21/23/13/702212313.db2.gz MEECDPZOXOKJAR-OAHLLOKOSA-N 0 3 317.433 1.481 20 10 DDCDHN CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000866457503 706703211 /nfs/dbraw/zinc/70/32/11/706703211.db2.gz PBHSCDYKEHODKZ-GXSJLCMTSA-N 0 3 316.398 1.609 20 10 DDCDHN COCCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652183 706750122 /nfs/dbraw/zinc/75/01/22/706750122.db2.gz WSLJVMLLKLYQKE-LBPRGKRZSA-N 0 3 301.408 1.494 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC000848243847 703531392 /nfs/dbraw/zinc/53/13/92/703531392.db2.gz RPEOAUTVDSDUBD-HNNXBMFYSA-N 0 3 319.449 1.932 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000855229075 704474224 /nfs/dbraw/zinc/47/42/24/704474224.db2.gz HKUCNSXYMSVMQK-RHSMWYFYSA-N 0 3 319.449 1.976 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 ZINC000860129750 705109236 /nfs/dbraw/zinc/10/92/36/705109236.db2.gz ZPNFWNVJBXIWPL-YXJHDRRASA-N 0 3 317.433 1.214 20 10 DDCDHN CCOC(=O)[C@H]1C[N@H+](Cc2c([O-])cccc2OC)CC12COC2 ZINC000824490149 705463629 /nfs/dbraw/zinc/46/36/29/705463629.db2.gz XZCNFMZYBRTSLO-CYBMUJFWSA-N 0 3 321.373 1.412 20 10 DDCDHN CCOC(=O)[C@H]1C[N@@H+](Cc2c([O-])cccc2OC)CC12COC2 ZINC000824490149 705463630 /nfs/dbraw/zinc/46/36/30/705463630.db2.gz XZCNFMZYBRTSLO-CYBMUJFWSA-N 0 3 321.373 1.412 20 10 DDCDHN COc1ccc(N2CCCN(C[C@](C)(O)C(C)=O)CC2)cc1 ZINC000827468486 706008288 /nfs/dbraw/zinc/00/82/88/706008288.db2.gz SQVAPKJHQINSHG-KRWDZBQOSA-N 0 3 306.406 1.547 20 10 DDCDHN COC(=O)[C@@]1(C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@@H]1C ZINC000872635434 707524811 /nfs/dbraw/zinc/52/48/11/707524811.db2.gz QGVLOSMYJHFAIW-IXBGWNDUSA-N 0 3 321.373 1.449 20 10 DDCDHN COC(=O)[C@@]1(C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@@H]1C ZINC000872635434 707524815 /nfs/dbraw/zinc/52/48/15/707524815.db2.gz QGVLOSMYJHFAIW-IXBGWNDUSA-N 0 3 321.373 1.449 20 10 DDCDHN COC(=O)[C@@]1(C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@@H]1C ZINC000872635437 707525129 /nfs/dbraw/zinc/52/51/29/707525129.db2.gz QGVLOSMYJHFAIW-NCHVAJSOSA-N 0 3 321.373 1.449 20 10 DDCDHN COC(=O)[C@@]1(C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@@H]1C ZINC000872635437 707525131 /nfs/dbraw/zinc/52/51/31/707525131.db2.gz QGVLOSMYJHFAIW-NCHVAJSOSA-N 0 3 321.373 1.449 20 10 DDCDHN CCOc1ccc(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c([O-])c1 ZINC000883403614 707992074 /nfs/dbraw/zinc/99/20/74/707992074.db2.gz YOCMULSQASHAGV-AWEZNQCLSA-N 0 3 304.390 1.891 20 10 DDCDHN COc1ccc(O)c(C[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000898156538 708559932 /nfs/dbraw/zinc/55/99/32/708559932.db2.gz XEKTZONJVPKNLH-LBPRGKRZSA-N 0 3 316.361 1.265 20 10 DDCDHN CCOC(=O)N1C[C@@H](CO)[C@@H](NCc2ccc(OC)c(C)c2)C1 ZINC000898359142 708621593 /nfs/dbraw/zinc/62/15/93/708621593.db2.gz LXKDBGJDPDKRSI-GJZGRUSLSA-N 0 3 322.405 1.542 20 10 DDCDHN CN(C)CCn1nccc1C(=O)N(C)Cc1ccccc1O ZINC000901051846 709901765 /nfs/dbraw/zinc/90/17/65/709901765.db2.gz FPGCGPGONLNDJP-UHFFFAOYSA-N 0 3 302.378 1.423 20 10 DDCDHN CC[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC ZINC000901707450 710127784 /nfs/dbraw/zinc/12/77/84/710127784.db2.gz XCFYGNHJMLMBNE-HOTGVXAUSA-N 0 3 307.438 1.897 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ncc[nH]2)N(C)C)cc1 ZINC000891246692 710140584 /nfs/dbraw/zinc/14/05/84/710140584.db2.gz FCJNJLKBVYDXEG-OAHLLOKOSA-N 0 3 315.421 1.437 20 10 DDCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H]2CO)c1[O-] ZINC000902629975 710827132 /nfs/dbraw/zinc/82/71/32/710827132.db2.gz LNDAPVAJIXIEQW-LBPRGKRZSA-N 0 3 301.342 1.899 20 10 DDCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H]2CO)c1[O-] ZINC000902629975 710827134 /nfs/dbraw/zinc/82/71/34/710827134.db2.gz LNDAPVAJIXIEQW-LBPRGKRZSA-N 0 3 301.342 1.899 20 10 DDCDHN COC(=O)[C@H]1C[C@H](O)CN(Cc2cc(C)cc(OC)c2O)C1 ZINC000895087307 711403609 /nfs/dbraw/zinc/40/36/09/711403609.db2.gz CCHTVCJQDCLNMG-STQMWFEESA-N 0 3 309.362 1.065 20 10 DDCDHN COc1cc(C)cc(CN2CCN(Cc3nc[nH]n3)CC2)c1O ZINC000895493747 711526600 /nfs/dbraw/zinc/52/66/00/711526600.db2.gz QNZXWHATAMZIAN-UHFFFAOYSA-N 0 3 317.393 1.145 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000922737443 714132179 /nfs/dbraw/zinc/13/21/79/714132179.db2.gz LDQYWXAZLAHUQX-UHFFFAOYSA-N 0 3 301.408 1.561 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]([NH2+]CCO)C2)c1[O-] ZINC000923404597 714344439 /nfs/dbraw/zinc/34/44/39/714344439.db2.gz YXWAYGGCBYZZIV-AWEZNQCLSA-N 0 3 310.369 1.280 20 10 DDCDHN CCc1ccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c([O-])c1 ZINC001274656367 852487002 /nfs/dbraw/zinc/48/70/02/852487002.db2.gz PBKDJKMSAKZNAJ-GOSISDBHSA-N 0 3 316.401 1.926 20 10 DDCDHN CCc1ccc(C[N@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c([O-])c1 ZINC001274656367 852487006 /nfs/dbraw/zinc/48/70/06/852487006.db2.gz PBKDJKMSAKZNAJ-GOSISDBHSA-N 0 3 316.401 1.926 20 10 DDCDHN COCCOCN1CCC2(CN(Cc3ccc(O)cc3O)C2)C1 ZINC001275952756 854007224 /nfs/dbraw/zinc/00/72/24/854007224.db2.gz MGARONJPHAERAP-UHFFFAOYSA-N 0 3 322.405 1.226 20 10 DDCDHN CCOC(=O)[C@H]1CNCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC001326198405 861183726 /nfs/dbraw/zinc/18/37/26/861183726.db2.gz CSHLJRYUHZFUPK-KEGWNNHHSA-N 0 3 317.433 1.603 20 10 DDCDHN CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]2C1 ZINC001203551788 870635856 /nfs/dbraw/zinc/63/58/56/870635856.db2.gz OCXCDARNMYPYKY-NVXWUHKLSA-N 0 3 304.390 1.461 20 10 DDCDHN CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]2C1 ZINC001203551788 870635872 /nfs/dbraw/zinc/63/58/72/870635872.db2.gz OCXCDARNMYPYKY-NVXWUHKLSA-N 0 3 304.390 1.461 20 10 DDCDHN Oc1ccc(CN2CCC(Oc3cnccn3)CC2)c(O)c1 ZINC001204281861 871038496 /nfs/dbraw/zinc/03/84/96/871038496.db2.gz XXYHEZFVADUOPK-UHFFFAOYSA-N 0 3 301.346 1.931 20 10 DDCDHN CN1CCN(c2ccc(CN3CC[C@H]4OCC[C@H]43)c(F)c2)CC1 ZINC001236936557 889433005 /nfs/dbraw/zinc/43/30/05/889433005.db2.gz SERCNLPNOFJKTE-QZTJIDSGSA-N 0 3 319.424 1.941 20 10 DDCDHN CCN(Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC1 ZINC001237201959 889543544 /nfs/dbraw/zinc/54/35/44/889543544.db2.gz DDUFVNVXXPQLJZ-UHFFFAOYSA-N 0 3 308.447 1.906 20 10 DDCDHN COC(=O)[C@@H]1CCCN(Cc2cc(OC)cc(OC)c2O)C1 ZINC001237674590 889796057 /nfs/dbraw/zinc/79/60/57/889796057.db2.gz JPBIRQZBQMCSPO-LLVKDONJSA-N 0 3 309.362 1.794 20 10 DDCDHN CN1CCN(c2ccc(CN3C[C@@H]4C[C@]4(CO)C3)cc2F)CC1 ZINC001255473937 896947683 /nfs/dbraw/zinc/94/76/83/896947683.db2.gz NDUOUCSWLQNBPR-MAUKXSAKSA-N 0 3 319.424 1.392 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](C)[C@H](C)C1)cc2=O ZINC000072873419 353223483 /nfs/dbraw/zinc/22/34/83/353223483.db2.gz PYMLPUKLKMTQHR-PHIMTYICSA-N 0 3 318.377 1.699 20 10 DDCDHN CN(C)c1ccc(CN2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000092188231 353845490 /nfs/dbraw/zinc/84/54/90/353845490.db2.gz OFZSFUKLKPABIP-MRXNPFEDSA-N 0 3 302.422 1.742 20 10 DDCDHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000186029933 407566180 /nfs/dbraw/zinc/56/61/80/407566180.db2.gz RJVAEHNCTPCHQZ-MNOVXSKESA-N 0 3 301.408 1.875 20 10 DDCDHN O=S1(=O)CCC[C@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000110068392 407398118 /nfs/dbraw/zinc/39/81/18/407398118.db2.gz YCLNMZVNLFDMDD-HNNXBMFYSA-N 0 3 324.446 1.190 20 10 DDCDHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000129742516 407627695 /nfs/dbraw/zinc/62/76/95/407627695.db2.gz RFRPCFPGWSHSAG-WBMJQRKESA-N 0 3 323.412 1.652 20 10 DDCDHN COCCN(C)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000171213433 407630029 /nfs/dbraw/zinc/63/00/29/407630029.db2.gz FIYDYZKUWGOJOI-UHFFFAOYSA-N 0 3 322.453 1.472 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000271782034 407730778 /nfs/dbraw/zinc/73/07/78/407730778.db2.gz DXXBKLAIGGTPIN-QAPCUYQASA-N 0 3 317.385 1.975 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]1C)cc2=O ZINC000173990495 407908069 /nfs/dbraw/zinc/90/80/69/407908069.db2.gz XXADTMMQYRXWFC-SNVBAGLBSA-N 0 3 304.350 1.596 20 10 DDCDHN C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccccc1[O-] ZINC000119530075 408091233 /nfs/dbraw/zinc/09/12/33/408091233.db2.gz JUOVSUDTLJAQJV-UHFFFAOYSA-N 0 3 317.389 1.689 20 10 DDCDHN C[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccccc1[O-] ZINC000119530075 408091240 /nfs/dbraw/zinc/09/12/40/408091240.db2.gz JUOVSUDTLJAQJV-UHFFFAOYSA-N 0 3 317.389 1.689 20 10 DDCDHN CN(CC[C@@H]1CCOC1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000120057994 408118241 /nfs/dbraw/zinc/11/82/41/408118241.db2.gz GZSCPYULGJYEMJ-MRXNPFEDSA-N 0 3 318.417 1.908 20 10 DDCDHN CCCCN(CC(=O)N1CCNC1=O)Cc1ccccc1O ZINC000282386258 409044653 /nfs/dbraw/zinc/04/46/53/409044653.db2.gz GLOFNSHCNJUKFE-UHFFFAOYSA-N 0 3 305.378 1.546 20 10 DDCDHN COC[C@H](O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000282927161 409070735 /nfs/dbraw/zinc/07/07/35/409070735.db2.gz FPOHLCHRBVSQFS-LLVKDONJSA-N 0 3 304.184 1.560 20 10 DDCDHN Oc1cc2c(cc1CN1CCC3(CC1)OCCCO3)OCO2 ZINC000293731179 409170090 /nfs/dbraw/zinc/17/00/90/409170090.db2.gz UTZPNEXIUVECQB-UHFFFAOYSA-N 0 3 307.346 1.850 20 10 DDCDHN C[NH+]1CCC([C@@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)CC1 ZINC000279684491 409246986 /nfs/dbraw/zinc/24/69/86/409246986.db2.gz ATEGPLXNBPPQRP-CYBMUJFWSA-N 0 3 304.390 1.902 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(N)CCC1 ZINC000297044489 409773252 /nfs/dbraw/zinc/77/32/52/409773252.db2.gz YEEQAQPXHUQAQA-UHFFFAOYSA-N 0 3 303.406 1.363 20 10 DDCDHN CCN1CCC[C@@H](NC(=O)NCc2ccc3c(c2)CCN3C)C1 ZINC000373596100 418443444 /nfs/dbraw/zinc/44/34/44/418443444.db2.gz KLSANQJTLZYVOB-MRXNPFEDSA-N 0 3 316.449 1.962 20 10 DDCDHN COc1cccc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1[O-] ZINC000367656573 418619788 /nfs/dbraw/zinc/61/97/88/418619788.db2.gz DDNWQYMBPLJQSR-GFCCVEGCSA-N 0 3 314.389 2.153 20 10 DDCDHN COc1cccc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1[O-] ZINC000367656573 418619791 /nfs/dbraw/zinc/61/97/91/418619791.db2.gz DDNWQYMBPLJQSR-GFCCVEGCSA-N 0 3 314.389 2.153 20 10 DDCDHN CN1CCN(C[C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)CC1 ZINC000377629363 418712494 /nfs/dbraw/zinc/71/24/94/418712494.db2.gz RIJBTEYMNGTCIC-OAHLLOKOSA-N 0 3 321.440 1.991 20 10 DDCDHN CN1CCN(C[C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)CC1 ZINC000377629363 418712496 /nfs/dbraw/zinc/71/24/96/418712496.db2.gz RIJBTEYMNGTCIC-OAHLLOKOSA-N 0 3 321.440 1.991 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CC[C@@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000370526784 418745030 /nfs/dbraw/zinc/74/50/30/418745030.db2.gz GBDAUMSDUAEBJX-SMDDNHRTSA-N 0 3 321.377 1.835 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CC[C@@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000370526784 418745031 /nfs/dbraw/zinc/74/50/31/418745031.db2.gz GBDAUMSDUAEBJX-SMDDNHRTSA-N 0 3 321.377 1.835 20 10 DDCDHN CN1CCC[C@@H](N2CCN(C(=O)Cc3ccc(N)cc3)CC2)C1 ZINC000372099334 418836586 /nfs/dbraw/zinc/83/65/86/418836586.db2.gz TUEJCGCKFMGPCT-QGZVFWFLSA-N 0 3 316.449 1.050 20 10 DDCDHN CC(=O)N1CCN(CC[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000295839137 275461108 /nfs/dbraw/zinc/46/11/08/275461108.db2.gz FMRSSSYZSLJZBN-HNNXBMFYSA-N 0 3 303.406 1.133 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000182324678 524769140 /nfs/dbraw/zinc/76/91/40/524769140.db2.gz WYKXYNRDGBNCID-JTQLQIEISA-N 0 3 306.322 1.856 20 10 DDCDHN CN(CCNC(=O)c1cccc(O)c1O)Cc1ccccc1 ZINC000187004517 697540405 /nfs/dbraw/zinc/54/04/05/697540405.db2.gz CEIOXDJHFRYOCY-UHFFFAOYSA-N 0 3 300.358 1.960 20 10 DDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NCC ZINC000772798440 697680207 /nfs/dbraw/zinc/68/02/07/697680207.db2.gz RGIFPCURGUIECW-GFCCVEGCSA-N 0 3 307.394 1.838 20 10 DDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NCC ZINC000772798440 697680208 /nfs/dbraw/zinc/68/02/08/697680208.db2.gz RGIFPCURGUIECW-GFCCVEGCSA-N 0 3 307.394 1.838 20 10 DDCDHN C[C@@H](NC(=O)NC[C@@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000776236616 698085961 /nfs/dbraw/zinc/08/59/61/698085961.db2.gz ABUZVVFXVJAHBI-DYVFJYSZSA-N 0 3 320.437 1.179 20 10 DDCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)NCCF ZINC000800292006 700213254 /nfs/dbraw/zinc/21/32/54/700213254.db2.gz IXCQFXXVADFRTM-ZDUSSCGKSA-N 0 3 309.385 1.087 20 10 DDCDHN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000779505588 698428532 /nfs/dbraw/zinc/42/85/32/698428532.db2.gz IVIFSLNHPCCFPM-PSVOHZHUSA-N 0 3 318.373 1.090 20 10 DDCDHN COCCO[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000780491025 698524485 /nfs/dbraw/zinc/52/44/85/698524485.db2.gz DMEQTJVHBKBAAO-IUODEOHRSA-N 0 3 309.362 1.055 20 10 DDCDHN COCCO[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000780491025 698524487 /nfs/dbraw/zinc/52/44/87/698524487.db2.gz DMEQTJVHBKBAAO-IUODEOHRSA-N 0 3 309.362 1.055 20 10 DDCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)N1CCCC1 ZINC000378950269 699057309 /nfs/dbraw/zinc/05/73/09/699057309.db2.gz OTTSAZMKOXHICK-HNNXBMFYSA-N 0 3 317.433 1.624 20 10 DDCDHN CN(C)c1ccc(CNC(=O)N2CCN3CCC2CC3)cc1 ZINC000786864855 699175332 /nfs/dbraw/zinc/17/53/32/699175332.db2.gz GATJADNJKUQGIM-UHFFFAOYSA-N 0 3 302.422 1.742 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](C3OCCO3)C1)[C@@H](O)CO2 ZINC000768445322 701177213 /nfs/dbraw/zinc/17/72/13/701177213.db2.gz HIOKIMZEHXUDTG-NHYWBVRUSA-N 0 3 321.373 1.403 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](C3OCCO3)C1)[C@@H](O)CO2 ZINC000768445322 701177214 /nfs/dbraw/zinc/17/72/14/701177214.db2.gz HIOKIMZEHXUDTG-NHYWBVRUSA-N 0 3 321.373 1.403 20 10 DDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(C3OCCO3)CC1)[C@H](O)CO2 ZINC000768448144 701178043 /nfs/dbraw/zinc/17/80/43/701178043.db2.gz SIPUCAVFKBJTGN-OAHLLOKOSA-N 0 3 321.373 1.403 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c([O-])c1 ZINC000768931962 701216798 /nfs/dbraw/zinc/21/67/98/701216798.db2.gz XMZWFJBQDRMVBZ-AWEZNQCLSA-N 0 3 319.405 1.781 20 10 DDCDHN CCOc1ccc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c([O-])c1 ZINC000768931962 701216800 /nfs/dbraw/zinc/21/68/00/701216800.db2.gz XMZWFJBQDRMVBZ-AWEZNQCLSA-N 0 3 319.405 1.781 20 10 DDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2C(=O)CNC2=O)c1[O-] ZINC000808715102 701532695 /nfs/dbraw/zinc/53/26/95/701532695.db2.gz RUEBENCVSFNSKX-VIFPVBQESA-N 0 3 311.769 1.556 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNCCS(=O)(=O)CC1CC1 ZINC000840937004 702286669 /nfs/dbraw/zinc/28/66/69/702286669.db2.gz QGORBCKPEMJCOO-UHFFFAOYSA-N 0 3 310.463 1.975 20 10 DDCDHN CC[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000846189246 703248537 /nfs/dbraw/zinc/24/85/37/703248537.db2.gz QMALWKLBQJPIQL-GXTWGEPZSA-N 0 3 312.435 1.775 20 10 DDCDHN COC1CCN(c2ccc(CN3CC[C@@H](O)[C@@H](O)C3)cc2)CC1 ZINC000879609083 706736253 /nfs/dbraw/zinc/73/62/53/706736253.db2.gz MGUNHEYATNNIKR-MSOLQXFVSA-N 0 3 320.433 1.229 20 10 DDCDHN COc1ccc(N2CCN(C[C@H]3CCOC3)CC2)c(OC)c1 ZINC000846752498 703326773 /nfs/dbraw/zinc/32/67/73/703326773.db2.gz BCMSBHJTJBRCQL-CQSZACIVSA-N 0 3 306.406 1.862 20 10 DDCDHN COC(=O)CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000879650385 706749585 /nfs/dbraw/zinc/74/95/85/706749585.db2.gz YKZKZPSJIHGDRO-GXTWGEPZSA-N 0 3 320.389 1.597 20 10 DDCDHN CCc1cccc(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000848912300 703602579 /nfs/dbraw/zinc/60/25/79/703602579.db2.gz DOMRKTYKEQHTKH-AWEZNQCLSA-N 0 3 312.435 1.420 20 10 DDCDHN COc1ccc(N2CC[C@H](N[C@H]3CCCS(=O)(=O)C3)C2)cc1 ZINC000850487145 703733579 /nfs/dbraw/zinc/73/35/79/703733579.db2.gz GLIYLWWIGWXUJX-KBPBESRZSA-N 0 3 324.446 1.441 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)CN(C)C(C)C)C2)cc1 ZINC000855229429 704474262 /nfs/dbraw/zinc/47/42/62/704474262.db2.gz KGOBZUFVHNBHDB-AWEZNQCLSA-N 0 3 305.422 1.730 20 10 DDCDHN CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C(=O)NC ZINC000825316237 705644137 /nfs/dbraw/zinc/64/41/37/705644137.db2.gz MGRMCUVIIHTQIS-CQSZACIVSA-N 0 3 309.385 1.277 20 10 DDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000876557814 705757736 /nfs/dbraw/zinc/75/77/36/705757736.db2.gz DVVBFRWLHPJTTH-HNNXBMFYSA-N 0 3 318.417 1.771 20 10 DDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000876557814 705757739 /nfs/dbraw/zinc/75/77/39/705757739.db2.gz DVVBFRWLHPJTTH-HNNXBMFYSA-N 0 3 318.417 1.771 20 10 DDCDHN CC(C)NC(=O)CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000876881537 705905626 /nfs/dbraw/zinc/90/56/26/705905626.db2.gz JFVUUIZQWRFJKG-UHFFFAOYSA-N 0 3 305.422 1.262 20 10 DDCDHN COC(=O)N(C)CCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000827335747 705978362 /nfs/dbraw/zinc/97/83/62/705978362.db2.gz XUFDAIAKWJUWRB-UHFFFAOYSA-N 0 3 321.421 1.653 20 10 DDCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C(=O)N(C)C ZINC000877158007 706001548 /nfs/dbraw/zinc/00/15/48/706001548.db2.gz NVBYEIKYXZIPFD-CYBMUJFWSA-N 0 3 305.422 1.214 20 10 DDCDHN C[C@H]1CN(CCO)CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835053025 707162923 /nfs/dbraw/zinc/16/29/23/707162923.db2.gz AEOFAVLCLIHNKP-APHBUQMISA-N 0 3 303.450 1.764 20 10 DDCDHN N[C@H](CC1CC1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000884417080 708289025 /nfs/dbraw/zinc/28/90/25/708289025.db2.gz XJYCXTDOCZMLAM-QGZVFWFLSA-N 0 3 317.433 1.391 20 10 DDCDHN O=c1cc(N2CC[C@H]([NH2+]Cc3cc(F)ccc3[O-])C2)nc[nH]1 ZINC000898158208 708560564 /nfs/dbraw/zinc/56/05/64/708560564.db2.gz QUKDQWHVNFFOCM-LBPRGKRZSA-N 0 3 304.325 1.395 20 10 DDCDHN C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000886295807 708737476 /nfs/dbraw/zinc/73/74/76/708737476.db2.gz NFIMVXGWIPSODU-CJNGLKHVSA-N 0 3 324.446 1.046 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)NC2(C)COC2)N(C)C)cc1 ZINC000899099279 708982466 /nfs/dbraw/zinc/98/24/66/708982466.db2.gz XZCUCJCKMQDKST-HNNXBMFYSA-N 0 3 320.437 1.443 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H](O)C2CCC2)N(C)C)cc1 ZINC000891247009 710140730 /nfs/dbraw/zinc/14/07/30/710140730.db2.gz GLKAGGXADBIEOF-DLBZAZTESA-N 0 3 319.449 1.633 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccn(C)n2)N(C)C)cc1 ZINC000891254245 710143148 /nfs/dbraw/zinc/14/31/48/710143148.db2.gz XVOGANAZQFAFOF-INIZCTEOSA-N 0 3 315.421 1.519 20 10 DDCDHN CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1c[nH]cn1 ZINC000911308244 710736181 /nfs/dbraw/zinc/73/61/81/710736181.db2.gz FYMIUQIZNHDEEH-UHFFFAOYSA-N 0 3 317.345 1.250 20 10 DDCDHN COc1ccc(CN2CCC3(CNC(=O)O3)CC2)c(O)c1OC ZINC000893877715 710871469 /nfs/dbraw/zinc/87/14/69/710871469.db2.gz JDVQOSFJUXXHDF-UHFFFAOYSA-N 0 3 322.361 1.484 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2nccn2C)N(C)C)cc1 ZINC000903044799 711013753 /nfs/dbraw/zinc/01/37/53/711013753.db2.gz DEWKFAOTYOSUFB-HNNXBMFYSA-N 0 3 315.421 1.519 20 10 DDCDHN CC[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1ccc(C)cc1[O-] ZINC000903279664 711086217 /nfs/dbraw/zinc/08/62/17/711086217.db2.gz RBHRZXCNPYGDIC-WBVHZDCISA-N 0 3 308.422 1.434 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)COCCN2C)c2c1c(F)ccc2[O-] ZINC000903280855 711086445 /nfs/dbraw/zinc/08/64/45/711086445.db2.gz NZCSRVHEQKJEDW-BTJLNZGRSA-N 0 3 324.396 1.362 20 10 DDCDHN COc1cc(C)cc(CN[C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000895415895 711506987 /nfs/dbraw/zinc/50/69/87/711506987.db2.gz OKXHVXSTGYWDNO-CQSZACIVSA-N 0 3 304.390 1.952 20 10 DDCDHN CON1CC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000905753572 712139268 /nfs/dbraw/zinc/13/92/68/712139268.db2.gz ATOPDOOAKDVIAM-XJKSGUPXSA-N 0 3 319.405 1.336 20 10 DDCDHN C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCN1CCO ZINC001089068351 744485209 /nfs/dbraw/zinc/48/52/09/744485209.db2.gz ZMVROOKBXUPCHJ-MFKMUULPSA-N 0 3 319.365 1.034 20 10 DDCDHN COC[C@@H]1CN(Cc2c(O)cc(O)cc2O)Cc2cn(C)nc21 ZINC001144510058 772557209 /nfs/dbraw/zinc/55/72/09/772557209.db2.gz QKAVEFAHROTLSO-NSHDSACASA-N 0 3 319.361 1.283 20 10 DDCDHN CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001272619399 846416538 /nfs/dbraw/zinc/41/65/38/846416538.db2.gz VMPLPGMWLMYJMF-APHBMKBZSA-N 0 3 316.401 1.935 20 10 DDCDHN CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001272619399 846416540 /nfs/dbraw/zinc/41/65/40/846416540.db2.gz VMPLPGMWLMYJMF-APHBMKBZSA-N 0 3 316.401 1.935 20 10 DDCDHN Oc1ccc(CN2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c(O)c1 ZINC001275952950 854012079 /nfs/dbraw/zinc/01/20/79/854012079.db2.gz PWDLRXVEVYLQQP-IYBDPMFKSA-N 0 3 318.417 1.925 20 10 DDCDHN CN1CCO[C@H]2CN(Cc3ccc(N4CCCC4)cc3)C[C@@H]21 ZINC001275959860 854020107 /nfs/dbraw/zinc/02/01/07/854020107.db2.gz JHAAAXYKDNDEPW-ROUUACIJSA-N 0 3 301.434 1.802 20 10 DDCDHN CN1CCCc2cc(CN3CC[C@@H](O)[C@@](C)(CO)C3)ccc21 ZINC001138354402 860072015 /nfs/dbraw/zinc/07/20/15/860072015.db2.gz IGIVDSZSWOAVER-QZTJIDSGSA-N 0 3 304.434 1.634 20 10 DDCDHN CCN1CCN(c2ccc(CN3CCC(=O)CC3)cc2)CC1 ZINC001140302179 860614789 /nfs/dbraw/zinc/61/47/89/860614789.db2.gz LXXJMZUQJLPWSN-UHFFFAOYSA-N 0 3 301.434 1.993 20 10 DDCDHN COC(=O)CC[C@H]1CCN(Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204346432 871068999 /nfs/dbraw/zinc/06/89/99/871068999.db2.gz PJYIROMJHWJQQW-NSHDSACASA-N 0 3 309.362 1.882 20 10 DDCDHN Cc1cc(Br)c([O-])c(CN2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206534732 872421607 /nfs/dbraw/zinc/42/16/07/872421607.db2.gz BFRSENSSOORJPI-JQWIXIFHSA-N 0 3 315.211 1.215 20 10 DDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CNCCN1C ZINC001343526464 872661021 /nfs/dbraw/zinc/66/10/21/872661021.db2.gz QAKKALWASDGVIK-KRWDZBQOSA-N 0 3 318.465 1.393 20 10 DDCDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(N)cc1 ZINC001357792482 880198024 /nfs/dbraw/zinc/19/80/24/880198024.db2.gz ZAMJKBPYVSGXJG-MRXNPFEDSA-N 0 3 320.437 1.521 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC[C@@H](O)C3)c2c1 ZINC001234525948 888052331 /nfs/dbraw/zinc/05/23/31/888052331.db2.gz NUZDMVKLMABVNF-ZDUSSCGKSA-N 0 3 303.358 1.747 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC[C@@H](O)C3)c2c1 ZINC001234525948 888052353 /nfs/dbraw/zinc/05/23/53/888052353.db2.gz NUZDMVKLMABVNF-ZDUSSCGKSA-N 0 3 303.358 1.747 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](O)[C@H](CO)C3)c2c1 ZINC001234526532 888057639 /nfs/dbraw/zinc/05/76/39/888057639.db2.gz WTHISAZQGHVROO-YVEFUNNKSA-N 0 3 303.358 1.339 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](O)[C@H](CO)C3)c2c1 ZINC001234526532 888057649 /nfs/dbraw/zinc/05/76/49/888057649.db2.gz WTHISAZQGHVROO-YVEFUNNKSA-N 0 3 303.358 1.339 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](OCC(=O)OC)C2)c([O-])c1 ZINC001237046561 889478734 /nfs/dbraw/zinc/47/87/34/889478734.db2.gz FAYMYNWWTNQRMV-AWEZNQCLSA-N 0 3 309.362 1.555 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@H](OCC(=O)OC)C2)c([O-])c1 ZINC001237046561 889478740 /nfs/dbraw/zinc/47/87/40/889478740.db2.gz FAYMYNWWTNQRMV-AWEZNQCLSA-N 0 3 309.362 1.555 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001237043940 889479295 /nfs/dbraw/zinc/47/92/95/889479295.db2.gz SRHNJHDZCSFMTF-QGZVFWFLSA-N 0 3 304.390 1.893 20 10 DDCDHN CCOc1ccc(C[N@H+]2CCC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001237043940 889479300 /nfs/dbraw/zinc/47/93/00/889479300.db2.gz SRHNJHDZCSFMTF-QGZVFWFLSA-N 0 3 304.390 1.893 20 10 DDCDHN COc1cc(CN2CCC[C@@H](n3ccnn3)C2)c(O)c(OC)c1 ZINC001237684723 889801336 /nfs/dbraw/zinc/80/13/36/889801336.db2.gz PSZMJZSSYDWXTP-CYBMUJFWSA-N 0 3 318.377 1.838 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](C)C1)cc2=O ZINC000047274522 352488964 /nfs/dbraw/zinc/48/89/64/352488964.db2.gz VEPDNXMAGCVQNM-LLVKDONJSA-N 0 3 318.377 1.844 20 10 DDCDHN NS(=O)(=O)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000369030378 223614594 /nfs/dbraw/zinc/61/45/94/223614594.db2.gz WHUYNGAWJDRSAE-UHFFFAOYSA-N 0 3 320.414 1.798 20 10 DDCDHN O=C(CCNCc1ccc2c(c1)CCO2)NCc1cccnc1 ZINC000065935554 184383444 /nfs/dbraw/zinc/38/34/44/184383444.db2.gz RSMRTHUNQJNSPQ-UHFFFAOYSA-N 0 3 311.385 1.813 20 10 DDCDHN CCN1CCN(c2ccc(CNC(=O)CN(C)C)cc2F)CC1 ZINC000106922437 221506438 /nfs/dbraw/zinc/50/64/38/221506438.db2.gz ATFHXGFYLYRDRH-UHFFFAOYSA-N 0 3 322.428 1.145 20 10 DDCDHN O=C(NC1CCN(Cc2cc3c(cc2O)OCO3)CC1)C1CC1 ZINC000029586561 406925069 /nfs/dbraw/zinc/92/50/69/406925069.db2.gz PQSHTLDYHCELIS-UHFFFAOYSA-N 0 3 318.373 1.612 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc1OC ZINC000271125518 407529439 /nfs/dbraw/zinc/52/94/39/407529439.db2.gz ZRBFEFSJTAJDKV-GFCCVEGCSA-N 0 3 323.389 1.994 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C3OCCO3)C2)cc1OC ZINC000271125518 407529445 /nfs/dbraw/zinc/52/94/45/407529445.db2.gz ZRBFEFSJTAJDKV-GFCCVEGCSA-N 0 3 323.389 1.994 20 10 DDCDHN Cc1cccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1[O-] ZINC000271710771 407729577 /nfs/dbraw/zinc/72/95/77/407729577.db2.gz ASHHKTXWJCQZQP-CYBMUJFWSA-N 0 3 312.435 1.462 20 10 DDCDHN Cc1cccc(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1[O-] ZINC000271710771 407729579 /nfs/dbraw/zinc/72/95/79/407729579.db2.gz ASHHKTXWJCQZQP-CYBMUJFWSA-N 0 3 312.435 1.462 20 10 DDCDHN Cc1cccc(CN2CCC[C@H](CNS(C)(=O)=O)C2)c1O ZINC000271710771 407729585 /nfs/dbraw/zinc/72/95/85/407729585.db2.gz ASHHKTXWJCQZQP-CYBMUJFWSA-N 0 3 312.435 1.462 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](CN3CCOCC3)C1)OCO2 ZINC000172935418 407854016 /nfs/dbraw/zinc/85/40/16/407854016.db2.gz QVMTYTLDZPKPPP-CYBMUJFWSA-N 0 3 320.389 1.275 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](CN3CCOCC3)C1)OCO2 ZINC000172935418 407854022 /nfs/dbraw/zinc/85/40/22/407854022.db2.gz QVMTYTLDZPKPPP-CYBMUJFWSA-N 0 3 320.389 1.275 20 10 DDCDHN Cc1cc(CN(C)C[C@@H](O)CN2CCOCC2)ccc1N(C)C ZINC000292703164 409039837 /nfs/dbraw/zinc/03/98/37/409039837.db2.gz DJCWVGVVDVDRLP-QGZVFWFLSA-N 0 3 321.465 1.186 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1 ZINC000278709413 409087131 /nfs/dbraw/zinc/08/71/31/409087131.db2.gz OJFHQUIYLKJVBH-HOCLYGCPSA-N 0 3 317.389 1.342 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1 ZINC000278709413 409087132 /nfs/dbraw/zinc/08/71/32/409087132.db2.gz OJFHQUIYLKJVBH-HOCLYGCPSA-N 0 3 317.389 1.342 20 10 DDCDHN Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289759199 409285361 /nfs/dbraw/zinc/28/53/61/409285361.db2.gz QXLJCBILMIFVRM-GUYCJALGSA-N 0 3 317.389 1.653 20 10 DDCDHN Cc1cccc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289759199 409285364 /nfs/dbraw/zinc/28/53/64/409285364.db2.gz QXLJCBILMIFVRM-GUYCJALGSA-N 0 3 317.389 1.653 20 10 DDCDHN CC[C@@H]([NH2+][C@@H](CC)CNS(C)(=O)=O)c1ccccc1[O-] ZINC000294971966 409307021 /nfs/dbraw/zinc/30/70/21/409307021.db2.gz FTUGYZNABDRLDX-WCQYABFASA-N 0 3 300.424 1.761 20 10 DDCDHN CCOc1cccc(C[N@@H+]2CC[C@@](COC)(C(=O)OC)C2)c1[O-] ZINC000295044952 409308869 /nfs/dbraw/zinc/30/88/69/409308869.db2.gz NAFDFNOHWIVMBA-QGZVFWFLSA-N 0 3 323.389 1.802 20 10 DDCDHN CCOc1cccc(C[N@H+]2CC[C@@](COC)(C(=O)OC)C2)c1[O-] ZINC000295044952 409308871 /nfs/dbraw/zinc/30/88/71/409308871.db2.gz NAFDFNOHWIVMBA-QGZVFWFLSA-N 0 3 323.389 1.802 20 10 DDCDHN COc1ccc(N2CCN(C[C@H]3CCNC(=O)CC3)CC2)cc1 ZINC000296458104 409563580 /nfs/dbraw/zinc/56/35/80/409563580.db2.gz JEOWMCJZNBAEHT-OAHLLOKOSA-N 0 3 317.433 1.734 20 10 DDCDHN CCOc1cccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c1[O-] ZINC000370259101 418742414 /nfs/dbraw/zinc/74/24/14/418742414.db2.gz BCTCIJICJIGEOV-XJKSGUPXSA-N 0 3 304.390 1.938 20 10 DDCDHN C[C@]1(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)NC(=O)NC1=O ZINC000371533117 418797437 /nfs/dbraw/zinc/79/74/37/418797437.db2.gz DNHBBXAHSKSTIY-MRXNPFEDSA-N 0 3 321.352 1.341 20 10 DDCDHN CCS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000295906400 276390088 /nfs/dbraw/zinc/39/00/88/276390088.db2.gz IZEIGSQWXJZZOK-CQSZACIVSA-N 0 3 324.446 1.783 20 10 DDCDHN Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c([O-])c1O ZINC000182842649 526160085 /nfs/dbraw/zinc/16/00/85/526160085.db2.gz LJFIDOMMJIDJPF-CYBMUJFWSA-N 0 3 322.405 1.373 20 10 DDCDHN Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c([O-])c1O ZINC000182842649 526160092 /nfs/dbraw/zinc/16/00/92/526160092.db2.gz LJFIDOMMJIDJPF-CYBMUJFWSA-N 0 3 322.405 1.373 20 10 DDCDHN COCCNCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000237203196 697805272 /nfs/dbraw/zinc/80/52/72/697805272.db2.gz BJVPHQUDISNEFY-UHFFFAOYSA-N 0 3 323.462 1.092 20 10 DDCDHN CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000775369094 697989374 /nfs/dbraw/zinc/98/93/74/697989374.db2.gz JCOJGAHLRXSWMI-ZJUUUORDSA-N 0 3 309.366 1.286 20 10 DDCDHN CCCNC(=O)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775832088 698042158 /nfs/dbraw/zinc/04/21/58/698042158.db2.gz XHVCIVHQEJHQCN-LBPRGKRZSA-N 0 3 306.410 1.639 20 10 DDCDHN C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccccc1[O-] ZINC000783510484 698845373 /nfs/dbraw/zinc/84/53/73/698845373.db2.gz OUCYDDUPVYSWOS-ZDUSSCGKSA-N 0 3 305.422 1.595 20 10 DDCDHN Cc1nc(CN2CCN(Cc3ccc(N(C)C)cc3)CC2)n[nH]1 ZINC000785763455 699099423 /nfs/dbraw/zinc/09/94/23/699099423.db2.gz FDCPZMSRKHVOBV-UHFFFAOYSA-N 0 3 314.437 1.497 20 10 DDCDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H](CO)O1 ZINC000787416890 699210922 /nfs/dbraw/zinc/21/09/22/699210922.db2.gz KLJYFOIDSDYKJP-YJBOKZPZSA-N 0 3 319.449 1.020 20 10 DDCDHN CCNS(=O)(=O)CC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794809297 699831707 /nfs/dbraw/zinc/83/17/07/699831707.db2.gz FVLGSRUJDBUHGF-ZDUSSCGKSA-N 0 3 300.424 1.681 20 10 DDCDHN CC[NH+](CC)CCN(CCOC)C(=O)c1cc([O-])cs1 ZINC000755854221 700588007 /nfs/dbraw/zinc/58/80/07/700588007.db2.gz IXNKSYDZSKGSJJ-UHFFFAOYSA-N 0 3 300.424 1.884 20 10 DDCDHN CCN(CC)CCN(CCOC)C(=O)C1=CC(=O)CS1 ZINC000755854221 700588009 /nfs/dbraw/zinc/58/80/09/700588009.db2.gz IXNKSYDZSKGSJJ-UHFFFAOYSA-N 0 3 300.424 1.884 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCN(C)CC2)c2c1c(F)ccc2[O-] ZINC000756491638 700623900 /nfs/dbraw/zinc/62/39/00/700623900.db2.gz WUSXHKXHBRFAAJ-YPMHNXCESA-N 0 3 321.396 1.443 20 10 DDCDHN C[N@@H+]1CC[C@](O)(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000762557261 700897913 /nfs/dbraw/zinc/89/79/13/700897913.db2.gz XKOJGLMCDJTGNM-ZDUSSCGKSA-N 0 3 315.757 1.110 20 10 DDCDHN C[N@H+]1CC[C@](O)(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000762557261 700897915 /nfs/dbraw/zinc/89/79/15/700897915.db2.gz XKOJGLMCDJTGNM-ZDUSSCGKSA-N 0 3 315.757 1.110 20 10 DDCDHN CC[C@H](NCC(=O)N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000765416385 701010856 /nfs/dbraw/zinc/01/08/56/701010856.db2.gz HPGIEOWAZKGBMR-KRWDZBQOSA-N 0 3 318.465 1.567 20 10 DDCDHN COC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440875 701177052 /nfs/dbraw/zinc/17/70/52/701177052.db2.gz USKPSAWJWDGUKL-IUODEOHRSA-N 0 3 321.373 1.736 20 10 DDCDHN COC(=O)C[C@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440875 701177054 /nfs/dbraw/zinc/17/70/54/701177054.db2.gz USKPSAWJWDGUKL-IUODEOHRSA-N 0 3 321.373 1.736 20 10 DDCDHN CN(C)C(=O)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768442982 701177331 /nfs/dbraw/zinc/17/73/31/701177331.db2.gz UZIWBPDHMFWEOY-HNNXBMFYSA-N 0 3 320.389 1.118 20 10 DDCDHN CCOc1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c(O)c1 ZINC000769328486 701241503 /nfs/dbraw/zinc/24/15/03/701241503.db2.gz PURUQBWOZHHYJK-DLBZAZTESA-N 0 3 320.433 1.822 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@]3(CCOC3)C1)[C@H](O)CO2 ZINC000840146885 701995775 /nfs/dbraw/zinc/99/57/75/701995775.db2.gz ZAFQNZJVLQJQSP-WBVHZDCISA-N 0 3 305.374 1.821 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@]3(CCOC3)C1)[C@H](O)CO2 ZINC000840146885 701995779 /nfs/dbraw/zinc/99/57/79/701995779.db2.gz ZAFQNZJVLQJQSP-WBVHZDCISA-N 0 3 305.374 1.821 20 10 DDCDHN COc1cc(CN2CCC[C@@H](NC(=O)N(C)C)C2)c(O)cc1C ZINC000840147258 701996802 /nfs/dbraw/zinc/99/68/02/701996802.db2.gz RBGDSWWYAHILQM-CQSZACIVSA-N 0 3 321.421 1.945 20 10 DDCDHN C[C@@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1O ZINC000868217711 702005582 /nfs/dbraw/zinc/00/55/82/702005582.db2.gz VDMMSFDLRKPYBZ-HZSPNIEDSA-N 0 3 319.405 1.616 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC(NC(=O)NC)CC2)c([O-])c1 ZINC000840975584 702298928 /nfs/dbraw/zinc/29/89/28/702298928.db2.gz ZDFFEZIZUWZGSG-UHFFFAOYSA-N 0 3 307.394 1.684 20 10 DDCDHN COC[C@]1(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])CCC[NH2+]1 ZINC000817974205 702541094 /nfs/dbraw/zinc/54/10/94/702541094.db2.gz JIPHSEKISFQNIG-YVEFUNNKSA-N 0 3 322.405 1.598 20 10 DDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC(C)(C)[NH3+] ZINC000843062708 702811281 /nfs/dbraw/zinc/81/12/81/702811281.db2.gz MCJWHNFWDFZCFM-UHFFFAOYSA-N 0 3 300.786 1.758 20 10 DDCDHN CC[C@H]([NH2+]CCCS(=O)(=O)NC)c1ccc(C)cc1[O-] ZINC000866459241 706703856 /nfs/dbraw/zinc/70/38/56/706703856.db2.gz WCLUNLRIBNZFTD-ZDUSSCGKSA-N 0 3 300.424 1.681 20 10 DDCDHN COc1cccc([C@H](C)NCCS(=O)(=O)CC2CC2)c1O ZINC000846152269 703243524 /nfs/dbraw/zinc/24/35/24/703243524.db2.gz ABGYELORNVODPS-NSHDSACASA-N 0 3 313.419 1.876 20 10 DDCDHN C[C@H]([NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)c1ccccc1[O-] ZINC000879650815 706749490 /nfs/dbraw/zinc/74/94/90/706749490.db2.gz QVTUHKVRACYMLM-SWLSCSKDSA-N 0 3 304.390 1.680 20 10 DDCDHN Cc1ncc(CNCc2ccc(N3CCOCC3)cc2)n1C ZINC000850068269 703701284 /nfs/dbraw/zinc/70/12/84/703701284.db2.gz CXTJLLOYMMNYHK-UHFFFAOYSA-N 0 3 300.406 1.855 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)C3CCC3)C2)cc1 ZINC000852843842 704144656 /nfs/dbraw/zinc/14/46/56/704144656.db2.gz IHRICUXAKAYHGM-BBRMVZONSA-N 0 3 303.406 1.518 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)CC(C)C)C2)cc1 ZINC000852844481 704144938 /nfs/dbraw/zinc/14/49/38/704144938.db2.gz VBRQGCVJTFVVIN-BBRMVZONSA-N 0 3 305.422 1.764 20 10 DDCDHN CC[C@@H]([NH2+]CCC(=O)NCCC(=O)OC)c1ccc(C)cc1[O-] ZINC000858542776 704724742 /nfs/dbraw/zinc/72/47/42/704724742.db2.gz XMSFVKWDEFSDTG-CQSZACIVSA-N 0 3 322.405 1.811 20 10 DDCDHN COc1cc(Cl)cc(CN[C@H](C)C(=O)N(C)OC)c1O ZINC000862542530 705729771 /nfs/dbraw/zinc/72/97/71/705729771.db2.gz RLFZQKUYOYVPLI-MRVPVSSYSA-N 0 3 302.758 1.552 20 10 DDCDHN C[C@@H](NC(=O)[C@H](N)C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000827725397 706057463 /nfs/dbraw/zinc/05/74/63/706057463.db2.gz HQPDXQLKGSFRDP-CXAGYDPISA-N 0 3 317.433 1.828 20 10 DDCDHN CCO[C@H](C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])CN(C)C ZINC000926960908 712923039 /nfs/dbraw/zinc/92/30/39/712923039.db2.gz NNIGJRNTZUAVKO-TZMCWYRMSA-N 0 3 324.421 1.796 20 10 DDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC12CC(C1)C[NH2+]2 ZINC000873206073 707767505 /nfs/dbraw/zinc/76/75/05/707767505.db2.gz ZPNPRFAIKLMTGG-UHFFFAOYSA-N 0 3 324.808 1.773 20 10 DDCDHN COCCNC(=O)C1(N[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000839193165 708035029 /nfs/dbraw/zinc/03/50/29/708035029.db2.gz QDJPIKFUOBTCHE-NSHDSACASA-N 0 3 308.378 1.347 20 10 DDCDHN CCN(CCO)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102212 708983341 /nfs/dbraw/zinc/98/33/41/708983341.db2.gz OEWKASHQAPZAAH-INIZCTEOSA-N 0 3 322.453 1.379 20 10 DDCDHN CC[C@@H](N)c1cn(Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000900604355 709673264 /nfs/dbraw/zinc/67/32/64/709673264.db2.gz NIGSZXGQLGPYRK-OAHLLOKOSA-N 0 3 301.394 1.573 20 10 DDCDHN Cc1c[nH]nc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247026 710140464 /nfs/dbraw/zinc/14/04/64/710140464.db2.gz GRGXLLULSROAKJ-OAHLLOKOSA-N 0 3 315.421 1.817 20 10 DDCDHN COc1cc(C)cc(CN2CN(CCN(C)C)C(=O)[C@H]2C)c1O ZINC000895083481 711401304 /nfs/dbraw/zinc/40/13/04/711401304.db2.gz AHDRFNWMILEETK-CYBMUJFWSA-N 0 3 321.421 1.261 20 10 DDCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930349969 713811189 /nfs/dbraw/zinc/81/11/89/713811189.db2.gz CTNRSGIPDDNGKG-AEFFLSMTSA-N 0 3 323.433 1.897 20 10 DDCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930349969 713811192 /nfs/dbraw/zinc/81/11/92/713811192.db2.gz CTNRSGIPDDNGKG-AEFFLSMTSA-N 0 3 323.433 1.897 20 10 DDCDHN CCN(C)c1ccc(CN[C@H]2C(=O)NCC23CCOCC3)cc1 ZINC000933036647 714505626 /nfs/dbraw/zinc/50/56/26/714505626.db2.gz XHAVLGUMVLIWMK-INIZCTEOSA-N 0 3 317.433 1.528 20 10 DDCDHN COc1cc(C(=O)N2C[C@H]3CCCN(C)[C@@H]3C2)cc(O)c1O ZINC001193096900 745988317 /nfs/dbraw/zinc/98/83/17/745988317.db2.gz CVBLYBNSHGEZLC-ZYHUDNBSSA-N 0 3 306.362 1.273 20 10 DDCDHN C[C@H](O)CN1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016385382 756980544 /nfs/dbraw/zinc/98/05/44/756980544.db2.gz SGXUSGCDPFMGOT-GXFFZTMASA-N 0 3 319.365 1.034 20 10 DDCDHN CC(=O)N1CCC[C@H](N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001169628051 762552417 /nfs/dbraw/zinc/55/24/17/762552417.db2.gz AFDKWCRXAHLUQD-HNNXBMFYSA-N 0 3 304.390 1.857 20 10 DDCDHN COCCC[NH+]1CCC(NCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001172246510 776732947 /nfs/dbraw/zinc/73/29/47/776732947.db2.gz LHNBDWWUVVQJEC-UHFFFAOYSA-N 0 3 322.405 1.371 20 10 DDCDHN COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C[C@@H]1C(=O)OC ZINC001173562095 777240916 /nfs/dbraw/zinc/24/09/16/777240916.db2.gz ACZCLNXLKLXASK-AUZPSNTRSA-N 0 3 321.373 1.784 20 10 DDCDHN CCN(C)C(=O)CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116651094 780539233 /nfs/dbraw/zinc/53/92/33/780539233.db2.gz BSXMZMMRTNMTHW-UHFFFAOYSA-N 0 3 322.428 1.145 20 10 DDCDHN CN(Cc1nnc[nH]1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116845811 780566286 /nfs/dbraw/zinc/56/62/86/780566286.db2.gz VKAWMQJYYZSSBY-UHFFFAOYSA-N 0 3 318.400 1.328 20 10 DDCDHN CN1C[C@]2(CC1=O)COCCN(Cc1cc(F)ccc1O)C2 ZINC001273285061 849333624 /nfs/dbraw/zinc/33/36/24/849333624.db2.gz NGXZHXFYTSTEIS-INIZCTEOSA-N 0 3 308.353 1.212 20 10 DDCDHN CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273285097 849333696 /nfs/dbraw/zinc/33/36/96/849333696.db2.gz NSEKNZTYBINWJI-MRXNPFEDSA-N 0 3 306.337 1.502 20 10 DDCDHN CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273285097 849333698 /nfs/dbraw/zinc/33/36/98/849333698.db2.gz NSEKNZTYBINWJI-MRXNPFEDSA-N 0 3 306.337 1.502 20 10 DDCDHN O=C1OCCCN1C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162436 860798786 /nfs/dbraw/zinc/79/87/86/860798786.db2.gz RKMPOFQJILLZAE-UHFFFAOYSA-N 0 3 306.362 1.905 20 10 DDCDHN CCN(C)C(=O)CO[C@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141162831 860799763 /nfs/dbraw/zinc/79/97/63/860799763.db2.gz GTADTIQWVVZDQD-HNNXBMFYSA-N 0 3 322.405 1.557 20 10 DDCDHN COCCN1C(=O)CCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203555940 870638301 /nfs/dbraw/zinc/63/83/01/870638301.db2.gz KDNOPXSJAYYPLO-UHFFFAOYSA-N 0 3 318.417 1.996 20 10 DDCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)N1CCOCC1 ZINC001203561392 870641647 /nfs/dbraw/zinc/64/16/47/870641647.db2.gz UKWLTKILMUKQCB-UHFFFAOYSA-N 0 3 319.405 1.398 20 10 DDCDHN O=C(NCC(F)F)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277191307 882921713 /nfs/dbraw/zinc/92/17/13/882921713.db2.gz ABTPMOKMOGTPGY-MEBBXXQBSA-N 0 3 312.316 1.301 20 10 DDCDHN O=C(NCC(F)F)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277191307 882921727 /nfs/dbraw/zinc/92/17/27/882921727.db2.gz ABTPMOKMOGTPGY-MEBBXXQBSA-N 0 3 312.316 1.301 20 10 DDCDHN O=S1(=O)CCCN1CCNCc1ccc(N2CCCC2)cc1 ZINC000405293553 877128116 /nfs/dbraw/zinc/12/81/16/877128116.db2.gz MGWPYPPJHICUPB-UHFFFAOYSA-N 0 3 323.462 1.412 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC[C@@H](O)C(F)(F)F)C2)cc1 ZINC001356621599 879136318 /nfs/dbraw/zinc/13/63/18/879136318.db2.gz KNYSFXFDKZFVEV-ZWNOBZJWSA-N 0 3 304.312 1.787 20 10 DDCDHN Nc1ccc(CC(=O)N2CCC(C3=CC=C(N)CN3)CC2)cc1 ZINC001221393185 879744160 /nfs/dbraw/zinc/74/41/60/879744160.db2.gz XZMKHJIUPTXWOX-UHFFFAOYSA-N 0 3 312.417 1.380 20 10 DDCDHN O=C(N1CCCCO1)[C@]12C[C@H]1CCN2Cc1ccccc1O ZINC001277446137 884338781 /nfs/dbraw/zinc/33/87/81/884338781.db2.gz MPARUFQDBXMDQZ-PBHICJAKSA-N 0 3 302.374 1.911 20 10 DDCDHN Cn1cnnc1C1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233486553 887023782 /nfs/dbraw/zinc/02/37/82/887023782.db2.gz RGLCKEOKGUQNIR-UHFFFAOYSA-N 0 3 304.350 1.312 20 10 DDCDHN COc1cc([O-])c(CN2CCNC[C@]23CC[NH2+]C3)c(Cl)c1 ZINC001234987012 888301427 /nfs/dbraw/zinc/30/14/27/888301427.db2.gz CXYLNVZTRAJFLO-OAHLLOKOSA-N 0 3 311.813 1.192 20 10 DDCDHN CNC(=O)CC[N@H+](C)Cc1cc(O)c(Br)cc1[O-] ZINC001236776150 889349897 /nfs/dbraw/zinc/34/98/97/889349897.db2.gz UFJQRZGOENLTPU-UHFFFAOYSA-N 0 3 317.183 1.428 20 10 DDCDHN CNC(=O)CC[N@@H+](C)Cc1cc(O)c(Br)cc1[O-] ZINC001236776150 889349910 /nfs/dbraw/zinc/34/99/10/889349910.db2.gz UFJQRZGOENLTPU-UHFFFAOYSA-N 0 3 317.183 1.428 20 10 DDCDHN COc1cc(C)c(CN2CCC[C@@H](NC(=O)N(C)C)C2)c(O)c1 ZINC001236816759 889370763 /nfs/dbraw/zinc/37/07/63/889370763.db2.gz WGOOQWYKSQCQRF-CYBMUJFWSA-N 0 3 321.421 1.945 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+](C)CC2CCOCC2)c([O-])c1 ZINC001249173039 893850604 /nfs/dbraw/zinc/85/06/04/893850604.db2.gz QCKXMWKNESVXTG-UHFFFAOYSA-N 0 3 307.390 1.966 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+](C)CC2CCOCC2)c([O-])c1 ZINC001249173039 893850623 /nfs/dbraw/zinc/85/06/23/893850623.db2.gz QCKXMWKNESVXTG-UHFFFAOYSA-N 0 3 307.390 1.966 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCCN(C(C)=O)CC2)c([O-])c1 ZINC001249173149 893853806 /nfs/dbraw/zinc/85/38/06/893853806.db2.gz RHXWWUVKMKOKST-UHFFFAOYSA-N 0 3 320.389 1.162 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCCN(C(C)=O)CC2)c([O-])c1 ZINC001249173149 893853819 /nfs/dbraw/zinc/85/38/19/893853819.db2.gz RHXWWUVKMKOKST-UHFFFAOYSA-N 0 3 320.389 1.162 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3CCCN(C)[C@H]3C2)c([O-])c1 ZINC001249214639 893870614 /nfs/dbraw/zinc/87/06/14/893870614.db2.gz OQHGSYAVXIIJHC-ZBFHGGJFSA-N 0 3 318.417 1.634 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H]3CCCN(C)[C@H]3C2)c([O-])c1 ZINC001249214639 893870636 /nfs/dbraw/zinc/87/06/36/893870636.db2.gz OQHGSYAVXIIJHC-ZBFHGGJFSA-N 0 3 318.417 1.634 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3CCCN(C)[C@@H]3C2)c([O-])c1 ZINC001249214636 893873086 /nfs/dbraw/zinc/87/30/86/893873086.db2.gz OQHGSYAVXIIJHC-GDBMZVCRSA-N 0 3 318.417 1.634 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)c([O-])c1 ZINC001249214636 893873095 /nfs/dbraw/zinc/87/30/95/893873095.db2.gz OQHGSYAVXIIJHC-GDBMZVCRSA-N 0 3 318.417 1.634 20 10 DDCDHN CCOC(=O)CCCOc1ccc(CN2CC(CO)C2)c(O)c1 ZINC001249738425 894112351 /nfs/dbraw/zinc/11/23/51/894112351.db2.gz ROMRCGPTCIWHIJ-UHFFFAOYSA-N 0 3 323.389 1.538 20 10 DDCDHN [O-]c1cccc2c1C[N@H+](C[C@@H](O)COCc1ccco1)CC2 ZINC001252639719 895332885 /nfs/dbraw/zinc/33/28/85/895332885.db2.gz FSXVYHOTJXNVAE-CQSZACIVSA-N 0 3 303.358 1.921 20 10 DDCDHN [O-]c1cccc2c1C[N@@H+](C[C@@H](O)COCc1ccco1)CC2 ZINC001252639719 895332899 /nfs/dbraw/zinc/33/28/99/895332899.db2.gz FSXVYHOTJXNVAE-CQSZACIVSA-N 0 3 303.358 1.921 20 10 DDCDHN COCCN1CC[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000273760219 130163285 /nfs/dbraw/zinc/16/32/85/130163285.db2.gz OWPMVSQYWBYMIL-ZDUSSCGKSA-N 0 3 314.813 1.865 20 10 DDCDHN CCCN(CCS(=O)(=O)N(C)C)Cc1ccccc1O ZINC000286235542 131225613 /nfs/dbraw/zinc/22/56/13/131225613.db2.gz CBZYPJCFKSAHEW-UHFFFAOYSA-N 0 3 300.424 1.496 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](CC)C1)cc2=O ZINC000125670691 407394764 /nfs/dbraw/zinc/39/47/64/407394764.db2.gz MUFBOWMOFRHSST-LLVKDONJSA-N 0 3 318.377 1.844 20 10 DDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c1 ZINC000237204299 407805027 /nfs/dbraw/zinc/80/50/27/407805027.db2.gz OXBXEMYMYVCZTA-KRWDZBQOSA-N 0 3 321.465 1.762 20 10 DDCDHN C[C@H]1CN(c2ccc(CNC(=O)C3(N)CC3)cc2F)C[C@H](C)O1 ZINC000269247808 408234466 /nfs/dbraw/zinc/23/44/66/408234466.db2.gz MZAWMZQTLDGIQT-RYUDHWBXSA-N 0 3 321.396 1.547 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000269248870 408234949 /nfs/dbraw/zinc/23/49/49/408234949.db2.gz NXMNFNPQKXYWNF-KRWDZBQOSA-N 0 3 319.449 1.918 20 10 DDCDHN COC(=O)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000276483721 408867322 /nfs/dbraw/zinc/86/73/22/408867322.db2.gz OSZMSYVWWLBJGQ-ZYHUDNBSSA-N 0 3 307.346 1.752 20 10 DDCDHN COC[C@H](NCc1cc(OC)c(OC)cc1O)[C@@H]1CCCO1 ZINC000279510965 409228090 /nfs/dbraw/zinc/22/80/90/409228090.db2.gz XFZWIXOOZYRODO-JSGCOSHPSA-N 0 3 311.378 1.693 20 10 DDCDHN COC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@@H]1CCCO1 ZINC000279510965 409228092 /nfs/dbraw/zinc/22/80/92/409228092.db2.gz XFZWIXOOZYRODO-JSGCOSHPSA-N 0 3 311.378 1.693 20 10 DDCDHN CCOc1cccc(CN(C)[C@H]2CCN3CCO[C@H]2C3)c1O ZINC000294673356 409296594 /nfs/dbraw/zinc/29/65/94/409296594.db2.gz ASPAGJBCPNXWIM-HOCLYGCPSA-N 0 3 306.406 1.696 20 10 DDCDHN CCOc1cccc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000294673356 409296597 /nfs/dbraw/zinc/29/65/97/409296597.db2.gz ASPAGJBCPNXWIM-HOCLYGCPSA-N 0 3 306.406 1.696 20 10 DDCDHN CCOc1cccc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000294673356 409296599 /nfs/dbraw/zinc/29/65/99/409296599.db2.gz ASPAGJBCPNXWIM-HOCLYGCPSA-N 0 3 306.406 1.696 20 10 DDCDHN CN(Cc1cc2c(cc1O)OCO2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295156174 409349360 /nfs/dbraw/zinc/34/93/60/409349360.db2.gz RPRZVCDNNKSLAE-WBMJQRKESA-N 0 3 306.362 1.026 20 10 DDCDHN CCOc1ccc(O)c(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000375488240 418647034 /nfs/dbraw/zinc/64/70/34/418647034.db2.gz ZHMHSJOGRXHWCQ-HZUKXOBISA-N 0 3 304.390 1.877 20 10 DDCDHN C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1ccccc1[O-] ZINC000375517592 418653533 /nfs/dbraw/zinc/65/35/33/418653533.db2.gz WXKIMGXTUKCSLM-CJBNDPTMSA-N 0 3 314.389 1.796 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1OC ZINC000378460393 418723274 /nfs/dbraw/zinc/72/32/74/418723274.db2.gz WDCMGDSMEFLURI-LBPRGKRZSA-N 0 3 303.362 1.780 20 10 DDCDHN CC(=O)N1CCN(CC[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273396237 534793265 /nfs/dbraw/zinc/79/32/65/534793265.db2.gz LWPUOBQLMWLVQX-HNNXBMFYSA-N 0 3 319.449 1.824 20 10 DDCDHN Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccccc3[O-])C2=O)n(C)n1 ZINC000179888474 525094627 /nfs/dbraw/zinc/09/46/27/525094627.db2.gz WIKYWPZPKRSKQT-OCCSQVGLSA-N 0 3 314.389 1.890 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN(C)CC2CCOCC2)cc1 ZINC000156031811 696957231 /nfs/dbraw/zinc/95/72/31/696957231.db2.gz VNAJVULRIDUXSX-UHFFFAOYSA-N 0 3 319.449 1.727 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cc(C)no2)c1 ZINC000182319530 697473937 /nfs/dbraw/zinc/47/39/37/697473937.db2.gz JCJXNWOURKMJQF-SNVBAGLBSA-N 0 3 305.334 1.987 20 10 DDCDHN CC(C)CNC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256943 697977140 /nfs/dbraw/zinc/97/71/40/697977140.db2.gz ATJWSLWEHNHFGQ-OAHLLOKOSA-N 0 3 319.449 1.946 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]CCCCCS(C)(=O)=O ZINC000775373182 697989950 /nfs/dbraw/zinc/98/99/50/697989950.db2.gz ANMFHTJFJGMQPP-UHFFFAOYSA-N 0 3 301.408 1.705 20 10 DDCDHN COc1ccc(O)c(CN2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000775686936 698023157 /nfs/dbraw/zinc/02/31/57/698023157.db2.gz PXFZIIJEWMVYIJ-CQSZACIVSA-N 0 3 304.390 1.988 20 10 DDCDHN COCC[C@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000320549341 698721187 /nfs/dbraw/zinc/72/11/87/698721187.db2.gz SADQFDQMPDQXGI-KRWDZBQOSA-N 0 3 319.449 1.999 20 10 DDCDHN CN1C(=O)CC[C@H](NCc2ccc(N3CCCCC3)cc2)C1=O ZINC000321136626 698725647 /nfs/dbraw/zinc/72/56/47/698725647.db2.gz XUEWSDBBISLSQR-INIZCTEOSA-N 0 3 315.417 1.914 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H](N)C1CCC1 ZINC000399219481 699122520 /nfs/dbraw/zinc/12/25/20/699122520.db2.gz KENQPPOEZBOLEO-QGZVFWFLSA-N 0 3 317.433 1.609 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C(=O)N1c1cnn(C)c1 ZINC000742390666 699876595 /nfs/dbraw/zinc/87/65/95/699876595.db2.gz LALWKDNWVCRKAT-RISCZKNCSA-N 0 3 300.362 1.409 20 10 DDCDHN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)CC[C@H]1N1CCN(C)CC1 ZINC000765419782 701011083 /nfs/dbraw/zinc/01/10/83/701011083.db2.gz DGRAUJGTDMUNAK-TZMCWYRMSA-N 0 3 323.462 1.552 20 10 DDCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCc3nnnn3CC2)c1[O-] ZINC000817419069 702376716 /nfs/dbraw/zinc/37/67/16/702376716.db2.gz OWCUHKVZCUJBQX-GFCCVEGCSA-N 0 3 307.785 1.835 20 10 DDCDHN COC(=O)[C@H]1[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000814172778 702489333 /nfs/dbraw/zinc/48/93/33/702489333.db2.gz CNWJBFPVOWENON-FVQHAEBGSA-N 0 3 316.401 1.374 20 10 DDCDHN Cn1cc([C@@H]2CN(Cc3cc(Cl)ccc3[O-])C[C@H]2[NH3+])cn1 ZINC000818431765 702647738 /nfs/dbraw/zinc/64/77/38/702647738.db2.gz SVYCBFJXVWOMKP-UONOGXRCSA-N 0 3 306.797 1.706 20 10 DDCDHN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CNCCO1 ZINC000842011998 702655096 /nfs/dbraw/zinc/65/50/96/702655096.db2.gz TWOIFYBEYRYKLH-OAHLLOKOSA-N 0 3 321.421 1.692 20 10 DDCDHN CC[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccccc1[O-] ZINC000866551818 706727486 /nfs/dbraw/zinc/72/74/86/706727486.db2.gz CNHAJQKTCHAJTQ-RHSMWYFYSA-N 0 3 320.389 1.061 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c1[O-] ZINC000848925659 703604373 /nfs/dbraw/zinc/60/43/73/703604373.db2.gz BBDUOIMZCLPTSI-LLVKDONJSA-N 0 3 322.796 1.830 20 10 DDCDHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000850851254 703759111 /nfs/dbraw/zinc/75/91/11/703759111.db2.gz DOTGIPYRBXYVFH-CYBMUJFWSA-N 0 3 318.421 1.444 20 10 DDCDHN COc1cc(Cl)cc(CN[C@@H](C)C(=O)N(C)OC)c1O ZINC000862539644 705729345 /nfs/dbraw/zinc/72/93/45/705729345.db2.gz RLFZQKUYOYVPLI-QMMMGPOBSA-N 0 3 302.758 1.552 20 10 DDCDHN COC(=O)CC[C@@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827005204 705911688 /nfs/dbraw/zinc/91/16/88/705911688.db2.gz SNGLDPDWSTZOKR-OAHLLOKOSA-N 0 3 319.405 1.184 20 10 DDCDHN Cc1ccc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)c([O-])c1 ZINC000877002193 705954590 /nfs/dbraw/zinc/95/45/90/705954590.db2.gz RCDZUCWRFZSSKO-UHFFFAOYSA-N 0 3 312.435 1.462 20 10 DDCDHN Cc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c([O-])c1 ZINC000877145891 705996559 /nfs/dbraw/zinc/99/65/59/705996559.db2.gz RIUPGENHWQMFTH-UHFFFAOYSA-N 0 3 320.414 1.680 20 10 DDCDHN C[C@H](O)[C@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000865740614 706511694 /nfs/dbraw/zinc/51/16/94/706511694.db2.gz JHMNLXINDYRRKG-BLLLJJGKSA-N 0 3 323.393 1.416 20 10 DDCDHN CC[NH+](CC)CC[C@@H](CO)NCc1cc(F)cc(F)c1[O-] ZINC000883160653 707943892 /nfs/dbraw/zinc/94/38/92/707943892.db2.gz WXGVNFYRZAUKAE-ZDUSSCGKSA-N 0 3 302.365 1.853 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000896687851 708119967 /nfs/dbraw/zinc/11/99/67/708119967.db2.gz CKJCGJVCNPYLPV-UHFFFAOYSA-N 0 3 307.390 1.838 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@H](N)CC3CC3)CC2)cc1F ZINC000884233313 708203213 /nfs/dbraw/zinc/20/32/13/708203213.db2.gz NYRZVZRNSUVOAG-OAHLLOKOSA-N 0 3 321.396 1.610 20 10 DDCDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1cccc(O)c1O ZINC000885880063 708649179 /nfs/dbraw/zinc/64/91/79/708649179.db2.gz MTCSTVOJHFPSRW-LBPRGKRZSA-N 0 3 306.362 1.081 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2C[C@H](O)C2)N(C)C)cc1 ZINC000899097829 708982627 /nfs/dbraw/zinc/98/26/27/708982627.db2.gz HNSDMEZULYPITI-BPUTZDHNSA-N 0 3 320.437 1.178 20 10 DDCDHN CC(C)[C@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247783 710140561 /nfs/dbraw/zinc/14/05/61/710140561.db2.gz KMWGLNPCFYIKNP-CVEARBPZSA-N 0 3 307.438 1.488 20 10 DDCDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H]2CO)c1[O-] ZINC000902629974 710827189 /nfs/dbraw/zinc/82/71/89/710827189.db2.gz LNDAPVAJIXIEQW-GFCCVEGCSA-N 0 3 301.342 1.899 20 10 DDCDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H]2CO)c1[O-] ZINC000902629974 710827195 /nfs/dbraw/zinc/82/71/95/710827195.db2.gz LNDAPVAJIXIEQW-GFCCVEGCSA-N 0 3 301.342 1.899 20 10 DDCDHN COc1ccc(CNC(C)(C)C(=O)N2CCCC2)c(O)c1OC ZINC000894186294 711005420 /nfs/dbraw/zinc/00/54/20/711005420.db2.gz APCVHUQAYZIGGD-UHFFFAOYSA-N 0 3 322.405 1.900 20 10 DDCDHN COC(=O)c1c(CNCC(C)(C)O)c2cc(F)ccc2n1C ZINC000894259890 711041379 /nfs/dbraw/zinc/04/13/79/711041379.db2.gz HVQZGZIHKNQBNC-UHFFFAOYSA-N 0 3 308.353 1.965 20 10 DDCDHN COC[C@H](O)CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894684412 711238192 /nfs/dbraw/zinc/23/81/92/711238192.db2.gz MMTMQDLSEMQIMF-LLVKDONJSA-N 0 3 324.352 1.201 20 10 DDCDHN C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc(F)cc(F)c1[O-] ZINC000895026675 711374806 /nfs/dbraw/zinc/37/48/06/711374806.db2.gz YSSZSRVYRZWESR-GHMZBOCLSA-N 0 3 300.349 1.557 20 10 DDCDHN C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1cc(F)cc(F)c1[O-] ZINC000895026675 711374812 /nfs/dbraw/zinc/37/48/12/711374812.db2.gz YSSZSRVYRZWESR-GHMZBOCLSA-N 0 3 300.349 1.557 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000919628593 713623172 /nfs/dbraw/zinc/62/31/72/713623172.db2.gz UKQZAHUPVLMSEK-GFCCVEGCSA-N 0 3 307.369 1.815 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000919628593 713623176 /nfs/dbraw/zinc/62/31/76/713623176.db2.gz UKQZAHUPVLMSEK-GFCCVEGCSA-N 0 3 307.369 1.815 20 10 DDCDHN CC[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccccc1[O-] ZINC000925791108 714936557 /nfs/dbraw/zinc/93/65/57/714936557.db2.gz FFMVFAGUSPSJGA-OCCSQVGLSA-N 0 3 312.435 1.210 20 10 DDCDHN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCN(CCCO)C2)cc1 ZINC001016369609 756962820 /nfs/dbraw/zinc/96/28/20/756962820.db2.gz TVBKZPKDPNQVAQ-CYBMUJFWSA-N 0 3 319.365 1.036 20 10 DDCDHN NC(=O)CCN(C(=O)c1cccc2c1CCNC2)c1ccccc1 ZINC001118569477 781162231 /nfs/dbraw/zinc/16/22/31/781162231.db2.gz XRIGOUYMULRJSX-UHFFFAOYSA-N 0 3 323.396 1.855 20 10 DDCDHN CCCCN1C[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272618087 846414663 /nfs/dbraw/zinc/41/46/63/846414663.db2.gz BAZTVPJZFYYBAX-SFHVURJKSA-N 0 3 318.417 1.996 20 10 DDCDHN CCCCN1C[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272618087 846414672 /nfs/dbraw/zinc/41/46/72/846414672.db2.gz BAZTVPJZFYYBAX-SFHVURJKSA-N 0 3 318.417 1.996 20 10 DDCDHN COc1ccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c([O-])c1 ZINC001272626180 846424843 /nfs/dbraw/zinc/42/48/43/846424843.db2.gz UJKYVHWDGRBYSX-QGZVFWFLSA-N 0 3 318.373 1.372 20 10 DDCDHN COc1ccc(C[N@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c([O-])c1 ZINC001272626180 846424852 /nfs/dbraw/zinc/42/48/52/846424852.db2.gz UJKYVHWDGRBYSX-QGZVFWFLSA-N 0 3 318.373 1.372 20 10 DDCDHN COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1[O-])C2 ZINC001275267601 852940972 /nfs/dbraw/zinc/94/09/72/852940972.db2.gz SPTGXUGZGYLSOI-ZBFHGGJFSA-N 0 3 306.406 1.519 20 10 DDCDHN COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1[O-])C2 ZINC001275267601 852940980 /nfs/dbraw/zinc/94/09/80/852940980.db2.gz SPTGXUGZGYLSOI-ZBFHGGJFSA-N 0 3 306.406 1.519 20 10 DDCDHN CCN1CCN(c2ccc(CN3C[C@@H](F)C[C@H]3CO)cc2)CC1 ZINC001140302001 860614804 /nfs/dbraw/zinc/61/48/04/860614804.db2.gz HCISMJPPVVZHQV-WMZOPIPTSA-N 0 3 321.440 1.733 20 10 DDCDHN COc1cc(O)c(CN2CCC(NC(C)=O)CC2)c(OC)c1 ZINC001141032019 860768698 /nfs/dbraw/zinc/76/86/98/860768698.db2.gz QDLBTBMKOCGSSO-UHFFFAOYSA-N 0 3 308.378 1.510 20 10 DDCDHN CC(=O)N(C)C1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141144163 860795751 /nfs/dbraw/zinc/79/57/51/860795751.db2.gz BXLQIIBBYAFHDQ-UHFFFAOYSA-N 0 3 317.433 1.958 20 10 DDCDHN CN1CCN(c2ccc(CN3C[C@@H](O)C4(CC4)C3)cc2F)CC1 ZINC001320486871 866773361 /nfs/dbraw/zinc/77/33/61/866773361.db2.gz OTGBAUZTRMNHQR-QGZVFWFLSA-N 0 3 319.424 1.534 20 10 DDCDHN CCS(=O)(=O)C[C@H](C)NCc1ccc(OC)c(OC)c1O ZINC001333723927 866962056 /nfs/dbraw/zinc/96/20/56/866962056.db2.gz PDSFRGJDTWLNBY-JTQLQIEISA-N 0 3 317.407 1.322 20 10 DDCDHN COCC(=O)N[C@@H]1CCCN(Cc2ccc(OC)cc2O)C1 ZINC001203634441 870686568 /nfs/dbraw/zinc/68/65/68/870686568.db2.gz GFHBHTAYPSKCQN-CYBMUJFWSA-N 0 3 308.378 1.128 20 10 DDCDHN CCN(CC)c1ccc(CN2CC(N3CCN(C)CC3)C2)cc1 ZINC001203943466 870846290 /nfs/dbraw/zinc/84/62/90/870846290.db2.gz CMVXAYDAOULHSW-UHFFFAOYSA-N 0 3 316.493 1.964 20 10 DDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001204273978 871031254 /nfs/dbraw/zinc/03/12/54/871031254.db2.gz XCCYQRBFKKXUCE-QGZVFWFLSA-N 0 3 312.373 1.743 20 10 DDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001204273978 871031269 /nfs/dbraw/zinc/03/12/69/871031269.db2.gz XCCYQRBFKKXUCE-QGZVFWFLSA-N 0 3 312.373 1.743 20 10 DDCDHN CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204274097 871032018 /nfs/dbraw/zinc/03/20/18/871032018.db2.gz IJKBESJESGRMGI-AWEZNQCLSA-N 0 3 304.390 1.788 20 10 DDCDHN Cc1c2ccccc2n(C)c1CNCC(=O)N1CCN(C)CC1 ZINC001308228967 871482027 /nfs/dbraw/zinc/48/20/27/871482027.db2.gz NHWJXBCMCCCBGB-UHFFFAOYSA-N 0 3 314.433 1.350 20 10 DDCDHN [NH3+][C@@H]1CCN(Cc2cc(Br)ccc2[O-])C[C@H]1O ZINC001205946458 871944463 /nfs/dbraw/zinc/94/44/63/871944463.db2.gz MNSSDIPKUKMCRY-ZYHUDNBSSA-N 0 3 301.184 1.049 20 10 DDCDHN Cc1ccc(CN2CC3(C[C@H]3C(=O)Nc3cn[nH]c3)C2)c(O)c1 ZINC001277560021 885847634 /nfs/dbraw/zinc/84/76/34/885847634.db2.gz OLCLZQOAFQFVLM-AWEZNQCLSA-N 0 3 312.373 1.884 20 10 DDCDHN CCc1ccc(CN2C[C@](O)(C(F)(F)F)C[C@H]2CO)c(O)c1 ZINC001236782883 889353044 /nfs/dbraw/zinc/35/30/44/889353044.db2.gz GKSTULDAFCMODX-JSGCOSHPSA-N 0 3 319.323 1.815 20 10 DDCDHN CCc1ccc(CN2CC3(C2)CCOC[C@@H]3C(=O)OC)c(O)c1 ZINC001236792335 889356949 /nfs/dbraw/zinc/35/69/49/889356949.db2.gz POBMUHBJJPDLRV-OAHLLOKOSA-N 0 3 319.401 1.966 20 10 DDCDHN O=C(N1CCCCO1)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278257347 890291416 /nfs/dbraw/zinc/29/14/16/890291416.db2.gz UBAXHPBINHMINX-CXAGYDPISA-N 0 3 320.364 1.907 20 10 DDCDHN O=C(N1CCCCO1)[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278257347 890291429 /nfs/dbraw/zinc/29/14/29/890291429.db2.gz UBAXHPBINHMINX-CXAGYDPISA-N 0 3 320.364 1.907 20 10 DDCDHN COCC[NH+](CCOC)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249172325 893851651 /nfs/dbraw/zinc/85/16/51/893851651.db2.gz LICMIOLUGMKKLE-UHFFFAOYSA-N 0 3 311.378 1.203 20 10 DDCDHN O=S(=O)(NC1CCN(Cc2ccccc2O)CC1)C1CC1 ZINC001259279619 898574371 /nfs/dbraw/zinc/57/43/71/898574371.db2.gz POYPHKPZGPIYBD-UHFFFAOYSA-N 0 3 310.419 1.438 20 10 DDCDHN COc1ccc(N2CCC(NC(=O)[C@@H](N)CC3CC3)CC2)cc1 ZINC001262035416 899906347 /nfs/dbraw/zinc/90/63/47/899906347.db2.gz JGQGCDKNAJTZJK-KRWDZBQOSA-N 0 3 317.433 1.908 20 10 DDCDHN CCOc1cccc(CN2CC[C@@H](NC(=O)NC3CC3)C2)c1O ZINC000273783627 130166445 /nfs/dbraw/zinc/16/64/45/130166445.db2.gz UASMBXSJERPNFB-CQSZACIVSA-N 0 3 319.405 1.827 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CN(C)CCN2C)c1[O-] ZINC000228674150 407650914 /nfs/dbraw/zinc/65/09/14/407650914.db2.gz XKQHFMZKALCGIF-CYBMUJFWSA-N 0 3 313.829 1.390 20 10 DDCDHN COc1cccc(CN2CCCN(C(=O)C3CC3)CC2)c1O ZINC000119100079 407996814 /nfs/dbraw/zinc/99/68/14/407996814.db2.gz SUXOHVFUJXEGRE-UHFFFAOYSA-N 0 3 304.390 1.845 20 10 DDCDHN CC(C)C[C@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000165415843 408811551 /nfs/dbraw/zinc/81/15/51/408811551.db2.gz UURWQNYXRPHSKN-HNNXBMFYSA-N 0 3 323.412 1.652 20 10 DDCDHN COc1cc([O-])c(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1OC ZINC000280979004 408868717 /nfs/dbraw/zinc/86/87/17/408868717.db2.gz WAKLYUZZYUYSIC-DGCLKSJQSA-N 0 3 311.378 1.144 20 10 DDCDHN COc1c([O-])c(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000293737506 409171904 /nfs/dbraw/zinc/17/19/04/409171904.db2.gz VLPFAECHGJXVOL-PHIMTYICSA-N 0 3 309.366 1.833 20 10 DDCDHN COc1c([O-])c(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000293737506 409171905 /nfs/dbraw/zinc/17/19/05/409171905.db2.gz VLPFAECHGJXVOL-PHIMTYICSA-N 0 3 309.366 1.833 20 10 DDCDHN C[NH+]1CCC([C@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)CC1 ZINC000279684495 409246239 /nfs/dbraw/zinc/24/62/39/409246239.db2.gz ATEGPLXNBPPQRP-ZDUSSCGKSA-N 0 3 304.390 1.902 20 10 DDCDHN CC[C@H]([NH2+]CCN1CCN(C(C)=O)CC1)c1ccc(C)cc1[O-] ZINC000280069667 409255142 /nfs/dbraw/zinc/25/51/42/409255142.db2.gz KXPMPFWMTZJHMC-KRWDZBQOSA-N 0 3 319.449 1.905 20 10 DDCDHN Cc1cc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)ccc1N(C)C ZINC000295510517 409323263 /nfs/dbraw/zinc/32/32/63/409323263.db2.gz UBFUXOANAZAMRW-MSOLQXFVSA-N 0 3 303.450 1.966 20 10 DDCDHN CCOc1ccc(O)c(CNCCS(=O)(=O)C(C)C)c1 ZINC000290232706 409330346 /nfs/dbraw/zinc/33/03/46/409330346.db2.gz TTXHZSGTPPXGJL-UHFFFAOYSA-N 0 3 301.408 1.704 20 10 DDCDHN COc1ccc(O)c(CN[C@H]2CCCc3c2cnn3CCO)c1 ZINC000320190636 409901987 /nfs/dbraw/zinc/90/19/87/409901987.db2.gz PGHPGCQZTGAQQU-HNNXBMFYSA-N 0 3 317.389 1.757 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)cc1OC ZINC000366924633 418539352 /nfs/dbraw/zinc/53/93/52/418539352.db2.gz IUQLJFNHHISRPT-PXAZEXFGSA-N 0 3 320.389 1.556 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000377706002 418714233 /nfs/dbraw/zinc/71/42/33/418714233.db2.gz UFYKGMMTSUDFHZ-INIZCTEOSA-N 0 3 319.449 1.939 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000377706002 418714236 /nfs/dbraw/zinc/71/42/36/418714236.db2.gz UFYKGMMTSUDFHZ-INIZCTEOSA-N 0 3 319.449 1.939 20 10 DDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000371093546 418761925 /nfs/dbraw/zinc/76/19/25/418761925.db2.gz LDNHKNLFYAZSRT-SUMWQHHRSA-N 0 3 317.389 1.511 20 10 DDCDHN Cc1cc(O)c(CN2CCN(c3ccc(=O)[nH]n3)CC2)cc1C ZINC000371332015 418779552 /nfs/dbraw/zinc/77/95/52/418779552.db2.gz MKAVEEQXSCPOKG-UHFFFAOYSA-N 0 3 314.389 1.827 20 10 DDCDHN O=C([C@H]1CCCO1)N1CCCN(Cc2ccccc2O)CC1 ZINC000378491670 418724259 /nfs/dbraw/zinc/72/42/59/418724259.db2.gz FSKWJVPSDFIUHE-MRXNPFEDSA-N 0 3 304.390 1.606 20 10 DDCDHN CN1CCC[C@@]2(CC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)C1=O ZINC000368718826 418724361 /nfs/dbraw/zinc/72/43/61/418724361.db2.gz KVRCAPSKUNYVSK-KRWDZBQOSA-N 0 3 318.373 1.565 20 10 DDCDHN CN1CCC[C@@]2(CC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)C1=O ZINC000368718826 418724366 /nfs/dbraw/zinc/72/43/66/418724366.db2.gz KVRCAPSKUNYVSK-KRWDZBQOSA-N 0 3 318.373 1.565 20 10 DDCDHN COCCN(C)CCNC(=O)NCc1ccc2c(c1)CCN2C ZINC000372491350 418876499 /nfs/dbraw/zinc/87/64/99/418876499.db2.gz BFFGMHKZSDZEJW-UHFFFAOYSA-N 0 3 320.437 1.056 20 10 DDCDHN CCOCc1cc(CNC[C@@H](O)[C@@H]2CCCO2)ccc1OC ZINC000527759323 302981816 /nfs/dbraw/zinc/98/18/16/302981816.db2.gz SVBMRFVFNKZUGV-WBVHZDCISA-N 0 3 309.406 1.861 20 10 DDCDHN COc1ccc(N2CCC(N(C)C[C@@H]3CNC(=O)O3)CC2)cc1 ZINC000376797904 337041429 /nfs/dbraw/zinc/04/14/29/337041429.db2.gz BSFSLVSCLNCWQX-INIZCTEOSA-N 0 3 319.405 1.704 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CC[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000278530546 484296268 /nfs/dbraw/zinc/29/62/68/484296268.db2.gz VCHVJWYCCXOSFO-RISCZKNCSA-N 0 3 321.377 1.835 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CC[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000278530546 484296274 /nfs/dbraw/zinc/29/62/74/484296274.db2.gz VCHVJWYCCXOSFO-RISCZKNCSA-N 0 3 321.377 1.835 20 10 DDCDHN COc1c([O-])c(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000278530546 484296282 /nfs/dbraw/zinc/29/62/82/484296282.db2.gz VCHVJWYCCXOSFO-RISCZKNCSA-N 0 3 321.377 1.835 20 10 DDCDHN COc1c([O-])c(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000278530546 484296290 /nfs/dbraw/zinc/29/62/90/484296290.db2.gz VCHVJWYCCXOSFO-RISCZKNCSA-N 0 3 321.377 1.835 20 10 DDCDHN CCOc1ccc(O)c(CN2CCC(S(N)(=O)=O)CC2)c1 ZINC000364906131 521142425 /nfs/dbraw/zinc/14/24/25/521142425.db2.gz QNGBUGFBMMVXBW-UHFFFAOYSA-N 0 3 314.407 1.044 20 10 DDCDHN CC(C)N(C)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000067571185 696361973 /nfs/dbraw/zinc/36/19/73/696361973.db2.gz CRNCXJXQJYANEP-UHFFFAOYSA-N 0 3 319.449 1.822 20 10 DDCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)CC1(CO)COC1 ZINC000151241715 696882239 /nfs/dbraw/zinc/88/22/39/696882239.db2.gz HPZKKYFDUKGLCU-OAHLLOKOSA-N 0 3 307.390 1.382 20 10 DDCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)CC1(CO)COC1 ZINC000151241715 696882241 /nfs/dbraw/zinc/88/22/41/696882241.db2.gz HPZKKYFDUKGLCU-OAHLLOKOSA-N 0 3 307.390 1.382 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCc2cccnc2)c1 ZINC000182346769 697473879 /nfs/dbraw/zinc/47/38/79/697473879.db2.gz JRLYBZFEWDCMJS-LBPRGKRZSA-N 0 3 315.373 1.763 20 10 DDCDHN C[C@@H](N[C@@H]1CCCCNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000194478142 697710716 /nfs/dbraw/zinc/71/07/16/697710716.db2.gz JCFVWQMQRBOPAW-RHSMWYFYSA-N 0 3 317.433 1.843 20 10 DDCDHN CCNC(=O)CN(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775657964 698020043 /nfs/dbraw/zinc/02/00/43/698020043.db2.gz IZTGUGJQDSAHEG-UHFFFAOYSA-N 0 3 304.438 1.006 20 10 DDCDHN CC(C)CNC(=O)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775831780 698042614 /nfs/dbraw/zinc/04/26/14/698042614.db2.gz USIBIIPTQPHAQA-ZDUSSCGKSA-N 0 3 320.437 1.885 20 10 DDCDHN COc1ccc(N2CCCN([C@H]3CCCN(C)C3=O)CC2)cc1 ZINC000778939853 698384514 /nfs/dbraw/zinc/38/45/14/698384514.db2.gz GCKNQGSEUOPNEP-KRWDZBQOSA-N 0 3 317.433 1.828 20 10 DDCDHN Cc1ccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c([O-])c1O ZINC000751536190 700298262 /nfs/dbraw/zinc/29/82/62/700298262.db2.gz WMLTUCIKGMOWOB-UHFFFAOYSA-N 0 3 304.350 1.417 20 10 DDCDHN C[C@@H]1OCC[C@]1(C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000755169853 700554156 /nfs/dbraw/zinc/55/41/56/700554156.db2.gz OBQBDECYYSBEQV-GUYCJALGSA-N 0 3 305.422 1.526 20 10 DDCDHN COCCC[N@H+](CCOC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439421 701176869 /nfs/dbraw/zinc/17/68/69/701176869.db2.gz HFEGMIFKLYTWTH-OAHLLOKOSA-N 0 3 311.378 1.303 20 10 DDCDHN COCCC[N@@H+](CCOC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439421 701176870 /nfs/dbraw/zinc/17/68/70/701176870.db2.gz HFEGMIFKLYTWTH-OAHLLOKOSA-N 0 3 311.378 1.303 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000770387428 701275911 /nfs/dbraw/zinc/27/59/11/701275911.db2.gz PPVQTXAZSAWDNV-CYBMUJFWSA-N 0 3 302.378 1.905 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000770387428 701275912 /nfs/dbraw/zinc/27/59/12/701275912.db2.gz PPVQTXAZSAWDNV-CYBMUJFWSA-N 0 3 302.378 1.905 20 10 DDCDHN O=C1CO[C@H]2CCN(Cc3cc4c(cc3O)CCCC4)C[C@@H]2N1 ZINC000840151996 701999272 /nfs/dbraw/zinc/99/92/72/701999272.db2.gz IAXDRYWRGPILOO-RDJZCZTQSA-N 0 3 316.401 1.360 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2ccnn2)c2c1c(F)ccc2[O-] ZINC000840804725 702244345 /nfs/dbraw/zinc/24/43/45/702244345.db2.gz HNAHDLBJOVXHKH-CKYFFXLPSA-N 0 3 306.341 1.322 20 10 DDCDHN CN(C(=O)NCCc1ccc(N)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000841956256 702635160 /nfs/dbraw/zinc/63/51/60/702635160.db2.gz ZWXYFKDTLNKBQS-MRXNPFEDSA-N 0 3 302.422 1.689 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2=O)c2c1c(F)ccc2[O-] ZINC000818362064 702640040 /nfs/dbraw/zinc/64/00/40/702640040.db2.gz PBKYLCHHYNIYCG-DVVUODLYSA-N 0 3 306.337 1.817 20 10 DDCDHN Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1[O-] ZINC000843121930 702823724 /nfs/dbraw/zinc/82/37/24/702823724.db2.gz LHYNDBNTWFNIJN-ZDUSSCGKSA-N 0 3 306.797 1.926 20 10 DDCDHN CCn1nncc1CN[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850346263 703725893 /nfs/dbraw/zinc/72/58/93/703725893.db2.gz DKTCLKDKACWPDY-CYBMUJFWSA-N 0 3 301.394 1.675 20 10 DDCDHN CCn1ncc(CNCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000858207441 704678355 /nfs/dbraw/zinc/67/83/55/704678355.db2.gz WZTCRTGGTXCOMS-UHFFFAOYSA-N 0 3 314.437 1.340 20 10 DDCDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875370324 705367119 /nfs/dbraw/zinc/36/71/19/705367119.db2.gz CRIHPKSSIUYJBT-IAQYHMDHSA-N 0 3 301.390 1.900 20 10 DDCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+](CCO)CCO ZINC000862430001 705716562 /nfs/dbraw/zinc/71/65/62/705716562.db2.gz NLDWADUNORLFCS-UHFFFAOYSA-N 0 3 317.385 1.758 20 10 DDCDHN CN(C)C[C@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000876504567 705737882 /nfs/dbraw/zinc/73/78/82/705737882.db2.gz ZUMXCOOVXJPSJM-KRWDZBQOSA-N 0 3 318.465 1.524 20 10 DDCDHN CC(C)[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCN1C ZINC000827499231 706014932 /nfs/dbraw/zinc/01/49/32/706014932.db2.gz AQEDHCVHLXNIFT-BRLPQQTGSA-N 0 3 304.390 1.910 20 10 DDCDHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C(=O)NCCF ZINC000877500663 706124882 /nfs/dbraw/zinc/12/48/82/706124882.db2.gz XBDAJKWEEHBZDF-CYBMUJFWSA-N 0 3 323.412 1.212 20 10 DDCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000877528144 706132482 /nfs/dbraw/zinc/13/24/82/706132482.db2.gz VGVQBSFTJUXMNA-UHFFFAOYSA-N 0 3 303.362 1.217 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881476074 707271418 /nfs/dbraw/zinc/27/14/18/707271418.db2.gz LBUMHGKRXQULBF-CYBMUJFWSA-N 0 3 320.389 1.471 20 10 DDCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](N)CCOC)cc1 ZINC000884180574 708175240 /nfs/dbraw/zinc/17/52/40/708175240.db2.gz CMZXWLYHBWCITH-INIZCTEOSA-N 0 3 307.438 1.855 20 10 DDCDHN C[C@@H](NC(=O)[C@H](N)CC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000884202562 708187020 /nfs/dbraw/zinc/18/70/20/708187020.db2.gz BNJNCPRCHCABHS-CXAGYDPISA-N 0 3 317.433 1.828 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCOC2)N(C)C)cc1 ZINC000891251901 710142683 /nfs/dbraw/zinc/14/26/83/710142683.db2.gz HXNLHFKPXQIROP-WBVHZDCISA-N 0 3 319.449 1.898 20 10 DDCDHN COc1ccc(CN2CC[C@@H](n3cncn3)C2)c(O)c1OC ZINC000893694617 710781191 /nfs/dbraw/zinc/78/11/91/710781191.db2.gz ZWTKSYCRYLKDNP-GFCCVEGCSA-N 0 3 304.350 1.448 20 10 DDCDHN CC(C)[C@H](C(=O)N1CCCc2cc(O)c(O)cc2C1)N(C)C ZINC001183363258 743823988 /nfs/dbraw/zinc/82/39/88/743823988.db2.gz VEYPQKHMLUHVEG-MRXNPFEDSA-N 0 3 306.406 1.959 20 10 DDCDHN COc1cc(O)c(CN(C)C2CCS(=O)CC2)cc1OC ZINC001180098651 779621238 /nfs/dbraw/zinc/62/12/38/779621238.db2.gz NYGXCBYCVRPMCY-UHFFFAOYSA-N 0 3 313.419 1.752 20 10 DDCDHN COc1cc([O-])c(CN2CCC[NH2+]CC2)cc1Br ZINC001204675112 839819937 /nfs/dbraw/zinc/81/99/37/839819937.db2.gz HMYOPDJDICRMII-UHFFFAOYSA-N 0 3 315.211 1.959 20 10 DDCDHN COc1ccc(N2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001274792286 852608991 /nfs/dbraw/zinc/60/89/91/852608991.db2.gz ZOTHHWQEJVONBR-SFHVURJKSA-N 0 3 317.433 1.686 20 10 DDCDHN Oc1ccc(CN2CC3(CCN3CCn3ccnc3)C2)c(O)c1 ZINC001275953611 854008288 /nfs/dbraw/zinc/00/82/88/854008288.db2.gz ZGWBNHIEEAUSLU-UHFFFAOYSA-N 0 3 314.389 1.255 20 10 DDCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CNCCN2C)cc1 ZINC001121983144 858651646 /nfs/dbraw/zinc/65/16/46/858651646.db2.gz YJLWCFXKYUEWEH-KRWDZBQOSA-N 0 3 318.465 1.395 20 10 DDCDHN CCN(CC)c1ccc(CN2C[C@H](CO)[C@H](O)C2)c(OC)c1 ZINC001138386152 860081730 /nfs/dbraw/zinc/08/17/30/860081730.db2.gz HVERGRZQCXSKRP-GDBMZVCRSA-N 0 3 308.422 1.326 20 10 DDCDHN Cc1c(O)ccc(CN2CCc3[nH]c(=O)[nH]c(=O)c3C2)c1O ZINC001140747699 860691447 /nfs/dbraw/zinc/69/14/47/860691447.db2.gz FXJOPMTZEQYAET-UHFFFAOYSA-N 0 3 303.318 1.166 20 10 DDCDHN CCN(CC)c1ccc(CN2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC001140850494 860712749 /nfs/dbraw/zinc/71/27/49/860712749.db2.gz MYUBXNRLTHIOJJ-KRWDZBQOSA-N 0 3 319.449 1.755 20 10 DDCDHN O=C(NC1CCN(Cc2cc(O)ccc2O)CC1)N1CCCC1 ZINC001141161854 860799388 /nfs/dbraw/zinc/79/93/88/860799388.db2.gz GLUZKYCZNWAAOJ-UHFFFAOYSA-N 0 3 319.405 1.868 20 10 DDCDHN Oc1ccc(O)c(CN2CCC[C@H](Oc3ncccn3)C2)c1 ZINC001141162869 860799589 /nfs/dbraw/zinc/79/95/89/860799589.db2.gz IOTDFRZSMMENKA-AWEZNQCLSA-N 0 3 301.346 1.931 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2cc[nH]n2)N(C)C)cc1 ZINC001334842204 867857006 /nfs/dbraw/zinc/85/70/06/867857006.db2.gz AFXLXBDZYAOVLB-MRXNPFEDSA-N 0 3 315.421 1.437 20 10 DDCDHN CC1=NC2(CCN(Cc3ccc(N(C)C)cc3)CC2)C(=O)N1C ZINC001203936390 870844189 /nfs/dbraw/zinc/84/41/89/870844189.db2.gz GGJUTCRMBCCSAF-UHFFFAOYSA-N 0 3 314.433 1.978 20 10 DDCDHN COc1cc(N2CCN([C@H](C)[C@@H](C)O)CC2)cc(OC)c1OC ZINC001307665764 871447660 /nfs/dbraw/zinc/44/76/60/871447660.db2.gz DBZVJOQNWQRGBI-CHWSQXEVSA-N 0 3 324.421 1.604 20 10 DDCDHN COc1cc([O-])c(CN2C[C@@H](C)[C@H]([NH3+])C2)cc1Br ZINC001206071076 872032629 /nfs/dbraw/zinc/03/26/29/872032629.db2.gz ZJZWRJVCYYODDH-LDYMZIIASA-N 0 3 315.211 1.942 20 10 DDCDHN COc1cc(CN2CC[C@]3(CCC[C@@H]3C(N)=O)C2)cc(O)c1O ZINC001277217711 883067676 /nfs/dbraw/zinc/06/76/76/883067676.db2.gz DEKBQRDQCPRQAL-SJKOYZFVSA-N 0 3 320.389 1.584 20 10 DDCDHN N=c1c2cc(N)ccc2on1C(=O)C[C@@H]([NH3+])c1ccccc1[O-] ZINC001219138607 877952413 /nfs/dbraw/zinc/95/24/13/877952413.db2.gz PXWBQSLJGPACKS-GFCCVEGCSA-N 0 3 312.329 1.732 20 10 DDCDHN Cn1ccnc1NC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277441220 884294305 /nfs/dbraw/zinc/29/43/05/884294305.db2.gz JVVXRIYRYGCOKW-CXAGYDPISA-N 0 3 312.373 1.586 20 10 DDCDHN Cn1ccnc1NC(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441220 884294323 /nfs/dbraw/zinc/29/43/23/884294323.db2.gz JVVXRIYRYGCOKW-CXAGYDPISA-N 0 3 312.373 1.586 20 10 DDCDHN COCCN(C)C(=O)[C@@]12C[C@@H]1CCN2Cc1ccccc1O ZINC001277445767 884327405 /nfs/dbraw/zinc/32/74/05/884327405.db2.gz HROJUJHITCTHFQ-WMLDXEAASA-N 0 3 304.390 1.461 20 10 DDCDHN COc1cc(CN2CCc3c(cc[nH]c3=O)C2)c(O)cc1O ZINC001231639294 885779239 /nfs/dbraw/zinc/77/92/39/885779239.db2.gz OINAKONFVXNDNX-UHFFFAOYSA-N 0 3 302.330 1.765 20 10 DDCDHN Cc1ccc(CN2CC[C@H]3C[C@]32C(=O)NCC2COC2)c(O)c1 ZINC001277567733 885877188 /nfs/dbraw/zinc/87/71/88/885877188.db2.gz HRCRAOCXVIQAAA-MAUKXSAKSA-N 0 3 316.401 1.428 20 10 DDCDHN COC(=O)c1c(CN2CCC[C@@H]2CO)c2ccccc2n1C ZINC001232401634 886334477 /nfs/dbraw/zinc/33/44/77/886334477.db2.gz AAUNBKCQEAXMDF-GFCCVEGCSA-N 0 3 302.374 1.922 20 10 DDCDHN [O-]c1c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cccc1OC(F)(F)F ZINC001233727299 887252461 /nfs/dbraw/zinc/25/24/61/887252461.db2.gz LQTUBRRFVXZWAU-VHSXEESVSA-N 0 3 307.268 1.076 20 10 DDCDHN [O-]c1c(C[N@H+]2C[C@@H](O)[C@H](CO)C2)cccc1OC(F)(F)F ZINC001233727299 887252476 /nfs/dbraw/zinc/25/24/76/887252476.db2.gz LQTUBRRFVXZWAU-VHSXEESVSA-N 0 3 307.268 1.076 20 10 DDCDHN COC(=O)[C@@H]1CNCCN1Cc1cc(Cl)c(OC)cc1O ZINC001236056842 889087444 /nfs/dbraw/zinc/08/74/44/889087444.db2.gz UBGPXRNJJJEQIN-NSHDSACASA-N 0 3 314.769 1.001 20 10 DDCDHN COc1cc([O-])c(CN2C[C@@H]3C[NH2+]C[C@@H]32)cc1Br ZINC001236290777 889165389 /nfs/dbraw/zinc/16/53/89/889165389.db2.gz KHRWGTXJXLDVFL-ONGXEEELSA-N 0 3 313.195 1.567 20 10 DDCDHN CCc1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)c([O-])c1 ZINC001236785163 889353753 /nfs/dbraw/zinc/35/37/53/889353753.db2.gz GFNDVFYWRWOOCF-OIISXLGYSA-N 0 3 318.417 1.775 20 10 DDCDHN CCc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)c([O-])c1 ZINC001236785163 889353767 /nfs/dbraw/zinc/35/37/67/889353767.db2.gz GFNDVFYWRWOOCF-OIISXLGYSA-N 0 3 318.417 1.775 20 10 DDCDHN CCc1ccc(CN2CCN(CC(N)=O)C(C)(C)C2)c(O)c1 ZINC001236794818 889359269 /nfs/dbraw/zinc/35/92/69/889359269.db2.gz PKMKUBOTRBQVPG-UHFFFAOYSA-N 0 3 305.422 1.336 20 10 DDCDHN COc1ccc(CN[C@H](CO)CNC(=O)C(C)(F)F)cc1C ZINC001278040815 889465495 /nfs/dbraw/zinc/46/54/95/889465495.db2.gz FAFJPHVSYZWRDL-LBPRGKRZSA-N 0 3 316.348 1.226 20 10 DDCDHN CC[N@H+](CCC(N)=O)Cc1c([O-])cccc1OC(F)(F)F ZINC001237110608 889508172 /nfs/dbraw/zinc/50/81/72/889508172.db2.gz IDMIFPOUWFVOEZ-UHFFFAOYSA-N 0 3 306.284 1.988 20 10 DDCDHN CC[N@@H+](CCC(N)=O)Cc1c([O-])cccc1OC(F)(F)F ZINC001237110608 889508184 /nfs/dbraw/zinc/50/81/84/889508184.db2.gz IDMIFPOUWFVOEZ-UHFFFAOYSA-N 0 3 306.284 1.988 20 10 DDCDHN NC(=O)[C@H]1CCCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237118685 889511064 /nfs/dbraw/zinc/51/10/64/889511064.db2.gz AJRAJNIYDJQMIW-VIFPVBQESA-N 0 3 318.295 1.988 20 10 DDCDHN COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2[O-])CN1 ZINC001246317017 892536046 /nfs/dbraw/zinc/53/60/46/892536046.db2.gz JWBCDEZSFOVRIG-CVEARBPZSA-N 0 3 314.385 1.929 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c([O-])c1 ZINC001249178620 893856053 /nfs/dbraw/zinc/85/60/53/893856053.db2.gz SXQZFQUOSABSOI-KRWDZBQOSA-N 0 3 305.374 1.863 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@]3(CCCO3)C2)c([O-])c1 ZINC001249178620 893856068 /nfs/dbraw/zinc/85/60/68/893856068.db2.gz SXQZFQUOSABSOI-KRWDZBQOSA-N 0 3 305.374 1.863 20 10 DDCDHN COC(=O)Cc1ccc(C[NH+]2CCC(C)(C(N)=O)CC2)c([O-])c1 ZINC001249201252 893864412 /nfs/dbraw/zinc/86/44/12/893864412.db2.gz LYKPELYOCABZGD-UHFFFAOYSA-N 0 3 320.389 1.195 20 10 DDCDHN O=C1CC2(CN1)CC[NH+](Cc1cc3c(cc1[O-])OCO3)CC2 ZINC000072918192 353226356 /nfs/dbraw/zinc/22/63/56/353226356.db2.gz BDEAUXWEURQKOX-UHFFFAOYSA-N 0 3 304.346 1.223 20 10 DDCDHN CC[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccccc1[O-] ZINC000274931884 130274490 /nfs/dbraw/zinc/27/44/90/130274490.db2.gz RBGRMQYXEJXTRI-LSDHHAIUSA-N 0 3 305.422 1.773 20 10 DDCDHN Cc1ccc([O-])c(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1 ZINC000289326655 131374286 /nfs/dbraw/zinc/37/42/86/131374286.db2.gz GHWIHLCOEZBMDK-UHFFFAOYSA-N 0 3 312.435 1.462 20 10 DDCDHN Cc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c([O-])c1O ZINC000182840411 292053870 /nfs/dbraw/zinc/05/38/70/292053870.db2.gz UDQDYWLDJRGDPO-OCCSQVGLSA-N 0 3 304.390 1.963 20 10 DDCDHN Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c([O-])c1O ZINC000182840411 292053871 /nfs/dbraw/zinc/05/38/71/292053871.db2.gz UDQDYWLDJRGDPO-OCCSQVGLSA-N 0 3 304.390 1.963 20 10 DDCDHN COc1ccc(N2CCN(CCCN3CCOCC3)CC2)cc1 ZINC000075594732 406935445 /nfs/dbraw/zinc/93/54/45/406935445.db2.gz AORPCYRBDGAHNB-UHFFFAOYSA-N 0 3 319.449 1.540 20 10 DDCDHN CCOc1cccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000093664464 407201257 /nfs/dbraw/zinc/20/12/57/407201257.db2.gz PZRZIWJLQZOQFZ-OAHLLOKOSA-N 0 3 320.433 1.945 20 10 DDCDHN CCOc1cccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000093664464 407201260 /nfs/dbraw/zinc/20/12/60/407201260.db2.gz PZRZIWJLQZOQFZ-OAHLLOKOSA-N 0 3 320.433 1.945 20 10 DDCDHN CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)N1CCOCC1 ZINC000185665650 407473381 /nfs/dbraw/zinc/47/33/81/407473381.db2.gz DGSFGJWTGTWDAS-SMDDNHRTSA-N 0 3 310.369 1.819 20 10 DDCDHN Cc1cc([O-])c(C[NH+]2CCC(C(=O)NCCCO)CC2)cc1C ZINC000271063772 407497051 /nfs/dbraw/zinc/49/70/51/407497051.db2.gz ZAIBRBYXXXJVRD-UHFFFAOYSA-N 0 3 320.433 1.720 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN(C)C[C@@H]2CCCOC2)cc1 ZINC000174147334 407916813 /nfs/dbraw/zinc/91/68/13/407916813.db2.gz NXKMZYRUDRSIGT-INIZCTEOSA-N 0 3 319.449 1.727 20 10 DDCDHN C[C@@H](NCCn1cncn1)c1ccc(N2CCOCC2)cc1 ZINC000268801339 408197811 /nfs/dbraw/zinc/19/78/11/408197811.db2.gz GIBCALHQZXXKFZ-CQSZACIVSA-N 0 3 301.394 1.466 20 10 DDCDHN CCOc1ccc(O)c(CN2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000276879059 408902448 /nfs/dbraw/zinc/90/24/48/408902448.db2.gz ZTYKVJYCOSUBLN-CQSZACIVSA-N 0 3 304.390 1.988 20 10 DDCDHN CNCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000281557835 408889922 /nfs/dbraw/zinc/88/99/22/408889922.db2.gz ZUZUHKPEKTYHJP-VXGBXAGGSA-N 0 3 309.385 1.275 20 10 DDCDHN CCNC(=O)C1(C[NH2+]Cc2cc(OC)c(OC)cc2[O-])CCC1 ZINC000277355500 408925431 /nfs/dbraw/zinc/92/54/31/408925431.db2.gz WACPXSNXKYIADU-UHFFFAOYSA-N 0 3 322.405 1.805 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1 ZINC000278808441 409093829 /nfs/dbraw/zinc/09/38/29/409093829.db2.gz YHNDZDFFXSOXPY-HOTGVXAUSA-N 0 3 301.390 1.642 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1 ZINC000278808441 409093830 /nfs/dbraw/zinc/09/38/30/409093830.db2.gz YHNDZDFFXSOXPY-HOTGVXAUSA-N 0 3 301.390 1.642 20 10 DDCDHN Cc1cc(C[N@@H+]2CCC[C@H](c3nc(=O)[n-][nH]3)C2)ccc1N(C)C ZINC000293570951 409139630 /nfs/dbraw/zinc/13/96/30/409139630.db2.gz MXOJDMNIQQOMMI-AWEZNQCLSA-N 0 3 315.421 1.852 20 10 DDCDHN Cc1cc(C[N@H+]2CCC[C@H](c3nc(=O)[n-][nH]3)C2)ccc1N(C)C ZINC000293570951 409139632 /nfs/dbraw/zinc/13/96/32/409139632.db2.gz MXOJDMNIQQOMMI-AWEZNQCLSA-N 0 3 315.421 1.852 20 10 DDCDHN COc1cccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000289716140 409284796 /nfs/dbraw/zinc/28/47/96/409284796.db2.gz PDTHAFKFBLWZSF-DZGCQCFKSA-N 0 3 306.406 1.696 20 10 DDCDHN COc1cccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000289716140 409284797 /nfs/dbraw/zinc/28/47/97/409284797.db2.gz PDTHAFKFBLWZSF-DZGCQCFKSA-N 0 3 306.406 1.696 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1 ZINC000529642233 307564959 /nfs/dbraw/zinc/56/49/59/307564959.db2.gz GXAKKFKZBZJMOP-SFHVURJKSA-N 0 3 315.369 1.857 20 10 DDCDHN COc1ccc(N2CCC(NCc3cnnn3C)CC2)cc1 ZINC000370268820 534000156 /nfs/dbraw/zinc/00/01/56/534000156.db2.gz NASDVUHVEJQJBA-UHFFFAOYSA-N 0 3 301.394 1.582 20 10 DDCDHN CN(CCNC(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000265941788 522855821 /nfs/dbraw/zinc/85/58/21/522855821.db2.gz LLDUQXZNNQUPAP-UHFFFAOYSA-N 0 3 314.433 1.956 20 10 DDCDHN CC(C)N(C)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000067592506 696362216 /nfs/dbraw/zinc/36/22/16/696362216.db2.gz GSDUBNINZMEDDI-UHFFFAOYSA-N 0 3 305.422 1.480 20 10 DDCDHN COCCN(CCO)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000135821721 696852239 /nfs/dbraw/zinc/85/22/39/696852239.db2.gz YOFRIFGDDAOUPU-UHFFFAOYSA-N 0 3 301.770 1.689 20 10 DDCDHN COc1cc(O)c(CN2CCC(N(C)C(C)=O)CC2)cc1OC ZINC000160051837 697314901 /nfs/dbraw/zinc/31/49/01/697314901.db2.gz YFODIDIGPCNTBB-UHFFFAOYSA-N 0 3 322.405 1.852 20 10 DDCDHN C[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)c2c1c(F)ccc2[O-] ZINC000779049330 698392524 /nfs/dbraw/zinc/39/25/24/698392524.db2.gz GQMWHCPALAGXFO-WPRPVWTQSA-N 0 3 307.325 1.221 20 10 DDCDHN CNC(=O)C1(NCc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000779175939 698399954 /nfs/dbraw/zinc/39/99/54/698399954.db2.gz YCGXRHCANDOLKL-UHFFFAOYSA-N 0 3 317.433 1.672 20 10 DDCDHN C[C@H](N[C@@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000764629208 700979497 /nfs/dbraw/zinc/97/94/97/700979497.db2.gz LHBGLLBUSFDDTH-XJKSGUPXSA-N 0 3 303.406 1.452 20 10 DDCDHN Oc1cc2c(cc1CN1CCN(C3CCC3)CC1)[C@@H](O)CO2 ZINC000768449702 701177863 /nfs/dbraw/zinc/17/78/63/701177863.db2.gz YVRHCWALPRXRCL-INIZCTEOSA-N 0 3 304.390 1.488 20 10 DDCDHN CCOc1ccc(O)c(CN[C@@H](CCSC)C(=O)NC)c1 ZINC000808439064 701518016 /nfs/dbraw/zinc/51/80/16/701518016.db2.gz VPPNFCCQKFVCIS-ZDUSSCGKSA-N 0 3 312.435 1.748 20 10 DDCDHN COC(=O)[C@@](C)(O)CN(Cc1ccco1)Cc1ccccc1O ZINC000808736276 701533622 /nfs/dbraw/zinc/53/36/22/701533622.db2.gz OWTUFFDMRITISR-KRWDZBQOSA-N 0 3 319.357 1.911 20 10 DDCDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)N1CCCCC1 ZINC000841019894 702312784 /nfs/dbraw/zinc/31/27/84/702312784.db2.gz LXRVYPGEIPGUFJ-LBPRGKRZSA-N 0 3 304.394 1.198 20 10 DDCDHN C[C@@H](NC1COCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000813881138 702430828 /nfs/dbraw/zinc/43/08/28/702430828.db2.gz UPURDNNWBRCGNQ-CYBMUJFWSA-N 0 3 324.396 1.728 20 10 DDCDHN COc1cc(C)cc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1O ZINC000842642581 702748562 /nfs/dbraw/zinc/74/85/62/702748562.db2.gz GODPIZPKHZKXQX-YPMHNXCESA-N 0 3 306.362 1.640 20 10 DDCDHN COCCOCCN1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000846117902 703239685 /nfs/dbraw/zinc/23/96/85/703239685.db2.gz SIKLMYHLNHRVNI-UHFFFAOYSA-N 0 3 322.449 1.790 20 10 DDCDHN C[C@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1ccccc1[O-] ZINC000879653358 706750193 /nfs/dbraw/zinc/75/01/93/706750193.db2.gz OWWVHZLHQOQKMF-QMMMGPOBSA-N 0 3 319.283 1.431 20 10 DDCDHN COc1cc(Br)cc(C[NH2+]C/C=C\CO)c1[O-] ZINC000850357607 703726762 /nfs/dbraw/zinc/72/67/62/703726762.db2.gz PIJGYLOKBCCBMV-IHWYPQMZSA-N 0 3 302.168 1.801 20 10 DDCDHN COC[C@@](C)(O)CCNCc1cc(F)c(N(C)C)cc1F ZINC000858169825 704672982 /nfs/dbraw/zinc/67/29/82/704672982.db2.gz DQGIEQAZNGUAGY-HNNXBMFYSA-N 0 3 302.365 1.908 20 10 DDCDHN COC(=O)CCNC(=O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000858541463 704724542 /nfs/dbraw/zinc/72/45/42/704724542.db2.gz KSFIYNJNCHFRCL-LBPRGKRZSA-N 0 3 306.362 1.039 20 10 DDCDHN CC[C@@H](N)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877227013 706022953 /nfs/dbraw/zinc/02/29/53/706022953.db2.gz AGTUOSSOTRDFFY-CYBMUJFWSA-N 0 3 307.394 1.090 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NC(=O)CNC[C@H]2CCCO2)c1 ZINC000828667978 706214996 /nfs/dbraw/zinc/21/49/96/706214996.db2.gz XLBXMAMHDMUEDH-DGCLKSJQSA-N 0 3 308.378 1.347 20 10 DDCDHN CCN(C#N)CCN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000878358270 706369207 /nfs/dbraw/zinc/36/92/07/706369207.db2.gz NEXPMPBCIMQTNK-OAHLLOKOSA-N 0 3 302.422 1.977 20 10 DDCDHN COc1ccc(CN[C@@H]2COC[C@H]2OC)cc1Cn1cccn1 ZINC000873134867 707744295 /nfs/dbraw/zinc/74/42/95/707744295.db2.gz VMUBEDIODYACSR-NVXWUHKLSA-N 0 3 317.389 1.443 20 10 DDCDHN CCNS(=O)(=O)c1cccc(CNCc2ccccc2O)c1 ZINC000839146984 708030447 /nfs/dbraw/zinc/03/04/47/708030447.db2.gz AOILHTVHMWNTLZ-UHFFFAOYSA-N 0 3 320.414 1.980 20 10 DDCDHN CCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000839146984 708030449 /nfs/dbraw/zinc/03/04/49/708030449.db2.gz AOILHTVHMWNTLZ-UHFFFAOYSA-N 0 3 320.414 1.980 20 10 DDCDHN Cc1cccc([O-])c1C[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000897580514 708381878 /nfs/dbraw/zinc/38/18/78/708381878.db2.gz PAUFPPQHTONTFV-UHFFFAOYSA-N 0 3 303.406 1.938 20 10 DDCDHN CN(C)c1ccc([C@H](CN2C(=O)CN(C)C2=O)N(C)C)cc1 ZINC000900186054 709319720 /nfs/dbraw/zinc/31/97/20/709319720.db2.gz VPOQDZCDMGSNAF-AWEZNQCLSA-N 0 3 304.394 1.249 20 10 DDCDHN CC[C@H](N)c1cn(Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000900604354 709673552 /nfs/dbraw/zinc/67/35/52/709673552.db2.gz NIGSZXGQLGPYRK-HNNXBMFYSA-N 0 3 301.394 1.573 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CCOC2)N(C)C)cc1 ZINC000891246788 710140713 /nfs/dbraw/zinc/14/07/13/710140713.db2.gz DMONCRJQOFHTGB-AEFFLSMTSA-N 0 3 319.449 1.898 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H](O)C(C)(C)C)N(C)C)cc1 ZINC000891250164 710141811 /nfs/dbraw/zinc/14/18/11/710141811.db2.gz ZSHOKEQVKAYRDS-JKSUJKDBSA-N 0 3 321.465 1.879 20 10 DDCDHN COCCOCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253838 710143340 /nfs/dbraw/zinc/14/33/40/710143340.db2.gz URGSFGUDCXCHPB-MRXNPFEDSA-N 0 3 323.437 1.135 20 10 DDCDHN COc1ccc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c([O-])c1OC ZINC000892242059 710402660 /nfs/dbraw/zinc/40/26/60/710402660.db2.gz OPPCTJGKHGOXGW-ZDUSSCGKSA-N 0 3 322.405 1.710 20 10 DDCDHN COc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)c([O-])c1OC ZINC000892242059 710402663 /nfs/dbraw/zinc/40/26/63/710402663.db2.gz OPPCTJGKHGOXGW-ZDUSSCGKSA-N 0 3 322.405 1.710 20 10 DDCDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000902420377 710748458 /nfs/dbraw/zinc/74/84/58/710748458.db2.gz LXAXUAPDGDSSAV-QMTHXVAHSA-N 0 3 307.346 1.203 20 10 DDCDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000902420377 710748460 /nfs/dbraw/zinc/74/84/60/710748460.db2.gz LXAXUAPDGDSSAV-QMTHXVAHSA-N 0 3 307.346 1.203 20 10 DDCDHN C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cc(F)ccc1[O-] ZINC000903290900 711090747 /nfs/dbraw/zinc/09/07/47/711090747.db2.gz JDLDIFPIHZTHHW-LLVKDONJSA-N 0 3 316.398 1.608 20 10 DDCDHN O=c1ccn(CCC[NH2+][C@H]2CCc3cccc([O-])c32)c(=O)[nH]1 ZINC000903428102 711122506 /nfs/dbraw/zinc/12/25/06/711122506.db2.gz DAZGHCSUXYLROH-LBPRGKRZSA-N 0 3 301.346 1.322 20 10 DDCDHN OC[C@]1(C(F)(F)F)CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000895845720 711623622 /nfs/dbraw/zinc/62/36/22/711623622.db2.gz OOJOMIFPQRYJFM-ZDUSSCGKSA-N 0 3 319.279 1.868 20 10 DDCDHN [NH3+]Cc1cc(=O)[n-]c(CNCc2ccc3c(c2)CCCO3)n1 ZINC000904379844 711849534 /nfs/dbraw/zinc/84/95/34/711849534.db2.gz DIUCPWVKMUQIQK-UHFFFAOYSA-N 0 3 300.362 1.256 20 10 DDCDHN CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1c([O-])cccc1F ZINC000905662475 712110527 /nfs/dbraw/zinc/11/05/27/712110527.db2.gz WCZWVMGQFXPZEU-LLVKDONJSA-N 0 3 311.426 1.980 20 10 DDCDHN CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1c([O-])cccc1F ZINC000905662475 712110528 /nfs/dbraw/zinc/11/05/28/712110528.db2.gz WCZWVMGQFXPZEU-LLVKDONJSA-N 0 3 311.426 1.980 20 10 DDCDHN COC(=O)c1cnc(CC[NH2+]Cc2c([O-])cccc2OC)s1 ZINC000922835340 714163297 /nfs/dbraw/zinc/16/32/97/714163297.db2.gz UZTVBVGIETXBDW-UHFFFAOYSA-N 0 3 322.386 1.976 20 10 DDCDHN COc1ccc(N2CC[C@@H](N[C@H]3C(=O)NCC3(C)C)C2)cc1 ZINC000926679850 715111961 /nfs/dbraw/zinc/11/19/61/715111961.db2.gz HOUVSRWJHAIKDA-DOMZBBRYSA-N 0 3 303.406 1.388 20 10 DDCDHN COCC[N@H+](Cc1cc(F)ccc1[O-])C1CCN(C(C)=O)CC1 ZINC001140055230 732772250 /nfs/dbraw/zinc/77/22/50/732772250.db2.gz BWGLXHCMBALQOO-UHFFFAOYSA-N 0 3 324.396 1.991 20 10 DDCDHN COCC[N@@H+](Cc1cc(F)ccc1[O-])C1CCN(C(C)=O)CC1 ZINC001140055230 732772252 /nfs/dbraw/zinc/77/22/52/732772252.db2.gz BWGLXHCMBALQOO-UHFFFAOYSA-N 0 3 324.396 1.991 20 10 DDCDHN COCCCN1CCN(Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204345395 743662578 /nfs/dbraw/zinc/66/25/78/743662578.db2.gz QIXKJDHPSAODIJ-UHFFFAOYSA-N 0 3 310.394 1.261 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@@]2(CO)COC[C@@H]3CCCN32)c([O-])c1 ZINC001184373570 744036096 /nfs/dbraw/zinc/03/60/96/744036096.db2.gz ADZYLQMAMCSPQF-DOTOQJQBSA-N 0 3 306.406 1.016 20 10 DDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C1COC1 ZINC001274304042 852142284 /nfs/dbraw/zinc/14/22/84/852142284.db2.gz PLCMTLCQMDKOFN-HZPDHXFCSA-N 0 3 316.401 1.665 20 10 DDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C1COC1 ZINC001274304042 852142288 /nfs/dbraw/zinc/14/22/88/852142288.db2.gz PLCMTLCQMDKOFN-HZPDHXFCSA-N 0 3 316.401 1.665 20 10 DDCDHN Cc1ccc(O)c(CN2CC3(CCN3CCn3ccnc3)C2)c1 ZINC001275311975 852972073 /nfs/dbraw/zinc/97/20/73/852972073.db2.gz WZZFNGUBCKOVLM-UHFFFAOYSA-N 0 3 312.417 1.857 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c(OC)c1 ZINC001141032936 860768592 /nfs/dbraw/zinc/76/85/92/860768592.db2.gz UAAJKMYMTZIOMH-GFCCVEGCSA-N 0 3 320.389 1.606 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CCC(=O)N3CCC[C@@H]3C2)c(OC)c1 ZINC001141032936 860768599 /nfs/dbraw/zinc/76/85/99/860768599.db2.gz UAAJKMYMTZIOMH-GFCCVEGCSA-N 0 3 320.389 1.606 20 10 DDCDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc2c(c1)CCCN2C ZINC000322149890 882051509 /nfs/dbraw/zinc/05/15/09/882051509.db2.gz IDXIJLRROCCGIF-KRWDZBQOSA-N 0 3 317.433 1.406 20 10 DDCDHN CN1C[C@H](CN(Cc2ccccc2O)C[C@H]2CCCO2)OC1=O ZINC001347643129 874225296 /nfs/dbraw/zinc/22/52/96/874225296.db2.gz PJOPBXKSRYBEQB-HUUCEWRRSA-N 0 3 320.389 1.824 20 10 DDCDHN COc1ccc(N2CCN(C)C[C@@]3(CCCC(=O)N3)C2)cc1 ZINC001276924351 881115118 /nfs/dbraw/zinc/11/51/18/881115118.db2.gz IMZDRQYOIOCOEB-KRWDZBQOSA-N 0 3 303.406 1.486 20 10 DDCDHN [O-]c1ccc(Cl)c(Cl)c1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234992609 888316793 /nfs/dbraw/zinc/31/67/93/888316793.db2.gz SFODEZPQYHNPRQ-AWEZNQCLSA-N 0 3 316.232 1.836 20 10 DDCDHN CCN(CC)c1ccc(CN2CCNC[C@H]2C(=O)OC)c(O)c1 ZINC001236055690 889085604 /nfs/dbraw/zinc/08/56/04/889085604.db2.gz XMHYPGURLGKSRI-HNNXBMFYSA-N 0 3 321.421 1.185 20 10 DDCDHN COc1cc(C)c(C[NH+]2CCC3(COC(=O)N3)CC2)c([O-])c1 ZINC001236820845 889370944 /nfs/dbraw/zinc/37/09/44/889370944.db2.gz NDAVKKUWQSHOOU-UHFFFAOYSA-N 0 3 306.362 1.784 20 10 DDCDHN CN(C)C(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]2O1 ZINC001278254768 890283014 /nfs/dbraw/zinc/28/30/14/890283014.db2.gz HFKWUXFMQQVEGB-XPKDYRNWSA-N 0 3 322.380 1.599 20 10 DDCDHN CN(C)C(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]2O1 ZINC001278254768 890283024 /nfs/dbraw/zinc/28/30/24/890283024.db2.gz HFKWUXFMQQVEGB-XPKDYRNWSA-N 0 3 322.380 1.599 20 10 DDCDHN COC(=O)Cc1ccc(C[NH+]2CC3(C2)CCCOC3)c([O-])c1 ZINC001249177849 893853755 /nfs/dbraw/zinc/85/37/55/893853755.db2.gz KFPKCUGEXLOWJO-UHFFFAOYSA-N 0 3 305.374 1.720 20 10 DDCDHN CCOc1cccc(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1O ZINC000284218061 131059943 /nfs/dbraw/zinc/05/99/43/131059943.db2.gz CQAAYMFLQWYAMQ-KBPBESRZSA-N 0 3 308.422 1.678 20 10 DDCDHN Cc1cc(C)c([C@H](C)[NH2+]CCS(=O)(=O)NC(C)C)c([O-])c1 ZINC000285036868 131132338 /nfs/dbraw/zinc/13/23/38/131132338.db2.gz HXDFYIMQHUAMMJ-ZDUSSCGKSA-N 0 3 314.451 1.987 20 10 DDCDHN CN1CCCc2cc(CN[C@H]3CCCS(=O)(=O)C3)ccc21 ZINC000069140829 406682890 /nfs/dbraw/zinc/68/28/90/406682890.db2.gz ZSKMKJQMIWKAJN-HNNXBMFYSA-N 0 3 308.447 1.736 20 10 DDCDHN CC(C)C(=O)N1CCC([NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000063255989 407232297 /nfs/dbraw/zinc/23/22/97/407232297.db2.gz BDWIIKYWCFYNDI-UHFFFAOYSA-N 0 3 320.389 1.858 20 10 DDCDHN CC[C@H]([NH2+][C@@H](C)c1cc(C)ccc1[O-])C(=O)N1CCOCC1 ZINC000185664801 407472841 /nfs/dbraw/zinc/47/28/41/407472841.db2.gz KKELVDGGAZTTCH-ZFWWWQNUSA-N 0 3 306.406 1.989 20 10 DDCDHN Cc1ccc([O-])c(C[NH+]2CCC(C(=O)NCCCO)CC2)c1 ZINC000271033076 407477587 /nfs/dbraw/zinc/47/75/87/407477587.db2.gz DMAPVFVNUPZTPG-UHFFFAOYSA-N 0 3 306.406 1.411 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CC(=O)N(C)C2)c1[O-] ZINC000271818949 407731024 /nfs/dbraw/zinc/73/10/24/407731024.db2.gz CBVZXMAEQLUKNR-NSHDSACASA-N 0 3 313.195 1.783 20 10 DDCDHN C[C@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000269267012 408239782 /nfs/dbraw/zinc/23/97/82/408239782.db2.gz ZOAVQHPOBOVYGH-TUAOUCFPSA-N 0 3 309.385 1.403 20 10 DDCDHN COCC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000184708009 408673784 /nfs/dbraw/zinc/67/37/84/408673784.db2.gz LJIMTYKFBQLCGI-AWEZNQCLSA-N 0 3 303.786 1.931 20 10 DDCDHN C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccccc1[O-] ZINC000281188131 408874762 /nfs/dbraw/zinc/87/47/62/408874762.db2.gz RCFQFKHZUIDYLL-NEPJUHHUSA-N 0 3 314.389 1.601 20 10 DDCDHN COc1c([O-])c(CN2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000278153570 409073829 /nfs/dbraw/zinc/07/38/29/409073829.db2.gz CMRORKPDEMXMQA-NSHDSACASA-N 0 3 309.366 1.693 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CC[C@@H](CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000278153570 409073831 /nfs/dbraw/zinc/07/38/31/409073831.db2.gz CMRORKPDEMXMQA-NSHDSACASA-N 0 3 309.366 1.693 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CC[C@@H](CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000278153570 409073833 /nfs/dbraw/zinc/07/38/33/409073833.db2.gz CMRORKPDEMXMQA-NSHDSACASA-N 0 3 309.366 1.693 20 10 DDCDHN COc1cc(O)c(CN(C)[C@H](C)CN2CCOCC2)cc1OC ZINC000278581208 409085758 /nfs/dbraw/zinc/08/57/58/409085758.db2.gz BNTUSKMBRQZJRN-CYBMUJFWSA-N 0 3 324.421 1.562 20 10 DDCDHN Cc1cccc(CN2CCC[C@H](N3CCCS3(=O)=O)C2)c1O ZINC000279441896 409215835 /nfs/dbraw/zinc/21/58/35/409215835.db2.gz PJIOSACIMFQCSN-HNNXBMFYSA-N 0 3 324.446 1.701 20 10 DDCDHN CCN1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301620049 410757491 /nfs/dbraw/zinc/75/74/91/410757491.db2.gz MFZNPOBBSRJFNS-UHFFFAOYSA-N 0 3 320.349 1.458 20 10 DDCDHN CCN1C(=O)[C@@H]2CN(Cc3cc(C)c(C)cc3O)CCN2C1=O ZINC000378369684 418722311 /nfs/dbraw/zinc/72/23/11/418722311.db2.gz JIKLFRPXZMCYAS-AWEZNQCLSA-N 0 3 317.389 1.477 20 10 DDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1CSCCN1 ZINC000237151010 340668325 /nfs/dbraw/zinc/66/83/25/340668325.db2.gz VBERESHNRKRQAC-LBPRGKRZSA-N 0 3 321.446 1.573 20 10 DDCDHN COC(=O)CC1(NCc2ccc3c(c2)CCO3)CCOCC1 ZINC000267669479 522936157 /nfs/dbraw/zinc/93/61/57/522936157.db2.gz NYVAXQZUURHUAN-UHFFFAOYSA-N 0 3 305.374 1.823 20 10 DDCDHN CCCN(CCN1CCCS1(=O)=O)Cc1ccccc1O ZINC000747619573 700078149 /nfs/dbraw/zinc/07/81/49/700078149.db2.gz OMJISQCLBMEMHI-UHFFFAOYSA-N 0 3 312.435 1.640 20 10 DDCDHN CCC[N@H+](CCN1CCCS1(=O)=O)Cc1ccccc1[O-] ZINC000747619573 700078152 /nfs/dbraw/zinc/07/81/52/700078152.db2.gz OMJISQCLBMEMHI-UHFFFAOYSA-N 0 3 312.435 1.640 20 10 DDCDHN CCC[N@@H+](CCN1CCCS1(=O)=O)Cc1ccccc1[O-] ZINC000747619573 700078154 /nfs/dbraw/zinc/07/81/54/700078154.db2.gz OMJISQCLBMEMHI-UHFFFAOYSA-N 0 3 312.435 1.640 20 10 DDCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC1CC1 ZINC000747815685 700088061 /nfs/dbraw/zinc/08/80/61/700088061.db2.gz LFAQHZOMMNOUKP-UONOGXRCSA-N 0 3 317.433 1.841 20 10 DDCDHN COCCNCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000237140288 697804839 /nfs/dbraw/zinc/80/48/39/697804839.db2.gz YLURUBGZQIGXCF-UHFFFAOYSA-N 0 3 319.449 1.871 20 10 DDCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NC(=O)NC2CC2)c1 ZINC000775371818 697989921 /nfs/dbraw/zinc/98/99/21/697989921.db2.gz UPRGHIWZUARFAQ-ZJUUUORDSA-N 0 3 321.377 1.428 20 10 DDCDHN CN(C)c1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc1F ZINC000734272666 699645320 /nfs/dbraw/zinc/64/53/20/699645320.db2.gz NQRNFKYVQNTEGN-ZDUSSCGKSA-N 0 3 320.412 1.928 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c([O-])c1 ZINC000792187292 699681685 /nfs/dbraw/zinc/68/16/85/699681685.db2.gz ROYKXESITQFWBM-CQSZACIVSA-N 0 3 304.390 1.988 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c([O-])c1 ZINC000792187292 699681686 /nfs/dbraw/zinc/68/16/86/699681686.db2.gz ROYKXESITQFWBM-CQSZACIVSA-N 0 3 304.390 1.988 20 10 DDCDHN COc1cc(C)cc(CN2CCC[C@@H]2C(=O)NC2CC2)c1O ZINC000754720997 700522300 /nfs/dbraw/zinc/52/23/00/700522300.db2.gz YXXLYXJGPVXDMW-CQSZACIVSA-N 0 3 304.390 1.952 20 10 DDCDHN COC(=O)C[C@]1(NCc2ccc(N(C)C)c(F)c2)CCOC1 ZINC000766458961 701051883 /nfs/dbraw/zinc/05/18/83/701051883.db2.gz ORWUYKIVUMGELQ-MRXNPFEDSA-N 0 3 310.369 1.704 20 10 DDCDHN COC(=O)[C@@H]1C[C@H](O)CN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000830865588 706593463 /nfs/dbraw/zinc/59/34/63/706593463.db2.gz ORCMRQKGTCDGKC-CABCVRRESA-N 0 3 306.406 1.417 20 10 DDCDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841033641 702317562 /nfs/dbraw/zinc/31/75/62/702317562.db2.gz YTVYPLMVCUSRJS-STQMWFEESA-N 0 3 318.421 1.586 20 10 DDCDHN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC[C@@H]1[NH3+] ZINC000843051048 702808454 /nfs/dbraw/zinc/80/84/54/702808454.db2.gz UFLQLAXAAAPHMU-PWSUYJOCSA-N 0 3 309.366 1.868 20 10 DDCDHN CC1(OCC(=O)NCc2ccc(N3CCCC3)cc2)CNC1 ZINC000844173301 702983223 /nfs/dbraw/zinc/98/32/23/702983223.db2.gz SXISGNYHPSWJEU-UHFFFAOYSA-N 0 3 303.406 1.282 20 10 DDCDHN CCOC(=O)CCCNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647901 706749674 /nfs/dbraw/zinc/74/96/74/706749674.db2.gz PWHOVNXFMQVFHZ-GFCCVEGCSA-N 0 3 308.378 1.502 20 10 DDCDHN CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000862551775 705731860 /nfs/dbraw/zinc/73/18/60/705731860.db2.gz PTFLSBUVLZASQH-LLVKDONJSA-N 0 3 316.398 1.293 20 10 DDCDHN CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000862551775 705731863 /nfs/dbraw/zinc/73/18/63/705731863.db2.gz PTFLSBUVLZASQH-LLVKDONJSA-N 0 3 316.398 1.293 20 10 DDCDHN CC(C)CC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000876726772 705842430 /nfs/dbraw/zinc/84/24/30/705842430.db2.gz QHTXCGGJUWVJET-KRWDZBQOSA-N 0 3 319.449 1.903 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2CCC[C@](O)(C[NH+](C)C)C2)c1[O-] ZINC000878867498 706520431 /nfs/dbraw/zinc/52/04/31/706520431.db2.gz GTZXSFNAXDPSRL-KRWDZBQOSA-N 0 3 324.396 1.622 20 10 DDCDHN CO[C@@H]1CCOC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000897888435 708482716 /nfs/dbraw/zinc/48/27/16/708482716.db2.gz AWUSMLCEUXDPBO-QZTJIDSGSA-N 0 3 320.433 1.541 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000886577901 708780364 /nfs/dbraw/zinc/78/03/64/708780364.db2.gz BIMGVJPQXQWHFM-UAGQMJEPSA-N 0 3 317.433 1.072 20 10 DDCDHN CC[C@H](CO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245438 710139767 /nfs/dbraw/zinc/13/97/67/710139767.db2.gz FCLHBGAVJJNEJJ-CZUORRHYSA-N 0 3 307.438 1.490 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)Cn2ccnc2)N(C)C)cc1 ZINC000891247309 710140627 /nfs/dbraw/zinc/14/06/27/710140627.db2.gz IAEDDLGNIBGECN-INIZCTEOSA-N 0 3 315.421 1.368 20 10 DDCDHN COC[C@H](OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248642 710141377 /nfs/dbraw/zinc/14/13/77/710141377.db2.gz ZOHFECLHWRUPMQ-HOTGVXAUSA-N 0 3 323.437 1.133 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H](O)C2CC2)N(C)C)cc1 ZINC000891249702 710141868 /nfs/dbraw/zinc/14/18/68/710141868.db2.gz SEHYZIDRSLWGNH-CVEARBPZSA-N 0 3 305.422 1.242 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccncn2)N(C)C)cc1 ZINC000891249381 710141940 /nfs/dbraw/zinc/14/19/40/710141940.db2.gz RYOTZZQIABPVHA-MRXNPFEDSA-N 0 3 313.405 1.575 20 10 DDCDHN CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(OC)c(OC)c1O ZINC000893335143 710603812 /nfs/dbraw/zinc/60/38/12/710603812.db2.gz OQJYEXSPPJIBCI-GHMZBOCLSA-N 0 3 310.394 1.802 20 10 DDCDHN CC(=O)c1cc(F)cc(CN(C)C2(C[NH3+])CCOCC2)c1[O-] ZINC000903805036 711285751 /nfs/dbraw/zinc/28/57/51/711285751.db2.gz LGFAHRRSXFVIBC-UHFFFAOYSA-N 0 3 310.369 1.674 20 10 DDCDHN COc1ccc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c([O-])c1OC ZINC000895537710 711537122 /nfs/dbraw/zinc/53/71/22/711537122.db2.gz UALXYINBESIMPM-LBPRGKRZSA-N 0 3 308.378 1.462 20 10 DDCDHN COc1ccc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c([O-])c1OC ZINC000895537710 711537124 /nfs/dbraw/zinc/53/71/24/711537124.db2.gz UALXYINBESIMPM-LBPRGKRZSA-N 0 3 308.378 1.462 20 10 DDCDHN CNC(=O)C1(NC/C=C\c2ccc(N(C)C)cc2)CCOCC1 ZINC000895885639 711637816 /nfs/dbraw/zinc/63/78/16/711637816.db2.gz UVRNGUCUSPRXIW-PLNGDYQASA-N 0 3 317.433 1.651 20 10 DDCDHN CON1CC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000905753566 712139274 /nfs/dbraw/zinc/13/92/74/712139274.db2.gz ATOPDOOAKDVIAM-BBRMVZONSA-N 0 3 319.405 1.336 20 10 DDCDHN CC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)N1CCOCC1 ZINC000921822594 713878222 /nfs/dbraw/zinc/87/82/22/713878222.db2.gz VWWVWLHWMNAGQU-MRXNPFEDSA-N 0 3 318.417 1.739 20 10 DDCDHN CCN1CCCC[C@@H]1C(=O)NCCc1cc(O)c(O)cc1O ZINC001181996655 743426380 /nfs/dbraw/zinc/42/63/80/743426380.db2.gz MLVVTROKVKDSFE-GFCCVEGCSA-N 0 3 308.378 1.337 20 10 DDCDHN CC(=O)N1CCC[C@@H](N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001169628053 762551888 /nfs/dbraw/zinc/55/18/88/762551888.db2.gz AFDKWCRXAHLUQD-OAHLLOKOSA-N 0 3 304.390 1.857 20 10 DDCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nncn1C ZINC001177718774 778712080 /nfs/dbraw/zinc/71/20/80/778712080.db2.gz KRQXJVYZWKWZSO-CQSZACIVSA-N 0 3 314.437 1.418 20 10 DDCDHN CN1CCN(C2CCN(C(=O)Nc3ccc(N)cc3)CC2)CC1 ZINC000202035098 839420948 /nfs/dbraw/zinc/42/09/48/839420948.db2.gz MTLYSPUSDBOUCG-UHFFFAOYSA-N 0 3 317.437 1.513 20 10 DDCDHN O=C1N(C2COC2)CCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618661 846415362 /nfs/dbraw/zinc/41/53/62/846415362.db2.gz LSOKHDPPIFLIHJ-UHFFFAOYSA-N 0 3 316.401 1.606 20 10 DDCDHN CN1CCCc2cc(CN3CCN(CC(C)(C)O)CC3)ccc21 ZINC001138359488 860073299 /nfs/dbraw/zinc/07/32/99/860073299.db2.gz BNPNUVRFNMFMIQ-UHFFFAOYSA-N 0 3 317.477 1.958 20 10 DDCDHN CN1CCOc2cc(CN3CC[C@@](C)(CO)[C@H](O)C3)ccc21 ZINC001141141527 860793406 /nfs/dbraw/zinc/79/34/06/860793406.db2.gz ZRANNCMCEFLNDK-SJORKVTESA-N 0 3 306.406 1.080 20 10 DDCDHN CCOC(=O)[C@@H]1CNCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC001326198406 861184565 /nfs/dbraw/zinc/18/45/65/861184565.db2.gz CSHLJRYUHZFUPK-OSJSJHBBSA-N 0 3 317.433 1.603 20 10 DDCDHN NS(=O)(=O)C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320607559 866881372 /nfs/dbraw/zinc/88/13/72/866881372.db2.gz SKHBJNVVBKKUKD-UHFFFAOYSA-N 0 3 323.462 1.540 20 10 DDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCCN1CCO ZINC001325295385 867920638 /nfs/dbraw/zinc/92/06/38/867920638.db2.gz GYPDYPUPHRNJQS-DYLGSBMWSA-N 0 3 320.389 1.074 20 10 DDCDHN COC(=O)[C@@H]1C[C@@H](C(=O)OC)C[NH+](Cc2ccccc2[O-])C1 ZINC001203556092 870639403 /nfs/dbraw/zinc/63/94/03/870639403.db2.gz KDJCSIFPGFHVBL-CHWSQXEVSA-N 0 3 307.346 1.176 20 10 DDCDHN CCNC(=O)COC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204282227 871040133 /nfs/dbraw/zinc/04/01/33/871040133.db2.gz OOKGKNNNOJWDPB-UHFFFAOYSA-N 0 3 308.378 1.215 20 10 DDCDHN [NH3+]C[C@]1(O)CCCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001205726527 871754249 /nfs/dbraw/zinc/75/42/49/871754249.db2.gz UEZXCZKCJCUEIF-CQSZACIVSA-N 0 3 302.777 1.860 20 10 DDCDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CC1)COCCO3)[C@@H](O)CO2 ZINC001353208514 877187790 /nfs/dbraw/zinc/18/77/90/877187790.db2.gz MHHIGXGZSKIZFZ-HNNXBMFYSA-N 0 3 321.373 1.199 20 10 DDCDHN Cc1ccc(C[NH2+]C23CC(C(=O)NCC4COC4)(C2)C3)c([O-])c1 ZINC001277567358 885874018 /nfs/dbraw/zinc/87/40/18/885874018.db2.gz GCXBXWAKBSXEGR-UHFFFAOYSA-N 0 3 316.401 1.476 20 10 DDCDHN CCc1ccc(C[NH+]2CCC3(CC2)COCC(=O)N3)c([O-])c1 ZINC001236784842 889353202 /nfs/dbraw/zinc/35/32/02/889353202.db2.gz BSOUNOSAJXWQIB-UHFFFAOYSA-N 0 3 304.390 1.436 20 10 DDCDHN COc1cc(C)c(CN2CC(N(C)[C@H]3CCOC3)C2)c(O)c1 ZINC001236810929 889366930 /nfs/dbraw/zinc/36/69/30/889366930.db2.gz LDLXYXBZCZDGTC-ZDUSSCGKSA-N 0 3 306.406 1.614 20 10 DDCDHN CC(=O)[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2F)C1 ZINC001236942862 889435286 /nfs/dbraw/zinc/43/52/86/889435286.db2.gz NUNNGLWATMIHJG-HNNXBMFYSA-N 0 3 319.424 1.988 20 10 DDCDHN Cn1ccc(-c2cncc(OCCN3CCCC3)n2)cc1=O ZINC001240978304 891106329 /nfs/dbraw/zinc/10/63/29/891106329.db2.gz SBFUHQSNBYWGJC-UHFFFAOYSA-N 0 3 300.362 1.317 20 10 DDCDHN COC(=O)[C@@H]1C[C@@H](NCc2ccc(N3CCCCC3)cc2)CN1 ZINC001246168812 892459467 /nfs/dbraw/zinc/45/94/67/892459467.db2.gz KWLITLSYUPPXON-WBVHZDCISA-N 0 3 317.433 1.670 20 10 DDCDHN COCCOc1ccc(N2CCN(C[C@H](O)C(C)C)CC2)cc1 ZINC001253768687 896084462 /nfs/dbraw/zinc/08/44/62/896084462.db2.gz WMIRLFYOANUWEF-SFHVURJKSA-N 0 3 322.449 1.851 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@H](CO)C2CCCC2)cc1 ZINC000298020923 282289436 /nfs/dbraw/zinc/28/94/36/282289436.db2.gz BEMMIGXVSZXHIW-QGZVFWFLSA-N 0 3 319.449 1.510 20 10 DDCDHN COc1cccc(CN2CCC[C@@H](N3CCNC3=O)C2)c1O ZINC000092188953 353846595 /nfs/dbraw/zinc/84/65/95/353846595.db2.gz JVURNOQNJARLTE-CYBMUJFWSA-N 0 3 305.378 1.390 20 10 DDCDHN CCOc1cccc(CN2CCc3n[nH]c(=O)cc3C2)c1O ZINC000274913610 130273181 /nfs/dbraw/zinc/27/31/81/130273181.db2.gz KKKRPGAQYNRRBJ-UHFFFAOYSA-N 0 3 301.346 1.433 20 10 DDCDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000285475701 131172503 /nfs/dbraw/zinc/17/25/03/131172503.db2.gz KUUFGNMUXNDZNJ-GXTWGEPZSA-N 0 3 312.435 1.590 20 10 DDCDHN C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000179887976 407838720 /nfs/dbraw/zinc/83/87/20/407838720.db2.gz HNQNTSRSGLGSBW-BXUZGUMPSA-N 0 3 300.362 1.582 20 10 DDCDHN CCOC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121040527 408152640 /nfs/dbraw/zinc/15/26/40/408152640.db2.gz XTEPNDFOQILVQI-HOTGVXAUSA-N 0 3 309.406 1.771 20 10 DDCDHN CCOC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121040527 408152644 /nfs/dbraw/zinc/15/26/44/408152644.db2.gz XTEPNDFOQILVQI-HOTGVXAUSA-N 0 3 309.406 1.771 20 10 DDCDHN CC(C)N(CCN1C(=O)CNC1=O)Cc1ccc(N(C)C)cc1 ZINC000264279170 408423549 /nfs/dbraw/zinc/42/35/49/408423549.db2.gz OHBJMFPGTAGJQV-UHFFFAOYSA-N 0 3 318.421 1.515 20 10 DDCDHN COCCN1CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000264543480 408528391 /nfs/dbraw/zinc/52/83/91/408528391.db2.gz BFQYLKUYNYLPFS-HNNXBMFYSA-N 0 3 320.437 1.273 20 10 DDCDHN CSCC[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000166478329 408816187 /nfs/dbraw/zinc/81/61/87/408816187.db2.gz SHMSRGKFOGKZLD-AWEZNQCLSA-N 0 3 307.463 1.766 20 10 DDCDHN CCCCN(CC(=O)NCCC(=O)OC)Cc1ccccc1O ZINC000282509839 409057070 /nfs/dbraw/zinc/05/70/70/409057070.db2.gz RTVACNHEPXZNEL-UHFFFAOYSA-N 0 3 322.405 1.674 20 10 DDCDHN COC(=O)c1cn(CC[NH2+][C@@H]2CCc3cccc([O-])c32)nn1 ZINC000296614947 409624383 /nfs/dbraw/zinc/62/43/83/409624383.db2.gz YSFWGQHBLDFJIG-LLVKDONJSA-N 0 3 302.334 1.047 20 10 DDCDHN CNC(=O)C[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000299169988 410556695 /nfs/dbraw/zinc/55/66/95/410556695.db2.gz RONPXQQMQXEYPP-GFCCVEGCSA-N 0 3 323.412 1.401 20 10 DDCDHN O=C([C@H]1CCCN1Cc1ccccc1O)N1CCSCC1 ZINC000374256902 418511593 /nfs/dbraw/zinc/51/15/93/418511593.db2.gz BLGFDULFUUCFGN-CQSZACIVSA-N 0 3 306.431 1.932 20 10 DDCDHN COc1ccc([O-])c(C[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000237360403 222207758 /nfs/dbraw/zinc/20/77/58/222207758.db2.gz WLMIAQDXUOOSPH-UHFFFAOYSA-N 0 3 314.389 1.949 20 10 DDCDHN CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000266161860 222360153 /nfs/dbraw/zinc/36/01/53/222360153.db2.gz NXQFHJUZJWQREB-UHFFFAOYSA-N 0 3 315.391 1.424 20 10 DDCDHN C[C@@H](CO)N1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000375485968 418647175 /nfs/dbraw/zinc/64/71/75/418647175.db2.gz RQFJMHBDPZHGGM-BPJJOFIESA-N 0 3 320.389 1.026 20 10 DDCDHN C[C@H](CO)N1CCCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000376416475 418697027 /nfs/dbraw/zinc/69/70/27/418697027.db2.gz SIZAZEQSWBLSQE-CQSZACIVSA-N 0 3 309.429 1.780 20 10 DDCDHN CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1ccccc1[O-] ZINC000527756230 421437370 /nfs/dbraw/zinc/43/73/70/421437370.db2.gz YEGYKYCWUPOYDV-KRWDZBQOSA-N 0 3 306.406 1.098 20 10 DDCDHN CCCOc1ccc(C[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c([O-])c1 ZINC000365653748 520353263 /nfs/dbraw/zinc/35/32/63/520353263.db2.gz FPBOZHHSPLYAAW-DZGCQCFKSA-N 0 3 304.390 1.749 20 10 DDCDHN CCCOc1ccc(C[N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c([O-])c1 ZINC000365653748 520353273 /nfs/dbraw/zinc/35/32/73/520353273.db2.gz FPBOZHHSPLYAAW-DZGCQCFKSA-N 0 3 304.390 1.749 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c1[O-] ZINC000365654545 522537840 /nfs/dbraw/zinc/53/78/40/522537840.db2.gz RHPPZTMMHUFDHX-PWSUYJOCSA-N 0 3 310.781 1.622 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c1[O-] ZINC000365654545 522537847 /nfs/dbraw/zinc/53/78/47/522537847.db2.gz RHPPZTMMHUFDHX-PWSUYJOCSA-N 0 3 310.781 1.622 20 10 DDCDHN COc1cc(O)c(CN2CCC[C@@H](CNC(C)=O)C2)cc1OC ZINC000159986744 522772235 /nfs/dbraw/zinc/77/22/35/522772235.db2.gz UVAPKMOPWICFCQ-ZDUSSCGKSA-N 0 3 322.405 1.758 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1OC ZINC000180560483 522774095 /nfs/dbraw/zinc/77/40/95/522774095.db2.gz SMMMQOBORIBQMX-NSHDSACASA-N 0 3 308.378 1.497 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](CC(N)=O)C2)cc1OC ZINC000180560483 522774105 /nfs/dbraw/zinc/77/41/05/522774105.db2.gz SMMMQOBORIBQMX-NSHDSACASA-N 0 3 308.378 1.497 20 10 DDCDHN Nc1ccc(CC(=O)N2C[C@H](N)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000364209081 527476555 /nfs/dbraw/zinc/47/65/55/527476555.db2.gz NGXDJCAQEPWZEZ-IRXDYDNUSA-N 0 3 313.376 1.904 20 10 DDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@]12CCCO2 ZINC000273628310 535411026 /nfs/dbraw/zinc/41/10/26/535411026.db2.gz SEASISQGJFCAKN-BRWVUGGUSA-N 0 3 321.373 1.937 20 10 DDCDHN CC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)N1CCOCC1 ZINC000297731217 535948213 /nfs/dbraw/zinc/94/82/13/535948213.db2.gz NPFQNBGHNSMZOW-KBPBESRZSA-N 0 3 304.390 1.607 20 10 DDCDHN COc1ccc(O)c(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821838336 606220148 /nfs/dbraw/zinc/22/01/48/606220148.db2.gz LLIXZASFMFBFTK-UHFFFAOYSA-N 0 3 317.374 1.932 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCc2cc(=O)n3nccc3[nH]2)c1 ZINC000182334240 697473630 /nfs/dbraw/zinc/47/36/30/697473630.db2.gz SYVAJKUYPRBGTA-JTQLQIEISA-N 0 3 314.345 1.588 20 10 DDCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)CC(N)=O)c1[O-] ZINC000776251423 698087628 /nfs/dbraw/zinc/08/76/28/698087628.db2.gz WWPBSCSMDGIZLE-ZETCQYMHSA-N 0 3 317.183 1.517 20 10 DDCDHN CCNC(=O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000777444620 698191421 /nfs/dbraw/zinc/19/14/21/698191421.db2.gz PPEUFFXMVSNCOH-UHFFFAOYSA-N 0 3 301.184 1.689 20 10 DDCDHN CCNC(=O)CNCc1cc(Br)cc(C)c1O ZINC000777444620 698191423 /nfs/dbraw/zinc/19/14/23/698191423.db2.gz PPEUFFXMVSNCOH-UHFFFAOYSA-N 0 3 301.184 1.689 20 10 DDCDHN COCCO[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000800850200 700248872 /nfs/dbraw/zinc/24/88/72/700248872.db2.gz NHAKJMSUTFNLOZ-CYBMUJFWSA-N 0 3 309.362 1.748 20 10 DDCDHN C[C@@](O)(CO)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000794747723 699828737 /nfs/dbraw/zinc/82/87/37/699828737.db2.gz FEVNUFQCUIJZIS-INIZCTEOSA-N 0 3 323.393 1.418 20 10 DDCDHN CCCCN(CC(=O)NC(=O)NCC)Cc1ccccc1O ZINC000801595200 700325511 /nfs/dbraw/zinc/32/55/11/700325511.db2.gz JDWSHTCQVGSPKP-UHFFFAOYSA-N 0 3 307.394 1.840 20 10 DDCDHN COc1cc(C)cc(CN2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000754720996 700522210 /nfs/dbraw/zinc/52/22/10/700522210.db2.gz YXXLYXJGPVXDMW-AWEZNQCLSA-N 0 3 304.390 1.952 20 10 DDCDHN C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCN(C)CC2)c2c1c(F)ccc2[O-] ZINC000756491637 700623971 /nfs/dbraw/zinc/62/39/71/700623971.db2.gz WUSXHKXHBRFAAJ-WCQYABFASA-N 0 3 321.396 1.443 20 10 DDCDHN O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc([O-])cs1 ZINC000764833246 700987795 /nfs/dbraw/zinc/98/77/95/700987795.db2.gz OTEXLHRFLZKIOD-KGLIPLIRSA-N 0 3 324.446 1.951 20 10 DDCDHN C[C@@H](N[C@@H]1CCCN(C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000766438336 701050831 /nfs/dbraw/zinc/05/08/31/701050831.db2.gz UKHVGAREUYPFNM-RHSMWYFYSA-N 0 3 317.433 1.795 20 10 DDCDHN C[N@H+](CCc1nccs1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768461950 701179269 /nfs/dbraw/zinc/17/92/69/701179269.db2.gz IAWDCDSIRUOVOU-CYBMUJFWSA-N 0 3 306.387 1.949 20 10 DDCDHN C[N@@H+](CCc1nccs1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768461950 701179271 /nfs/dbraw/zinc/17/92/71/701179271.db2.gz IAWDCDSIRUOVOU-CYBMUJFWSA-N 0 3 306.387 1.949 20 10 DDCDHN CCOC(=O)[C@@H]1NCC[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000817900659 702513281 /nfs/dbraw/zinc/51/32/81/702513281.db2.gz UYDLREGGPJFMKQ-IAGOWNOFSA-N 0 3 317.433 1.670 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CNCCO1 ZINC000842011464 702655224 /nfs/dbraw/zinc/65/52/24/702655224.db2.gz PAXQRERJQLEMGA-INIZCTEOSA-N 0 3 320.437 1.273 20 10 DDCDHN COc1c([O-])c(CN2CC[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000843119357 702822942 /nfs/dbraw/zinc/82/29/42/702822942.db2.gz ZNBKVTVPFTXBDW-INIZCTEOSA-N 0 3 321.377 1.885 20 10 DDCDHN COCCNCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000843486656 702891308 /nfs/dbraw/zinc/89/13/08/702891308.db2.gz ZRSHKBLIBYPGRY-UHFFFAOYSA-N 0 3 307.438 1.726 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000846056222 703231354 /nfs/dbraw/zinc/23/13/54/703231354.db2.gz MLKKXIVNBPHJND-UHFFFAOYSA-N 0 3 302.378 1.905 20 10 DDCDHN COc1ccc(N2CCN(CCCC(=O)N(C)C)CC2)cc1 ZINC000846764811 703327927 /nfs/dbraw/zinc/32/79/27/703327927.db2.gz WECLQRJJLVOLMP-UHFFFAOYSA-N 0 3 305.422 1.686 20 10 DDCDHN COC(=O)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[O-])C(C)C ZINC000879649566 706749677 /nfs/dbraw/zinc/74/96/77/706749677.db2.gz WGKCARRGWIEWDF-ABAIWWIYSA-N 0 3 308.378 1.357 20 10 DDCDHN CC[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(C)cc1[O-] ZINC000850510967 703734633 /nfs/dbraw/zinc/73/46/33/703734633.db2.gz YTGUCVNLFKLFNT-WBVHZDCISA-N 0 3 309.406 1.909 20 10 DDCDHN CN(C)C(=O)N(C)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000853583686 704275542 /nfs/dbraw/zinc/27/55/42/704275542.db2.gz VNLOPRJXSPBFAH-LBPRGKRZSA-N 0 3 321.377 1.309 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000855224248 704473966 /nfs/dbraw/zinc/47/39/66/704473966.db2.gz JHPQIUNQOQXAQP-CQSZACIVSA-N 0 3 317.433 1.874 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@H]2CN(C)CCN2C)cc1F ZINC000858132656 704669285 /nfs/dbraw/zinc/66/92/85/704669285.db2.gz ASMXUSCUAQCSGI-ZDUSSCGKSA-N 0 3 312.408 1.366 20 10 DDCDHN O[C@@]1(C(F)F)CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824726995 705517473 /nfs/dbraw/zinc/51/74/73/705517473.db2.gz ZNFCMMHICPFDMS-INIZCTEOSA-N 0 3 312.360 1.725 20 10 DDCDHN COc1ccc(CN[C@@H](C)C(=O)N2CCCC2)c(O)c1OC ZINC000894232249 711027228 /nfs/dbraw/zinc/02/72/28/711027228.db2.gz VMQSLIMHASZIHE-NSHDSACASA-N 0 3 308.378 1.510 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)c2c(CN)cnn2C)cc1 ZINC000876873953 705900865 /nfs/dbraw/zinc/90/08/65/705900865.db2.gz WCXUYQGUXWZYMS-UHFFFAOYSA-N 0 3 301.394 1.217 20 10 DDCDHN N[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCC1 ZINC000827321615 705974786 /nfs/dbraw/zinc/97/47/86/705974786.db2.gz ZVRKWZHGRYUOIU-INIZCTEOSA-N 0 3 319.474 1.983 20 10 DDCDHN COCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(C)cc1[O-])CC2 ZINC000877095998 705981138 /nfs/dbraw/zinc/98/11/38/705981138.db2.gz VUMKRCAXNTUJFY-ZDUSSCGKSA-N 0 3 302.378 1.543 20 10 DDCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1COC[C@H]1O ZINC000877668310 706174796 /nfs/dbraw/zinc/17/47/96/706174796.db2.gz OMZAISCTACJTOZ-FUHWJXTLSA-N 0 3 315.369 1.821 20 10 DDCDHN CONC(=O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000877786430 706211756 /nfs/dbraw/zinc/21/17/56/706211756.db2.gz HCMCHVXZZUTSMO-UHFFFAOYSA-N 0 3 309.385 1.781 20 10 DDCDHN Cc1cc(=O)c(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c[nH]1 ZINC000832274850 706882941 /nfs/dbraw/zinc/88/29/41/706882941.db2.gz ZWFNGRKCOODXJZ-OAHLLOKOSA-N 0 3 314.389 1.179 20 10 DDCDHN CCO[C@@H]1C[C@](N)(C(=O)NCCc2ccc(N)cc2)C1(C)C ZINC000832658815 706958118 /nfs/dbraw/zinc/95/81/18/706958118.db2.gz CWWHHXNLNHVXRB-PBHICJAKSA-N 0 3 305.422 1.460 20 10 DDCDHN CN(C)C(=O)NCCN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835042991 707161471 /nfs/dbraw/zinc/16/14/71/707161471.db2.gz NVRWJPFPIPGKOT-SREVYHEPSA-N 0 3 304.438 1.969 20 10 DDCDHN CC[C@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000927028343 712932814 /nfs/dbraw/zinc/93/28/14/712932814.db2.gz IMXFRHCBLLONJD-GJZGRUSLSA-N 0 3 314.451 1.199 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1[O-] ZINC000896857802 708166133 /nfs/dbraw/zinc/16/61/33/708166133.db2.gz RYPUVVKWKCYSSK-OSMZGAPFSA-N 0 3 313.781 1.948 20 10 DDCDHN COCC[C@@H](N)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000884198393 708184529 /nfs/dbraw/zinc/18/45/29/708184529.db2.gz UXZAZRHJXKCPOH-MRXNPFEDSA-N 0 3 321.421 1.098 20 10 DDCDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](N)CC3CC3)C2)cc1 ZINC000884368638 708266630 /nfs/dbraw/zinc/26/66/30/708266630.db2.gz CWOCDSUWSGQHOK-YOEHRIQHSA-N 0 3 317.433 1.765 20 10 DDCDHN CN(C)c1cc(F)c(CN[C@@H]2CC[C@@H](O)[C@@H](O)CC2)cc1F ZINC000886261919 708730881 /nfs/dbraw/zinc/73/08/81/708730881.db2.gz GGRNKLOUAFRZTM-XGHVKYEFSA-N 0 3 314.376 1.785 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)NC/C=C/CO)N(C)C)cc1 ZINC000899098838 708982460 /nfs/dbraw/zinc/98/24/60/708982460.db2.gz SYAOGSOCNPFTRW-JFDDCEBESA-N 0 3 320.437 1.203 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC/C=C\CO)N(C)C)cc1 ZINC000899098840 708982578 /nfs/dbraw/zinc/98/25/78/708982578.db2.gz SYAOGSOCNPFTRW-OGZRUICASA-N 0 3 320.437 1.203 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)CC2COC2)N(C)C)cc1 ZINC000891248578 710141170 /nfs/dbraw/zinc/14/11/70/710141170.db2.gz ZENRVZQIZDEWFK-MRXNPFEDSA-N 0 3 305.422 1.508 20 10 DDCDHN Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]n1 ZINC000891251165 710142016 /nfs/dbraw/zinc/14/20/16/710142016.db2.gz AGIRAWYELPDSBI-INIZCTEOSA-N 0 3 315.421 1.817 20 10 DDCDHN C[C@H](CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893105510 710555477 /nfs/dbraw/zinc/55/54/77/710555477.db2.gz UIUWACJLCJTCRV-CJNGLKHVSA-N 0 3 322.453 1.425 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCOC2)N(C)C)cc1 ZINC000893814838 710840322 /nfs/dbraw/zinc/84/03/22/710840322.db2.gz XWSYKKOYDKYZDY-ZBFHGGJFSA-N 0 3 320.437 1.443 20 10 DDCDHN C[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccccc1[O-] ZINC000903396693 711112790 /nfs/dbraw/zinc/11/27/90/711112790.db2.gz MACQBXCPZZKKNM-NEPJUHHUSA-N 0 3 300.362 1.817 20 10 DDCDHN COc1cc(C)cc(CN(CCN(C)C)CC(=O)N(C)C)c1O ZINC000895261315 711469714 /nfs/dbraw/zinc/46/97/14/711469714.db2.gz VFXXTQUXZYGSSG-UHFFFAOYSA-N 0 3 323.437 1.161 20 10 DDCDHN CN(C)S(=O)(=O)C1(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000895811458 711613359 /nfs/dbraw/zinc/61/33/59/711613359.db2.gz DXLWYVPKSSAUIP-UHFFFAOYSA-N 0 3 302.371 1.045 20 10 DDCDHN COCCOC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001193435258 746108042 /nfs/dbraw/zinc/10/80/42/746108042.db2.gz IRRMXKBIHYAGAX-UHFFFAOYSA-N 0 3 308.378 1.729 20 10 DDCDHN CC[NH+](CC)C1CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148583834 773538487 /nfs/dbraw/zinc/53/84/87/773538487.db2.gz CUJOXRZPFBUBQA-UHFFFAOYSA-N 0 3 308.378 1.750 20 10 DDCDHN CN1CCN(c2ccc(CN3C[C@@H](O)C(C)(C)C3)cc2F)CC1 ZINC001116852397 780567893 /nfs/dbraw/zinc/56/78/93/780567893.db2.gz VSTFPVGPQFEBHC-QGZVFWFLSA-N 0 3 321.440 1.780 20 10 DDCDHN C[C@H](CNCCF)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268098065 839686436 /nfs/dbraw/zinc/68/64/36/839686436.db2.gz NUPOJAZBCZNJDF-SNVBAGLBSA-N 0 3 309.345 1.869 20 10 DDCDHN CCOC(=O)C1CN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001139409375 860391146 /nfs/dbraw/zinc/39/11/46/860391146.db2.gz KKEGBHZXOVAFMZ-UHFFFAOYSA-N 0 3 317.433 1.433 20 10 DDCDHN O=C1[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]2CN1CC1CC1 ZINC001140063096 860567307 /nfs/dbraw/zinc/56/73/07/860567307.db2.gz KHRUNBOAJYKONJ-ZFWWWQNUSA-N 0 3 304.365 1.832 20 10 DDCDHN O=C1[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]2CN1CC1CC1 ZINC001140063096 860567314 /nfs/dbraw/zinc/56/73/14/860567314.db2.gz KHRUNBOAJYKONJ-ZFWWWQNUSA-N 0 3 304.365 1.832 20 10 DDCDHN CN1CCOc2cc(CN3CC[C@H](N4CCOCC4)C3)ccc21 ZINC001141142985 860793563 /nfs/dbraw/zinc/79/35/63/860793563.db2.gz IWUPKRCKVJPKCR-INIZCTEOSA-N 0 3 317.433 1.422 20 10 DDCDHN Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@@H+]3Cc2ccccc2[O-])cn1 ZINC001203552366 870636844 /nfs/dbraw/zinc/63/68/44/870636844.db2.gz LEWOYULUYQSBTI-HUUCEWRRSA-N 0 3 312.373 1.506 20 10 DDCDHN Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@H+]3Cc2ccccc2[O-])cn1 ZINC001203552366 870636849 /nfs/dbraw/zinc/63/68/49/870636849.db2.gz LEWOYULUYQSBTI-HUUCEWRRSA-N 0 3 312.373 1.506 20 10 DDCDHN COc1ccc(CN2CCCC[C@@](O)(C[NH3+])C2)c([O-])c1Cl ZINC001205726569 871752040 /nfs/dbraw/zinc/75/20/40/871752040.db2.gz VAURWQFDFFDDDT-OAHLLOKOSA-N 0 3 314.813 1.730 20 10 DDCDHN COc1ccc(O)c(CN2CC3(C2)SCC[C@H]3C(N)=O)c1 ZINC001277464460 884799309 /nfs/dbraw/zinc/79/93/09/884799309.db2.gz WSLGOJOUNANVHS-LBPRGKRZSA-N 0 3 308.403 1.194 20 10 DDCDHN CCN(CC)c1ccc(CN2CC[C@H]3C[C@]32C(N)=O)c(O)c1 ZINC001277533403 885733134 /nfs/dbraw/zinc/73/31/34/885733134.db2.gz HZAMYODPWHEFTJ-SUMWQHHRSA-N 0 3 303.406 1.688 20 10 DDCDHN CN(C)C(=O)c1n[nH]c2c1CN(Cc1cc(O)ccc1O)CC2 ZINC001277660283 886333654 /nfs/dbraw/zinc/33/36/54/886333654.db2.gz SXJOEWNPSYRXJP-UHFFFAOYSA-N 0 3 316.361 1.081 20 10 DDCDHN [O-]c1c(CN2CCNC[C@]23CC[NH2+]C3)cccc1C(F)(F)F ZINC001234992726 888316062 /nfs/dbraw/zinc/31/60/62/888316062.db2.gz SPLSJKKLVAUZLO-CQSZACIVSA-N 0 3 315.339 1.548 20 10 DDCDHN COc1cc([O-])c(CN2C[C@@H]3C[NH2+]C[C@H]32)c(Br)c1 ZINC001236296516 889169522 /nfs/dbraw/zinc/16/95/22/889169522.db2.gz QZTDUNWAVFANKI-QPUJVOFHSA-N 0 3 313.195 1.567 20 10 DDCDHN COc1cc(C)c(CN2CC(N(C)[C@@H]3CCOC3)C2)c(O)c1 ZINC001236810927 889369426 /nfs/dbraw/zinc/36/94/26/889369426.db2.gz LDLXYXBZCZDGTC-CYBMUJFWSA-N 0 3 306.406 1.614 20 10 DDCDHN COC(=O)[C@@H]1CN(Cc2c(C)cc(OC)cc2O)CCCO1 ZINC001236821935 889371388 /nfs/dbraw/zinc/37/13/88/889371388.db2.gz WVIZMMQHZLYJEZ-HNNXBMFYSA-N 0 3 309.362 1.473 20 10 DDCDHN COc1cc(CN2CCO[C@@H](CN(C)C)C2)c(O)c(OC)c1 ZINC001237669875 889793794 /nfs/dbraw/zinc/79/37/94/889793794.db2.gz PMATYTCXMJAJJI-AWEZNQCLSA-N 0 3 310.394 1.172 20 10 DDCDHN COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3cc2[O-])CN1 ZINC001246319872 892537242 /nfs/dbraw/zinc/53/72/42/892537242.db2.gz XFSHEVUHBKRSAY-CABCVRRESA-N 0 3 300.358 1.539 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c([O-])c1 ZINC001249173034 893849055 /nfs/dbraw/zinc/84/90/55/893849055.db2.gz QAUJFPFNIYCPQL-KGLIPLIRSA-N 0 3 311.353 1.403 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)c([O-])c1 ZINC001249173034 893849064 /nfs/dbraw/zinc/84/90/64/893849064.db2.gz QAUJFPFNIYCPQL-KGLIPLIRSA-N 0 3 311.353 1.403 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](C(=O)OC)C2)c([O-])c1 ZINC001249177788 893854056 /nfs/dbraw/zinc/85/40/56/893854056.db2.gz JJFWQHFZVKNJBA-ZDUSSCGKSA-N 0 3 307.346 1.103 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](C(=O)OC)C2)c([O-])c1 ZINC001249177788 893854069 /nfs/dbraw/zinc/85/40/69/893854069.db2.gz JJFWQHFZVKNJBA-ZDUSSCGKSA-N 0 3 307.346 1.103 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H]2CC(=O)OC)c([O-])c1 ZINC001249208624 893865890 /nfs/dbraw/zinc/86/58/90/893865890.db2.gz ZAVKFHAOOMKSSZ-AWEZNQCLSA-N 0 3 321.373 1.635 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)OC)c([O-])c1 ZINC001249208624 893865900 /nfs/dbraw/zinc/86/59/00/893865900.db2.gz ZAVKFHAOOMKSSZ-AWEZNQCLSA-N 0 3 321.373 1.635 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)c([O-])c1 ZINC001249207726 893868313 /nfs/dbraw/zinc/86/83/13/893868313.db2.gz HLAIVPPONHADAN-CQSZACIVSA-N 0 3 305.374 1.909 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](C(C)=O)C2)c([O-])c1 ZINC001249207726 893868321 /nfs/dbraw/zinc/86/83/21/893868321.db2.gz HLAIVPPONHADAN-CQSZACIVSA-N 0 3 305.374 1.909 20 10 DDCDHN COc1ccc(OC[C@@H](O)CNCc2ccc(O)c(O)c2)cc1 ZINC001252737074 895430179 /nfs/dbraw/zinc/43/01/79/895430179.db2.gz JYVVGANEAYESPX-ZDUSSCGKSA-N 0 3 319.357 1.636 20 10 DDCDHN COc1ccc(CN[C@H](CO)CNC(=O)c2ccoc2)cc1C ZINC001283735922 907873816 /nfs/dbraw/zinc/87/38/16/907873816.db2.gz UUGGVXYNBFXYGR-HNNXBMFYSA-N 0 3 318.373 1.477 20 10 DDCDHN COc1cccc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1[O-] ZINC000077458063 353471125 /nfs/dbraw/zinc/47/11/25/353471125.db2.gz HXOZHEVJDBZJFI-QWHCGFSZSA-N 0 3 313.419 1.846 20 10 DDCDHN CCOc1ccc(O)c(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1 ZINC000377837275 223710788 /nfs/dbraw/zinc/71/07/88/223710788.db2.gz KUDMPHAXGLCNII-UXIGCNINSA-N 0 3 304.390 1.890 20 10 DDCDHN CC(=O)N1CCN(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000273393022 130115478 /nfs/dbraw/zinc/11/54/78/130115478.db2.gz LCQSMAXVIJESOK-CQSZACIVSA-N 0 3 305.422 1.515 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)c1 ZINC000273595864 130142219 /nfs/dbraw/zinc/14/22/19/130142219.db2.gz QMQCBQWYDVPPNF-IUODEOHRSA-N 0 3 321.421 1.391 20 10 DDCDHN CN(C)c1ccc2c(c1)OCCN2C[C@@H](O)CN(C)C1CC1 ZINC000289382197 131380610 /nfs/dbraw/zinc/38/06/10/131380610.db2.gz PSJLBYGPHSKUFX-HNNXBMFYSA-N 0 3 305.422 1.407 20 10 DDCDHN CCC[C@@]1(NCC(=O)NCc2ccc(N(C)C)cc2)CCOC1 ZINC000297943655 132041423 /nfs/dbraw/zinc/04/14/23/132041423.db2.gz ANLZQHDZZCCDSS-GOSISDBHSA-N 0 3 319.449 1.918 20 10 DDCDHN COc1cccc(CN2CCCN(c3cccnn3)CC2)c1O ZINC000093150695 407195061 /nfs/dbraw/zinc/19/50/61/407195061.db2.gz ODQHEXSZYUKUOU-UHFFFAOYSA-N 0 3 314.389 1.903 20 10 DDCDHN Cc1ccc(O)c(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000093821325 407202823 /nfs/dbraw/zinc/20/28/23/407202823.db2.gz OMRFXKJPBMQXHU-MRXNPFEDSA-N 0 3 317.433 1.439 20 10 DDCDHN COC(=O)CN1CCCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000121356305 408189837 /nfs/dbraw/zinc/18/98/37/408189837.db2.gz FZPYQMBTZJLSAK-UHFFFAOYSA-N 0 3 305.422 1.433 20 10 DDCDHN C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000183474075 408422230 /nfs/dbraw/zinc/42/22/30/408422230.db2.gz HWMNKHJBOMYTAB-LBPRGKRZSA-N 0 3 312.435 1.714 20 10 DDCDHN CCO[C@H]1C[C@](CO)([NH2+]Cc2cc3c(cc2[O-])OCO3)C1(C)C ZINC000275891563 408712871 /nfs/dbraw/zinc/71/28/71/408712871.db2.gz YGBUIZOXHDYXNV-DOTOQJQBSA-N 0 3 323.389 1.777 20 10 DDCDHN C[C@H](NCCC(=O)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178296688 408799911 /nfs/dbraw/zinc/79/99/11/408799911.db2.gz DFPVIXMJFCASBE-ZDUSSCGKSA-N 0 3 323.412 1.791 20 10 DDCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)N(C)C)c([O-])c1 ZINC000293964439 409216652 /nfs/dbraw/zinc/21/66/52/409216652.db2.gz AIVIGTCMHGMSBD-GFCCVEGCSA-N 0 3 300.424 1.551 20 10 DDCDHN CO[C@H](CN)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000290092199 409300149 /nfs/dbraw/zinc/30/01/49/409300149.db2.gz JLEMXMGMUOAPHF-MRXNPFEDSA-N 0 3 305.422 1.513 20 10 DDCDHN Cc1cc([O-])c(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1C ZINC000289422056 409268701 /nfs/dbraw/zinc/26/87/01/409268701.db2.gz JIEKPJPUUWVDHX-UHFFFAOYSA-N 0 3 317.389 1.525 20 10 DDCDHN CNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000192754017 222134728 /nfs/dbraw/zinc/13/47/28/222134728.db2.gz NKXZTQGOIURCAN-ZDUSSCGKSA-N 0 3 305.422 1.562 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCN(C)CC2)c1 ZINC000192924203 222138362 /nfs/dbraw/zinc/13/83/62/222138362.db2.gz HKKFVTORMYIUMY-CQSZACIVSA-N 0 3 307.438 1.689 20 10 DDCDHN Cc1ccc(O)c([C@H](C)N[C@H]2CCN(c3ccn(C)n3)C2=O)c1 ZINC000368315002 418718897 /nfs/dbraw/zinc/71/88/97/418718897.db2.gz BFPVRHJEXQGBDF-JSGCOSHPSA-N 0 3 314.389 1.890 20 10 DDCDHN CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000529640082 421548196 /nfs/dbraw/zinc/54/81/96/421548196.db2.gz BHMJFWDHNLTRTK-KRWDZBQOSA-N 0 3 324.396 1.237 20 10 DDCDHN C[C@@H](CC(N)=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000267232243 524417062 /nfs/dbraw/zinc/41/70/62/524417062.db2.gz LFPBLBQZLWCMMJ-ZDUSSCGKSA-N 0 3 305.422 1.249 20 10 DDCDHN C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1[O-] ZINC000797117816 699994982 /nfs/dbraw/zinc/99/49/82/699994982.db2.gz NGUZKBCDRNVEGH-STQMWFEESA-N 0 3 312.435 1.857 20 10 DDCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c([O-])c1 ZINC000787424368 699211622 /nfs/dbraw/zinc/21/16/22/699211622.db2.gz RKFFDAGWNBYIPK-PEYYIBSZSA-N 0 3 304.390 1.877 20 10 DDCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c([O-])c1 ZINC000787424368 699211624 /nfs/dbraw/zinc/21/16/24/699211624.db2.gz RKFFDAGWNBYIPK-PEYYIBSZSA-N 0 3 304.390 1.877 20 10 DDCDHN COC(=O)[C@](C)(O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000788018914 699267720 /nfs/dbraw/zinc/26/77/20/699267720.db2.gz GSOKGQOKQLWYSD-RHSMWYFYSA-N 0 3 323.389 1.297 20 10 DDCDHN COC(=O)[C@](C)(O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000788018914 699267724 /nfs/dbraw/zinc/26/77/24/699267724.db2.gz GSOKGQOKQLWYSD-RHSMWYFYSA-N 0 3 323.389 1.297 20 10 DDCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C(=O)N1c1cnn(C)c1 ZINC000742390667 699876638 /nfs/dbraw/zinc/87/66/38/699876638.db2.gz LALWKDNWVCRKAT-SMDDNHRTSA-N 0 3 300.362 1.409 20 10 DDCDHN CC[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1O ZINC000761124554 700845526 /nfs/dbraw/zinc/84/55/26/700845526.db2.gz NFAHOLVLMGJRSM-RDJZCZTQSA-N 0 3 319.449 1.414 20 10 DDCDHN O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc([O-])cs1 ZINC000764833244 700987835 /nfs/dbraw/zinc/98/78/35/700987835.db2.gz OTEXLHRFLZKIOD-KBPBESRZSA-N 0 3 324.446 1.951 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]([C@@H]3CCOC3)C1)[C@H](O)CO2 ZINC000768464021 701179813 /nfs/dbraw/zinc/17/98/13/701179813.db2.gz ZAUWZBWPXBODQM-HWWQOWPSSA-N 0 3 305.374 1.676 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]([C@@H]3CCOC3)C1)[C@H](O)CO2 ZINC000768464021 701179816 /nfs/dbraw/zinc/17/98/16/701179816.db2.gz ZAUWZBWPXBODQM-HWWQOWPSSA-N 0 3 305.374 1.676 20 10 DDCDHN Cn1ccnc1[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464863 701180650 /nfs/dbraw/zinc/18/06/50/701180650.db2.gz FEKCJEWHHXIPCN-IAQYHMDHSA-N 0 3 315.373 1.541 20 10 DDCDHN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464863 701180652 /nfs/dbraw/zinc/18/06/52/701180652.db2.gz FEKCJEWHHXIPCN-IAQYHMDHSA-N 0 3 315.373 1.541 20 10 DDCDHN CCN(C)c1ccc(CN2C[C@H](O)C[C@H](C(=O)OC)C2)cc1 ZINC000830864975 706593841 /nfs/dbraw/zinc/59/38/41/706593841.db2.gz IOGPBEBZKZLJKV-GOEBONIOSA-N 0 3 306.406 1.499 20 10 DDCDHN COC(=O)C[C@@]1(NCc2ccc3c(c2)CCO3)CCCOC1 ZINC000770677659 701289613 /nfs/dbraw/zinc/28/96/13/701289613.db2.gz KOUTXCHCBSRODH-KRWDZBQOSA-N 0 3 305.374 1.823 20 10 DDCDHN CCNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808706089 701532399 /nfs/dbraw/zinc/53/23/99/701532399.db2.gz XOVHPXCPIGBGEW-JTQLQIEISA-N 0 3 320.842 1.944 20 10 DDCDHN CN1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CCC1(C)C ZINC000868297150 702052550 /nfs/dbraw/zinc/05/25/50/702052550.db2.gz GLAKONGDNRVBBJ-UHFFFAOYSA-N 0 3 304.394 1.150 20 10 DDCDHN CCS(=O)(=O)CCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000840974012 702297776 /nfs/dbraw/zinc/29/77/76/702297776.db2.gz ZVKOKBGAZBOZSL-UHFFFAOYSA-N 0 3 321.826 1.969 20 10 DDCDHN CN(C)CCn1nccc1NC(=O)NCCc1ccc(N)cc1 ZINC000841251915 702403264 /nfs/dbraw/zinc/40/32/64/702403264.db2.gz YAYYFKKSYRUFPP-UHFFFAOYSA-N 0 3 316.409 1.391 20 10 DDCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)[C@H](C)CN1CCO ZINC000841892199 702608084 /nfs/dbraw/zinc/60/80/84/702608084.db2.gz UVOCKYOFMWEREO-VXGBXAGGSA-N 0 3 308.378 1.008 20 10 DDCDHN CCN(CC)c1ccc(CN(C)CC(=O)N2CCNCC2)cc1 ZINC000843046816 702807926 /nfs/dbraw/zinc/80/79/26/702807926.db2.gz DGDHCXCVBRKXEZ-UHFFFAOYSA-N 0 3 318.465 1.396 20 10 DDCDHN Cc1cnn(C)c1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406718 703729962 /nfs/dbraw/zinc/72/99/62/703729962.db2.gz QXCXMSQSFDVMDN-UHFFFAOYSA-N 0 3 314.433 1.979 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000852668031 704096977 /nfs/dbraw/zinc/09/69/77/704096977.db2.gz UNQUWXGDHBFULU-CVEARBPZSA-N 0 3 317.433 1.337 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000852760584 704117937 /nfs/dbraw/zinc/11/79/37/704117937.db2.gz IZXBOVISAZGHSC-HZPDHXFCSA-N 0 3 322.428 1.082 20 10 DDCDHN COc1ccc(O)c(CN2CCC[C@@H](NC(=O)N(C)C)C2)c1 ZINC000825278270 705638333 /nfs/dbraw/zinc/63/83/33/705638333.db2.gz AVIKPCHUNDCNQL-CYBMUJFWSA-N 0 3 307.394 1.636 20 10 DDCDHN Cc1cccc(O)c1CN1CCN(Cc2cnn(C)c2)CC1 ZINC000876683976 705818258 /nfs/dbraw/zinc/81/82/58/705818258.db2.gz ZXYSIFNPZILOHI-UHFFFAOYSA-N 0 3 300.406 1.752 20 10 DDCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@]2(OCCO)CCOC2)c1[O-] ZINC000826943734 705896545 /nfs/dbraw/zinc/89/65/45/705896545.db2.gz ZOFZWMQRXCTOPS-HNNXBMFYSA-N 0 3 315.797 1.612 20 10 DDCDHN COC(=O)N1CC(NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877098460 705982705 /nfs/dbraw/zinc/98/27/05/705982705.db2.gz QOFUNYXCDPVBOF-UHFFFAOYSA-N 0 3 319.405 1.188 20 10 DDCDHN CCOc1ccc(O)c(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c1 ZINC000827544672 706023617 /nfs/dbraw/zinc/02/36/17/706023617.db2.gz HXPRGEFWUSAUGW-CQSZACIVSA-N 0 3 321.421 1.979 20 10 DDCDHN COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877481796 706118647 /nfs/dbraw/zinc/11/86/47/706118647.db2.gz SQORWTVPZIKASK-HOCLYGCPSA-N 0 3 309.406 1.546 20 10 DDCDHN COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877481796 706118649 /nfs/dbraw/zinc/11/86/49/706118649.db2.gz SQORWTVPZIKASK-HOCLYGCPSA-N 0 3 309.406 1.546 20 10 DDCDHN CNS(=O)(=O)CCCNCc1cc(F)c(N(C)C)cc1F ZINC000865706086 706500976 /nfs/dbraw/zinc/50/09/76/706500976.db2.gz MAMXXARSCYUCDZ-UHFFFAOYSA-N 0 3 321.393 1.060 20 10 DDCDHN C[C@@H](NS(=O)(=O)CCCN(C)C)c1ccc(N(C)C)cc1 ZINC000867125921 706904281 /nfs/dbraw/zinc/90/42/81/706904281.db2.gz PRKKWFCAEDKJOB-CYBMUJFWSA-N 0 3 313.467 1.685 20 10 DDCDHN CCO[C@@H]1C[C@@](N)(C(=O)NCCc2ccc(N)cc2)C1(C)C ZINC000832658819 706958057 /nfs/dbraw/zinc/95/80/57/706958057.db2.gz CWWHHXNLNHVXRB-RHSMWYFYSA-N 0 3 305.422 1.460 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1[C@@H]3CC[C@H]1CC(CCO)C3)[C@H](O)CO2 ZINC000872758380 707587128 /nfs/dbraw/zinc/58/71/28/707587128.db2.gz TYBITBOXVGXFMS-SHBQMWMOSA-N 0 3 319.401 1.943 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1[C@@H]3CC[C@H]1CC(CCO)C3)[C@H](O)CO2 ZINC000872758380 707587131 /nfs/dbraw/zinc/58/71/31/707587131.db2.gz TYBITBOXVGXFMS-SHBQMWMOSA-N 0 3 319.401 1.943 20 10 DDCDHN CC[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccccc1[O-] ZINC000898330153 708611530 /nfs/dbraw/zinc/61/15/30/708611530.db2.gz OQEYVLHJFPVPHV-ZDUSSCGKSA-N 0 3 303.362 1.786 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)CCF)N(C)C)cc1 ZINC000899101591 708983508 /nfs/dbraw/zinc/98/35/08/708983508.db2.gz IZKCTFCLOGMEBL-HNNXBMFYSA-N 0 3 310.417 1.966 20 10 DDCDHN CCO[C@@H]1C[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256485 710144024 /nfs/dbraw/zinc/14/40/24/710144024.db2.gz YTTJGZVYULJYIJ-BRWVUGGUSA-N 0 3 319.449 1.897 20 10 DDCDHN COc1ccc(CN(CC(N)=O)C2CCCC2)c(O)c1OC ZINC000891596186 710244014 /nfs/dbraw/zinc/24/40/14/710244014.db2.gz OEKGBLDHXQPKIU-UHFFFAOYSA-N 0 3 308.378 1.639 20 10 DDCDHN O=S(=O)(CC[NH2+][C@H]1CCc2cccc([O-])c21)N1CCCC1 ZINC000903291046 711090551 /nfs/dbraw/zinc/09/05/51/711090551.db2.gz MRTUTPZCNRWGEA-ZDUSSCGKSA-N 0 3 310.419 1.395 20 10 DDCDHN CCOc1ccc(C[NH2+][C@H]2CCc3nnn(C)c3C2)c([O-])c1 ZINC000922992133 714206562 /nfs/dbraw/zinc/20/65/62/714206562.db2.gz AAYZGTXFCXHZQI-LBPRGKRZSA-N 0 3 302.378 1.567 20 10 DDCDHN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1NCCF ZINC000939833729 716451431 /nfs/dbraw/zinc/45/14/31/716451431.db2.gz XSWKEPCFYCSSHU-MFKMUULPSA-N 0 3 321.356 1.869 20 10 DDCDHN CN1CCOc2c1cnnc2NCCc1cc(O)c(O)cc1O ZINC001168005303 740533401 /nfs/dbraw/zinc/53/34/01/740533401.db2.gz ABOSFJWMMNGAHZ-UHFFFAOYSA-N 0 3 318.333 1.077 20 10 DDCDHN C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589860 773541665 /nfs/dbraw/zinc/54/16/65/773541665.db2.gz NWNDMTLNJZWEQP-NSHDSACASA-N 0 3 308.378 1.798 20 10 DDCDHN C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589860 773541671 /nfs/dbraw/zinc/54/16/71/773541671.db2.gz NWNDMTLNJZWEQP-NSHDSACASA-N 0 3 308.378 1.798 20 10 DDCDHN CC(C)NC(=O)N1C[C@@H]2CCN(Cc3cc(O)ccc3O)[C@@H]2C1 ZINC001275425348 853103193 /nfs/dbraw/zinc/10/31/93/853103193.db2.gz MWUPMHPAJRYOET-SWLSCSKDSA-N 0 3 319.405 1.722 20 10 DDCDHN Cc1cc(CN2CC(N3CCN(C)CC3)C2)ccc1N(C)C ZINC001139673964 860450123 /nfs/dbraw/zinc/45/01/23/860450123.db2.gz OJGIVLFQYOLTSS-UHFFFAOYSA-N 0 3 302.466 1.493 20 10 DDCDHN OC[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140662015 860669478 /nfs/dbraw/zinc/66/94/78/860669478.db2.gz AZLBUGKCLGNMTM-AWEZNQCLSA-N 0 3 308.397 1.867 20 10 DDCDHN CC[C@H](CO)NCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001332706584 866082324 /nfs/dbraw/zinc/08/23/24/866082324.db2.gz WTGJNZQDSGLKEL-LLVKDONJSA-N 0 3 308.353 1.965 20 10 DDCDHN CN1C[C@@H]2CC[C@H](CC1=O)[N@@H+]2Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001337259601 869405245 /nfs/dbraw/zinc/40/52/45/869405245.db2.gz NTFMLYFGHYOCLQ-TYNCELHUSA-N 0 3 318.373 1.013 20 10 DDCDHN CN1C[C@@H]2CC[C@H](CC1=O)[N@H+]2Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001337259601 869405252 /nfs/dbraw/zinc/40/52/52/869405252.db2.gz NTFMLYFGHYOCLQ-TYNCELHUSA-N 0 3 318.373 1.013 20 10 DDCDHN O=C(c1cccnc1)N1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC001203556749 870639502 /nfs/dbraw/zinc/63/95/02/870639502.db2.gz VZLBAJNSFFJJBS-CALCHBBNSA-N 0 3 323.396 1.991 20 10 DDCDHN O=C(c1cccnc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC001203556749 870639510 /nfs/dbraw/zinc/63/95/10/870639510.db2.gz VZLBAJNSFFJJBS-CALCHBBNSA-N 0 3 323.396 1.991 20 10 DDCDHN CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203629015 870681644 /nfs/dbraw/zinc/68/16/44/870681644.db2.gz NYTANGUMVCNHGA-OAHLLOKOSA-N 0 3 322.405 1.518 20 10 DDCDHN CCNC(=O)CO[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC001203629015 870681647 /nfs/dbraw/zinc/68/16/47/870681647.db2.gz NYTANGUMVCNHGA-OAHLLOKOSA-N 0 3 322.405 1.518 20 10 DDCDHN CCNC(=O)CO[C@@H]1CCCN(Cc2ccc(OC)cc2O)C1 ZINC001203629015 870681651 /nfs/dbraw/zinc/68/16/51/870681651.db2.gz NYTANGUMVCNHGA-OAHLLOKOSA-N 0 3 322.405 1.518 20 10 DDCDHN C[S@](=O)CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC001308276930 871487177 /nfs/dbraw/zinc/48/71/77/871487177.db2.gz AGICERKEMJRNKT-FQEVSTJZSA-N 0 3 300.399 1.130 20 10 DDCDHN CN1C[C@@H](CN(Cc2ccccc2O)C[C@H]2CCCO2)OC1=O ZINC001347643122 874225560 /nfs/dbraw/zinc/22/55/60/874225560.db2.gz PJOPBXKSRYBEQB-CABCVRRESA-N 0 3 320.389 1.824 20 10 DDCDHN CCN1CCN(c2ccc(O[C@@H]3CNCC3(F)F)cc2)CC1 ZINC001218236161 877434305 /nfs/dbraw/zinc/43/43/05/877434305.db2.gz HBTGHMCGSZUWTE-OAHLLOKOSA-N 0 3 311.376 1.814 20 10 DDCDHN C[C@H]1[NH2+]C[C@@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001218385113 877471773 /nfs/dbraw/zinc/47/17/73/877471773.db2.gz RJPOFXIVSMFSPS-OTYXRUKQSA-N 0 3 309.321 1.907 20 10 DDCDHN CN[C@@H](COCc1ccccc1)C(=O)NCc1ccccc1O ZINC001219923433 878596200 /nfs/dbraw/zinc/59/62/00/878596200.db2.gz MVMJHSZGRAFHOL-INIZCTEOSA-N 0 3 314.385 1.813 20 10 DDCDHN NS(=O)(=O)c1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000315409870 879068749 /nfs/dbraw/zinc/06/87/49/879068749.db2.gz HNWMHSHOTYHCDE-UHFFFAOYSA-N 0 3 318.398 1.559 20 10 DDCDHN [O-]c1c(Cl)cccc1CN1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222684848 880650484 /nfs/dbraw/zinc/65/04/84/880650484.db2.gz LPNYBCIUZVENDO-MRXNPFEDSA-N 0 3 309.841 1.963 20 10 DDCDHN [O-]c1c(Cl)cccc1CN1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001222684848 880650487 /nfs/dbraw/zinc/65/04/87/880650487.db2.gz LPNYBCIUZVENDO-MRXNPFEDSA-N 0 3 309.841 1.963 20 10 DDCDHN CCC(=O)N(C)C1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231641093 885780590 /nfs/dbraw/zinc/78/05/90/885780590.db2.gz ZIUDUFHLECRAKY-UHFFFAOYSA-N 0 3 322.405 1.939 20 10 DDCDHN [O-]c1c(C[N@@H+]2C[C@H](O)[C@H](CO)C2)cccc1OC(F)(F)F ZINC001233727297 887254271 /nfs/dbraw/zinc/25/42/71/887254271.db2.gz LQTUBRRFVXZWAU-UWVGGRQHSA-N 0 3 307.268 1.076 20 10 DDCDHN [O-]c1c(C[N@H+]2C[C@H](O)[C@H](CO)C2)cccc1OC(F)(F)F ZINC001233727297 887254290 /nfs/dbraw/zinc/25/42/90/887254290.db2.gz LQTUBRRFVXZWAU-UWVGGRQHSA-N 0 3 307.268 1.076 20 10 DDCDHN CCN1CCN(c2ccc(OC[C@H]3COCCO3)cc2)CC1 ZINC001234658120 888173229 /nfs/dbraw/zinc/17/32/29/888173229.db2.gz UYZYPGWDIHJYET-QGZVFWFLSA-N 0 3 306.406 1.623 20 10 DDCDHN COc1cc([O-])c(CN2CCNC[C@@]23CC[NH2+]C3)cc1Cl ZINC001234988533 888309925 /nfs/dbraw/zinc/30/99/25/888309925.db2.gz MNRNNTCUOFOLHK-HNNXBMFYSA-N 0 3 311.813 1.192 20 10 DDCDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc(F)cc(C)c1[O-])C2 ZINC001238061436 890006491 /nfs/dbraw/zinc/00/64/91/890006491.db2.gz MRLPPFDAZKZXGL-RHSMWYFYSA-N 0 3 322.380 1.567 20 10 DDCDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cc(F)cc(C)c1[O-])C2 ZINC001238061436 890006508 /nfs/dbraw/zinc/00/65/08/890006508.db2.gz MRLPPFDAZKZXGL-RHSMWYFYSA-N 0 3 322.380 1.567 20 10 DDCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NS(=O)(=O)CCN ZINC001238919163 890398870 /nfs/dbraw/zinc/39/88/70/890398870.db2.gz IUTZVJOEUFBWDQ-AWEZNQCLSA-N 0 3 312.435 1.511 20 10 DDCDHN CN(C)c1ccc(CN(C)C[C@@H](O)C(=O)OC(C)(C)C)cc1 ZINC001253687269 895997067 /nfs/dbraw/zinc/99/70/67/895997067.db2.gz ANBGDIYMEMJPNL-OAHLLOKOSA-N 0 3 308.422 1.887 20 10 DDCDHN COc1cccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000105904988 407357556 /nfs/dbraw/zinc/35/75/56/407357556.db2.gz NTRFKISRNDSHDH-CQSZACIVSA-N 0 3 314.389 1.949 20 10 DDCDHN CC[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccccc1[O-] ZINC000186171661 407594336 /nfs/dbraw/zinc/59/43/36/407594336.db2.gz DWGCJXOSYHWCGD-HNNXBMFYSA-N 0 3 305.422 1.597 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c1 ZINC000186511086 407686192 /nfs/dbraw/zinc/68/61/92/407686192.db2.gz OVQGMBZWTNLNDF-JTQLQIEISA-N 0 3 304.350 1.205 20 10 DDCDHN CS(=O)(=O)N[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000116869230 407788792 /nfs/dbraw/zinc/78/87/92/407788792.db2.gz JXLOHLAPBMYEJH-ZDUSSCGKSA-N 0 3 320.414 1.669 20 10 DDCDHN CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000116869230 407788798 /nfs/dbraw/zinc/78/87/98/407788798.db2.gz JXLOHLAPBMYEJH-ZDUSSCGKSA-N 0 3 320.414 1.669 20 10 DDCDHN COc1ccc(O)c(CN2CCCN(c3cccnn3)CC2)c1 ZINC000180077910 407852999 /nfs/dbraw/zinc/85/29/99/407852999.db2.gz ZOALQZHKVNJDFQ-UHFFFAOYSA-N 0 3 314.389 1.903 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000180077910 407853003 /nfs/dbraw/zinc/85/30/03/407853003.db2.gz ZOALQZHKVNJDFQ-UHFFFAOYSA-N 0 3 314.389 1.903 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000180077910 407853006 /nfs/dbraw/zinc/85/30/06/407853006.db2.gz ZOALQZHKVNJDFQ-UHFFFAOYSA-N 0 3 314.389 1.903 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCN(C)CC2)cc1 ZINC000263834278 408279430 /nfs/dbraw/zinc/27/94/30/408279430.db2.gz ARXXUHNFCGACLG-UHFFFAOYSA-N 0 3 318.465 1.349 20 10 DDCDHN CN(C)c1ccc(CNC(=O)N2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000291616128 408895298 /nfs/dbraw/zinc/89/52/98/408895298.db2.gz HZDMJARSHSOLIJ-SFHVURJKSA-N 0 3 316.449 1.990 20 10 DDCDHN COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000278799715 409091040 /nfs/dbraw/zinc/09/10/40/409091040.db2.gz XKFQGOVIYZTSAU-WBVHZDCISA-N 0 3 323.433 1.855 20 10 DDCDHN COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000278799715 409091042 /nfs/dbraw/zinc/09/10/42/409091042.db2.gz XKFQGOVIYZTSAU-WBVHZDCISA-N 0 3 323.433 1.855 20 10 DDCDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)cc1OC ZINC000279769713 409248268 /nfs/dbraw/zinc/24/82/68/409248268.db2.gz KDGKINLOOWHDGN-CYBMUJFWSA-N 0 3 322.405 1.758 20 10 DDCDHN COc1cccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000289716152 409284911 /nfs/dbraw/zinc/28/49/11/409284911.db2.gz PDTHAFKFBLWZSF-ZFWWWQNUSA-N 0 3 306.406 1.696 20 10 DDCDHN COc1cccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000289716152 409284913 /nfs/dbraw/zinc/28/49/13/409284913.db2.gz PDTHAFKFBLWZSF-ZFWWWQNUSA-N 0 3 306.406 1.696 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000295019383 409308666 /nfs/dbraw/zinc/30/86/66/409308666.db2.gz KJMICSDRNUPMMF-GHMZBOCLSA-N 0 3 316.423 1.379 20 10 DDCDHN CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@@H](O)C(F)F ZINC000295082324 409316322 /nfs/dbraw/zinc/31/63/22/409316322.db2.gz QNBNSGQFXCYWCX-TVQRCGJNSA-N 0 3 305.321 1.904 20 10 DDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295152017 409345215 /nfs/dbraw/zinc/34/52/15/409345215.db2.gz REZKNGWYHGXELU-CYBMUJFWSA-N 0 3 310.394 1.710 20 10 DDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295152017 409345218 /nfs/dbraw/zinc/34/52/18/409345218.db2.gz REZKNGWYHGXELU-CYBMUJFWSA-N 0 3 310.394 1.710 20 10 DDCDHN COc1cc(Cl)cc(CN[C@@H]2CCS(=O)(=O)C2)c1O ZINC000228561032 222206112 /nfs/dbraw/zinc/20/61/12/222206112.db2.gz AEOOZFXICJAERO-SNVBAGLBSA-N 0 3 305.783 1.331 20 10 DDCDHN Cc1nc(CN2CCC[C@@H]([NH2+]Cc3cc(F)ccc3[O-])C2)no1 ZINC000368461527 418720684 /nfs/dbraw/zinc/72/06/84/418720684.db2.gz JBGXGUAOOWGNHD-CQSZACIVSA-N 0 3 320.368 1.977 20 10 DDCDHN CN(Cc1ccccc1O)C(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000376242859 418693963 /nfs/dbraw/zinc/69/39/63/418693963.db2.gz YVOORICBXHEQOE-DDUZABMNSA-N 0 3 318.417 1.883 20 10 DDCDHN CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c1[O-] ZINC000370259100 418742558 /nfs/dbraw/zinc/74/25/58/418742558.db2.gz BCTCIJICJIGEOV-CZUORRHYSA-N 0 3 304.390 1.938 20 10 DDCDHN C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccccc1[O-] ZINC000371690467 418809424 /nfs/dbraw/zinc/80/94/24/418809424.db2.gz XMFSHMDTRSKGKN-NVGCLXPQSA-N 0 3 317.389 1.763 20 10 DDCDHN NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000372740087 418898592 /nfs/dbraw/zinc/89/85/92/418898592.db2.gz LTDXIBLRDSZYGO-CYBMUJFWSA-N 0 3 320.414 1.798 20 10 DDCDHN NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000372740087 418898594 /nfs/dbraw/zinc/89/85/94/418898594.db2.gz LTDXIBLRDSZYGO-CYBMUJFWSA-N 0 3 320.414 1.798 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@H](CO)C(C)(C)C)cc1 ZINC000265452435 522191824 /nfs/dbraw/zinc/19/18/24/522191824.db2.gz UODZOXDKMOHELT-OAHLLOKOSA-N 0 3 307.438 1.365 20 10 DDCDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])CC2 ZINC000183617247 523228145 /nfs/dbraw/zinc/22/81/45/523228145.db2.gz PVBMMSYEFSDDLW-RYUDHWBXSA-N 0 3 302.378 1.796 20 10 DDCDHN C[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1CO ZINC000190342631 524280190 /nfs/dbraw/zinc/28/01/90/524280190.db2.gz ZJDUYAYQHMYWAK-WMLDXEAASA-N 0 3 319.449 1.414 20 10 DDCDHN COc1ccc(O)c(CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000180579119 524742240 /nfs/dbraw/zinc/74/22/40/524742240.db2.gz KFBBNTOLPLPRQG-CQSZACIVSA-N 0 3 306.406 1.555 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c1 ZINC000185317553 524773765 /nfs/dbraw/zinc/77/37/65/524773765.db2.gz IRVJSGALXYQYQG-JQWIXIFHSA-N 0 3 302.378 1.966 20 10 DDCDHN C[C@@H](Cn1cncn1)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000164114204 524972086 /nfs/dbraw/zinc/97/20/86/524972086.db2.gz LYMNADXSXSJIFE-GJZGRUSLSA-N 0 3 315.421 1.854 20 10 DDCDHN OCCN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000264775696 527553879 /nfs/dbraw/zinc/55/38/79/527553879.db2.gz LSURWLIHVGOEHF-UHFFFAOYSA-N 0 3 303.450 1.787 20 10 DDCDHN CCOc1ccc(O)c(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1 ZINC000284500765 535752029 /nfs/dbraw/zinc/75/20/29/535752029.db2.gz XPHKYTOMGKMQEO-KBPBESRZSA-N 0 3 308.422 1.678 20 10 DDCDHN CCCN(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000063761572 696330466 /nfs/dbraw/zinc/33/04/66/696330466.db2.gz WIFLRDXKNBLGAU-UHFFFAOYSA-N 0 3 305.422 1.686 20 10 DDCDHN CCCN(CC(=O)N1CCN(C)CC1)Cc1ccccc1O ZINC000093177556 696599475 /nfs/dbraw/zinc/59/94/75/696599475.db2.gz IELXRXYOBAHZCF-UHFFFAOYSA-N 0 3 305.422 1.378 20 10 DDCDHN CCN1CCN(C(=O)[C@H](C)N(C)Cc2ccccc2O)CC1 ZINC000111235941 696643026 /nfs/dbraw/zinc/64/30/26/696643026.db2.gz QOPBUFABRRWRJD-AWEZNQCLSA-N 0 3 305.422 1.377 20 10 DDCDHN CCOc1ccc(O)c(CN2CCN(CC(C)(C)O)CC2)c1 ZINC000130006006 696793634 /nfs/dbraw/zinc/79/36/34/696793634.db2.gz VWFXNGKPYMRNSA-UHFFFAOYSA-N 0 3 308.422 1.679 20 10 DDCDHN COc1cc(O)c(CN2CCN(C(C)(C)CO)CC2)cc1OC ZINC000775702498 698024189 /nfs/dbraw/zinc/02/41/89/698024189.db2.gz ANOPXGAJTQIATL-UHFFFAOYSA-N 0 3 324.421 1.298 20 10 DDCDHN CNS(=O)(=O)C[C@H]1CCCN1Cc1cc2c(cc1O)CCC2 ZINC000749972730 700195805 /nfs/dbraw/zinc/19/58/05/700195805.db2.gz UOYYYKFIGXZPOG-OAHLLOKOSA-N 0 3 324.446 1.395 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)c2c1c(F)ccc2[O-] ZINC000779049324 698392715 /nfs/dbraw/zinc/39/27/15/698392715.db2.gz GQMWHCPALAGXFO-PSASIEDQSA-N 0 3 307.325 1.221 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCCOC3)[C@H](O)CO2 ZINC000789543853 699394139 /nfs/dbraw/zinc/39/41/39/699394139.db2.gz CNNKMLHPOXRODV-NVXWUHKLSA-N 0 3 305.374 1.821 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@]3(C1)CCCOC3)[C@H](O)CO2 ZINC000789543853 699394141 /nfs/dbraw/zinc/39/41/41/699394141.db2.gz CNNKMLHPOXRODV-NVXWUHKLSA-N 0 3 305.374 1.821 20 10 DDCDHN COc1cc(O)c(CNC(C)(C)C(=O)N2CCCC2)cc1OC ZINC000793396953 699753858 /nfs/dbraw/zinc/75/38/58/699753858.db2.gz STSNXAZVHYAMTM-UHFFFAOYSA-N 0 3 322.405 1.900 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+](C[C@H]1CCOC1)C1CC1)[C@@H](O)CO2 ZINC000768440208 701176886 /nfs/dbraw/zinc/17/68/86/701176886.db2.gz UKZXMSJCANVUKX-BZNIZROVSA-N 0 3 305.374 1.819 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+](C[C@H]1CCOC1)C1CC1)[C@@H](O)CO2 ZINC000768440208 701176887 /nfs/dbraw/zinc/17/68/87/701176887.db2.gz UKZXMSJCANVUKX-BZNIZROVSA-N 0 3 305.374 1.819 20 10 DDCDHN COc1cc(C)cc(CN2CC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000840103274 701969684 /nfs/dbraw/zinc/96/96/84/701969684.db2.gz AUFPCVANWKMGGO-CYBMUJFWSA-N 0 3 308.378 1.982 20 10 DDCDHN COCCN1CC[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000868284436 702041935 /nfs/dbraw/zinc/04/19/35/702041935.db2.gz BYTCCIJPJIKISQ-OLZOCXBDSA-N 0 3 307.394 1.473 20 10 DDCDHN C[C@H]1NCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H]1C ZINC000841831179 702575514 /nfs/dbraw/zinc/57/55/14/702575514.db2.gz CPXAWKUKTFMSPJ-HUUCEWRRSA-N 0 3 314.433 1.955 20 10 DDCDHN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CNCCO1 ZINC000842010134 702654759 /nfs/dbraw/zinc/65/47/59/702654759.db2.gz DEWQFZHYSZBBMB-CYBMUJFWSA-N 0 3 319.405 1.059 20 10 DDCDHN CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000866457505 706703145 /nfs/dbraw/zinc/70/31/45/706703145.db2.gz PBHSCDYKEHODKZ-MWLCHTKSSA-N 0 3 316.398 1.609 20 10 DDCDHN [O-]c1ccc(Cl)c(F)c1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843424612 702878856 /nfs/dbraw/zinc/87/88/56/702878856.db2.gz WZDFQBNBSMOTEV-SNVBAGLBSA-N 0 3 300.761 1.436 20 10 DDCDHN [O-]c1ccc(Cl)c(F)c1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000843424612 702878860 /nfs/dbraw/zinc/87/88/60/702878860.db2.gz WZDFQBNBSMOTEV-SNVBAGLBSA-N 0 3 300.761 1.436 20 10 DDCDHN CCOc1ccc(O)c(CN2C[C@H](C(=O)OC)C[C@H](O)C2)c1 ZINC000843433771 702880897 /nfs/dbraw/zinc/88/08/97/702880897.db2.gz COKIDVYKNNDNNI-OLZOCXBDSA-N 0 3 309.362 1.147 20 10 DDCDHN CCn1nncc1CN[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850346264 703725830 /nfs/dbraw/zinc/72/58/30/703725830.db2.gz DKTCLKDKACWPDY-ZDUSSCGKSA-N 0 3 301.394 1.675 20 10 DDCDHN c1cc(N2CCCCC2)ccc1CN1CCOC2(CNC2)C1 ZINC000853248470 704224482 /nfs/dbraw/zinc/22/44/82/704224482.db2.gz AFPVFQWYBLPWLI-UHFFFAOYSA-N 0 3 301.434 1.851 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2C[C@@H]3CN(C(C)=O)C[C@@H]3C2)c1O ZINC000821328884 704391609 /nfs/dbraw/zinc/39/16/09/704391609.db2.gz SCWDFXFVBHQLPG-OKILXGFUSA-N 0 3 320.364 1.644 20 10 DDCDHN CCCN(C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855231124 704474342 /nfs/dbraw/zinc/47/43/42/704474342.db2.gz KIOUPHORKLSOIW-CQSZACIVSA-N 0 3 305.422 1.732 20 10 DDCDHN COc1ccc(N2CCN(C(=O)C(N)C(F)(F)F)CC2)cc1 ZINC000825721638 705721586 /nfs/dbraw/zinc/72/15/86/705721586.db2.gz RAPKJEZHRIHDAG-LBPRGKRZSA-N 0 3 317.311 1.233 20 10 DDCDHN Cc1cccc(O)c1CN1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000877513636 706129343 /nfs/dbraw/zinc/12/93/43/706129343.db2.gz AFACRCGGQFOJGK-ZDUSSCGKSA-N 0 3 312.435 1.556 20 10 DDCDHN CCOc1ccc(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c([O-])c1 ZINC000877668223 706175054 /nfs/dbraw/zinc/17/50/54/706175054.db2.gz HJQNRNGFRIBMGM-IAGOWNOFSA-N 0 3 318.373 1.276 20 10 DDCDHN COc1cc(O)c(CN[C@H]2C[C@@H]3CCCCN3C2=O)cc1OC ZINC000835072239 707167227 /nfs/dbraw/zinc/16/72/27/707167227.db2.gz DCWIVFMUEWXAMR-STQMWFEESA-N 0 3 320.389 1.652 20 10 DDCDHN CCN1CCN([C@@H](C)C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000882890322 707839470 /nfs/dbraw/zinc/83/94/70/707839470.db2.gz VIUIKTBGNBURTL-LBPRGKRZSA-N 0 3 313.392 1.786 20 10 DDCDHN N[C@@H](CC1CC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000884191686 708180557 /nfs/dbraw/zinc/18/05/57/708180557.db2.gz KKRURDFWWHLXNT-INIZCTEOSA-N 0 3 303.406 1.267 20 10 DDCDHN COc1ccc(CN[C@@]2(C)CCNC2=O)cc1Cn1cccn1 ZINC000897867329 708475158 /nfs/dbraw/zinc/47/51/58/708475158.db2.gz QZPHCZORIIJENK-KRWDZBQOSA-N 0 3 314.389 1.308 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CCOC2)N(C)C)cc1 ZINC000891246789 710140603 /nfs/dbraw/zinc/14/06/03/710140603.db2.gz DMONCRJQOFHTGB-FUHWJXTLSA-N 0 3 319.449 1.898 20 10 DDCDHN Cc1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC000891253385 710143404 /nfs/dbraw/zinc/14/34/04/710143404.db2.gz RZSVTADOXPORKJ-MRXNPFEDSA-N 0 3 315.421 1.817 20 10 DDCDHN CCOCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891779158 710292751 /nfs/dbraw/zinc/29/27/51/710292751.db2.gz GCRKYXSMHTYFRZ-INIZCTEOSA-N 0 3 322.453 1.691 20 10 DDCDHN C[NH+](C)CCn1nccc1C(=O)NCc1c([O-])cccc1F ZINC000928705706 713468604 /nfs/dbraw/zinc/46/86/04/713468604.db2.gz LFVQZUGPRAAEQV-UHFFFAOYSA-N 0 3 306.341 1.219 20 10 DDCDHN CN(C)CCn1nccc1C(=O)NCc1c(O)cccc1F ZINC000928705706 713468606 /nfs/dbraw/zinc/46/86/06/713468606.db2.gz LFVQZUGPRAAEQV-UHFFFAOYSA-N 0 3 306.341 1.219 20 10 DDCDHN CCN(CC)c1ccc(CN2C(=O)N[C@@H](CN(C)C)C2=O)cc1 ZINC000924487480 714593379 /nfs/dbraw/zinc/59/33/79/714593379.db2.gz KSUFJGWRUKRFCQ-HNNXBMFYSA-N 0 3 318.421 1.515 20 10 DDCDHN Cc1ccc(CN2C[C@](O)(C(F)(F)F)C[C@H]2CO)c(O)c1 ZINC001140947899 736729310 /nfs/dbraw/zinc/72/93/10/736729310.db2.gz KMPOCYKQLDFDKJ-AAEUAGOBSA-N 0 3 305.296 1.561 20 10 DDCDHN Oc1ccc(CNC(=S)NCCN2CCCCC2)cc1O ZINC001200440649 748233386 /nfs/dbraw/zinc/23/33/86/748233386.db2.gz SHESBARIBSZIPY-UHFFFAOYSA-N 0 3 309.435 1.548 20 10 DDCDHN Cc1noc([C@H]2CN(Cc3c(C)cccc3O)CCN2C)n1 ZINC000585140412 771968641 /nfs/dbraw/zinc/96/86/41/771968641.db2.gz DHJQPCSGMYMWKR-CQSZACIVSA-N 0 3 302.378 1.881 20 10 DDCDHN C[N@H+]1CC[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]2CC1 ZINC001270070062 842269774 /nfs/dbraw/zinc/26/97/74/842269774.db2.gz UCYUSLLQTKTRPY-PHIMTYICSA-N 0 3 306.362 1.217 20 10 DDCDHN C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]2CC1 ZINC001270070062 842269785 /nfs/dbraw/zinc/26/97/85/842269785.db2.gz UCYUSLLQTKTRPY-PHIMTYICSA-N 0 3 306.362 1.217 20 10 DDCDHN O=C(NC1COC1)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618833 846417578 /nfs/dbraw/zinc/41/75/78/846417578.db2.gz PBENRCKHJBVMEQ-HNNXBMFYSA-N 0 3 316.401 1.509 20 10 DDCDHN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(O)cc2[O-])N1C1COC1 ZINC001272989020 847750318 /nfs/dbraw/zinc/75/03/18/847750318.db2.gz YQKWOXRGBQZYNT-HUUCEWRRSA-N 0 3 318.373 1.062 20 10 DDCDHN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(O)cc2[O-])N1C1COC1 ZINC001272989020 847750328 /nfs/dbraw/zinc/75/03/28/847750328.db2.gz YQKWOXRGBQZYNT-HUUCEWRRSA-N 0 3 318.373 1.062 20 10 DDCDHN COc1ccc(C[N@@H+]2CCC[C@@]3(CN(C)CCO3)C2)c([O-])c1 ZINC001275275540 852943965 /nfs/dbraw/zinc/94/39/65/852943965.db2.gz KQBHGEBKVHXZOM-QGZVFWFLSA-N 0 3 306.406 1.697 20 10 DDCDHN COc1ccc(C[N@H+]2CCC[C@@]3(CN(C)CCO3)C2)c([O-])c1 ZINC001275275540 852943975 /nfs/dbraw/zinc/94/39/75/852943975.db2.gz KQBHGEBKVHXZOM-QGZVFWFLSA-N 0 3 306.406 1.697 20 10 DDCDHN CN1CCN(c2ccc(CN3CC[C@@](C)(O)[C@@H](F)C3)cc2)CC1 ZINC001139408323 860389807 /nfs/dbraw/zinc/38/98/07/860389807.db2.gz KDCTYSQOKZBFGH-ZWKOTPCHSA-N 0 3 321.440 1.733 20 10 DDCDHN CCN1CCN(c2ccc(CN3C[C@@H](OC)[C@@H](F)C3)cc2)CC1 ZINC001140302055 860614855 /nfs/dbraw/zinc/61/48/55/860614855.db2.gz IZCWFOFKQQQHAJ-ZWKOTPCHSA-N 0 3 321.440 1.997 20 10 DDCDHN COC(=O)[C@@H]1CCCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140467 860794032 /nfs/dbraw/zinc/79/40/32/860794032.db2.gz MKPQISLPSQMCMP-CQSZACIVSA-N 0 3 304.390 1.900 20 10 DDCDHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CCCO2)cc1C ZINC001320958103 867155097 /nfs/dbraw/zinc/15/50/97/867155097.db2.gz YOVAEERNYAVBQW-IDOMTICXSA-N 0 3 318.417 1.945 20 10 DDCDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[C@@H]1O ZINC001321504959 867635181 /nfs/dbraw/zinc/63/51/81/867635181.db2.gz OLJJORFPAMNIEK-KDOFPFPSSA-N 0 3 321.440 1.780 20 10 DDCDHN [O-]c1ccccc1C[N@H+]1CCc2nnc(Cn3cccn3)n2CC1 ZINC001203556965 870639354 /nfs/dbraw/zinc/63/93/54/870639354.db2.gz YALMVHPKRHGRNW-UHFFFAOYSA-N 0 3 324.388 1.287 20 10 DDCDHN [O-]c1ccccc1C[N@@H+]1CCc2nnc(Cn3cccn3)n2CC1 ZINC001203556965 870639361 /nfs/dbraw/zinc/63/93/61/870639361.db2.gz YALMVHPKRHGRNW-UHFFFAOYSA-N 0 3 324.388 1.287 20 10 DDCDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)c([O-])c1 ZINC001203635438 870688632 /nfs/dbraw/zinc/68/86/32/870688632.db2.gz VAVRVKYHHVUHMI-AWEZNQCLSA-N 0 3 301.346 1.844 20 10 DDCDHN COc1ccc(C[N@H+]2CC[C@H](Oc3ncccn3)C2)c([O-])c1 ZINC001203635438 870688646 /nfs/dbraw/zinc/68/86/46/870688646.db2.gz VAVRVKYHHVUHMI-AWEZNQCLSA-N 0 3 301.346 1.844 20 10 DDCDHN CCOC(=O)[C@@H]1CNCCN1Cc1cc(OCC)ccc1O ZINC001349318138 875110506 /nfs/dbraw/zinc/11/05/06/875110506.db2.gz HBRRWGIZBGBMEW-AWEZNQCLSA-N 0 3 308.378 1.128 20 10 DDCDHN COc1ccc(C[NH+]2CCC(c3nncn3C)CC2)c([O-])c1 ZINC000091795779 875809999 /nfs/dbraw/zinc/80/99/99/875809999.db2.gz YCCJVFZVNRRRBS-UHFFFAOYSA-N 0 3 302.378 1.909 20 10 DDCDHN COc1cc(CN2CCC[C@@H](n3ccnn3)C2)c(O)cc1O ZINC001231639237 885779377 /nfs/dbraw/zinc/77/93/77/885779377.db2.gz GGOUYDMXABRYAT-GFCCVEGCSA-N 0 3 304.350 1.535 20 10 DDCDHN COc1cc(CN2CCC[C@H](n3ccnn3)C2)c(O)cc1O ZINC001231639239 885779763 /nfs/dbraw/zinc/77/97/63/885779763.db2.gz GGOUYDMXABRYAT-LBPRGKRZSA-N 0 3 304.350 1.535 20 10 DDCDHN CN(C)c1ccc(CN2CCN([C@H]3CCOC3)CC2)c(O)c1 ZINC001232834776 886620250 /nfs/dbraw/zinc/62/02/50/886620250.db2.gz MGPOJIODFALCBN-INIZCTEOSA-N 0 3 305.422 1.365 20 10 DDCDHN COC(=O)CO[C@H]1CC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236815396 889368753 /nfs/dbraw/zinc/36/87/53/889368753.db2.gz KWCNPUOKKBTOIY-LBPRGKRZSA-N 0 3 309.362 1.473 20 10 DDCDHN COC(=O)CO[C@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236815396 889368764 /nfs/dbraw/zinc/36/87/64/889368764.db2.gz KWCNPUOKKBTOIY-LBPRGKRZSA-N 0 3 309.362 1.473 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@]1(F)CCNC1 ZINC000361956841 529988666 /nfs/dbraw/zinc/98/86/66/529988666.db2.gz MZQGWLTTZMTDBZ-KRWDZBQOSA-N 0 3 321.396 1.183 20 10 DDCDHN COc1ccc(N2CCC(N(C)CC(=O)NC3CC3)CC2)cc1 ZINC000072801257 353215976 /nfs/dbraw/zinc/21/59/76/353215976.db2.gz FEPNKPAJCFLXDJ-UHFFFAOYSA-N 0 3 317.433 1.874 20 10 DDCDHN CCCOc1ccc(C[NH2+]CCN2CCCOCC2)c([O-])c1 ZINC000289429231 131385461 /nfs/dbraw/zinc/38/54/61/131385461.db2.gz KKKKFMVZUKWOKO-UHFFFAOYSA-N 0 3 308.422 1.993 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC(C)(C)C1)cc2=O ZINC000072828182 406887182 /nfs/dbraw/zinc/88/71/82/406887182.db2.gz IRCOFZPHDZQYSX-UHFFFAOYSA-N 0 3 318.377 1.844 20 10 DDCDHN Cc1cc([O-])c(C[NH+]2CCC(N3CCNC3=O)CC2)cc1C ZINC000054566710 407186864 /nfs/dbraw/zinc/18/68/64/407186864.db2.gz KCDSVIRTEXBUKW-UHFFFAOYSA-N 0 3 303.406 1.999 20 10 DDCDHN CN(C)c1ccc(CNC(=O)N(C)CCN(C)C2CC2)cc1 ZINC000185981065 407557446 /nfs/dbraw/zinc/55/74/46/407557446.db2.gz BNTINMKIUSSGTP-UHFFFAOYSA-N 0 3 304.438 1.988 20 10 DDCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000183449057 408412713 /nfs/dbraw/zinc/41/27/13/408412713.db2.gz FDIRXUYUBHVFGY-VIFPVBQESA-N 0 3 313.195 1.770 20 10 DDCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000183449057 408412720 /nfs/dbraw/zinc/41/27/20/408412720.db2.gz FDIRXUYUBHVFGY-VIFPVBQESA-N 0 3 313.195 1.770 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](C)[C@@H]1C)cc2=O ZINC000177909186 408735480 /nfs/dbraw/zinc/73/54/80/408735480.db2.gz AXBNHDYPKPHJCX-QWRGUYRKSA-N 0 3 318.377 1.842 20 10 DDCDHN CCOCc1cc(CN[C@H]2C(=O)NCC[C@@H]2C)ccc1OC ZINC000193684220 408737975 /nfs/dbraw/zinc/73/79/75/408737975.db2.gz FSJFEQYWVGBUSS-BLLLJJGKSA-N 0 3 306.406 1.846 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)c1 ZINC000185364310 408801185 /nfs/dbraw/zinc/80/11/85/408801185.db2.gz KWOKKNSHVGXKJV-KBPBESRZSA-N 0 3 307.438 1.687 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000294931773 409306477 /nfs/dbraw/zinc/30/64/77/409306477.db2.gz BQLFIGKIQQBPOV-LBPRGKRZSA-N 0 3 320.842 1.771 20 10 DDCDHN COC1CCN(c2ccc(CN(C)CCOCCO)cc2)CC1 ZINC000295139789 409340063 /nfs/dbraw/zinc/34/00/63/409340063.db2.gz DPNSMWDACCAHGT-UHFFFAOYSA-N 0 3 322.449 1.743 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000368051959 418680057 /nfs/dbraw/zinc/68/00/57/418680057.db2.gz RHMMVXDAFDKMIV-MLGOLLRUSA-N 0 3 303.362 1.517 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000368051959 418680059 /nfs/dbraw/zinc/68/00/59/418680059.db2.gz RHMMVXDAFDKMIV-MLGOLLRUSA-N 0 3 303.362 1.517 20 10 DDCDHN COc1ccc(O)c(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000362048905 418744973 /nfs/dbraw/zinc/74/49/73/418744973.db2.gz XWMVZXZHFFJXHP-NVXWUHKLSA-N 0 3 306.406 1.432 20 10 DDCDHN COc1ccc(N2CCC(N(C)C(=O)C3(N)CC3)CC2)cc1 ZINC000370768118 418748039 /nfs/dbraw/zinc/74/80/39/418748039.db2.gz YFAOSJIIVNPPPV-UHFFFAOYSA-N 0 3 303.406 1.614 20 10 DDCDHN COc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000362333473 418752279 /nfs/dbraw/zinc/75/22/79/418752279.db2.gz DBIHNKMCWGYSNB-KBPBESRZSA-N 0 3 304.390 1.891 20 10 DDCDHN COc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000362333473 418752282 /nfs/dbraw/zinc/75/22/82/418752282.db2.gz DBIHNKMCWGYSNB-KBPBESRZSA-N 0 3 304.390 1.891 20 10 DDCDHN Cn1ccnc1[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000372886505 418912249 /nfs/dbraw/zinc/91/22/49/418912249.db2.gz YBTLSHZSGXQKPH-NSHDSACASA-N 0 3 301.346 1.844 20 10 DDCDHN Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000372886505 418912250 /nfs/dbraw/zinc/91/22/50/418912250.db2.gz YBTLSHZSGXQKPH-NSHDSACASA-N 0 3 301.346 1.844 20 10 DDCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CNCCO1 ZINC000570618346 421656753 /nfs/dbraw/zinc/65/67/53/421656753.db2.gz GQSUEWWYPVZYGM-CYBMUJFWSA-N 0 3 316.405 1.274 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000363766558 332244022 /nfs/dbraw/zinc/24/40/22/332244022.db2.gz IHMKXNQHDKIEHS-ZIAGYGMSSA-N 0 3 306.406 1.868 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000363766558 332244023 /nfs/dbraw/zinc/24/40/23/332244023.db2.gz IHMKXNQHDKIEHS-ZIAGYGMSSA-N 0 3 306.406 1.868 20 10 DDCDHN CCN(C)C(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000181264069 520176085 /nfs/dbraw/zinc/17/60/85/520176085.db2.gz ULJVSEFALNZEPE-AWEZNQCLSA-N 0 3 305.422 1.652 20 10 DDCDHN C[C@@H](N)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237315873 524991538 /nfs/dbraw/zinc/99/15/38/524991538.db2.gz CTHDIXHFYYBRRQ-MNOVXSKESA-N 0 3 313.348 1.720 20 10 DDCDHN C[C@H](N[C@H]1CCN(C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000116390084 696667928 /nfs/dbraw/zinc/66/79/28/696667928.db2.gz IQZRPMKCUPUCIS-BBRMVZONSA-N 0 3 303.406 1.405 20 10 DDCDHN CN(CCn1cccn1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000125282488 696751628 /nfs/dbraw/zinc/75/16/28/696751628.db2.gz VRZIMJBDURJSOS-UHFFFAOYSA-N 0 3 318.396 1.991 20 10 DDCDHN CN(C)c1ccc(CN2CCN(CC(C)(C)O)CC2)cc1F ZINC000129968334 696793478 /nfs/dbraw/zinc/79/34/78/696793478.db2.gz KYEYXLKTYXLTSN-UHFFFAOYSA-N 0 3 309.429 1.780 20 10 DDCDHN CN(C)c1ccc(CN2CCN(CCO)C(C)(C)C2)cc1F ZINC000783713718 698869432 /nfs/dbraw/zinc/86/94/32/698869432.db2.gz FKCRSKGQFYIFQC-UHFFFAOYSA-N 0 3 309.429 1.780 20 10 DDCDHN CCOc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)c([O-])c1 ZINC000793282269 699746528 /nfs/dbraw/zinc/74/65/28/699746528.db2.gz VWJSXDQRAIBDBG-UHFFFAOYSA-N 0 3 313.419 1.848 20 10 DDCDHN Oc1cc2c(cc1CN1CC[C@H](OC(F)F)C1)[C@@H](O)CO2 ZINC000802747375 700423823 /nfs/dbraw/zinc/42/38/23/700423823.db2.gz KLDWTHKPTFELCS-CABZTGNLSA-N 0 3 301.289 1.632 20 10 DDCDHN CCN(C)c1ccc(CN2C[C@@H](O)C[C@H](C(=O)OC)C2)cc1 ZINC000830864976 706593748 /nfs/dbraw/zinc/59/37/48/706593748.db2.gz IOGPBEBZKZLJKV-HOCLYGCPSA-N 0 3 306.406 1.499 20 10 DDCDHN CCOc1ccc(C[NH2+]C(C)(C)CN2CCOCC2)c([O-])c1 ZINC000840962170 702294746 /nfs/dbraw/zinc/29/47/46/702294746.db2.gz GIZCCAXSONFPIL-UHFFFAOYSA-N 0 3 308.422 1.991 20 10 DDCDHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841007103 702308483 /nfs/dbraw/zinc/30/84/83/702308483.db2.gz LKSQNUQGRGNSOB-LBPRGKRZSA-N 0 3 304.394 1.055 20 10 DDCDHN C[C@H]1NCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000841759450 702557522 /nfs/dbraw/zinc/55/75/22/702557522.db2.gz GANKAHPCYQZWRF-NEPJUHHUSA-N 0 3 308.401 1.784 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000841826675 702574000 /nfs/dbraw/zinc/57/40/00/702574000.db2.gz HWXBMYLNUFFDPF-ZIAGYGMSSA-N 0 3 304.438 1.953 20 10 DDCDHN Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1[O-] ZINC000843121927 702823765 /nfs/dbraw/zinc/82/37/65/702823765.db2.gz LHYNDBNTWFNIJN-CYBMUJFWSA-N 0 3 306.797 1.926 20 10 DDCDHN COC[C@H](C)NC(=[NH2+])NCc1cc(Br)ccc1[O-] ZINC000849027893 703612589 /nfs/dbraw/zinc/61/25/89/703612589.db2.gz PDIYICBTHDUFOO-QMMMGPOBSA-N 0 3 316.199 1.804 20 10 DDCDHN CCOc1ccc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)c([O-])c1 ZINC000850369305 703727959 /nfs/dbraw/zinc/72/79/59/703727959.db2.gz UQEBIHNDYDMHKR-AAEUAGOBSA-N 0 3 313.419 1.846 20 10 DDCDHN COCCN(C[C@@H]1CNCCO1)c1ccc(OC)c(OC)c1 ZINC000852746966 704112604 /nfs/dbraw/zinc/11/26/04/704112604.db2.gz VSSIUTJCAJJCEE-AWEZNQCLSA-N 0 3 310.394 1.145 20 10 DDCDHN CCOc1ccc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)c([O-])c1 ZINC000858224396 704681348 /nfs/dbraw/zinc/68/13/48/704681348.db2.gz FANYPXWCUYWQLZ-HNNXBMFYSA-N 0 3 321.421 1.220 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CCC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000822520722 704966552 /nfs/dbraw/zinc/96/65/52/704966552.db2.gz NKDXQKAQMLSEJT-SMDDNHRTSA-N 0 3 321.377 1.835 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CCC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000822520722 704966556 /nfs/dbraw/zinc/96/65/56/704966556.db2.gz NKDXQKAQMLSEJT-SMDDNHRTSA-N 0 3 321.377 1.835 20 10 DDCDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1Cc2cccc(O)c2C1 ZINC000875236223 705324425 /nfs/dbraw/zinc/32/44/25/705324425.db2.gz BMQSOZFSYZRJJJ-UONOGXRCSA-N 0 3 317.389 1.281 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCOC[C@H]2O)c1[O-] ZINC000862531208 705727022 /nfs/dbraw/zinc/72/70/22/705727022.db2.gz DDYIASVAIZSWRV-VXGBXAGGSA-N 0 3 316.195 1.703 20 10 DDCDHN CNC(=O)CCOC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876799676 705881631 /nfs/dbraw/zinc/88/16/31/705881631.db2.gz JDJCSIQJASWKSH-UHFFFAOYSA-N 0 3 306.406 1.818 20 10 DDCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H](O)C(F)(F)F ZINC000865711837 706503370 /nfs/dbraw/zinc/50/33/70/706503370.db2.gz RTDNGBUNFOJDNN-FZMZJTMJSA-N 0 3 318.339 1.925 20 10 DDCDHN COc1cc(O)c(CN[C@@H]2C[C@@H]3CCCCN3C2=O)cc1OC ZINC000835072238 707167147 /nfs/dbraw/zinc/16/71/47/707167147.db2.gz DCWIVFMUEWXAMR-QWHCGFSZSA-N 0 3 320.389 1.652 20 10 DDCDHN CCOc1cccc(CN2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000897619375 708396368 /nfs/dbraw/zinc/39/63/68/708396368.db2.gz UWUQQKMGZXSRNF-BETUJISGSA-N 0 3 311.403 1.267 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H](O)C(C)(C)C)N(C)C)cc1 ZINC000891250161 710141883 /nfs/dbraw/zinc/14/18/83/710141883.db2.gz ZSHOKEQVKAYRDS-HZPDHXFCSA-N 0 3 321.465 1.879 20 10 DDCDHN CC[C@@](C)(O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891257596 710144522 /nfs/dbraw/zinc/14/45/22/710144522.db2.gz IXFMSXXYZFAGPS-DOTOQJQBSA-N 0 3 307.438 1.633 20 10 DDCDHN COCCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891432067 710199994 /nfs/dbraw/zinc/19/99/94/710199994.db2.gz XXJXBFFQCUIGRR-INIZCTEOSA-N 0 3 322.453 1.691 20 10 DDCDHN C[C@H]1C[C@@H]([NH2+]CCCc2nnnn2C)c2c1c(F)ccc2[O-] ZINC000903348888 711100090 /nfs/dbraw/zinc/10/00/90/711100090.db2.gz NPBJHSCZOLNFHE-GXSJLCMTSA-N 0 3 305.357 1.826 20 10 DDCDHN Cc1cc(N)nc(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000894612661 711215245 /nfs/dbraw/zinc/21/52/45/711215245.db2.gz KXKHOCYVRJHZQP-UHFFFAOYSA-N 0 3 313.405 1.940 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN[C@H]1C(=O)NCC12CCOCC2 ZINC000895768632 711600530 /nfs/dbraw/zinc/60/05/30/711600530.db2.gz JEGNJXHYZQOEGV-INIZCTEOSA-N 0 3 317.433 1.446 20 10 DDCDHN CC(=O)N[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000153862495 744122020 /nfs/dbraw/zinc/12/20/20/744122020.db2.gz IXKCHYBMUSKCST-QGZVFWFLSA-N 0 3 317.433 1.624 20 10 DDCDHN Oc1ccccc1CN1C[C@@H]2OCCN(Cc3cn[nH]c3)[C@H]2C1 ZINC001275267030 852940579 /nfs/dbraw/zinc/94/05/79/852940579.db2.gz JLPFEPBADYGZMZ-RDJZCZTQSA-N 0 3 314.389 1.201 20 10 DDCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2OCCN(Cc3cn[nH]c3)[C@H]2C1 ZINC001275267030 852940582 /nfs/dbraw/zinc/94/05/82/852940582.db2.gz JLPFEPBADYGZMZ-RDJZCZTQSA-N 0 3 314.389 1.201 20 10 DDCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2OCCN(Cc3cn[nH]c3)[C@H]2C1 ZINC001275267030 852940586 /nfs/dbraw/zinc/94/05/86/852940586.db2.gz JLPFEPBADYGZMZ-RDJZCZTQSA-N 0 3 314.389 1.201 20 10 DDCDHN COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[O-] ZINC001275267371 852940939 /nfs/dbraw/zinc/94/09/39/852940939.db2.gz MGCZZYRFECOQEZ-IYBDPMFKSA-N 0 3 306.406 1.661 20 10 DDCDHN COCCOCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[O-] ZINC001275267371 852940946 /nfs/dbraw/zinc/94/09/46/852940946.db2.gz MGCZZYRFECOQEZ-IYBDPMFKSA-N 0 3 306.406 1.661 20 10 DDCDHN COCCOCN1CCC2(C[NH+](Cc3c([O-])cccc3F)C2)C1 ZINC001276360342 855723925 /nfs/dbraw/zinc/72/39/25/855723925.db2.gz RPBLKKNNJISCMM-UHFFFAOYSA-N 0 3 324.396 1.660 20 10 DDCDHN CNC(=O)N[C@H]1CCCN(Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359165 860073259 /nfs/dbraw/zinc/07/32/59/860073259.db2.gz LRMQAWNBQNOYKM-INIZCTEOSA-N 0 3 316.449 1.962 20 10 DDCDHN CCN1CCC2(CCN(Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001203881420 870816455 /nfs/dbraw/zinc/81/64/55/870816455.db2.gz PWGOUSRUDPIVJM-UHFFFAOYSA-N 0 3 304.390 1.932 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC001341012421 871464120 /nfs/dbraw/zinc/46/41/20/871464120.db2.gz XYJRRQKOGQFSAQ-GFCCVEGCSA-N 0 3 318.352 1.582 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2occc2N)N(C)C)cc1 ZINC001355641493 878657215 /nfs/dbraw/zinc/65/72/15/878657215.db2.gz VJMDQDPTGUIJKG-OAHLLOKOSA-N 0 3 316.405 1.961 20 10 DDCDHN Cc1ccc(CN2CC3(C[C@@H]3C(=O)Nc3cn[nH]c3)C2)c(O)c1 ZINC001277560022 885846918 /nfs/dbraw/zinc/84/69/18/885846918.db2.gz OLCLZQOAFQFVLM-CQSZACIVSA-N 0 3 312.373 1.884 20 10 DDCDHN CCN(CCC(N)=O)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232405191 886337908 /nfs/dbraw/zinc/33/79/08/886337908.db2.gz GXXQEDJBMPZYJU-UHFFFAOYSA-N 0 3 317.389 1.662 20 10 DDCDHN CCCCOC(=O)[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233487756 887022503 /nfs/dbraw/zinc/02/25/03/887022503.db2.gz RCYSPPCDURQVLR-LLVKDONJSA-N 0 3 309.362 1.969 20 10 DDCDHN CN1CCN(c2ccc(CN3C[C@@H]4CCO[C@@H]4C3)c(F)c2)CC1 ZINC001236941572 889435464 /nfs/dbraw/zinc/43/54/64/889435464.db2.gz CTCKLKNISDYZSU-MAUKXSAKSA-N 0 3 319.424 1.798 20 10 DDCDHN COCC(=O)NC1CCN(Cc2cc(F)cc(C)c2O)CC1 ZINC001238061278 890007731 /nfs/dbraw/zinc/00/77/31/890007731.db2.gz FTVSJVNGGVFBDK-UHFFFAOYSA-N 0 3 310.369 1.567 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c([O-])c1 ZINC001249224059 893879397 /nfs/dbraw/zinc/87/93/97/893879397.db2.gz RZYPPLMITXCKDQ-HIFRSBDPSA-N 0 3 317.385 1.909 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c([O-])c1 ZINC001249224059 893879425 /nfs/dbraw/zinc/87/94/25/893879425.db2.gz RZYPPLMITXCKDQ-HIFRSBDPSA-N 0 3 317.385 1.909 20 10 DDCDHN COc1cccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000092070558 193152384 /nfs/dbraw/zinc/15/23/84/193152384.db2.gz AHJVFCCWVBNLEZ-CYBMUJFWSA-N 0 3 302.378 1.905 20 10 DDCDHN COc1cccc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000092070558 193152386 /nfs/dbraw/zinc/15/23/86/193152386.db2.gz AHJVFCCWVBNLEZ-CYBMUJFWSA-N 0 3 302.378 1.905 20 10 DDCDHN CCN(CCC[NH2+][C@H](C)c1ccccc1[O-])S(C)(=O)=O ZINC000038035432 182974913 /nfs/dbraw/zinc/97/49/13/182974913.db2.gz XASUPGMCXQEXBZ-GFCCVEGCSA-N 0 3 300.424 1.714 20 10 DDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1C ZINC000271190323 407567952 /nfs/dbraw/zinc/56/79/52/407567952.db2.gz PFMITKKLKRTKDO-CYBMUJFWSA-N 0 3 312.435 1.510 20 10 DDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1C ZINC000271190323 407567957 /nfs/dbraw/zinc/56/79/57/407567957.db2.gz PFMITKKLKRTKDO-CYBMUJFWSA-N 0 3 312.435 1.510 20 10 DDCDHN C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(F)ccc1[O-] ZINC000273604111 408262629 /nfs/dbraw/zinc/26/26/29/408262629.db2.gz SRUBREFITRECOW-ZYHUDNBSSA-N 0 3 316.398 1.606 20 10 DDCDHN COc1cc([O-])c(C[NH2+]CCc2nnc(C)s2)cc1OC ZINC000291651168 408901686 /nfs/dbraw/zinc/90/16/86/408901686.db2.gz UPNYKTVVPAWGCM-UHFFFAOYSA-N 0 3 309.391 1.902 20 10 DDCDHN CCCCN(CCNS(C)(=O)=O)Cc1ccccc1O ZINC000282359050 409039987 /nfs/dbraw/zinc/03/99/87/409039987.db2.gz DCEVPFRKXBINKW-UHFFFAOYSA-N 0 3 300.424 1.544 20 10 DDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1C ZINC000293732889 409170814 /nfs/dbraw/zinc/17/08/14/409170814.db2.gz UZDYLDPFKVLYDF-INIZCTEOSA-N 0 3 316.405 1.930 20 10 DDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1C ZINC000293732889 409170816 /nfs/dbraw/zinc/17/08/16/409170816.db2.gz UZDYLDPFKVLYDF-INIZCTEOSA-N 0 3 316.405 1.930 20 10 DDCDHN O=S1(=O)CCC[C@@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000290081669 409297572 /nfs/dbraw/zinc/29/75/72/409297572.db2.gz IWZPRLAQSNUPNF-JTQLQIEISA-N 0 3 313.375 1.035 20 10 DDCDHN CN(C)c1ccc(CNCC2(CO)COC2)c(C(F)(F)F)c1 ZINC000280460206 409315944 /nfs/dbraw/zinc/31/59/44/409315944.db2.gz ZTPPFHLSAFVOEL-UHFFFAOYSA-N 0 3 318.339 1.870 20 10 DDCDHN CC[C@@H](C)N(CCO)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298458118 410238267 /nfs/dbraw/zinc/23/82/67/410238267.db2.gz HYFZGHRQPPDHKZ-CQSZACIVSA-N 0 3 307.438 1.462 20 10 DDCDHN Cc1cccc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1[O-] ZINC000361027514 418568363 /nfs/dbraw/zinc/56/83/63/418568363.db2.gz FISJZXBSGWPCSS-QGZVFWFLSA-N 0 3 317.389 1.511 20 10 DDCDHN Cc1ccc(O)c([C@H](C)N[C@@H]2CCN(c3ccn(C)n3)C2=O)c1 ZINC000368315000 418718803 /nfs/dbraw/zinc/71/88/03/418718803.db2.gz BFPVRHJEXQGBDF-GXTWGEPZSA-N 0 3 314.389 1.890 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCCN(c3ccncn3)C2)c1 ZINC000378453776 418723619 /nfs/dbraw/zinc/72/36/19/418723619.db2.gz JIBYHSAQRBQIGJ-AWEZNQCLSA-N 0 3 314.389 1.949 20 10 DDCDHN Cc1ccc(O)c(CN2CCCN(CC(=O)NC(C)C)CC2)c1 ZINC000372392078 418864147 /nfs/dbraw/zinc/86/41/47/418864147.db2.gz SYMDZFRPIQUIDW-UHFFFAOYSA-N 0 3 319.449 1.733 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+]2CCCN(CC(=O)NC(C)C)CC2)c1 ZINC000372392078 418864151 /nfs/dbraw/zinc/86/41/51/418864151.db2.gz SYMDZFRPIQUIDW-UHFFFAOYSA-N 0 3 319.449 1.733 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+]2CCCN(CC(=O)NC(C)C)CC2)c1 ZINC000372392078 418864154 /nfs/dbraw/zinc/86/41/54/418864154.db2.gz SYMDZFRPIQUIDW-UHFFFAOYSA-N 0 3 319.449 1.733 20 10 DDCDHN C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccccc1[O-] ZINC000527944655 421458696 /nfs/dbraw/zinc/45/86/96/421458696.db2.gz AXWDFBRPQMGBBT-KBXCAEBGSA-N 0 3 320.433 1.659 20 10 DDCDHN COc1cccc(CN[C@@H]2CCN(c3ccn(C)n3)C2=O)c1O ZINC000360094069 337085361 /nfs/dbraw/zinc/08/53/61/337085361.db2.gz XSNXIFFPLLTXMW-GFCCVEGCSA-N 0 3 316.361 1.029 20 10 DDCDHN CCCOc1ccc(C[NH2+][C@H]2CCN(CCOC)C2)c([O-])c1 ZINC000264594449 520375434 /nfs/dbraw/zinc/37/54/34/520375434.db2.gz MGBOECWTUONVOX-HNNXBMFYSA-N 0 3 308.422 1.991 20 10 DDCDHN CC[NH+](CC)CCN(CCOC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182387192 520643176 /nfs/dbraw/zinc/64/31/76/520643176.db2.gz ZDTHAGWZSAGTMB-UHFFFAOYSA-N 0 3 324.421 1.837 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnccn2)N(C)C)cc1 ZINC000038635157 696137237 /nfs/dbraw/zinc/13/72/37/696137237.db2.gz PWBWXRGLMYOPGD-INIZCTEOSA-N 0 3 313.405 1.575 20 10 DDCDHN CC(C)C(=O)NCCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000092104005 696592522 /nfs/dbraw/zinc/59/25/22/696592522.db2.gz SCRRXOCTEYUUOJ-UHFFFAOYSA-N 0 3 319.449 1.727 20 10 DDCDHN C[C@H]1CCNC(=O)[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000799348107 700137974 /nfs/dbraw/zinc/13/79/74/700137974.db2.gz YNJMSZFJLHQEQJ-LRDDRELGSA-N 0 3 321.396 1.277 20 10 DDCDHN CNS(=O)(=O)[C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000160467998 697317700 /nfs/dbraw/zinc/31/77/00/697317700.db2.gz GXXHYZHGLRDLOT-OAHLLOKOSA-N 0 3 324.446 1.395 20 10 DDCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)N(C)C ZINC000773049510 697705783 /nfs/dbraw/zinc/70/57/83/697705783.db2.gz RZTWPKFZEDJJNN-QWHCGFSZSA-N 0 3 323.412 1.790 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCS2(=O)=O)c1[O-] ZINC000228676394 697775249 /nfs/dbraw/zinc/77/52/49/697775249.db2.gz PAETVLMSAHKGCL-LLVKDONJSA-N 0 3 319.810 1.721 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NC(=O)NC(C)(C)C)c1 ZINC000775369696 697989469 /nfs/dbraw/zinc/98/94/69/697989469.db2.gz FQWXPBPMHDPKNE-JTQLQIEISA-N 0 3 323.393 1.676 20 10 DDCDHN COc1cc(O)c(CN[C@H](CO)CC(F)(F)F)cc1OC ZINC000776253256 698088327 /nfs/dbraw/zinc/08/83/27/698088327.db2.gz LLEKFJALKLVBLQ-VIFPVBQESA-N 0 3 309.284 1.812 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2CCO)cc1 ZINC000778267270 698255322 /nfs/dbraw/zinc/25/53/22/698255322.db2.gz CTNAJNGEVRFXRN-KRWDZBQOSA-N 0 3 319.449 1.558 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000779190680 698400485 /nfs/dbraw/zinc/40/04/85/698400485.db2.gz CSJLQXSJUVORSQ-UHFFFAOYSA-N 0 3 302.378 1.905 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000734285639 699646394 /nfs/dbraw/zinc/64/63/94/699646394.db2.gz QRIUINRBUGLZJZ-VXGBXAGGSA-N 0 3 319.405 1.998 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000734662209 699658484 /nfs/dbraw/zinc/65/84/84/699658484.db2.gz WMEKMHXSXRKYKH-OAHLLOKOSA-N 0 3 304.438 1.954 20 10 DDCDHN O=S1(=O)CCN(c2ccc(CNCC3(F)CC3)cc2)CC1 ZINC000792978087 699726292 /nfs/dbraw/zinc/72/62/92/699726292.db2.gz QUYHOSFWQJLWKB-UHFFFAOYSA-N 0 3 312.410 1.513 20 10 DDCDHN COc1ccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c([O-])c1 ZINC000740900409 699805826 /nfs/dbraw/zinc/80/58/26/699805826.db2.gz OUYKZTYEQIMHEJ-JSGCOSHPSA-N 0 3 313.419 1.846 20 10 DDCDHN CS(=O)(=O)N1CCCC[C@@H]1CNCc1ccc2c(c1)CCO2 ZINC000796508759 699936788 /nfs/dbraw/zinc/93/67/88/699936788.db2.gz CNHZGCFTBHUQQT-OAHLLOKOSA-N 0 3 324.446 1.525 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]CCCNS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756374127 700618375 /nfs/dbraw/zinc/61/83/75/700618375.db2.gz ZXSZBAWVQSIOOR-KOLCDFICSA-N 0 3 316.398 1.609 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCN2C)c2c1c(F)ccc2[O-] ZINC000756568456 700629941 /nfs/dbraw/zinc/62/99/41/700629941.db2.gz FKECZZXNTPCSHU-MBNYWOFBSA-N 0 3 307.413 1.915 20 10 DDCDHN CCNS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756706635 700636989 /nfs/dbraw/zinc/63/69/89/700636989.db2.gz BONOPDSJTHOSGG-MWLCHTKSSA-N 0 3 316.398 1.609 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC(NC(=O)COC)CC2)c([O-])c1 ZINC000768885476 701214121 /nfs/dbraw/zinc/21/41/21/701214121.db2.gz XCCIABHQOOTCPD-UHFFFAOYSA-N 0 3 322.405 1.518 20 10 DDCDHN CCOc1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000808426611 701517576 /nfs/dbraw/zinc/51/75/76/701517576.db2.gz FZUOOVCSQKDYMJ-GFCCVEGCSA-N 0 3 313.419 1.705 20 10 DDCDHN CNS(=O)(=O)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808716548 701532666 /nfs/dbraw/zinc/53/26/66/701532666.db2.gz YUCVDDRHYCHIKS-SECBINFHSA-N 0 3 306.815 1.554 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]CCCn2cc(CO)nn2)c2c1c(F)ccc2[O-] ZINC000810243858 701746523 /nfs/dbraw/zinc/74/65/23/701746523.db2.gz LHRBPXPZSQIPPS-MFKMUULPSA-N 0 3 320.368 1.843 20 10 DDCDHN COc1cc(Cl)cc(CNCCS(=O)(=O)C2CC2)c1O ZINC000840965173 702295928 /nfs/dbraw/zinc/29/59/28/702295928.db2.gz CISXGFCCWSBQFK-UHFFFAOYSA-N 0 3 319.810 1.721 20 10 DDCDHN C[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)N1CCCC[C@H]1C ZINC000841006733 702306806 /nfs/dbraw/zinc/30/68/06/702306806.db2.gz HFUFJJSOUUHZFV-CHWSQXEVSA-N 0 3 318.421 1.586 20 10 DDCDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)N1CCCC[C@@H]1C ZINC000841006742 702307173 /nfs/dbraw/zinc/30/71/73/702307173.db2.gz HFUFJJSOUUHZFV-STQMWFEESA-N 0 3 318.421 1.586 20 10 DDCDHN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CNCCO1 ZINC000841098515 702345025 /nfs/dbraw/zinc/34/50/25/702345025.db2.gz HHEXQRIRUZGQHP-LLVKDONJSA-N 0 3 301.184 1.233 20 10 DDCDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841112268 702351493 /nfs/dbraw/zinc/35/14/93/702351493.db2.gz JPOLQVAJGNGBCI-CABCVRRESA-N 0 3 316.405 1.293 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000841823617 702573334 /nfs/dbraw/zinc/57/33/34/702573334.db2.gz DPSXKTQLPLECDB-KGLIPLIRSA-N 0 3 304.438 1.953 20 10 DDCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCC(=O)N(C)C2=O)cc1 ZINC000818361529 702640153 /nfs/dbraw/zinc/64/01/53/702640153.db2.gz KSRDHYMQGANAKO-SWLSCSKDSA-N 0 3 303.406 1.941 20 10 DDCDHN C[NH2+]C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000843044056 702807310 /nfs/dbraw/zinc/80/73/10/702807310.db2.gz BQULWZMRLYYHCA-NSHDSACASA-N 0 3 309.366 1.740 20 10 DDCDHN C[NH+]1CCC2(CC1)CN(C(=O)c1cccc(O)c1[O-])CCO2 ZINC000844094958 702970863 /nfs/dbraw/zinc/97/08/63/702970863.db2.gz RVXLNNKLOQQLFD-UHFFFAOYSA-N 0 3 306.362 1.035 20 10 DDCDHN CC[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(C)cc1[O-] ZINC000866522252 706720955 /nfs/dbraw/zinc/72/09/55/706720955.db2.gz UITBGBNVCGCDEO-YOEHRIQHSA-N 0 3 320.389 1.963 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)[C@H](N)CC(F)F)cc1 ZINC000846697917 703319708 /nfs/dbraw/zinc/31/97/08/703319708.db2.gz YLVROMVEUAZNCA-CYBMUJFWSA-N 0 3 315.364 1.572 20 10 DDCDHN CC[C@@H](C)[C@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[O-])C(=O)OC ZINC000879647656 706749222 /nfs/dbraw/zinc/74/92/22/706749222.db2.gz HJJDODSBJBXUSF-HSMVNMDESA-N 0 3 322.405 1.747 20 10 DDCDHN COC(=O)CCN1CCC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000879650386 706749668 /nfs/dbraw/zinc/74/96/68/706749668.db2.gz YKZKZPSJIHGDRO-JSGCOSHPSA-N 0 3 320.389 1.597 20 10 DDCDHN Cc1c(CNCc2ccc(N3CCC(O)CC3)cc2)cnn1C ZINC000850406182 703729955 /nfs/dbraw/zinc/72/99/55/703729955.db2.gz VZHGHEKOYWRASK-UHFFFAOYSA-N 0 3 314.433 1.979 20 10 DDCDHN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCN1C1CCCC1 ZINC000821061428 704366062 /nfs/dbraw/zinc/36/60/62/704366062.db2.gz XEYULADBYAZXDN-AWEZNQCLSA-N 0 3 304.390 1.773 20 10 DDCDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000823101992 705140195 /nfs/dbraw/zinc/14/01/95/705140195.db2.gz XYGJWUTUMMXMLC-AAEUAGOBSA-N 0 3 301.350 1.625 20 10 DDCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCCN2CCCO)c([O-])c1 ZINC000824558988 705479668 /nfs/dbraw/zinc/47/96/68/705479668.db2.gz BQIZQQORGFXOSF-HNNXBMFYSA-N 0 3 308.422 1.727 20 10 DDCDHN Cc1ccc(C[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c([O-])c1 ZINC000877008058 705957219 /nfs/dbraw/zinc/95/72/19/705957219.db2.gz FBXNHSRKNJSZRS-UHFFFAOYSA-N 0 3 319.449 1.733 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1COCCO1 ZINC000827337167 705979042 /nfs/dbraw/zinc/97/90/42/705979042.db2.gz SUFDPLDNCIEBJZ-QGZVFWFLSA-N 0 3 306.406 1.370 20 10 DDCDHN OC1CCN(c2ccc(CNC3COCCOC3)cc2)CC1 ZINC000877547115 706138471 /nfs/dbraw/zinc/13/84/71/706138471.db2.gz QOZJVVOYOGYORV-UHFFFAOYSA-N 0 3 306.406 1.153 20 10 DDCDHN C[C@@H]1CN(CCO)CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835053029 707162971 /nfs/dbraw/zinc/16/29/71/707162971.db2.gz AEOFAVLCLIHNKP-DWTRPJMMSA-N 0 3 303.450 1.764 20 10 DDCDHN CCOc1ccc(C[NH2+]CC[C@H]2CCCS2(=O)=O)c([O-])c1 ZINC000883300281 707970217 /nfs/dbraw/zinc/97/02/17/707970217.db2.gz SJWCQEYLWOZCKG-CQSZACIVSA-N 0 3 313.419 1.848 20 10 DDCDHN COC[C@@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839144633 708030452 /nfs/dbraw/zinc/03/04/52/708030452.db2.gz ISJWUCHIOBJKFE-LLVKDONJSA-N 0 3 300.349 1.926 20 10 DDCDHN Cc1ccc(O)c(C[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000898156459 708559912 /nfs/dbraw/zinc/55/99/12/708559912.db2.gz VRRYLLWSVSVGKJ-CYBMUJFWSA-N 0 3 300.362 1.565 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c([O-])c1 ZINC000886737072 708829630 /nfs/dbraw/zinc/82/96/30/708829630.db2.gz ROPVWPQJORGORP-GFCCVEGCSA-N 0 3 312.435 1.775 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H](O)C2CC2)N(C)C)cc1 ZINC000891249703 710141990 /nfs/dbraw/zinc/14/19/90/710141990.db2.gz SEHYZIDRSLWGNH-HOTGVXAUSA-N 0 3 305.422 1.242 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2COCO2)c1[O-] ZINC000894876720 711305176 /nfs/dbraw/zinc/30/51/76/711305176.db2.gz UTHGCAFNCNOTKX-LLVKDONJSA-N 0 3 302.168 1.926 20 10 DDCDHN COc1cc(Cl)cc(CN2C[C@H](O)C[C@@]2(C)CO)c1O ZINC000895329910 711486259 /nfs/dbraw/zinc/48/62/59/711486259.db2.gz KWDFRHIDAZHZNL-RISCZKNCSA-N 0 3 301.770 1.372 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC000895345187 711490555 /nfs/dbraw/zinc/49/05/55/711490555.db2.gz YGAIINLXNOBXQO-ZDUSSCGKSA-N 0 3 319.405 1.781 20 10 DDCDHN COC(=O)C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1C ZINC000905711280 712127973 /nfs/dbraw/zinc/12/79/73/712127973.db2.gz DDIHFLRBWKYOJH-HFAKWTLXSA-N 0 3 321.373 1.449 20 10 DDCDHN COC(=O)C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1C ZINC000905711280 712127974 /nfs/dbraw/zinc/12/79/74/712127974.db2.gz DDIHFLRBWKYOJH-HFAKWTLXSA-N 0 3 321.373 1.449 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000914160641 713350537 /nfs/dbraw/zinc/35/05/37/713350537.db2.gz HVQFYMIDRGWXBH-NSHDSACASA-N 0 3 307.369 1.815 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000914160641 713350539 /nfs/dbraw/zinc/35/05/39/713350539.db2.gz HVQFYMIDRGWXBH-NSHDSACASA-N 0 3 307.369 1.815 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)C1C[NH+](C2CCOCC2)C1 ZINC000928710823 713469700 /nfs/dbraw/zinc/46/97/00/713469700.db2.gz KNAPFDDTMXMAEF-UHFFFAOYSA-N 0 3 308.353 1.258 20 10 DDCDHN COc1ccc(N(C)CCN(C)C[C@H](O)C2(O)CCC2)cc1 ZINC000930853641 713937760 /nfs/dbraw/zinc/93/77/60/713937760.db2.gz WDHOORVMIULIFV-INIZCTEOSA-N 0 3 308.422 1.339 20 10 DDCDHN CCOc1ccc(C[NH2+][C@H](CC)CN2CCOCC2)c([O-])c1 ZINC000922591200 714095629 /nfs/dbraw/zinc/09/56/29/714095629.db2.gz ZUHUOVPNIZXGDO-OAHLLOKOSA-N 0 3 308.422 1.991 20 10 DDCDHN COc1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)c(O)c1 ZINC001203628617 744301107 /nfs/dbraw/zinc/30/11/07/744301107.db2.gz CSMGANLNWIOSMS-INIZCTEOSA-N 0 3 306.406 1.697 20 10 DDCDHN [NH3+][C@@H]1CN(Cc2cc(Br)ccc2[O-])CC[C@H]1O ZINC001206088245 771789350 /nfs/dbraw/zinc/78/93/50/771789350.db2.gz XMJCWCUWPAEPGN-ZYHUDNBSSA-N 0 3 301.184 1.049 20 10 DDCDHN CCOc1cccc(CN2CCC[C@@]23CCN(C)C3=O)c1O ZINC001272626238 846424665 /nfs/dbraw/zinc/42/46/65/846424665.db2.gz VAUJIHVEMDAKSR-KRWDZBQOSA-N 0 3 304.390 1.988 20 10 DDCDHN Cc1cccc(CN2CC3(CCN3CCn3ccnc3)C2)c1O ZINC001276080999 854715530 /nfs/dbraw/zinc/71/55/30/854715530.db2.gz ZJGMROHDUXPAJK-UHFFFAOYSA-N 0 3 312.417 1.857 20 10 DDCDHN COC(=O)[C@H]1COCCC12CN(Cc1ccc(C)cc1O)C2 ZINC001140957676 860745849 /nfs/dbraw/zinc/74/58/49/860745849.db2.gz IEJORZUMYNEFFD-CQSZACIVSA-N 0 3 305.374 1.712 20 10 DDCDHN COc1ccnc(O[C@H]2CCN(Cc3cc(O)ccc3O)C2)n1 ZINC001141162801 860799380 /nfs/dbraw/zinc/79/93/80/860799380.db2.gz FIMSFLKCUKVFBU-ZDUSSCGKSA-N 0 3 317.345 1.550 20 10 DDCDHN CCCN(CC(N)=O)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001330213899 864162820 /nfs/dbraw/zinc/16/28/20/864162820.db2.gz SYNGOMHZWILFQO-UHFFFAOYSA-N 0 3 322.428 1.275 20 10 DDCDHN COc1cccc(CN2CC[C@H](Oc3ncc(F)cn3)C2)c1O ZINC001203601841 870662754 /nfs/dbraw/zinc/66/27/54/870662754.db2.gz NHFZZEJMMXQZKK-ZDUSSCGKSA-N 0 3 319.336 1.983 20 10 DDCDHN COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c([O-])c1 ZINC001203631044 870684362 /nfs/dbraw/zinc/68/43/62/870684362.db2.gz YPKFNVFIUYNDRQ-FOLVSLTJSA-N 0 3 304.390 1.603 20 10 DDCDHN COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c([O-])c1 ZINC001203631044 870684372 /nfs/dbraw/zinc/68/43/72/870684372.db2.gz YPKFNVFIUYNDRQ-FOLVSLTJSA-N 0 3 304.390 1.603 20 10 DDCDHN [NH3+][C@H]1CC[C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212552 878823826 /nfs/dbraw/zinc/82/38/26/878823826.db2.gz NMYTVRAGQUAKST-JQWIXIFHSA-N 0 3 305.765 1.947 20 10 DDCDHN COc1cc([O-])c(C[NH+]2CCC3(C[C@H]3C(N)=O)CC2)c(OC)c1 ZINC001277589062 885953549 /nfs/dbraw/zinc/95/35/49/885953549.db2.gz VTSYWOKNXJKDAP-ZDUSSCGKSA-N 0 3 320.389 1.497 20 10 DDCDHN CC1=NC2(CCN(Cc3cc(O)c(O)cc3O)CC2)C(=O)N1C ZINC001233487047 887022185 /nfs/dbraw/zinc/02/21/85/887022185.db2.gz NKETURNJZLSSGJ-UHFFFAOYSA-N 0 3 319.361 1.028 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](O)[C@H](CO)C3)c2c1 ZINC001234526523 888055229 /nfs/dbraw/zinc/05/52/29/888055229.db2.gz WTHISAZQGHVROO-SJCJKPOMSA-N 0 3 303.358 1.339 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](O)[C@H](CO)C3)c2c1 ZINC001234526523 888055243 /nfs/dbraw/zinc/05/52/43/888055243.db2.gz WTHISAZQGHVROO-SJCJKPOMSA-N 0 3 303.358 1.339 20 10 DDCDHN OC[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236920912 889420580 /nfs/dbraw/zinc/42/05/80/889420580.db2.gz IEIUKVIVGNOQSU-CYBMUJFWSA-N 0 3 310.825 1.991 20 10 DDCDHN COC(=O)C[C@H]1CCN(Cc2cc(OC)cc(OC)c2O)C1 ZINC001237685994 889805308 /nfs/dbraw/zinc/80/53/08/889805308.db2.gz WEPSEWZEVWOHBF-LLVKDONJSA-N 0 3 309.362 1.794 20 10 DDCDHN COCCOc1ccc(N2CCN([C@H](C)COC)CC2)cc1 ZINC001255583407 897031406 /nfs/dbraw/zinc/03/14/06/897031406.db2.gz NMSJPHMZHJRNNU-OAHLLOKOSA-N 0 3 308.422 1.869 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)c([O-])c1 ZINC000273361783 130110834 /nfs/dbraw/zinc/11/08/34/130110834.db2.gz ANHPEEPJKHMFJR-DZGCQCFKSA-N 0 3 305.422 1.691 20 10 DDCDHN C[C@@H](CN(C)C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000287499156 131283568 /nfs/dbraw/zinc/28/35/68/131283568.db2.gz LGVGWXAPANBTIY-ZDUSSCGKSA-N 0 3 304.438 1.818 20 10 DDCDHN COc1cc(Cl)cc(CN[C@H](C)CS(C)(=O)=O)c1O ZINC000228674068 407650493 /nfs/dbraw/zinc/65/04/93/407650493.db2.gz VCINGXNGHYJWLD-MRVPVSSYSA-N 0 3 307.799 1.577 20 10 DDCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c1[O-] ZINC000271710775 407728168 /nfs/dbraw/zinc/72/81/68/407728168.db2.gz ASHHKTXWJCQZQP-ZDUSSCGKSA-N 0 3 312.435 1.462 20 10 DDCDHN Cc1cccc(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c1[O-] ZINC000271710775 407728171 /nfs/dbraw/zinc/72/81/71/407728171.db2.gz ASHHKTXWJCQZQP-ZDUSSCGKSA-N 0 3 312.435 1.462 20 10 DDCDHN Cc1cccc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c1O ZINC000271710775 407728175 /nfs/dbraw/zinc/72/81/75/407728175.db2.gz ASHHKTXWJCQZQP-ZDUSSCGKSA-N 0 3 312.435 1.462 20 10 DDCDHN C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000271715216 407728846 /nfs/dbraw/zinc/72/88/46/407728846.db2.gz WNVYXHLQWNHHPW-SWLSCSKDSA-N 0 3 314.389 1.972 20 10 DDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cn3cncn3)CC1)OCO2 ZINC000186901348 407792079 /nfs/dbraw/zinc/79/20/79/407792079.db2.gz ODJDJLUETGEGFN-UHFFFAOYSA-N 0 3 316.361 1.625 20 10 DDCDHN Oc1cc2c(cc1CN1CCC(Cn3cncn3)CC1)OCO2 ZINC000186901348 407792091 /nfs/dbraw/zinc/79/20/91/407792091.db2.gz ODJDJLUETGEGFN-UHFFFAOYSA-N 0 3 316.361 1.625 20 10 DDCDHN CC[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000274905732 408565168 /nfs/dbraw/zinc/56/51/68/408565168.db2.gz MBEMOQRCLDCVLT-TZMCWYRMSA-N 0 3 312.435 1.857 20 10 DDCDHN CN(C)C/C=C/C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000264653110 408543000 /nfs/dbraw/zinc/54/30/00/408543000.db2.gz SWVHGXBOKAIPQO-ONEGZZNKSA-N 0 3 303.406 1.257 20 10 DDCDHN CNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000192752762 408640754 /nfs/dbraw/zinc/64/07/54/408640754.db2.gz YNTBUQQQHYEQET-CYBMUJFWSA-N 0 3 305.422 1.562 20 10 DDCDHN COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000278721219 409086692 /nfs/dbraw/zinc/08/66/92/409086692.db2.gz POGMQQNHOOWFIE-GOEBONIOSA-N 0 3 309.406 1.546 20 10 DDCDHN COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000278721219 409086695 /nfs/dbraw/zinc/08/66/95/409086695.db2.gz POGMQQNHOOWFIE-GOEBONIOSA-N 0 3 309.406 1.546 20 10 DDCDHN Cc1cccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1[O-] ZINC000293635272 409151578 /nfs/dbraw/zinc/15/15/78/409151578.db2.gz LSAABWMUKSCCLT-HNNXBMFYSA-N 0 3 302.378 1.622 20 10 DDCDHN Cc1cccc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1[O-] ZINC000293635272 409151581 /nfs/dbraw/zinc/15/15/81/409151581.db2.gz LSAABWMUKSCCLT-HNNXBMFYSA-N 0 3 302.378 1.622 20 10 DDCDHN CCCOc1ccc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)c(O)c1 ZINC000370717258 418747371 /nfs/dbraw/zinc/74/73/71/418747371.db2.gz SHIJSQXMOVKBGM-HOCLYGCPSA-N 0 3 320.389 1.270 20 10 DDCDHN COc1ccc(O)c(CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000180579098 524740740 /nfs/dbraw/zinc/74/07/40/524740740.db2.gz KFBBNTOLPLPRQG-AWEZNQCLSA-N 0 3 306.406 1.555 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CCOC2)c1[O-] ZINC000182662599 526157568 /nfs/dbraw/zinc/15/75/68/526157568.db2.gz JCWRVLVHBNYKAE-ZDUSSCGKSA-N 0 3 316.195 1.704 20 10 DDCDHN COc1c([O-])c(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000775029042 697956168 /nfs/dbraw/zinc/95/61/68/697956168.db2.gz JIHLFTDLPWOSGS-CMPLNLGQSA-N 0 3 309.366 1.881 20 10 DDCDHN C[C@H](O)C[C@@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000305207194 698641196 /nfs/dbraw/zinc/64/11/96/698641196.db2.gz DASGRZMGTFMCPW-YOEHRIQHSA-N 0 3 319.449 1.604 20 10 DDCDHN COCC[C@@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000320549343 698721070 /nfs/dbraw/zinc/72/10/70/698721070.db2.gz SADQFDQMPDQXGI-QGZVFWFLSA-N 0 3 319.449 1.999 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000322613796 698736136 /nfs/dbraw/zinc/73/61/36/698736136.db2.gz DAEZTYGAZHAPJO-ABAIWWIYSA-N 0 3 320.364 1.834 20 10 DDCDHN O=C1NCC2(CCN(Cc3cc4c(cc3O)OCO4)CC2)O1 ZINC000783722203 698870677 /nfs/dbraw/zinc/87/06/77/698870677.db2.gz ZGVKEFGCJCQZGY-UHFFFAOYSA-N 0 3 306.318 1.195 20 10 DDCDHN CNS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000784053229 698905984 /nfs/dbraw/zinc/90/59/84/698905984.db2.gz YZIAZAYTIUJSKK-PSASIEDQSA-N 0 3 302.371 1.218 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2COCCN2C)c1[O-] ZINC000704198360 699237849 /nfs/dbraw/zinc/23/78/49/699237849.db2.gz UVFYSGDCTJYGAP-GFCCVEGCSA-N 0 3 300.786 1.474 20 10 DDCDHN COc1cccc(O)c1CN[C@@H]1CCCc2c1cnn2CCO ZINC000725846759 699335971 /nfs/dbraw/zinc/33/59/71/699335971.db2.gz SRMYNTQRMUMUIB-CQSZACIVSA-N 0 3 317.389 1.757 20 10 DDCDHN NC(=O)NC(=O)CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846457 699537621 /nfs/dbraw/zinc/53/76/21/699537621.db2.gz ZTCAULKQKMPNTG-UHFFFAOYSA-N 0 3 305.378 1.722 20 10 DDCDHN NC(=O)NC(=O)CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846457 699537622 /nfs/dbraw/zinc/53/76/22/699537622.db2.gz ZTCAULKQKMPNTG-UHFFFAOYSA-N 0 3 305.378 1.722 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000809700716 701681355 /nfs/dbraw/zinc/68/13/55/701681355.db2.gz NAGIGGLWBWDMQR-KBPBESRZSA-N 0 3 306.406 1.696 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000809700716 701681356 /nfs/dbraw/zinc/68/13/56/701681356.db2.gz NAGIGGLWBWDMQR-KBPBESRZSA-N 0 3 306.406 1.696 20 10 DDCDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768448755 701178010 /nfs/dbraw/zinc/17/80/10/701178010.db2.gz WJBJHWYLELSTTI-IINYFYTJSA-N 0 3 307.346 1.203 20 10 DDCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768448755 701178012 /nfs/dbraw/zinc/17/80/12/701178012.db2.gz WJBJHWYLELSTTI-IINYFYTJSA-N 0 3 307.346 1.203 20 10 DDCDHN COCCOC[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464944 701180428 /nfs/dbraw/zinc/18/04/28/701180428.db2.gz CPOVXUYQBGWXND-LRDDRELGSA-N 0 3 323.389 1.303 20 10 DDCDHN COCCOC[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464944 701180430 /nfs/dbraw/zinc/18/04/30/701180430.db2.gz CPOVXUYQBGWXND-LRDDRELGSA-N 0 3 323.389 1.303 20 10 DDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2C(=O)CNC2=O)c1[O-] ZINC000808715101 701532829 /nfs/dbraw/zinc/53/28/29/701532829.db2.gz RUEBENCVSFNSKX-SECBINFHSA-N 0 3 311.769 1.556 20 10 DDCDHN CC(C)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)C1(O)CCOCC1 ZINC000841890829 702607607 /nfs/dbraw/zinc/60/76/07/702607607.db2.gz RGOWPHGPYXIMFA-UHFFFAOYSA-N 0 3 323.389 1.778 20 10 DDCDHN CN(C)c1ccc(/C=C/CN2CC(N3CC[C@@H](O)C3)C2)cc1 ZINC000843423640 702878310 /nfs/dbraw/zinc/87/83/10/702878310.db2.gz HLZBOAFDFQLREG-OAJJDEHYSA-N 0 3 301.434 1.517 20 10 DDCDHN CCOc1ccc(O)c(CN2C[C@H](O)C[C@H](C(=O)OC)C2)c1 ZINC000843433772 702881140 /nfs/dbraw/zinc/88/11/40/702881140.db2.gz COKIDVYKNNDNNI-QWHCGFSZSA-N 0 3 309.362 1.147 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@H]2C[C@@H](O)C2(C)C)cc1 ZINC000846957906 703357503 /nfs/dbraw/zinc/35/75/03/703357503.db2.gz OOKSHMCMNSKNHY-LSDHHAIUSA-N 0 3 305.422 1.118 20 10 DDCDHN C[C@@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)c1ccccc1[O-] ZINC000879648179 706749438 /nfs/dbraw/zinc/74/94/38/706749438.db2.gz BXYFUFDHOBXDRO-CYBMUJFWSA-N 0 3 320.389 1.408 20 10 DDCDHN CCOc1ccc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c([O-])c1 ZINC000848577169 703564530 /nfs/dbraw/zinc/56/45/30/703564530.db2.gz BBTIZNSGWFLISX-AWEZNQCLSA-N 0 3 306.362 1.864 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000852668032 704096799 /nfs/dbraw/zinc/09/67/99/704096799.db2.gz UNQUWXGDHBFULU-HOTGVXAUSA-N 0 3 317.433 1.337 20 10 DDCDHN COc1cc(CN2CC[C@H](N3CCOC3=O)C2)c(O)cc1C ZINC000853538680 704263046 /nfs/dbraw/zinc/26/30/46/704263046.db2.gz IVDSJJYKGZEEDK-ZDUSSCGKSA-N 0 3 306.362 1.736 20 10 DDCDHN OC1CCN(c2ccc(CN3CCN(C4CC4)CC3)cc2)CC1 ZINC000876566321 705760859 /nfs/dbraw/zinc/76/08/59/705760859.db2.gz GJWNLYVQEPDJAN-UHFFFAOYSA-N 0 3 315.461 1.928 20 10 DDCDHN COC(=O)[C@@H]1OCC[C@@H]1NC/C=C/c1ccc(N(C)C)cc1 ZINC000826957947 705899745 /nfs/dbraw/zinc/89/97/45/705899745.db2.gz LSMJQMOASVFNOE-CGFBPQRUSA-N 0 3 304.390 1.686 20 10 DDCDHN CN(C)C(=O)CN(CC[NH+](C)C)Cc1cc(Cl)ccc1[O-] ZINC000827157673 705942108 /nfs/dbraw/zinc/94/21/08/705942108.db2.gz GIPTYNNAFPACIT-UHFFFAOYSA-N 0 3 313.829 1.497 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c([O-])c1 ZINC000827544899 706023638 /nfs/dbraw/zinc/02/36/38/706023638.db2.gz NHTQQKRJBMPFBD-AWEZNQCLSA-N 0 3 321.421 1.979 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c([O-])c1 ZINC000827544899 706023639 /nfs/dbraw/zinc/02/36/39/706023639.db2.gz NHTQQKRJBMPFBD-AWEZNQCLSA-N 0 3 321.421 1.979 20 10 DDCDHN COC(=O)c1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])n1C ZINC000877493636 706122480 /nfs/dbraw/zinc/12/24/80/706122480.db2.gz NCOJBIKDNRGABK-UHFFFAOYSA-N 0 3 304.346 1.816 20 10 DDCDHN CCN1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC000877567318 706144763 /nfs/dbraw/zinc/14/47/63/706144763.db2.gz JFISPCPBVDZWQZ-HNNXBMFYSA-N 0 3 317.433 1.358 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@H]2COCC2(C)C)cc1 ZINC000832164956 706858056 /nfs/dbraw/zinc/85/80/56/706858056.db2.gz FXEJJZQRCKMEQU-INIZCTEOSA-N 0 3 319.449 1.726 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@H](C(C)(C)O)C2)cc1 ZINC000880146988 706892321 /nfs/dbraw/zinc/89/23/21/706892321.db2.gz YXIXTNBTEJKBJS-OAHLLOKOSA-N 0 3 319.449 1.462 20 10 DDCDHN COc1ccc(CN[C@@]2(CO)CCOC2)cc1Cn1cccn1 ZINC000873103442 707732431 /nfs/dbraw/zinc/73/24/31/707732431.db2.gz DNKRPIQTYDSDTI-QGZVFWFLSA-N 0 3 317.389 1.181 20 10 DDCDHN CC(C)(C[NH2+]Cc1ccccc1[O-])[C@@H]1COCC12OCCO2 ZINC000839177268 708033879 /nfs/dbraw/zinc/03/38/79/708033879.db2.gz ZPBCXRATXBFWIF-HNNXBMFYSA-N 0 3 307.390 1.898 20 10 DDCDHN N[C@H](CC1CC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000884191687 708180585 /nfs/dbraw/zinc/18/05/85/708180585.db2.gz KKRURDFWWHLXNT-MRXNPFEDSA-N 0 3 303.406 1.267 20 10 DDCDHN Cc1ccc(O)c(C[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000898156461 708559873 /nfs/dbraw/zinc/55/98/73/708559873.db2.gz VRRYLLWSVSVGKJ-ZDUSSCGKSA-N 0 3 300.362 1.565 20 10 DDCDHN COc1ccc(CNCC2(S(=O)(=O)N(C)C)CC2)cc1C ZINC000886322222 708742622 /nfs/dbraw/zinc/74/26/22/708742622.db2.gz TUVNZJFVQXCRAT-UHFFFAOYSA-N 0 3 312.435 1.517 20 10 DDCDHN CC[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H](C)O ZINC000900864535 709796747 /nfs/dbraw/zinc/79/67/47/709796747.db2.gz YZMJDSUIKUVZFI-JQFCIGGWSA-N 0 3 321.465 1.879 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCCCO)N(C)C)cc1 ZINC000891247147 710140674 /nfs/dbraw/zinc/14/06/74/710140674.db2.gz FXOSTMDDCYRLNU-MRXNPFEDSA-N 0 3 307.438 1.634 20 10 DDCDHN CCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)COC1 ZINC000891252701 710142425 /nfs/dbraw/zinc/14/24/25/710142425.db2.gz MSNZYKHUHIQIFV-MRXNPFEDSA-N 0 3 319.449 1.898 20 10 DDCDHN COc1cc(C)cc(CNCC(=O)NCc2ccco2)c1O ZINC000894165139 710995578 /nfs/dbraw/zinc/99/55/78/710995578.db2.gz IUSZOZAYILXXFF-UHFFFAOYSA-N 0 3 304.346 1.708 20 10 DDCDHN COc1cc(C)cc(CNC(C)(C)CS(C)(=O)=O)c1O ZINC000894468851 711137828 /nfs/dbraw/zinc/13/78/28/711137828.db2.gz FTRVQGCFDQVBJU-UHFFFAOYSA-N 0 3 301.408 1.622 20 10 DDCDHN CCN1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)C1=O ZINC000922639270 714108644 /nfs/dbraw/zinc/10/86/44/714108644.db2.gz NTEJSAHMSUXHRO-KRWDZBQOSA-N 0 3 317.433 1.624 20 10 DDCDHN CCOc1ccc(C[NH2+][C@H]2C[C@H](O)C23CCOCC3)c([O-])c1 ZINC000923022122 714216404 /nfs/dbraw/zinc/21/64/04/714216404.db2.gz WUAWDLQEJCYFLF-HOTGVXAUSA-N 0 3 307.390 1.811 20 10 DDCDHN COc1cc(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc(OC)n1 ZINC001007789894 737189092 /nfs/dbraw/zinc/18/90/92/737189092.db2.gz DNRSMUPWPIODCJ-CYBMUJFWSA-N 0 3 307.394 1.701 20 10 DDCDHN COc1cc(C)c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC001182152114 743499976 /nfs/dbraw/zinc/49/99/76/743499976.db2.gz JAZXJPBGAGKIIG-LBPRGKRZSA-N 0 3 313.419 1.624 20 10 DDCDHN COCCCN1CC[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618277 846415602 /nfs/dbraw/zinc/41/56/02/846415602.db2.gz DWYXGFFUWZMEDH-SFHVURJKSA-N 0 3 318.417 1.853 20 10 DDCDHN COCCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618277 846415608 /nfs/dbraw/zinc/41/56/08/846415608.db2.gz DWYXGFFUWZMEDH-SFHVURJKSA-N 0 3 318.417 1.853 20 10 DDCDHN CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001275952575 854007320 /nfs/dbraw/zinc/00/73/20/854007320.db2.gz IAPXSVDKKNCCPM-GJZGRUSLSA-N 0 3 319.405 1.864 20 10 DDCDHN CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(O)cc1[O-] ZINC001275952575 854007325 /nfs/dbraw/zinc/00/73/25/854007325.db2.gz IAPXSVDKKNCCPM-GJZGRUSLSA-N 0 3 319.405 1.864 20 10 DDCDHN CN1CCN(C2CN(Cc3ccc4c(c3)CCCN4C)C2)CC1 ZINC001138359310 860073198 /nfs/dbraw/zinc/07/31/98/860073198.db2.gz QXHGBWTVBZBJEY-UHFFFAOYSA-N 0 3 314.477 1.501 20 10 DDCDHN C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2cc(F)ccc2[O-])C1 ZINC001140062826 860567776 /nfs/dbraw/zinc/56/77/76/860567776.db2.gz FXYQTLRHXRAHIO-CYBMUJFWSA-N 0 3 318.396 1.921 20 10 DDCDHN CCN1CCN(c2ccc(CN3CC(F)(CO)C3)cc2)CC1 ZINC001140302702 860614934 /nfs/dbraw/zinc/61/49/34/860614934.db2.gz YGMAVZCYHJBOTL-UHFFFAOYSA-N 0 3 307.413 1.345 20 10 DDCDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc2c(c1)CCCN2C ZINC000322149891 882052581 /nfs/dbraw/zinc/05/25/81/882052581.db2.gz IDXIJLRROCCGIF-QGZVFWFLSA-N 0 3 317.433 1.406 20 10 DDCDHN CC(C)NC(=O)[C@H]1COC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203552314 870637123 /nfs/dbraw/zinc/63/71/23/870637123.db2.gz IZYAEWSJINJMHQ-OAGGEKHMSA-N 0 3 318.417 1.611 20 10 DDCDHN CC(C)NC(=O)[C@H]1COC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203552314 870637129 /nfs/dbraw/zinc/63/71/29/870637129.db2.gz IZYAEWSJINJMHQ-OAGGEKHMSA-N 0 3 318.417 1.611 20 10 DDCDHN CN(C)C1=NOC2(C1)CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203877635 870813129 /nfs/dbraw/zinc/81/31/29/870813129.db2.gz VEKBWDUABMUKER-UHFFFAOYSA-N 0 3 305.378 1.728 20 10 DDCDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc(C(C)C)cc1O ZINC001222080917 880225507 /nfs/dbraw/zinc/22/55/07/880225507.db2.gz QMXYGHAOCABDCU-OAHLLOKOSA-N 0 3 306.406 1.853 20 10 DDCDHN COc1cccc(CN2CC[C@@H]3C[C@@]32C(=O)N2CC=CC2)c1O ZINC001277453872 884439982 /nfs/dbraw/zinc/43/99/82/884439982.db2.gz IVOBBMPMEIWABS-KDOFPFPSSA-N 0 3 314.385 1.764 20 10 DDCDHN Oc1ccc(Cc2nc(-c3ccc4c(n3)CCNC4)no2)cc1O ZINC001247962122 893497879 /nfs/dbraw/zinc/49/78/79/893497879.db2.gz VWKQDABOTXUTQM-UHFFFAOYSA-N 0 3 324.340 1.779 20 10 DDCDHN CC[N@H+](CCC(=O)OC)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249215237 893874274 /nfs/dbraw/zinc/87/42/74/893874274.db2.gz XIQYZAQJNVVMGX-UHFFFAOYSA-N 0 3 309.362 1.493 20 10 DDCDHN CC[N@@H+](CCC(=O)OC)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249215237 893874284 /nfs/dbraw/zinc/87/42/84/893874284.db2.gz XIQYZAQJNVVMGX-UHFFFAOYSA-N 0 3 309.362 1.493 20 10 DDCDHN O=C(N1CCC([NH2+]Cc2cccc(O)c2[O-])CC1)C(F)(F)F ZINC001255975893 897178164 /nfs/dbraw/zinc/17/81/64/897178164.db2.gz HGPMDLOCJWSDHB-UHFFFAOYSA-N 0 3 318.295 1.741 20 10 DDCDHN COc1ccc(C[NH2+]Cc2c(C)nn(CCO)c2C)c([O-])c1 ZINC001256340905 897385520 /nfs/dbraw/zinc/38/55/20/897385520.db2.gz UTCPWJUPMLPUQX-UHFFFAOYSA-N 0 3 305.378 1.496 20 10 DDCDHN C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)c(F)c1[O-] ZINC000276851254 299283764 /nfs/dbraw/zinc/28/37/64/299283764.db2.gz AZXQQEOLFUXHTF-JTQLQIEISA-N 0 3 300.349 1.778 20 10 DDCDHN C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(F)ccc1[O-] ZINC000273616665 130145570 /nfs/dbraw/zinc/14/55/70/130145570.db2.gz XOGOBQVTDUNVKP-GFCCVEGCSA-N 0 3 323.412 1.735 20 10 DDCDHN CCOc1cccc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1O ZINC000284218070 131060517 /nfs/dbraw/zinc/06/05/17/131060517.db2.gz CQAAYMFLQWYAMQ-UONOGXRCSA-N 0 3 308.422 1.678 20 10 DDCDHN CN(C)C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000128098795 407497557 /nfs/dbraw/zinc/49/75/57/407497557.db2.gz DPNQMTPIWZKUNS-GOSISDBHSA-N 0 3 319.449 1.286 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN(C)CCN(C)C2CC2)cc1 ZINC000186781613 407770852 /nfs/dbraw/zinc/77/08/52/407770852.db2.gz RGWVDMJXXZKJDW-UHFFFAOYSA-N 0 3 318.465 1.395 20 10 DDCDHN CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179586977 407810903 /nfs/dbraw/zinc/81/09/03/407810903.db2.gz YQSLCGXIXGMQIF-UHFFFAOYSA-N 0 3 320.389 1.284 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CNCCO2)cc1F ZINC000269274936 408246917 /nfs/dbraw/zinc/24/69/17/408246917.db2.gz VVYKBGJWGPHCAO-CQSZACIVSA-N 0 3 323.412 1.667 20 10 DDCDHN C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])NC(=O)NC1=O ZINC000289706236 409284648 /nfs/dbraw/zinc/28/46/48/409284648.db2.gz OSKDLFWWAHINAZ-LRDDRELGSA-N 0 3 321.352 1.484 20 10 DDCDHN C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])NC(=O)NC1=O ZINC000289706236 409284650 /nfs/dbraw/zinc/28/46/50/409284650.db2.gz OSKDLFWWAHINAZ-LRDDRELGSA-N 0 3 321.352 1.484 20 10 DDCDHN C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc(F)ccc1[O-] ZINC000273556279 287024909 /nfs/dbraw/zinc/02/49/09/287024909.db2.gz GXEXSSXGELUVKY-RISCZKNCSA-N 0 3 309.385 1.522 20 10 DDCDHN CCS(=O)(=O)CCNCc1cc(Cl)cc(OC)c1O ZINC000230934345 222207057 /nfs/dbraw/zinc/20/70/57/222207057.db2.gz DEPSZAVWBRDJHN-UHFFFAOYSA-N 0 3 307.799 1.579 20 10 DDCDHN CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2ccccc2[O-])C1=O ZINC000371084844 418761117 /nfs/dbraw/zinc/76/11/17/418761117.db2.gz HRTGORCFJSXNFZ-LRDDRELGSA-N 0 3 303.362 1.202 20 10 DDCDHN CCCOc1ccc(CN2CCN3CCOC[C@H]3C2)c(O)c1 ZINC000368814538 418726034 /nfs/dbraw/zinc/72/60/34/418726034.db2.gz TXDQKOSIUGKBCE-OAHLLOKOSA-N 0 3 306.406 1.697 20 10 DDCDHN C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccccc1[O-] ZINC000371681362 418808389 /nfs/dbraw/zinc/80/83/89/418808389.db2.gz QDLMDKCYNUDYBH-JKSUJKDBSA-N 0 3 319.449 1.449 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@H]2CCO[C@H]2C2CC2)cc1 ZINC000365192620 418842480 /nfs/dbraw/zinc/84/24/80/418842480.db2.gz RNKOJZWAMDAZOX-WMZOPIPTSA-N 0 3 317.433 1.526 20 10 DDCDHN COc1ccc(N(C)C(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)cc1 ZINC000662827880 424780735 /nfs/dbraw/zinc/78/07/35/424780735.db2.gz PALKMNFFBDCFKK-LLVKDONJSA-N 0 3 300.362 1.772 20 10 DDCDHN CS(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000297581050 277496481 /nfs/dbraw/zinc/49/64/81/277496481.db2.gz HCXWPCJTTHQBRT-CHWSQXEVSA-N 0 3 310.419 1.393 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCC(=O)N2CCOCC2)c1 ZINC000182446918 524763013 /nfs/dbraw/zinc/76/30/13/524763013.db2.gz USAMBJZPYXNLCS-GFCCVEGCSA-N 0 3 308.378 1.300 20 10 DDCDHN C[C@H](Cn1cccn1)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000265063599 524776729 /nfs/dbraw/zinc/77/67/29/524776729.db2.gz MGBPVPICZHYCMN-CQSZACIVSA-N 0 3 315.421 1.244 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1[C@H](C)CC[C@@H]1C)cc2=O ZINC000123253441 696730251 /nfs/dbraw/zinc/73/02/51/696730251.db2.gz DRRHPEBDJGTBHL-PHIMTYICSA-N 0 3 318.377 1.984 20 10 DDCDHN COCCN(C)CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000171098842 697354376 /nfs/dbraw/zinc/35/43/76/697354376.db2.gz KJIWSDDFTUEMOT-UHFFFAOYSA-N 0 3 308.426 1.130 20 10 DDCDHN CCCS(=O)(=O)CCN[C@@H](C)c1cc(OC)ccc1O ZINC000182463475 697475557 /nfs/dbraw/zinc/47/55/57/697475557.db2.gz ZELATYKMSGJQJC-NSHDSACASA-N 0 3 301.408 1.876 20 10 DDCDHN COc1ccc(O)c([C@H](C)NC(=O)c2[nH]nc3c2CNCC3)c1 ZINC000188883735 697566670 /nfs/dbraw/zinc/56/66/70/697566670.db2.gz KVZPNDFZNNCUOO-VIFPVBQESA-N 0 3 316.361 1.261 20 10 DDCDHN COc1cc(Br)cc(C[N@H+](C)CCCO)c1[O-] ZINC000799740206 700163926 /nfs/dbraw/zinc/16/39/26/700163926.db2.gz WYSCEBDTTFADFU-UHFFFAOYSA-N 0 3 304.184 1.978 20 10 DDCDHN COc1cc(Br)cc(C[N@@H+](C)CCCO)c1[O-] ZINC000799740206 700163929 /nfs/dbraw/zinc/16/39/29/700163929.db2.gz WYSCEBDTTFADFU-UHFFFAOYSA-N 0 3 304.184 1.978 20 10 DDCDHN CCN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCNC1=O ZINC000799737861 700164044 /nfs/dbraw/zinc/16/40/44/700164044.db2.gz OPLUSRSGQVLPLR-MRXNPFEDSA-N 0 3 303.406 1.234 20 10 DDCDHN COc1c([O-])c(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775071584 697960002 /nfs/dbraw/zinc/96/00/02/697960002.db2.gz BLJYOUXMLGTQHE-QWRGUYRKSA-N 0 3 309.366 1.833 20 10 DDCDHN COc1c([O-])c(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775071584 697960006 /nfs/dbraw/zinc/96/00/06/697960006.db2.gz BLJYOUXMLGTQHE-QWRGUYRKSA-N 0 3 309.366 1.833 20 10 DDCDHN COC(=O)CNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775837072 698043112 /nfs/dbraw/zinc/04/31/12/698043112.db2.gz RERQJDMBCGIXHX-NWDGAFQWSA-N 0 3 307.394 1.081 20 10 DDCDHN C[C@@H](O)C[C@@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000305207187 698641204 /nfs/dbraw/zinc/64/12/04/698641204.db2.gz DASGRZMGTFMCPW-PBHICJAKSA-N 0 3 319.449 1.604 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CNC[C@@H]2CCCO2)cc1 ZINC000727057253 699396838 /nfs/dbraw/zinc/39/68/38/699396838.db2.gz HLEGWNNHHICACR-INIZCTEOSA-N 0 3 305.422 1.480 20 10 DDCDHN CCCCN(CC(=O)NC(=O)NC1CC1)Cc1ccccc1O ZINC000801597159 700325704 /nfs/dbraw/zinc/32/57/04/700325704.db2.gz CPVNNRUGIUCOIG-UHFFFAOYSA-N 0 3 319.405 1.983 20 10 DDCDHN C[C@H]1C[C@@H]([NH2+]CCCNS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756374124 700618254 /nfs/dbraw/zinc/61/82/54/700618254.db2.gz ZXSZBAWVQSIOOR-GXSJLCMTSA-N 0 3 316.398 1.609 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)CC2CC2)c1 ZINC000756762669 700640024 /nfs/dbraw/zinc/64/00/24/700640024.db2.gz QDDOGRXZUXQYTJ-LLVKDONJSA-N 0 3 313.419 1.876 20 10 DDCDHN CN(CCC(N)=O)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809713908 701682250 /nfs/dbraw/zinc/68/22/50/701682250.db2.gz PUTDMPCHXFOMQK-UHFFFAOYSA-N 0 3 320.393 1.892 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC3(C1)CCOCC3)[C@H](O)CO2 ZINC000768466532 701180594 /nfs/dbraw/zinc/18/05/94/701180594.db2.gz RNPKGQAXPUECRD-OAHLLOKOSA-N 0 3 305.374 1.821 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC3(C1)CCOCC3)[C@H](O)CO2 ZINC000768466532 701180596 /nfs/dbraw/zinc/18/05/96/701180596.db2.gz RNPKGQAXPUECRD-OAHLLOKOSA-N 0 3 305.374 1.821 20 10 DDCDHN CCOc1ccc(CN2CCC[C@H]2CS(N)(=O)=O)c(O)c1 ZINC000769428768 701244632 /nfs/dbraw/zinc/24/46/32/701244632.db2.gz SYFNWBJUTYCDJN-LBPRGKRZSA-N 0 3 314.407 1.044 20 10 DDCDHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868281332 702038860 /nfs/dbraw/zinc/03/88/60/702038860.db2.gz OTILOQZJXCGJFM-UONOGXRCSA-N 0 3 321.421 1.863 20 10 DDCDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841108169 702349855 /nfs/dbraw/zinc/34/98/55/702349855.db2.gz PBYANNBQGYAUNI-CYBMUJFWSA-N 0 3 304.394 1.198 20 10 DDCDHN NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000817412049 702372779 /nfs/dbraw/zinc/37/27/79/702372779.db2.gz BULJMRSNMOGVFO-XYPYZODXSA-N 0 3 306.362 1.502 20 10 DDCDHN COc1ccc(CNC(=O)C2(N)Cc3ccccc3C2)c(O)c1 ZINC000843500008 702895065 /nfs/dbraw/zinc/89/50/65/702895065.db2.gz QCQPYCBVIDQADH-UHFFFAOYSA-N 0 3 312.369 1.513 20 10 DDCDHN CC[C@H](C)[C@H](N)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846695801 703319013 /nfs/dbraw/zinc/31/90/13/703319013.db2.gz ATLGRLHOVYCCSA-BBRMVZONSA-N 0 3 307.438 1.963 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)C(N)C(F)(F)F)cc1 ZINC000846697949 703319943 /nfs/dbraw/zinc/31/99/43/703319943.db2.gz ZFFPAPCSMPMROA-LBPRGKRZSA-N 0 3 319.327 1.479 20 10 DDCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC000879649098 706749551 /nfs/dbraw/zinc/74/95/51/706749551.db2.gz LSMRHRVASDPFCT-VXGBXAGGSA-N 0 3 319.405 1.155 20 10 DDCDHN CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649824 706749698 /nfs/dbraw/zinc/74/96/98/706749698.db2.gz VWFAPDILYQYYPH-VXGBXAGGSA-N 0 3 307.394 1.913 20 10 DDCDHN CCCN(Cc1cccc(CC)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000848908659 703602084 /nfs/dbraw/zinc/60/20/84/703602084.db2.gz ABJJPZUZIDHVOQ-AWEZNQCLSA-N 0 3 304.390 1.924 20 10 DDCDHN CCCN(C)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819581896 704145052 /nfs/dbraw/zinc/14/50/52/704145052.db2.gz FPRCZJFYPMSIRT-HNNXBMFYSA-N 0 3 319.449 1.980 20 10 DDCDHN CCN(CC)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855230685 704474255 /nfs/dbraw/zinc/47/42/55/704474255.db2.gz HUURYBJEUQMMNA-AWEZNQCLSA-N 0 3 305.422 1.732 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@]2(O)CCSC2)cc1F ZINC000858148052 704670582 /nfs/dbraw/zinc/67/05/82/704670582.db2.gz JNCSOUPTUDHTOR-CQSZACIVSA-N 0 3 302.390 1.988 20 10 DDCDHN CN(C)c1ccc(CN(CCO)CCO)c(C(F)(F)F)c1 ZINC000862429790 705716782 /nfs/dbraw/zinc/71/67/82/705716782.db2.gz KFVFJXQUNYTKMM-UHFFFAOYSA-N 0 3 306.328 1.558 20 10 DDCDHN Cc1cccc([O-])c1C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000876808541 705885999 /nfs/dbraw/zinc/88/59/99/705885999.db2.gz KQLBMWHJOPDXTB-UHFFFAOYSA-N 0 3 312.435 1.556 20 10 DDCDHN Cc1cccc([O-])c1C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000876808541 705886002 /nfs/dbraw/zinc/88/60/02/705886002.db2.gz KQLBMWHJOPDXTB-UHFFFAOYSA-N 0 3 312.435 1.556 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000877076076 705977786 /nfs/dbraw/zinc/97/77/86/705977786.db2.gz JLWAKXQAJLLGGK-SJKOYZFVSA-N 0 3 317.389 1.511 20 10 DDCDHN CCNC(=O)[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877141618 705994948 /nfs/dbraw/zinc/99/49/48/705994948.db2.gz BFAATUXWLQTNNX-CYBMUJFWSA-N 0 3 305.422 1.262 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000877158906 706002097 /nfs/dbraw/zinc/00/20/97/706002097.db2.gz OIZCMIXZRPAQCL-GXTWGEPZSA-N 0 3 312.435 1.508 20 10 DDCDHN CO[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1OC ZINC000877475116 706117140 /nfs/dbraw/zinc/11/71/40/706117140.db2.gz LZLZEKBONLUSHD-HDICACEKSA-N 0 3 320.433 1.493 20 10 DDCDHN CC(=O)N[C@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877595283 706153404 /nfs/dbraw/zinc/15/34/04/706153404.db2.gz XFNAXILHHBXIJV-INIZCTEOSA-N 0 3 317.433 1.358 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NS(=O)(=O)CCCN(C)C)c1 ZINC000866841354 706821556 /nfs/dbraw/zinc/82/15/56/706821556.db2.gz AGYIWTJOLZEVDO-LLVKDONJSA-N 0 3 316.423 1.333 20 10 DDCDHN CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cc([O-])cs3)CC2)CC1 ZINC000832190510 706866075 /nfs/dbraw/zinc/86/60/75/706866075.db2.gz NNSBFBIUKIELEK-BETUJISGSA-N 0 3 323.462 1.742 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccnn2C)c1[O-] ZINC000897302655 708284324 /nfs/dbraw/zinc/28/43/24/708284324.db2.gz TUASTGAMDZTVMR-LBPRGKRZSA-N 0 3 311.769 1.611 20 10 DDCDHN Cc1cccc(O)c1C[NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898150815 708557943 /nfs/dbraw/zinc/55/79/43/708557943.db2.gz DAYXGMVBLWQKPC-LBPRGKRZSA-N 0 3 300.362 1.565 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCOC2)N(C)C)cc1 ZINC000891252370 710142554 /nfs/dbraw/zinc/14/25/54/710142554.db2.gz KAYFTRGHPQONAD-WMLDXEAASA-N 0 3 319.449 1.898 20 10 DDCDHN COC(=O)c1c(CNCC2(CO)CC2)c2cc(F)ccc2n1C ZINC000894325249 711068773 /nfs/dbraw/zinc/06/87/73/711068773.db2.gz QGKKEOBDMDDOFD-UHFFFAOYSA-N 0 3 320.364 1.966 20 10 DDCDHN CCN(CC)c1ccc(CN2C[C@H](O)C[C@]2(C)CO)cc1F ZINC000895327157 711485386 /nfs/dbraw/zinc/48/53/86/711485386.db2.gz APONLRWMALHVFC-RHSMWYFYSA-N 0 3 310.413 1.990 20 10 DDCDHN COC1(OC)CCN(Cc2ccc(N(C)C)c(C)c2)C[C@H]1O ZINC000931636393 714144962 /nfs/dbraw/zinc/14/49/62/714144962.db2.gz WDOAXMYPSCYPDV-MRXNPFEDSA-N 0 3 308.422 1.617 20 10 DDCDHN CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203561962 743805086 /nfs/dbraw/zinc/80/50/86/743805086.db2.gz ACQSQGNEDVMQME-HNNXBMFYSA-N 0 3 306.406 1.852 20 10 DDCDHN CCN(C)C(=O)CO[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203561962 743805091 /nfs/dbraw/zinc/80/50/91/743805091.db2.gz ACQSQGNEDVMQME-HNNXBMFYSA-N 0 3 306.406 1.852 20 10 DDCDHN CCN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](O)C1 ZINC001090839477 772255000 /nfs/dbraw/zinc/25/50/00/772255000.db2.gz MTZKABXFAHQRTH-QWHCGFSZSA-N 0 3 319.365 1.034 20 10 DDCDHN CCOc1ccc(N2CCN(CCCC(=O)NC)CC2)cc1 ZINC001118304499 781089032 /nfs/dbraw/zinc/08/90/32/781089032.db2.gz KOEWODVTIYFICY-UHFFFAOYSA-N 0 3 305.422 1.734 20 10 DDCDHN CCc1ccc(C[N@@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c([O-])c1 ZINC001274657177 852493612 /nfs/dbraw/zinc/49/36/12/852493612.db2.gz UYTYJKJCMHHBCO-QGZVFWFLSA-N 0 3 304.390 1.388 20 10 DDCDHN CCc1ccc(C[N@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c([O-])c1 ZINC001274657177 852493616 /nfs/dbraw/zinc/49/36/16/852493616.db2.gz UYTYJKJCMHHBCO-QGZVFWFLSA-N 0 3 304.390 1.388 20 10 DDCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccc[nH]1 ZINC001275266978 852940640 /nfs/dbraw/zinc/94/06/40/852940640.db2.gz HPECWGKKRVKWJW-AEFFLSMTSA-N 0 3 313.401 1.806 20 10 DDCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccc[nH]1 ZINC001275266978 852940649 /nfs/dbraw/zinc/94/06/49/852940649.db2.gz HPECWGKKRVKWJW-AEFFLSMTSA-N 0 3 313.401 1.806 20 10 DDCDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc(N(C)C)cc1C ZINC001328400178 862950713 /nfs/dbraw/zinc/95/07/13/862950713.db2.gz DNOZFAOKXKFJRW-INIZCTEOSA-N 0 3 305.422 1.398 20 10 DDCDHN Oc1ccc(O)c(CN2CCC(Oc3cnccn3)CC2)c1 ZINC001141161769 860799395 /nfs/dbraw/zinc/79/93/95/860799395.db2.gz XJHVPXOPHOIWOM-UHFFFAOYSA-N 0 3 301.346 1.931 20 10 DDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CCN(C2CC2)C1 ZINC001335736750 868506768 /nfs/dbraw/zinc/50/67/68/868506768.db2.gz HUCQSYLFRRTTJQ-ZDUSSCGKSA-N 0 3 302.422 1.895 20 10 DDCDHN CCN1C[C@H]2CC[N@H+](Cc3ccccc3[O-])CC[C@H]2S1(=O)=O ZINC001203552230 870635362 /nfs/dbraw/zinc/63/53/62/870635362.db2.gz FVDHGQPWLAHFCV-GDBMZVCRSA-N 0 3 324.446 1.638 20 10 DDCDHN CCN1C[C@H]2CC[N@@H+](Cc3ccccc3[O-])CC[C@H]2S1(=O)=O ZINC001203552230 870635369 /nfs/dbraw/zinc/63/53/69/870635369.db2.gz FVDHGQPWLAHFCV-GDBMZVCRSA-N 0 3 324.446 1.638 20 10 DDCDHN O=C(COC1CC[NH+](Cc2ccccc2[O-])CC1)NC1CC1 ZINC001203558689 870641531 /nfs/dbraw/zinc/64/15/31/870641531.db2.gz VVGNUDZTSUBZQX-UHFFFAOYSA-N 0 3 304.390 1.652 20 10 DDCDHN C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3c([O-])cccc3F)[C@H]2C1 ZINC001351848484 876462018 /nfs/dbraw/zinc/46/20/18/876462018.db2.gz LLBLMMVBPKVDLH-VHRBIJSZSA-N 0 3 307.369 1.671 20 10 DDCDHN C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3c([O-])cccc3F)[C@H]2C1 ZINC001351848484 876462025 /nfs/dbraw/zinc/46/20/25/876462025.db2.gz LLBLMMVBPKVDLH-VHRBIJSZSA-N 0 3 307.369 1.671 20 10 DDCDHN COC(=O)C[C@@H]1CCCN(Cc2cc(OC)c(O)cc2O)C1 ZINC001231637358 885775052 /nfs/dbraw/zinc/77/50/52/885775052.db2.gz KCBMJCZRMSDSDX-NSHDSACASA-N 0 3 309.362 1.882 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CC[C@@](C)(CO)[C@H](O)C1 ZINC001231849190 885904973 /nfs/dbraw/zinc/90/49/73/885904973.db2.gz OHGPTUJKPMHTNT-SJORKVTESA-N 0 3 308.422 1.326 20 10 DDCDHN C[C@@]1(O)COCCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727675 887252281 /nfs/dbraw/zinc/25/22/81/887252281.db2.gz NZRGLXDCSNYSIF-ZDUSSCGKSA-N 0 3 321.295 1.874 20 10 DDCDHN COc1cc(C)c(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c([O-])c1 ZINC001236816215 889372844 /nfs/dbraw/zinc/37/28/44/889372844.db2.gz QXOFTAVXFDJBQY-ZDUSSCGKSA-N 0 3 304.390 1.906 20 10 DDCDHN COc1cc(C)c(C[N@H+]2CCC(=O)N3CCC[C@H]3C2)c([O-])c1 ZINC001236816215 889372857 /nfs/dbraw/zinc/37/28/57/889372857.db2.gz QXOFTAVXFDJBQY-ZDUSSCGKSA-N 0 3 304.390 1.906 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC[C@H](O)C3)c(F)c2)CC1 ZINC001236932507 889430318 /nfs/dbraw/zinc/43/03/18/889430318.db2.gz QETCYOMFYFMPRJ-INIZCTEOSA-N 0 3 307.413 1.534 20 10 DDCDHN CCOc1ccc(CN2CCN(CCCOC)CC2)c(O)c1 ZINC001237042025 889479085 /nfs/dbraw/zinc/47/90/85/889479085.db2.gz CVFQJVZGRCKNLC-UHFFFAOYSA-N 0 3 308.422 1.945 20 10 DDCDHN C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C[C@H](O)CO ZINC001237052799 889483514 /nfs/dbraw/zinc/48/35/14/889483514.db2.gz VJCIFTXDKDXDGH-JTQLQIEISA-N 0 3 309.284 1.118 20 10 DDCDHN C[N@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C[C@H](O)CO ZINC001237052799 889483517 /nfs/dbraw/zinc/48/35/17/889483517.db2.gz VJCIFTXDKDXDGH-JTQLQIEISA-N 0 3 309.284 1.118 20 10 DDCDHN COCCN1C[C@@H]2C[N@H+](Cc3c(C)cccc3[O-])C[C@@H]2C1=O ZINC001237488498 889666615 /nfs/dbraw/zinc/66/66/15/889666615.db2.gz MFPDSEYWTFVPOR-ZFWWWQNUSA-N 0 3 304.390 1.237 20 10 DDCDHN COCCN1C[C@@H]2C[N@@H+](Cc3c(C)cccc3[O-])C[C@@H]2C1=O ZINC001237488498 889666619 /nfs/dbraw/zinc/66/66/19/889666619.db2.gz MFPDSEYWTFVPOR-ZFWWWQNUSA-N 0 3 304.390 1.237 20 10 DDCDHN COc1cc(CN2CCc3nccn3CC2)c(O)c(OC)c1 ZINC001237672823 889792856 /nfs/dbraw/zinc/79/28/56/889792856.db2.gz AQTIHVOUTQHIID-UHFFFAOYSA-N 0 3 303.362 1.664 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)c([O-])c1 ZINC001249173697 893853665 /nfs/dbraw/zinc/85/36/65/893853665.db2.gz VHDMNBUVSUESII-IUODEOHRSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)CC2)c([O-])c1 ZINC001249173697 893853682 /nfs/dbraw/zinc/85/36/82/893853682.db2.gz VHDMNBUVSUESII-IUODEOHRSA-N 0 3 307.390 1.701 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3C[C@H](CO)[C@H](O)C3)ccc2O1 ZINC001249224436 893878510 /nfs/dbraw/zinc/87/85/10/893878510.db2.gz ZDCSWWZQJMEQKN-TZMCWYRMSA-N 0 3 305.374 1.361 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3C[C@H](CO)[C@H](O)C3)ccc2O1 ZINC001249224436 893878524 /nfs/dbraw/zinc/87/85/24/893878524.db2.gz ZDCSWWZQJMEQKN-TZMCWYRMSA-N 0 3 305.374 1.361 20 10 DDCDHN CC[N@H+](Cc1ccccc1[O-])[C@H](C)CC(=O)N1CCOCC1 ZINC001256343694 897393628 /nfs/dbraw/zinc/39/36/28/897393628.db2.gz YLLPENYJBCDSNY-CQSZACIVSA-N 0 3 306.406 1.852 20 10 DDCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)CC(=O)N1CCOCC1 ZINC001256343694 897393643 /nfs/dbraw/zinc/39/36/43/897393643.db2.gz YLLPENYJBCDSNY-CQSZACIVSA-N 0 3 306.406 1.852 20 10 DDCDHN COc1ccc(CN[C@H](CO)CNC(=O)C2CC=CC2)cc1C ZINC001283741864 907881024 /nfs/dbraw/zinc/88/10/24/907881024.db2.gz BRXOAONXDARFMT-INIZCTEOSA-N 0 3 318.417 1.537 20 10 DDCDHN CN(C)c1ccc(CN(C[C@@H](O)Cn2cccn2)C2CC2)cc1 ZINC000298691316 282289109 /nfs/dbraw/zinc/28/91/09/282289109.db2.gz CXJZDNNQBOLCLB-GOSISDBHSA-N 0 3 314.433 1.975 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C)[C@H](C)C1)cc2=O ZINC000072873420 353223966 /nfs/dbraw/zinc/22/39/66/353223966.db2.gz PYMLPUKLKMTQHR-GHMZBOCLSA-N 0 3 318.377 1.699 20 10 DDCDHN CCOc1ccc(O)c(CN2CCN([C@@H](CC)CO)CC2)c1 ZINC000093740315 353904587 /nfs/dbraw/zinc/90/45/87/353904587.db2.gz BSYYIGZWZOOYQO-HNNXBMFYSA-N 0 3 308.422 1.679 20 10 DDCDHN O=C(NCCCO)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000272236111 130010559 /nfs/dbraw/zinc/01/05/59/130010559.db2.gz FPVBMXMBNWCUHX-UHFFFAOYSA-N 0 3 310.369 1.242 20 10 DDCDHN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1=CCN(C)CC1 ZINC000272745607 130060329 /nfs/dbraw/zinc/06/03/29/130060329.db2.gz DHQLPWONCPDCFE-FVOPLDGLSA-N 0 3 302.374 1.878 20 10 DDCDHN Cc1cccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1[O-] ZINC000289581983 131398478 /nfs/dbraw/zinc/39/84/78/131398478.db2.gz TZNYHOMXWPPLIR-UHFFFAOYSA-N 0 3 312.435 1.462 20 10 DDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)c1 ZINC000273622730 292165510 /nfs/dbraw/zinc/16/55/10/292165510.db2.gz ZMVIIFMFWKXQEJ-HIFRSBDPSA-N 0 3 305.422 1.691 20 10 DDCDHN Cc1ccc(O)c(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000092044986 407185452 /nfs/dbraw/zinc/18/54/52/407185452.db2.gz LGZVBEFWXODYMG-HNNXBMFYSA-N 0 3 324.446 1.701 20 10 DDCDHN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)N1CCOCC1 ZINC000185665633 407472744 /nfs/dbraw/zinc/47/27/44/407472744.db2.gz DGSFGJWTGTWDAS-FZMZJTMJSA-N 0 3 310.369 1.819 20 10 DDCDHN C[C@@H]1CN(c2ccc(CNC(=O)C3(N)CC3)cc2F)C[C@H](C)O1 ZINC000269247812 408233833 /nfs/dbraw/zinc/23/38/33/408233833.db2.gz MZAWMZQTLDGIQT-TXEJJXNPSA-N 0 3 321.396 1.547 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c1 ZINC000185002643 408734536 /nfs/dbraw/zinc/73/45/36/408734536.db2.gz OLODIKSLNXYFHA-NSHDSACASA-N 0 3 308.378 1.334 20 10 DDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)c1 ZINC000185341318 408797242 /nfs/dbraw/zinc/79/72/42/408797242.db2.gz YYKMWXKXOFUILH-AWEZNQCLSA-N 0 3 305.422 1.515 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCn2cc(CO)nn2)c1 ZINC000289795276 409286678 /nfs/dbraw/zinc/28/66/78/409286678.db2.gz NMWRAPLZBWDSEN-NSHDSACASA-N 0 3 306.366 1.226 20 10 DDCDHN CCCOc1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c([O-])c1 ZINC000280296990 409287515 /nfs/dbraw/zinc/28/75/15/409287515.db2.gz NFRIGPREXJCLKF-HUUCEWRRSA-N 0 3 309.406 1.916 20 10 DDCDHN CCCOc1ccc(C[NH2+]CCN2CCC(O)CC2)c([O-])c1 ZINC000294728870 409298143 /nfs/dbraw/zinc/29/81/43/409298143.db2.gz BKNKYXVFQLOWBR-UHFFFAOYSA-N 0 3 308.422 1.727 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1[O-] ZINC000228094959 222205965 /nfs/dbraw/zinc/20/59/65/222205965.db2.gz IVQZQINQOAGLHW-XPTSAGLGSA-N 0 3 301.770 1.684 20 10 DDCDHN COCCN(C)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228672938 222205991 /nfs/dbraw/zinc/20/59/91/222205991.db2.gz ADGRMEFLJGUFGD-UHFFFAOYSA-N 0 3 302.802 1.722 20 10 DDCDHN Oc1cc2c(cc1CN1CCN([C@H]3CCC[C@@H]3O)CC1)OCO2 ZINC000371328006 418779992 /nfs/dbraw/zinc/77/99/92/418779992.db2.gz QYKPMPNBPKVOLW-KBPBESRZSA-N 0 3 320.389 1.152 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1OC ZINC000378450745 418722706 /nfs/dbraw/zinc/72/27/06/418722706.db2.gz CWRCWJFIMSDAQR-SUMWQHHRSA-N 0 3 323.389 1.837 20 10 DDCDHN C[C@]1(C2CC[NH+](Cc3ccccc3[O-])CC2)NC(=O)NC1=O ZINC000371535756 418798067 /nfs/dbraw/zinc/79/80/67/418798067.db2.gz RYWMWWYCHZAEEF-MRXNPFEDSA-N 0 3 303.362 1.202 20 10 DDCDHN CS[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1N(C)C ZINC000272676055 274185058 /nfs/dbraw/zinc/18/50/58/274185058.db2.gz RFDNVIPAQSWKPI-VQOXYXNASA-N 0 3 322.430 1.615 20 10 DDCDHN NC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1C(F)(F)F ZINC000375400755 337010432 /nfs/dbraw/zinc/01/04/32/337010432.db2.gz NEXPUNBRPKTPTJ-NXEZZACHSA-N 0 3 306.259 1.627 20 10 DDCDHN NC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1C(F)(F)F ZINC000375400755 337010433 /nfs/dbraw/zinc/01/04/33/337010433.db2.gz NEXPUNBRPKTPTJ-NXEZZACHSA-N 0 3 306.259 1.627 20 10 DDCDHN CN(C)c1ccc(CN[C@@H]2CCN(c3ccn(C)n3)C2=O)cc1 ZINC000360094191 337085328 /nfs/dbraw/zinc/08/53/28/337085328.db2.gz YPLJLKBEOTUYHN-OAHLLOKOSA-N 0 3 313.405 1.381 20 10 DDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1 ZINC000527755689 518189441 /nfs/dbraw/zinc/18/94/41/518189441.db2.gz VBFHSZHMCDDYHX-GOSISDBHSA-N 0 3 320.433 1.406 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c1 ZINC000182472116 524760252 /nfs/dbraw/zinc/76/02/52/524760252.db2.gz CXLXNHSHVQPBGM-LLVKDONJSA-N 0 3 313.419 1.876 20 10 DDCDHN C[C@H](NCC(=O)NCC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000181259677 525305101 /nfs/dbraw/zinc/30/51/01/525305101.db2.gz IBIWCGPMQJAMNS-AWEZNQCLSA-N 0 3 317.433 1.700 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000229052851 697777234 /nfs/dbraw/zinc/77/72/34/697777234.db2.gz CDONKKILFJRIKT-SNVBAGLBSA-N 0 3 312.753 1.291 20 10 DDCDHN CCCNC(=O)NC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000775370022 697989350 /nfs/dbraw/zinc/98/93/50/697989350.db2.gz DUSOGAOSLJOYJI-SNVBAGLBSA-N 0 3 309.366 1.287 20 10 DDCDHN COc1cc(O)c(CNC[C@H]2CCCS2(=O)=O)cc1OC ZINC000776253421 698088658 /nfs/dbraw/zinc/08/86/58/698088658.db2.gz PIDNXZIYNHHVHL-LLVKDONJSA-N 0 3 315.391 1.076 20 10 DDCDHN COc1ccc(N2CCN(C[C@@H](O)Cn3ccnc3)CC2)cc1 ZINC000754099670 700483694 /nfs/dbraw/zinc/48/36/94/700483694.db2.gz XBLMGEWVJLBJJE-MRXNPFEDSA-N 0 3 316.405 1.075 20 10 DDCDHN CCOc1ccc(CN2CCN([C@@H](CC)CO)CC2)c(O)c1 ZINC000769501934 701247643 /nfs/dbraw/zinc/24/76/43/701247643.db2.gz GBLRWCXMWSEYNH-HNNXBMFYSA-N 0 3 308.422 1.679 20 10 DDCDHN COC(=O)[C@H]1C[C@@H](O)CN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000830865591 706593451 /nfs/dbraw/zinc/59/34/51/706593451.db2.gz ORCMRQKGTCDGKC-LSDHHAIUSA-N 0 3 306.406 1.417 20 10 DDCDHN COC(=O)[C@H]1CN(C)CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000840956579 702293475 /nfs/dbraw/zinc/29/34/75/702293475.db2.gz ACJOWCPNUNDLMC-AWEZNQCLSA-N 0 3 323.412 1.428 20 10 DDCDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841006636 702306637 /nfs/dbraw/zinc/30/66/37/702306637.db2.gz GRKCUZQMJKEOGS-LBPRGKRZSA-N 0 3 304.394 1.198 20 10 DDCDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841037436 702318661 /nfs/dbraw/zinc/31/86/61/702318661.db2.gz QGEYXBONTYKBJT-HNNXBMFYSA-N 0 3 318.421 1.588 20 10 DDCDHN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CNCCO1 ZINC000842010135 702654699 /nfs/dbraw/zinc/65/46/99/702654699.db2.gz DEWQFZHYSZBBMB-ZDUSSCGKSA-N 0 3 319.405 1.059 20 10 DDCDHN C[C@@H](O)[C@@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000842226111 702684527 /nfs/dbraw/zinc/68/45/27/702684527.db2.gz UPWVGOKEMZSWLK-NOZJJQNGSA-N 0 3 306.328 1.603 20 10 DDCDHN CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)c([O-])c1 ZINC000843435712 702882127 /nfs/dbraw/zinc/88/21/27/702882127.db2.gz XLXHQQSDVUWICE-CHWSQXEVSA-N 0 3 309.362 1.147 20 10 DDCDHN CCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)c([O-])c1 ZINC000843435712 702882129 /nfs/dbraw/zinc/88/21/29/702882129.db2.gz XLXHQQSDVUWICE-CHWSQXEVSA-N 0 3 309.362 1.147 20 10 DDCDHN CC[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(C)cc1[O-] ZINC000866522248 706720963 /nfs/dbraw/zinc/72/09/63/706720963.db2.gz UITBGBNVCGCDEO-RHSMWYFYSA-N 0 3 320.389 1.963 20 10 DDCDHN Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000848603496 703568364 /nfs/dbraw/zinc/56/83/64/703568364.db2.gz QDIRWEFZBFLTOV-HUUCEWRRSA-N 0 3 316.405 1.340 20 10 DDCDHN CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCN(C)C1 ZINC000853244850 704223570 /nfs/dbraw/zinc/22/35/70/704223570.db2.gz QBVWHAYLZVUVAA-INIZCTEOSA-N 0 3 304.438 1.988 20 10 DDCDHN CCOc1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)c([O-])c1 ZINC000824583420 705487038 /nfs/dbraw/zinc/48/70/38/705487038.db2.gz LGFPBZNGWQCOQV-HNNXBMFYSA-N 0 3 308.422 1.727 20 10 DDCDHN Cc1ccc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)c(O)c1 ZINC000876684870 705818566 /nfs/dbraw/zinc/81/85/66/705818566.db2.gz UGGIWTUWZVDZNM-MRXNPFEDSA-N 0 3 318.417 1.914 20 10 DDCDHN Cc1ccc(C[NH2+]C2CCN(CC(=O)N(C)C)CC2)c([O-])c1 ZINC000877008098 705957094 /nfs/dbraw/zinc/95/70/94/705957094.db2.gz KQLWGGOPWJDQFA-UHFFFAOYSA-N 0 3 305.422 1.343 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000877009305 705957601 /nfs/dbraw/zinc/95/76/01/705957601.db2.gz VTQUPODBVBVSJA-UHFFFAOYSA-N 0 3 319.449 1.733 20 10 DDCDHN Fc1cc(CN2CCC3(COC3)C2)ccc1N1CCOCC1 ZINC000827645264 706042516 /nfs/dbraw/zinc/04/25/16/706042516.db2.gz TUSRLYZXGRMQLF-UHFFFAOYSA-N 0 3 306.381 1.885 20 10 DDCDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c([O-])c1 ZINC000877502052 706125278 /nfs/dbraw/zinc/12/52/78/706125278.db2.gz ZMEGODBARUGQRH-TZMCWYRMSA-N 0 3 312.435 1.508 20 10 DDCDHN O=C(C[C@H]1CNCCO1)NCc1c(O)ccc2c1CCCC2 ZINC000830597401 706541304 /nfs/dbraw/zinc/54/13/04/706541304.db2.gz GYTOZKNKJBRLGL-ZDUSSCGKSA-N 0 3 304.390 1.266 20 10 DDCDHN O=S1(=O)CCCN1CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834641302 707097393 /nfs/dbraw/zinc/09/73/93/707097393.db2.gz ZACABHJONVEMPE-CYBMUJFWSA-N 0 3 310.419 1.395 20 10 DDCDHN CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)O1 ZINC000834702578 707104888 /nfs/dbraw/zinc/10/48/88/707104888.db2.gz RPQWOSYZZOZAMF-GUTXKFCHSA-N 0 3 304.390 1.605 20 10 DDCDHN CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000912586604 713040058 /nfs/dbraw/zinc/04/00/58/713040058.db2.gz FRPGKUXVLAIPCH-UHFFFAOYSA-N 0 3 322.405 1.311 20 10 DDCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NCCN(C)CCO ZINC000899732464 709180153 /nfs/dbraw/zinc/18/01/53/709180153.db2.gz YLVKYYNNKOOCSK-UHFFFAOYSA-N 0 3 321.446 1.810 20 10 DDCDHN CCN1CC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184724 709319134 /nfs/dbraw/zinc/31/91/34/709319134.db2.gz FRQIUSQPCFJQCL-HNNXBMFYSA-N 0 3 318.421 1.639 20 10 DDCDHN CC[C@@](C)(O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891257597 710144535 /nfs/dbraw/zinc/14/45/35/710144535.db2.gz IXFMSXXYZFAGPS-NVXWUHKLSA-N 0 3 307.438 1.633 20 10 DDCDHN COc1cc(C)cc(CN2C[C@@H](C)N(CCO)C[C@H]2C)c1O ZINC000895024794 711374492 /nfs/dbraw/zinc/37/44/92/711374492.db2.gz NGPHUYQKMGJLRR-ZIAGYGMSSA-N 0 3 308.422 1.596 20 10 DDCDHN CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc([O-])cs1)C2 ZINC000926149464 715015144 /nfs/dbraw/zinc/01/51/44/715015144.db2.gz BNNLPEHAYRQCKE-HLSYRSCKSA-N 0 3 324.446 1.663 20 10 DDCDHN CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc([O-])cs1)C2 ZINC000926149464 715015147 /nfs/dbraw/zinc/01/51/47/715015147.db2.gz BNNLPEHAYRQCKE-HLSYRSCKSA-N 0 3 324.446 1.663 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)NC3=O)c([O-])c1 ZINC001181586256 743254693 /nfs/dbraw/zinc/25/46/93/743254693.db2.gz AUZXFVMEFVFUQQ-LRDDRELGSA-N 0 3 303.362 1.169 20 10 DDCDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c([O-])c1 ZINC001203635369 744361117 /nfs/dbraw/zinc/36/11/17/744361117.db2.gz RHSFQUUHBWDXSI-CQSZACIVSA-N 0 3 319.336 1.983 20 10 DDCDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c([O-])c1 ZINC001203635369 744361120 /nfs/dbraw/zinc/36/11/20/744361120.db2.gz RHSFQUUHBWDXSI-CQSZACIVSA-N 0 3 319.336 1.983 20 10 DDCDHN C[C@@H]([NH3+])[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000220329221 749583919 /nfs/dbraw/zinc/58/39/19/749583919.db2.gz RVNHFXVUTFTREE-RNCFNFMXSA-N 0 3 315.211 1.703 20 10 DDCDHN CO[C@@H]1COC[C@H]1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001118176265 781053309 /nfs/dbraw/zinc/05/33/09/781053309.db2.gz JOMVKRCRYFHWFM-NVXWUHKLSA-N 0 3 323.412 1.081 20 10 DDCDHN CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001272618458 846415265 /nfs/dbraw/zinc/41/52/65/846415265.db2.gz IOFLFLIMUSLKPM-HZPDHXFCSA-N 0 3 318.417 1.994 20 10 DDCDHN CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001272618458 846415268 /nfs/dbraw/zinc/41/52/68/846415268.db2.gz IOFLFLIMUSLKPM-HZPDHXFCSA-N 0 3 318.417 1.994 20 10 DDCDHN COCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2[O-])C1=O ZINC001272618637 846415769 /nfs/dbraw/zinc/41/57/69/846415769.db2.gz KWUYRNORTINYSD-GOSISDBHSA-N 0 3 318.417 1.996 20 10 DDCDHN COCCCN1CC[C@]2(CCC[N@H+]2Cc2ccccc2[O-])C1=O ZINC001272618637 846415775 /nfs/dbraw/zinc/41/57/75/846415775.db2.gz KWUYRNORTINYSD-GOSISDBHSA-N 0 3 318.417 1.996 20 10 DDCDHN CN(Cc1ccccc1O)C(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001121928977 858637538 /nfs/dbraw/zinc/63/75/38/858637538.db2.gz PLCDUOYMNZSYBC-LBPRGKRZSA-N 0 3 300.362 1.655 20 10 DDCDHN Cc1c(O)ccc(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c1O ZINC001140748235 860691840 /nfs/dbraw/zinc/69/18/40/860691840.db2.gz HNOJBECPDXHAGG-IYBDPMFKSA-N 0 3 318.417 1.701 20 10 DDCDHN O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCN1C1CCOCC1 ZINC001156911613 863440701 /nfs/dbraw/zinc/44/07/01/863440701.db2.gz OHOIBJCPHUSCOR-AWEZNQCLSA-N 0 3 320.389 1.010 20 10 DDCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1COCCO1 ZINC001335457859 868312134 /nfs/dbraw/zinc/31/21/34/868312134.db2.gz YIJVCAISBPYZPA-HZPDHXFCSA-N 0 3 307.390 1.789 20 10 DDCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1COCCO1 ZINC001335457859 868312148 /nfs/dbraw/zinc/31/21/48/868312148.db2.gz YIJVCAISBPYZPA-HZPDHXFCSA-N 0 3 307.390 1.789 20 10 DDCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001203551970 870635596 /nfs/dbraw/zinc/63/55/96/870635596.db2.gz VMNLPBNPSGANME-ZBFHGGJFSA-N 0 3 312.373 1.272 20 10 DDCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001203551970 870635604 /nfs/dbraw/zinc/63/56/04/870635604.db2.gz VMNLPBNPSGANME-ZBFHGGJFSA-N 0 3 312.373 1.272 20 10 DDCDHN Oc1ccccc1CN1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001203551970 870635613 /nfs/dbraw/zinc/63/56/13/870635613.db2.gz VMNLPBNPSGANME-ZBFHGGJFSA-N 0 3 312.373 1.272 20 10 DDCDHN COc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N(C)C)C[C@H]32)c([O-])c1 ZINC001203621389 870676738 /nfs/dbraw/zinc/67/67/38/870676738.db2.gz CMXQANVCYHAGPF-FVQBIDKESA-N 0 3 320.389 1.221 20 10 DDCDHN COc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N(C)C)C[C@H]32)c([O-])c1 ZINC001203621389 870676746 /nfs/dbraw/zinc/67/67/46/870676746.db2.gz CMXQANVCYHAGPF-FVQBIDKESA-N 0 3 320.389 1.221 20 10 DDCDHN COc1ccc(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c(O)c1 ZINC001203630493 870684258 /nfs/dbraw/zinc/68/42/58/870684258.db2.gz UAIOLHYFHHYFAE-CALCHBBNSA-N 0 3 318.417 1.696 20 10 DDCDHN Cc1cc(CN2C[C@@H](F)[C@@H](N)C2)c(O)cc1Br ZINC001204843307 871256476 /nfs/dbraw/zinc/25/64/76/871256476.db2.gz NBRXHYRHJMELMH-MNOVXSKESA-N 0 3 303.175 1.944 20 10 DDCDHN C[C@@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000400211760 876500286 /nfs/dbraw/zinc/50/02/86/876500286.db2.gz JVBKDVNVGBRVGV-TZMCWYRMSA-N 0 3 311.451 1.437 20 10 DDCDHN [NH3+][C@H](CC(=O)NC[C@@H]1CCNCC1(F)F)c1ccccc1[O-] ZINC001220185402 878794539 /nfs/dbraw/zinc/79/45/39/878794539.db2.gz GZLYYQNQHVTCTO-CMPLNLGQSA-N 0 3 313.348 1.143 20 10 DDCDHN CCOC(=O)[C@@]1(C)CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486469 887017409 /nfs/dbraw/zinc/01/74/09/887017409.db2.gz NVSXLLGWBJJOLX-INIZCTEOSA-N 0 3 309.362 1.969 20 10 DDCDHN CCN1CCN(c2ccc(O[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC001234657891 888172998 /nfs/dbraw/zinc/17/29/98/888172998.db2.gz LDYXIIWOISETDK-MRXNPFEDSA-N 0 3 324.446 1.394 20 10 DDCDHN C[C@@H]1CCCN1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237202676 889543495 /nfs/dbraw/zinc/54/34/95/889543495.db2.gz JLHPNOKTVAHWDA-CQSZACIVSA-N 0 3 308.447 1.906 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c([O-])c1 ZINC001249171243 893849705 /nfs/dbraw/zinc/84/97/05/893849705.db2.gz AVRQTHCLKJQKFH-PXAZEXFGSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)C2)c([O-])c1 ZINC001249171243 893849726 /nfs/dbraw/zinc/84/97/26/893849726.db2.gz AVRQTHCLKJQKFH-PXAZEXFGSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCN(C)C(C)(C)C2)c([O-])c1 ZINC001249208206 893865026 /nfs/dbraw/zinc/86/50/26/893865026.db2.gz PSLOYJTUIFOHFK-UHFFFAOYSA-N 0 3 306.406 1.634 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCN(C)C(C)(C)C2)c([O-])c1 ZINC001249208206 893865039 /nfs/dbraw/zinc/86/50/39/893865039.db2.gz PSLOYJTUIFOHFK-UHFFFAOYSA-N 0 3 306.406 1.634 20 10 DDCDHN CCOC(=O)CC[N@H+](C)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249208598 893865494 /nfs/dbraw/zinc/86/54/94/893865494.db2.gz XVLFLYCMFBGFHD-UHFFFAOYSA-N 0 3 309.362 1.493 20 10 DDCDHN CCOC(=O)CC[N@@H+](C)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249208598 893865510 /nfs/dbraw/zinc/86/55/10/893865510.db2.gz XVLFLYCMFBGFHD-UHFFFAOYSA-N 0 3 309.362 1.493 20 10 DDCDHN COC(=O)Cc1ccc(CN2CC(N3CCCCC3)C2)c(O)c1 ZINC001249207930 893869249 /nfs/dbraw/zinc/86/92/49/893869249.db2.gz MPHGPTXWIFSTQE-UHFFFAOYSA-N 0 3 318.417 1.778 20 10 DDCDHN [O-]c1cc2ccccc2cc1C[NH2+]C[C@H](O)CN1CCOCC1 ZINC001251041099 894598986 /nfs/dbraw/zinc/59/89/86/894598986.db2.gz DDBIUZAECDGMQX-KRWDZBQOSA-N 0 3 316.401 1.328 20 10 DDCDHN C[C@](O)(C[NH2+]Cc1ccccc1[O-])C(=O)OCc1ccccc1 ZINC001253650704 895962559 /nfs/dbraw/zinc/96/25/59/895962559.db2.gz NITWWPHWTSTAAY-SFHVURJKSA-N 0 3 315.369 1.976 20 10 DDCDHN CCOC(=O)[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000016080010 352156934 /nfs/dbraw/zinc/15/69/34/352156934.db2.gz BRMAPNVKPBNTCH-LLVKDONJSA-N 0 3 307.346 1.896 20 10 DDCDHN COc1cccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000092070556 193152367 /nfs/dbraw/zinc/15/23/67/193152367.db2.gz AHJVFCCWVBNLEZ-ZDUSSCGKSA-N 0 3 302.378 1.905 20 10 DDCDHN COc1cccc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000092070556 193152370 /nfs/dbraw/zinc/15/23/70/193152370.db2.gz AHJVFCCWVBNLEZ-ZDUSSCGKSA-N 0 3 302.378 1.905 20 10 DDCDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272284751 130015866 /nfs/dbraw/zinc/01/58/66/130015866.db2.gz NHQPUZYHKCPMDN-CHWSQXEVSA-N 0 3 324.396 1.894 20 10 DDCDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272284751 130015869 /nfs/dbraw/zinc/01/58/69/130015869.db2.gz NHQPUZYHKCPMDN-CHWSQXEVSA-N 0 3 324.396 1.894 20 10 DDCDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272712993 130056934 /nfs/dbraw/zinc/05/69/34/130056934.db2.gz YEYVASGWDFJZNG-RIEIZIRISA-N 0 3 302.374 1.710 20 10 DDCDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272712985 130057479 /nfs/dbraw/zinc/05/74/79/130057479.db2.gz YEYVASGWDFJZNG-FXBFTRHCSA-N 0 3 302.374 1.710 20 10 DDCDHN CN(C)c1ccc(C[NH+]2CCC(c3nc(=O)[n-][nH]3)CC2)cc1 ZINC000289531759 131393384 /nfs/dbraw/zinc/39/33/84/131393384.db2.gz WDVJWZFPYJGPRR-UHFFFAOYSA-N 0 3 301.394 1.544 20 10 DDCDHN COc1ccc([O-])c(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000289555286 131395482 /nfs/dbraw/zinc/39/54/82/131395482.db2.gz ITKGXSBQVRZACA-UHFFFAOYSA-N 0 3 319.361 1.011 20 10 DDCDHN COc1cccc(C[NH+]2CCC(C(=O)NCCCO)CC2)c1[O-] ZINC000271053535 407491005 /nfs/dbraw/zinc/49/10/05/407491005.db2.gz RIKHMBSPVHJFGD-UHFFFAOYSA-N 0 3 322.405 1.111 20 10 DDCDHN CC[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccccc1[O-] ZINC000186172439 407594440 /nfs/dbraw/zinc/59/44/40/407594440.db2.gz DWGCJXOSYHWCGD-OAHLLOKOSA-N 0 3 305.422 1.597 20 10 DDCDHN COC[C@H](O)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268928980 408218160 /nfs/dbraw/zinc/21/81/60/408218160.db2.gz QNLVWCUBZFJZOK-TZMCWYRMSA-N 0 3 312.385 1.320 20 10 DDCDHN CC(C)[C@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269250099 408233945 /nfs/dbraw/zinc/23/39/45/408233945.db2.gz OTJMNBYLBPDKEV-KRWDZBQOSA-N 0 3 319.449 1.495 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)C[C@H]2CNCCO2)cc1 ZINC000269248845 408235204 /nfs/dbraw/zinc/23/52/04/408235204.db2.gz NTHBUFGGBMTTDF-INIZCTEOSA-N 0 3 305.422 1.528 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCCN1 ZINC000163883745 408794141 /nfs/dbraw/zinc/79/41/41/408794141.db2.gz AIKIJKQBKYFDGY-KRWDZBQOSA-N 0 3 317.433 1.624 20 10 DDCDHN COc1cc(O)c(CN2CC[C@H](N3CCCC3=O)C2)cc1OC ZINC000276846396 408902021 /nfs/dbraw/zinc/90/20/21/408902021.db2.gz IPGIZLPQTGEUJW-ZDUSSCGKSA-N 0 3 320.389 1.606 20 10 DDCDHN COc1cc(O)c(CN2CC[C@@]3(CNC(=O)C3)C2)cc1OC ZINC000278793102 409089351 /nfs/dbraw/zinc/08/93/51/409089351.db2.gz PBBKPOARYMOHPD-MRXNPFEDSA-N 0 3 306.362 1.121 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1OC ZINC000278793102 409089352 /nfs/dbraw/zinc/08/93/52/409089352.db2.gz PBBKPOARYMOHPD-MRXNPFEDSA-N 0 3 306.362 1.121 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1OC ZINC000278793102 409089354 /nfs/dbraw/zinc/08/93/54/409089354.db2.gz PBBKPOARYMOHPD-MRXNPFEDSA-N 0 3 306.362 1.121 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCn2cc(CO)nn2)c1 ZINC000289795273 409287078 /nfs/dbraw/zinc/28/70/78/409287078.db2.gz NMWRAPLZBWDSEN-LLVKDONJSA-N 0 3 306.366 1.226 20 10 DDCDHN COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000295096094 409320865 /nfs/dbraw/zinc/32/08/65/409320865.db2.gz SBCPXDMHMSLISF-INIZCTEOSA-N 0 3 309.362 1.412 20 10 DDCDHN COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000295096094 409320867 /nfs/dbraw/zinc/32/08/67/409320867.db2.gz SBCPXDMHMSLISF-INIZCTEOSA-N 0 3 309.362 1.412 20 10 DDCDHN COc1c([O-])c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000373331531 418420838 /nfs/dbraw/zinc/42/08/38/418420838.db2.gz JQVZJZNNQXOCJU-TXEJJXNPSA-N 0 3 307.350 1.302 20 10 DDCDHN COc1c([O-])c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000373331531 418420840 /nfs/dbraw/zinc/42/08/40/418420840.db2.gz JQVZJZNNQXOCJU-TXEJJXNPSA-N 0 3 307.350 1.302 20 10 DDCDHN COc1c([O-])c(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000373331531 418420841 /nfs/dbraw/zinc/42/08/41/418420841.db2.gz JQVZJZNNQXOCJU-TXEJJXNPSA-N 0 3 307.350 1.302 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000373331531 418420842 /nfs/dbraw/zinc/42/08/42/418420842.db2.gz JQVZJZNNQXOCJU-TXEJJXNPSA-N 0 3 307.350 1.302 20 10 DDCDHN COc1ccc([O-])c(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1 ZINC000376051841 418692128 /nfs/dbraw/zinc/69/21/28/418692128.db2.gz BFJSJDOAYLFCAU-UHFFFAOYSA-N 0 3 304.390 1.845 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000368796234 418725317 /nfs/dbraw/zinc/72/53/17/418725317.db2.gz JDEJDKRAHCSYNU-DZGCQCFKSA-N 0 3 324.446 1.999 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000368796234 418725320 /nfs/dbraw/zinc/72/53/20/418725320.db2.gz JDEJDKRAHCSYNU-DZGCQCFKSA-N 0 3 324.446 1.999 20 10 DDCDHN CCOc1cccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O ZINC000368964361 418727000 /nfs/dbraw/zinc/72/70/00/418727000.db2.gz OHEHWCWLRIANHP-LNSITVRQSA-N 0 3 304.390 1.877 20 10 DDCDHN COC[C@H](C)OC[C@@H](O)CNCc1c(C)c2ccccc2n1C ZINC000572114510 421763902 /nfs/dbraw/zinc/76/39/02/421763902.db2.gz YOQKLVAZWLVLAX-ZFWWWQNUSA-N 0 3 320.433 1.989 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000180773809 524737746 /nfs/dbraw/zinc/73/77/46/524737746.db2.gz SLTCRPLXNOFCJF-CYBMUJFWSA-N 0 3 302.378 1.905 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000180773809 524737757 /nfs/dbraw/zinc/73/77/57/524737757.db2.gz SLTCRPLXNOFCJF-CYBMUJFWSA-N 0 3 302.378 1.905 20 10 DDCDHN CN(C)c1ccc(CN2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000273693005 536147442 /nfs/dbraw/zinc/14/74/42/536147442.db2.gz BQBICZQDQIDKIU-HNNXBMFYSA-N 0 3 302.422 1.789 20 10 DDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NCC ZINC000772798441 697679994 /nfs/dbraw/zinc/67/99/94/697679994.db2.gz RGIFPCURGUIECW-LBPRGKRZSA-N 0 3 307.394 1.838 20 10 DDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NCC ZINC000772798441 697679996 /nfs/dbraw/zinc/67/99/96/697679996.db2.gz RGIFPCURGUIECW-LBPRGKRZSA-N 0 3 307.394 1.838 20 10 DDCDHN C[C@@H](N[C@H]1CCCCNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000194478167 697710994 /nfs/dbraw/zinc/71/09/94/697710994.db2.gz JCFVWQMQRBOPAW-PBHICJAKSA-N 0 3 317.433 1.843 20 10 DDCDHN CCN(C)c1ccc(CN2CCC(S(N)(=O)=O)CC2)cc1 ZINC000773806717 697807745 /nfs/dbraw/zinc/80/77/45/697807745.db2.gz HJKHOSAILTXVHD-UHFFFAOYSA-N 0 3 311.451 1.396 20 10 DDCDHN CN1CCN(c2ccc(CN3CCNC(=O)C3(C)C)cc2)CC1 ZINC000775678241 698021460 /nfs/dbraw/zinc/02/14/60/698021460.db2.gz XOZHRJYMPPAWDA-UHFFFAOYSA-N 0 3 316.449 1.149 20 10 DDCDHN COC(=O)CCNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775829958 698042128 /nfs/dbraw/zinc/04/21/28/698042128.db2.gz BRVCHYMIUAEYOV-LBPRGKRZSA-N 0 3 307.394 1.083 20 10 DDCDHN O=C(CNCc1cc2c(cc1O)OCO2)Nc1cccc(F)c1 ZINC000725850060 699336092 /nfs/dbraw/zinc/33/60/92/699336092.db2.gz HWESSPHOHDJXCR-UHFFFAOYSA-N 0 3 318.304 1.988 20 10 DDCDHN CCCN(CC(=O)NC(=O)NC1CC1)Cc1ccccc1O ZINC000727831321 699427599 /nfs/dbraw/zinc/42/75/99/699427599.db2.gz VVYWQIUADHNISX-UHFFFAOYSA-N 0 3 305.378 1.592 20 10 DDCDHN COc1ccc(N2CCN(c3cc(C)nc(N)n3)CC2)cc1F ZINC000754026660 700477158 /nfs/dbraw/zinc/47/71/58/700477158.db2.gz SVWKNQCJOODAMC-UHFFFAOYSA-N 0 3 317.368 1.842 20 10 DDCDHN C[C@H]1OCC[C@@]1(C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000755169599 700554226 /nfs/dbraw/zinc/55/42/26/700554226.db2.gz OBQBDECYYSBEQV-CXAGYDPISA-N 0 3 305.422 1.526 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)[C@@H](O)CO2 ZINC000840117272 701977957 /nfs/dbraw/zinc/97/79/57/701977957.db2.gz AJZLMUVCGOZASL-CRNXPOROSA-N 0 3 319.401 1.943 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)[C@@H](O)CO2 ZINC000840117272 701977958 /nfs/dbraw/zinc/97/79/58/701977958.db2.gz AJZLMUVCGOZASL-CRNXPOROSA-N 0 3 319.401 1.943 20 10 DDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)Cn2ccnn2)c1[O-] ZINC000840804084 702244453 /nfs/dbraw/zinc/24/44/53/702244453.db2.gz ZORHJOVTONVIDP-JQWIXIFHSA-N 0 3 310.785 1.657 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000840940805 702287819 /nfs/dbraw/zinc/28/78/19/702287819.db2.gz GFZPWNMZUJABJR-JKSUJKDBSA-N 0 3 305.466 1.948 20 10 DDCDHN CC(C)(CNC(=O)C(=O)Nc1ccc(N)cc1)N1CCCCC1 ZINC000841001550 702306257 /nfs/dbraw/zinc/30/62/57/702306257.db2.gz PSPMRUSBVIHRDC-UHFFFAOYSA-N 0 3 318.421 1.588 20 10 DDCDHN O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1)N1CCNCC1 ZINC000843046944 702807866 /nfs/dbraw/zinc/80/78/66/702807866.db2.gz IBLGMWURLXRLMK-CQSZACIVSA-N 0 3 321.396 1.175 20 10 DDCDHN O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1)N1CCNCC1 ZINC000843046944 702807869 /nfs/dbraw/zinc/80/78/69/702807869.db2.gz IBLGMWURLXRLMK-CQSZACIVSA-N 0 3 321.396 1.175 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)[C@@H](N)CC(F)F)cc1 ZINC000846697918 703319758 /nfs/dbraw/zinc/31/97/58/703319758.db2.gz YLVROMVEUAZNCA-ZDUSSCGKSA-N 0 3 315.364 1.572 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H]2C[C@@H](O)C2(C)C)cc1 ZINC000846957453 703357458 /nfs/dbraw/zinc/35/74/58/703357458.db2.gz FXZRUNGSHGKAEE-HZPDHXFCSA-N 0 3 319.449 1.460 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2C[C@H]3COC[C@]3(C)C2)cc1 ZINC000852534117 704070045 /nfs/dbraw/zinc/07/00/45/704070045.db2.gz GZNTWCURHKRTPO-YJBOKZPZSA-N 0 3 317.433 1.337 20 10 DDCDHN CNC(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000821390336 704402428 /nfs/dbraw/zinc/40/24/28/704402428.db2.gz ABSHKYLAMVATNE-OAHLLOKOSA-N 0 3 306.406 1.899 20 10 DDCDHN CNC(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000821390336 704402429 /nfs/dbraw/zinc/40/24/29/704402429.db2.gz ABSHKYLAMVATNE-OAHLLOKOSA-N 0 3 306.406 1.899 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC3(CNC(=O)N3C)CC2)c([O-])c1 ZINC000822529770 704968711 /nfs/dbraw/zinc/96/87/11/704968711.db2.gz JARNCUQLXKPDIP-UHFFFAOYSA-N 0 3 319.405 1.781 20 10 DDCDHN CNC(=O)[C@@]1(C)CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862352382 705699200 /nfs/dbraw/zinc/69/92/00/705699200.db2.gz DWRFYJVVBZBNIQ-INIZCTEOSA-N 0 3 311.376 1.989 20 10 DDCDHN COC(=O)[C@]12C[N@H+](Cc3ccc(C)cc3[O-])C[C@H]1COCC2 ZINC000877491625 706121732 /nfs/dbraw/zinc/12/17/32/706121732.db2.gz NPHKZXFFQLRYRV-WMLDXEAASA-N 0 3 305.374 1.712 20 10 DDCDHN COC(=O)[C@]12C[N@@H+](Cc3ccc(C)cc3[O-])C[C@H]1COCC2 ZINC000877491625 706121734 /nfs/dbraw/zinc/12/17/34/706121734.db2.gz NPHKZXFFQLRYRV-WMLDXEAASA-N 0 3 305.374 1.712 20 10 DDCDHN C[C@@H](O)[C@@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000865739979 706511729 /nfs/dbraw/zinc/51/17/29/706511729.db2.gz YRCOOIOPORFBCY-RNCFNFMXSA-N 0 3 306.328 1.603 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2COCC2(C)C)cc1 ZINC000832170561 706859938 /nfs/dbraw/zinc/85/99/38/706859938.db2.gz PAJFMUDWOFKJBD-OAHLLOKOSA-N 0 3 305.422 1.383 20 10 DDCDHN CN1CCN(c2ccc(CN3CC[C@H](O)[C@@H](F)C3)cc2)CC1 ZINC000898187412 708568458 /nfs/dbraw/zinc/56/84/58/708568458.db2.gz JIFUGFFVVOMJCT-IRXDYDNUSA-N 0 3 307.413 1.343 20 10 DDCDHN C[C@H]1C(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C(=O)N1C ZINC000900184735 709319148 /nfs/dbraw/zinc/31/91/48/709319148.db2.gz FWUJXZHMKGMQQN-WFASDCNBSA-N 0 3 318.421 1.638 20 10 DDCDHN Cc1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]1 ZINC000891253384 710143196 /nfs/dbraw/zinc/14/31/96/710143196.db2.gz RZSVTADOXPORKJ-INIZCTEOSA-N 0 3 315.421 1.817 20 10 DDCDHN CC[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1ccc(C)cc1[O-] ZINC000903279663 711086166 /nfs/dbraw/zinc/08/61/66/711086166.db2.gz RBHRZXCNPYGDIC-RDJZCZTQSA-N 0 3 308.422 1.434 20 10 DDCDHN COC(=O)[C@H]1[C@@H](C[NH2+]Cc2ccc(OC)cc2[O-])C1(F)F ZINC000894635929 711225292 /nfs/dbraw/zinc/22/52/92/711225292.db2.gz JJNLUEWZEKUBGF-ZYHUDNBSSA-N 0 3 301.289 1.545 20 10 DDCDHN COc1ccc(CN2CC[C@@](O)(C(F)F)C2)c(O)c1OC ZINC000894706822 711243704 /nfs/dbraw/zinc/24/37/04/711243704.db2.gz HIQCACMKKSXUAQ-AWEZNQCLSA-N 0 3 303.305 1.611 20 10 DDCDHN CNC(=O)[C@H](CCSC)NCc1cc(C)cc(OC)c1O ZINC000894787594 711271625 /nfs/dbraw/zinc/27/16/25/711271625.db2.gz UKHZPMDJKVTZMQ-LBPRGKRZSA-N 0 3 312.435 1.667 20 10 DDCDHN C[C@H]1[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C ZINC000919908846 713641673 /nfs/dbraw/zinc/64/16/73/713641673.db2.gz KMVYLTQBYOCIFE-WMLDXEAASA-N 0 3 314.433 1.955 20 10 DDCDHN COc1ccc(CNCC2OCCCO2)cc1Cn1cccn1 ZINC000922280330 714010490 /nfs/dbraw/zinc/01/04/90/714010490.db2.gz IVFYRWWBWDFGHG-UHFFFAOYSA-N 0 3 317.389 1.793 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CNCCS2(=O)=O)c([O-])c1 ZINC000925801897 714938703 /nfs/dbraw/zinc/93/87/03/714938703.db2.gz YPJOFSOYORDQFG-CHWSQXEVSA-N 0 3 312.435 1.128 20 10 DDCDHN CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc([O-])cs1)C2 ZINC000926149468 715015156 /nfs/dbraw/zinc/01/51/56/715015156.db2.gz BNNLPEHAYRQCKE-ZNEHSRBWSA-N 0 3 324.446 1.663 20 10 DDCDHN CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc([O-])cs1)C2 ZINC000926149468 715015158 /nfs/dbraw/zinc/01/51/58/715015158.db2.gz BNNLPEHAYRQCKE-ZNEHSRBWSA-N 0 3 324.446 1.663 20 10 DDCDHN COc1ccc(N2CC[C@H](N[C@H](C)c3cnnn3C)C2)cc1 ZINC000926680463 715112400 /nfs/dbraw/zinc/11/24/00/715112400.db2.gz ORRXQTHXFYOQMH-OLZOCXBDSA-N 0 3 301.394 1.753 20 10 DDCDHN Oc1cc(O)c(CCNc2ccc3c(n2)CNCC3)cc1O ZINC001168005869 740536285 /nfs/dbraw/zinc/53/62/85/740536285.db2.gz HCPQJMLXFZSUSF-UHFFFAOYSA-N 0 3 301.346 1.499 20 10 DDCDHN CCS(=O)(=O)C[C@H](C)NCc1cc(C)cc(OC)c1O ZINC001119509469 781488599 /nfs/dbraw/zinc/48/85/99/781488599.db2.gz GAQVGZDGJKMOLV-NSHDSACASA-N 0 3 301.408 1.622 20 10 DDCDHN Cc1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC001275311952 852972515 /nfs/dbraw/zinc/97/25/15/852972515.db2.gz WFHBYVCFRLZEPU-IYBDPMFKSA-N 0 3 317.433 1.437 20 10 DDCDHN Oc1ccc(CN2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)cc1O ZINC001275821549 853818656 /nfs/dbraw/zinc/81/86/56/853818656.db2.gz TWMBYCHFZFUGDD-GJZGRUSLSA-N 0 3 314.389 1.670 20 10 DDCDHN COCCOCN1C[C@@H]2CC[N@H+](Cc3ccc(O)cc3[O-])[C@@H]2C1 ZINC001275953143 854012184 /nfs/dbraw/zinc/01/21/84/854012184.db2.gz RYUYCODDYLUOFJ-XJKSGUPXSA-N 0 3 322.405 1.224 20 10 DDCDHN COCCOCN1C[C@@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])[C@@H]2C1 ZINC001275953143 854012186 /nfs/dbraw/zinc/01/21/86/854012186.db2.gz RYUYCODDYLUOFJ-XJKSGUPXSA-N 0 3 322.405 1.224 20 10 DDCDHN Cc1c(O)ccc(CN2CCC[C@@H](NC(=O)N(C)C)C2)c1O ZINC001140749657 860691425 /nfs/dbraw/zinc/69/14/25/860691425.db2.gz IILDBZGIEDZDCT-CYBMUJFWSA-N 0 3 307.394 1.642 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c(OC)c1 ZINC001141035024 860770242 /nfs/dbraw/zinc/77/02/42/860770242.db2.gz ZBTPCJQTZIIJCA-QGZVFWFLSA-N 0 3 320.389 1.512 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@]3(CCNC3=O)C2)c(OC)c1 ZINC001141035024 860770248 /nfs/dbraw/zinc/77/02/48/860770248.db2.gz ZBTPCJQTZIIJCA-QGZVFWFLSA-N 0 3 320.389 1.512 20 10 DDCDHN CCCNC(=O)COC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203563119 870643877 /nfs/dbraw/zinc/64/38/77/870643877.db2.gz VUOJWBVVPQDQJD-UHFFFAOYSA-N 0 3 306.406 1.899 20 10 DDCDHN CN1CCN(CC[NH2+]Cc2cc(F)c(F)cc2[O-])CC1(C)C ZINC001308717068 871521530 /nfs/dbraw/zinc/52/15/30/871521530.db2.gz ZWHVOIWTWYPSJD-UHFFFAOYSA-N 0 3 313.392 1.786 20 10 DDCDHN NC(=O)C[C@H](N)Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217734733 877293676 /nfs/dbraw/zinc/29/36/76/877293676.db2.gz CBFAYBHGJOSZJJ-LBPRGKRZSA-N 0 3 311.345 1.273 20 10 DDCDHN Nc1ccc(CNC(=O)NC[C@H]2Cc3ccccc3CN2)cc1 ZINC001357668159 880127218 /nfs/dbraw/zinc/12/72/18/880127218.db2.gz LCZDDCBNXDVTBG-QGZVFWFLSA-N 0 3 310.401 1.783 20 10 DDCDHN O=C1CCC[C@]2(CCCN(Cc3cc(O)c(O)cc3O)C2)N1 ZINC001233484753 887017299 /nfs/dbraw/zinc/01/72/99/887017299.db2.gz WFJKSPHFXTXZPN-MRXNPFEDSA-N 0 3 306.362 1.438 20 10 DDCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235059591 888382784 /nfs/dbraw/zinc/38/27/84/888382784.db2.gz DNMSWJQERIMKQZ-CQSZACIVSA-N 0 3 315.339 1.548 20 10 DDCDHN CCc1ccc(CN2CCC[C@@H](NC(=O)COC)C2)c(O)c1 ZINC001236786895 889352315 /nfs/dbraw/zinc/35/23/15/889352315.db2.gz FGTXWHUPHPHAMV-OAHLLOKOSA-N 0 3 306.406 1.682 20 10 DDCDHN CC/C=C(\C)C(=O)NC[C@@H](CO)NCc1ccc(OC)c(C)c1 ZINC001278054741 889506504 /nfs/dbraw/zinc/50/65/04/889506504.db2.gz VVZKDHDYSBNKPJ-XNWJVHIKSA-N 0 3 320.433 1.927 20 10 DDCDHN COCCCN1CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237672722 889793661 /nfs/dbraw/zinc/79/36/61/889793661.db2.gz ADDOAQUGOQYIKU-UHFFFAOYSA-N 0 3 324.421 1.564 20 10 DDCDHN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccc3cc2[O-])CN1 ZINC001246317020 892534819 /nfs/dbraw/zinc/53/48/19/892534819.db2.gz JWBCDEZSFOVRIG-HOTGVXAUSA-N 0 3 314.385 1.929 20 10 DDCDHN Cc1ccccc1OC[C@H](O)CNCc1ccc(O)c(O)c1 ZINC001251736699 894792843 /nfs/dbraw/zinc/79/28/43/894792843.db2.gz YTTITOJGICZPGY-CQSZACIVSA-N 0 3 303.358 1.936 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1 ZINC000273542978 130135460 /nfs/dbraw/zinc/13/54/60/130135460.db2.gz YTVLLBZKBZSMJS-GXTWGEPZSA-N 0 3 323.389 1.974 20 10 DDCDHN COC(=O)c1cn(CC[NH2+]Cc2cc(C)c(C)cc2[O-])nn1 ZINC000284065817 131044821 /nfs/dbraw/zinc/04/48/21/131044821.db2.gz QDJVFWUMVCUTDA-UHFFFAOYSA-N 0 3 304.350 1.177 20 10 DDCDHN CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000285475706 131172026 /nfs/dbraw/zinc/17/20/26/131172026.db2.gz KUUFGNMUXNDZNJ-JSGCOSHPSA-N 0 3 312.435 1.590 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000124505872 407360345 /nfs/dbraw/zinc/36/03/45/407360345.db2.gz RSEHELPADCGPON-OAHLLOKOSA-N 0 3 318.417 1.771 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000124505872 407360347 /nfs/dbraw/zinc/36/03/47/407360347.db2.gz RSEHELPADCGPON-OAHLLOKOSA-N 0 3 318.417 1.771 20 10 DDCDHN COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000271103602 407516089 /nfs/dbraw/zinc/51/60/89/407516089.db2.gz QMTAQGLVSPKJBJ-GFCCVEGCSA-N 0 3 309.362 1.937 20 10 DDCDHN COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000271103602 407516092 /nfs/dbraw/zinc/51/60/92/407516092.db2.gz QMTAQGLVSPKJBJ-GFCCVEGCSA-N 0 3 309.362 1.937 20 10 DDCDHN COC(=O)C[C@H]1CCCN1Cc1cc(OC)c(OC)cc1O ZINC000271103602 407516100 /nfs/dbraw/zinc/51/61/00/407516100.db2.gz QMTAQGLVSPKJBJ-GFCCVEGCSA-N 0 3 309.362 1.937 20 10 DDCDHN Cc1cccc(CN2CCCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000271749997 407730287 /nfs/dbraw/zinc/73/02/87/407730287.db2.gz UYESDPIHRJNUCI-CQSZACIVSA-N 0 3 312.435 1.604 20 10 DDCDHN CCO[C@@H]1C[C@](N)(C(=O)N(C)Cc2ccccc2O)C1(C)C ZINC000186723808 407755551 /nfs/dbraw/zinc/75/55/51/407755551.db2.gz OJEQVXQGTOIFTG-PBHICJAKSA-N 0 3 306.406 1.883 20 10 DDCDHN C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccccc1[O-] ZINC000285705372 408847060 /nfs/dbraw/zinc/84/70/60/408847060.db2.gz PFCQKVODMOHJIF-CHWSQXEVSA-N 0 3 324.446 1.999 20 10 DDCDHN COC[C@@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280928411 408859963 /nfs/dbraw/zinc/85/99/63/408859963.db2.gz QFOQUILOUYNYHR-LBPRGKRZSA-N 0 3 306.328 1.868 20 10 DDCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CCN(C)CC1 ZINC000291676822 408906295 /nfs/dbraw/zinc/90/62/95/408906295.db2.gz MMEVWPSQYDEERF-GFCCVEGCSA-N 0 3 306.406 1.877 20 10 DDCDHN CC[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccccc1[O-] ZINC000282430961 409052868 /nfs/dbraw/zinc/05/28/68/409052868.db2.gz DEAGPDOWQHWUIE-OAHLLOKOSA-N 0 3 309.406 1.991 20 10 DDCDHN COc1c([O-])c(CN2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000278153565 409073548 /nfs/dbraw/zinc/07/35/48/409073548.db2.gz CMRORKPDEMXMQA-LLVKDONJSA-N 0 3 309.366 1.693 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CC[C@H](CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000278153565 409073550 /nfs/dbraw/zinc/07/35/50/409073550.db2.gz CMRORKPDEMXMQA-LLVKDONJSA-N 0 3 309.366 1.693 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CC[C@H](CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000278153565 409073551 /nfs/dbraw/zinc/07/35/51/409073551.db2.gz CMRORKPDEMXMQA-LLVKDONJSA-N 0 3 309.366 1.693 20 10 DDCDHN CCOC1CC(O)(C[NH2+]Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000278661877 409086529 /nfs/dbraw/zinc/08/65/29/409086529.db2.gz KTPBPEBLCSXWAX-UHFFFAOYSA-N 0 3 311.378 1.429 20 10 DDCDHN CN(C)c1ccc(CNCC2(S(C)(=O)=O)CCC2)cc1F ZINC000279675398 409245967 /nfs/dbraw/zinc/24/59/67/409245967.db2.gz IGFNOGMMFPANAR-UHFFFAOYSA-N 0 3 314.426 1.949 20 10 DDCDHN CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@H](O)C(F)F ZINC000295082323 409316586 /nfs/dbraw/zinc/31/65/86/409316586.db2.gz QNBNSGQFXCYWCX-RNCFNFMXSA-N 0 3 305.321 1.904 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000296514654 409593790 /nfs/dbraw/zinc/59/37/90/409593790.db2.gz PQSOGJSAXPCAEB-ONGXEEELSA-N 0 3 304.387 1.510 20 10 DDCDHN O=C(NCC1CCOCC1)[C@@H]1CCCN1Cc1ccccc1O ZINC000374382657 418523652 /nfs/dbraw/zinc/52/36/52/418523652.db2.gz BABTVTNQDBAOCF-INIZCTEOSA-N 0 3 318.417 1.899 20 10 DDCDHN O=C1NC(=O)[C@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@H]12 ZINC000367780952 418634968 /nfs/dbraw/zinc/63/49/68/418634968.db2.gz RKVYSJZXQBZAKH-ZFWWWQNUSA-N 0 3 310.353 1.640 20 10 DDCDHN O=C1NC(=O)[C@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C[C@H]12 ZINC000367780952 418634970 /nfs/dbraw/zinc/63/49/70/418634970.db2.gz RKVYSJZXQBZAKH-ZFWWWQNUSA-N 0 3 310.353 1.640 20 10 DDCDHN c1ncn([C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000364512551 418782985 /nfs/dbraw/zinc/78/29/85/418782985.db2.gz RVXBFUKVIOOSKQ-QGZVFWFLSA-N 0 3 313.405 1.562 20 10 DDCDHN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cccc(OC)c1O ZINC000372280778 418850805 /nfs/dbraw/zinc/85/08/05/418850805.db2.gz GBUBKXGEFIRWNV-KGLIPLIRSA-N 0 3 323.389 1.943 20 10 DDCDHN CS(=O)(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000297581057 277496494 /nfs/dbraw/zinc/49/64/94/277496494.db2.gz HCXWPCJTTHQBRT-OLZOCXBDSA-N 0 3 310.419 1.393 20 10 DDCDHN CC[C@@H](C)[C@H](N)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000236905382 522366601 /nfs/dbraw/zinc/36/66/01/522366601.db2.gz MIHIBQCFZWMBRE-WBMJQRKESA-N 0 3 323.412 1.856 20 10 DDCDHN COCCC[NH+]1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000188373404 523297753 /nfs/dbraw/zinc/29/77/53/523297753.db2.gz DKSGEKPZKPYPGU-UHFFFAOYSA-N 0 3 308.378 1.329 20 10 DDCDHN COc1ccc(O)c(CN[C@@H](C)C(=O)NCc2ccco2)c1 ZINC000181198939 524751555 /nfs/dbraw/zinc/75/15/55/524751555.db2.gz JMFHOSJFJCFTER-NSHDSACASA-N 0 3 304.346 1.788 20 10 DDCDHN COc1cccc(CN2CCN(CC(C)(C)O)[C@H](C)C2)c1O ZINC000188897772 525944500 /nfs/dbraw/zinc/94/45/00/525944500.db2.gz HDIAJMLWDPXTNY-CYBMUJFWSA-N 0 3 308.422 1.678 20 10 DDCDHN CC(C)[NH+]1CCC(O)(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000279361873 535163977 /nfs/dbraw/zinc/16/39/77/535163977.db2.gz SSQYNWHRYOFLQE-UHFFFAOYSA-N 0 3 308.378 1.063 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1[C@@H](C)CC[C@@H]1C)cc2=O ZINC000123253649 696730263 /nfs/dbraw/zinc/73/02/63/696730263.db2.gz DRRHPEBDJGTBHL-QWRGUYRKSA-N 0 3 318.377 1.984 20 10 DDCDHN NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccccc2[O-])cc1 ZINC000042477297 696148962 /nfs/dbraw/zinc/14/89/62/696148962.db2.gz HTJIHOHUFRBLIF-UHFFFAOYSA-N 0 3 306.387 1.372 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000772599984 697652132 /nfs/dbraw/zinc/65/21/32/697652132.db2.gz QEAXXTDMLCGTLX-UHFFFAOYSA-N 0 3 305.378 1.390 20 10 DDCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NC(=O)NC(C)C)c1 ZINC000775370927 697989427 /nfs/dbraw/zinc/98/94/27/697989427.db2.gz XNMKRQDAQSHWHN-GHMZBOCLSA-N 0 3 323.393 1.674 20 10 DDCDHN CN1CCN(c2ccc(CN3C[C@H]4CC[C@@H](C3)O4)cc2)CC1 ZINC000775700631 698024315 /nfs/dbraw/zinc/02/43/15/698024315.db2.gz LLZICTNJTPCEHY-HDICACEKSA-N 0 3 301.434 1.802 20 10 DDCDHN Cc1cc(Br)cc(C[N@H+](C)CCOCCO)c1[O-] ZINC000800545502 700231904 /nfs/dbraw/zinc/23/19/04/700231904.db2.gz TVVAKWYZHJCLAA-UHFFFAOYSA-N 0 3 318.211 1.904 20 10 DDCDHN Cc1cc(Br)cc(C[N@@H+](C)CCOCCO)c1[O-] ZINC000800545502 700231908 /nfs/dbraw/zinc/23/19/08/700231908.db2.gz TVVAKWYZHJCLAA-UHFFFAOYSA-N 0 3 318.211 1.904 20 10 DDCDHN COCCN(Cc1cc(OC)c(OC)cc1O)[C@H]1CCOC1 ZINC000782960571 698789235 /nfs/dbraw/zinc/78/92/35/698789235.db2.gz HELWFDANMLQJQF-ZDUSSCGKSA-N 0 3 311.378 1.647 20 10 DDCDHN Cc1cc(Br)cc(C[N@H+](C)CCC(N)=O)c1[O-] ZINC000382383518 699067426 /nfs/dbraw/zinc/06/74/26/699067426.db2.gz PTRBTEJAXQNHOU-UHFFFAOYSA-N 0 3 301.184 1.770 20 10 DDCDHN Cc1cc(Br)cc(C[N@@H+](C)CCC(N)=O)c1[O-] ZINC000382383518 699067430 /nfs/dbraw/zinc/06/74/30/699067430.db2.gz PTRBTEJAXQNHOU-UHFFFAOYSA-N 0 3 301.184 1.770 20 10 DDCDHN CCOCCOC[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000790761713 699595735 /nfs/dbraw/zinc/59/57/35/699595735.db2.gz WSDMQTKUNMZMLD-WCQYABFASA-N 0 3 301.358 1.596 20 10 DDCDHN C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1[O-] ZINC000756547775 700627193 /nfs/dbraw/zinc/62/71/93/700627193.db2.gz HKPLXWXFRVPZRS-CHWSQXEVSA-N 0 3 323.412 1.769 20 10 DDCDHN CN(C)C(=O)NCCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000757863658 700674513 /nfs/dbraw/zinc/67/45/13/700674513.db2.gz FYBSBFBPVMNEES-UHFFFAOYSA-N 0 3 320.437 1.226 20 10 DDCDHN CCOC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768438524 701176858 /nfs/dbraw/zinc/17/68/58/701176858.db2.gz SYSGOFRZDXMODA-NHYWBVRUSA-N 0 3 321.373 1.593 20 10 DDCDHN CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768438524 701176859 /nfs/dbraw/zinc/17/68/59/701176859.db2.gz SYSGOFRZDXMODA-NHYWBVRUSA-N 0 3 321.373 1.593 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCS[C@@H]3COCC[C@@H]31)[C@H](O)CO2 ZINC000768461337 701179092 /nfs/dbraw/zinc/17/90/92/701179092.db2.gz AXFDSVKVEBAHFO-JGGQBBKZSA-N 0 3 323.414 1.524 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCS[C@@H]3COCC[C@@H]31)[C@H](O)CO2 ZINC000768461337 701179093 /nfs/dbraw/zinc/17/90/93/701179093.db2.gz AXFDSVKVEBAHFO-JGGQBBKZSA-N 0 3 323.414 1.524 20 10 DDCDHN COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868281333 702039431 /nfs/dbraw/zinc/03/94/31/702039431.db2.gz OTILOQZJXCGJFM-ZIAGYGMSSA-N 0 3 321.421 1.863 20 10 DDCDHN COc1ccc(N(C)C[C@@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000841011901 702310237 /nfs/dbraw/zinc/31/02/37/702310237.db2.gz ROFAILZWFQMHPG-ZDUSSCGKSA-N 0 3 321.421 1.337 20 10 DDCDHN C[C@H](NC(=O)N1CCOC2(CNC2)C1)c1ccc(N(C)C)cc1 ZINC000841880844 702605198 /nfs/dbraw/zinc/60/51/98/702605198.db2.gz IRGRRJRYHOCBMF-ZDUSSCGKSA-N 0 3 318.421 1.197 20 10 DDCDHN CCOc1ccc(C[NH2+]CCCCS(C)(=O)=O)c([O-])c1 ZINC000818224982 702610980 /nfs/dbraw/zinc/61/09/80/702610980.db2.gz VDSFRNKYPJQBDQ-UHFFFAOYSA-N 0 3 301.408 1.705 20 10 DDCDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](N)C3CCC3)C2)cc1 ZINC000818269575 702621404 /nfs/dbraw/zinc/62/14/04/702621404.db2.gz FEXDSXQNEGHPDE-SUMWQHHRSA-N 0 3 317.433 1.765 20 10 DDCDHN CC[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccccc1[O-] ZINC000866521585 706720649 /nfs/dbraw/zinc/72/06/49/706720649.db2.gz NRVWQTOXGFNVBO-XJKSGUPXSA-N 0 3 306.362 1.654 20 10 DDCDHN CCCN(C)CC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846446111 703277352 /nfs/dbraw/zinc/27/73/52/703277352.db2.gz JGQISTJZMZEOHE-UHFFFAOYSA-N 0 3 307.438 1.932 20 10 DDCDHN CCOc1cccc(CN[C@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC000850368131 703727781 /nfs/dbraw/zinc/72/77/81/703727781.db2.gz IZUPNVRDUXDIGV-YPMHNXCESA-N 0 3 313.419 1.846 20 10 DDCDHN Nc1ccc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000850750399 703749098 /nfs/dbraw/zinc/74/90/98/703749098.db2.gz KBXBSRDAXJTYIF-OAHLLOKOSA-N 0 3 304.394 1.644 20 10 DDCDHN O=C1C[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CN1 ZINC000851840926 703868420 /nfs/dbraw/zinc/86/84/20/703868420.db2.gz MBAWEAASQMQSDG-HIFRSBDPSA-N 0 3 304.390 1.509 20 10 DDCDHN O=C1C[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CN1 ZINC000851840926 703868423 /nfs/dbraw/zinc/86/84/23/703868423.db2.gz MBAWEAASQMQSDG-HIFRSBDPSA-N 0 3 304.390 1.509 20 10 DDCDHN CCN(CC)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855230686 704474265 /nfs/dbraw/zinc/47/42/65/704474265.db2.gz HUURYBJEUQMMNA-CQSZACIVSA-N 0 3 305.422 1.732 20 10 DDCDHN COc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](O)C2)c1[O-] ZINC000825256982 705634005 /nfs/dbraw/zinc/63/40/05/705634005.db2.gz PNGIVSYTVMHCGC-AOOOYVTPSA-N 0 3 302.168 1.776 20 10 DDCDHN CC1CCN(c2ccc(CNC(=O)[C@@H](N)CN(C)C)cc2)CC1 ZINC000876756660 705859757 /nfs/dbraw/zinc/85/97/57/705859757.db2.gz VQSVCGCFUQUUDM-KRWDZBQOSA-N 0 3 318.465 1.428 20 10 DDCDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c([O-])c1 ZINC000877502049 706125060 /nfs/dbraw/zinc/12/50/60/706125060.db2.gz ZMEGODBARUGQRH-GXTWGEPZSA-N 0 3 312.435 1.508 20 10 DDCDHN COc1cc(O)c(CN[C@@H](C)[C@H](O)C(F)(F)F)cc1OC ZINC000877693257 706180899 /nfs/dbraw/zinc/18/08/99/706180899.db2.gz DGXCXNZGMLCBSM-MADCSZMMSA-N 0 3 309.284 1.811 20 10 DDCDHN CN(C)c1ccc(/C=C\CN2CCC(CO)(CO)CC2)cc1 ZINC000877796091 706218217 /nfs/dbraw/zinc/21/82/17/706218217.db2.gz HJUFIHCEEVPTME-ARJAWSKDSA-N 0 3 304.434 1.833 20 10 DDCDHN COC1CCN(c2ccc(CN3CCOC[C@H](O)C3)cc2)CC1 ZINC000830638342 706550699 /nfs/dbraw/zinc/55/06/99/706550699.db2.gz BHNMXTXJVKDBKB-QGZVFWFLSA-N 0 3 320.433 1.495 20 10 DDCDHN CCO[C@@H](C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-])CN(C)C ZINC000926960892 712922963 /nfs/dbraw/zinc/92/29/63/712922963.db2.gz NNIGJRNTZUAVKO-OCCSQVGLSA-N 0 3 324.421 1.796 20 10 DDCDHN CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000898356473 708620024 /nfs/dbraw/zinc/62/00/24/708620024.db2.gz QNRGQOGHFHSARZ-DGCLKSJQSA-N 0 3 312.341 1.070 20 10 DDCDHN CCOC(=O)N1C[C@@H](CO)[C@@H](NCc2ccc3c(c2)CCO3)C1 ZINC000898359038 708621372 /nfs/dbraw/zinc/62/13/72/708621372.db2.gz LWPREVCXROHRQA-GJZGRUSLSA-N 0 3 320.389 1.160 20 10 DDCDHN CN(C)c1ccc([C@H](CNCc2cn(C)nn2)N(C)C)cc1 ZINC000898451890 708645065 /nfs/dbraw/zinc/64/50/65/708645065.db2.gz QDBGSTJEPREICZ-INIZCTEOSA-N 0 3 302.426 1.274 20 10 DDCDHN C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000899810861 709203238 /nfs/dbraw/zinc/20/32/38/709203238.db2.gz SCHKESVBRUYCEW-GFCCVEGCSA-N 0 3 313.357 1.844 20 10 DDCDHN CN(C)c1ccc([C@@H](CN2C(=O)N[C@H](CF)C2=O)N(C)C)cc1 ZINC000900185070 709319561 /nfs/dbraw/zinc/31/95/61/709319561.db2.gz JFWAOMIXELZMBR-ZIAGYGMSSA-N 0 3 322.384 1.245 20 10 DDCDHN COC[C@@H](OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248643 710141148 /nfs/dbraw/zinc/14/11/48/710141148.db2.gz ZOHFECLHWRUPMQ-HZPDHXFCSA-N 0 3 323.437 1.133 20 10 DDCDHN CCO[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251192 710141847 /nfs/dbraw/zinc/14/18/47/710141847.db2.gz ATDCEJZWIHMASI-CJNGLKHVSA-N 0 3 307.438 1.897 20 10 DDCDHN COC(=O)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256282 710143685 /nfs/dbraw/zinc/14/36/85/710143685.db2.gz XCFFXQCBYHGHIH-AWEZNQCLSA-N 0 3 307.394 1.035 20 10 DDCDHN COC(=O)[C@@H]1C[C@H](O)CN(Cc2cc(C)cc(OC)c2O)C1 ZINC000895087301 711403455 /nfs/dbraw/zinc/40/34/55/711403455.db2.gz CCHTVCJQDCLNMG-OLZOCXBDSA-N 0 3 309.362 1.065 20 10 DDCDHN CC1(C)CNC(=O)[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000895318551 711482586 /nfs/dbraw/zinc/48/25/86/711482586.db2.gz WCHJCLRZZOPRBM-HNNXBMFYSA-N 0 3 303.406 1.137 20 10 DDCDHN Cc1nc([C@@H]2CCN(Cc3cc4c(cc3O)OCO4)C2)no1 ZINC000905685844 712117901 /nfs/dbraw/zinc/11/79/01/712117901.db2.gz ZZPJDLMOZJYDRW-SNVBAGLBSA-N 0 3 303.318 1.802 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](C3OCCO3)C1)[C@@H](O)CO2 ZINC000905697297 712122169 /nfs/dbraw/zinc/12/21/69/712122169.db2.gz VNSPQHYMBKUYJK-HZMBPMFUSA-N 0 3 307.346 1.013 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](C3OCCO3)C1)[C@@H](O)CO2 ZINC000905697297 712122170 /nfs/dbraw/zinc/12/21/70/712122170.db2.gz VNSPQHYMBKUYJK-HZMBPMFUSA-N 0 3 307.346 1.013 20 10 DDCDHN COc1ccc(CNC[C@@]2(OC)CCS(=O)(=O)C2)cc1C ZINC000922616364 714101292 /nfs/dbraw/zinc/10/12/92/714101292.db2.gz VMUMGJGTHJJVQW-HNNXBMFYSA-N 0 3 313.419 1.297 20 10 DDCDHN COc1ccc(N2CC[C@H](N[C@@H]3C(=O)NCC3(C)C)C2)cc1 ZINC000926679952 715112009 /nfs/dbraw/zinc/11/20/09/715112009.db2.gz HOUVSRWJHAIKDA-SWLSCSKDSA-N 0 3 303.406 1.388 20 10 DDCDHN [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590342 773542198 /nfs/dbraw/zinc/54/21/98/773542198.db2.gz IBMMGYUITIJYHI-ZDUSSCGKSA-N 0 3 314.341 1.329 20 10 DDCDHN COc1ccc(N2CCCN(C[C@H]3CN(C)C(=O)O3)CC2)cc1 ZINC001117741822 780893137 /nfs/dbraw/zinc/89/31/37/780893137.db2.gz IMORXAMHRFGIKX-MRXNPFEDSA-N 0 3 319.405 1.658 20 10 DDCDHN COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC001118631829 781184005 /nfs/dbraw/zinc/18/40/05/781184005.db2.gz ZZUDSYWMPCAQFD-JKSUJKDBSA-N 0 3 304.390 1.707 20 10 DDCDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccc(N)cc2)CC1 ZINC001120371077 781901507 /nfs/dbraw/zinc/90/15/07/781901507.db2.gz OWVJHSPRRXNLSU-INIZCTEOSA-N 0 3 302.422 1.007 20 10 DDCDHN CN1CC2(C1)CN(Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001140288193 860612838 /nfs/dbraw/zinc/61/28/38/860612838.db2.gz KEVOAUDBSPZYAE-UHFFFAOYSA-N 0 3 301.434 1.395 20 10 DDCDHN Cc1cncnc1O[C@@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141162902 860799321 /nfs/dbraw/zinc/79/93/21/860799321.db2.gz KCNWUDPKLMCQEZ-CQSZACIVSA-N 0 3 301.346 1.850 20 10 DDCDHN Nc1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC001335737502 868506360 /nfs/dbraw/zinc/50/63/60/868506360.db2.gz QLFMKAOZCWDNNM-HOTGVXAUSA-N 0 3 318.421 1.009 20 10 DDCDHN COCCN1CC[C@@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001203552999 870635778 /nfs/dbraw/zinc/63/57/78/870635778.db2.gz XUYYTIPCEHUVJM-GOSISDBHSA-N 0 3 318.417 1.853 20 10 DDCDHN COCCN1CC[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001203552999 870635792 /nfs/dbraw/zinc/63/57/92/870635792.db2.gz XUYYTIPCEHUVJM-GOSISDBHSA-N 0 3 318.417 1.853 20 10 DDCDHN CC[C@@H](C)C[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001341554930 871710373 /nfs/dbraw/zinc/71/03/73/871710373.db2.gz GRQZWTBBMRIUCT-PBHICJAKSA-N 0 3 319.449 1.903 20 10 DDCDHN O=C(NCc1c[nH]cn1)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2 ZINC001277440779 884291078 /nfs/dbraw/zinc/29/10/78/884291078.db2.gz DVTJPPPHNYVWKG-UHFFFAOYSA-N 0 3 312.373 1.444 20 10 DDCDHN CCN(C(C)=O)C1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231639851 885777873 /nfs/dbraw/zinc/77/78/73/885777873.db2.gz MACQTFIUJQKRJO-UHFFFAOYSA-N 0 3 322.405 1.939 20 10 DDCDHN NC(=O)[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232203014 886155937 /nfs/dbraw/zinc/15/59/37/886155937.db2.gz LKVSFDBCPRBZHW-CYBMUJFWSA-N 0 3 323.824 1.484 20 10 DDCDHN CC(C)(C)[N@@H+](Cc1cc(Cl)c([O-])cc1O)C[C@@H](O)CO ZINC001232260012 886192521 /nfs/dbraw/zinc/19/25/21/886192521.db2.gz OMWWVHPFQOXFGG-SNVBAGLBSA-N 0 3 303.786 1.705 20 10 DDCDHN CC(C)(C)[N@H+](Cc1cc(Cl)c([O-])cc1O)C[C@@H](O)CO ZINC001232260012 886192534 /nfs/dbraw/zinc/19/25/34/886192534.db2.gz OMWWVHPFQOXFGG-SNVBAGLBSA-N 0 3 303.786 1.705 20 10 DDCDHN COc1cc(O)c(CN2CCC3(CC(=O)CO3)CC2)cc1OC ZINC001236749432 889329369 /nfs/dbraw/zinc/32/93/69/889329369.db2.gz HXHZMXLZGRQRKK-UHFFFAOYSA-N 0 3 321.373 1.733 20 10 DDCDHN CN(Cc1cc(OCc2ccccc2)ccc1O)C[C@H](O)CO ZINC001236778454 889354493 /nfs/dbraw/zinc/35/44/93/889354493.db2.gz GBRFWRVRJBGALC-INIZCTEOSA-N 0 3 317.385 1.756 20 10 DDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1Br ZINC001237679857 889802487 /nfs/dbraw/zinc/80/24/87/889802487.db2.gz VPPDGJJHTMGGSN-SECBINFHSA-N 0 3 313.195 1.770 20 10 DDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C(N)=O)C2)cc1Br ZINC001237679857 889802497 /nfs/dbraw/zinc/80/24/97/889802497.db2.gz VPPDGJJHTMGGSN-SECBINFHSA-N 0 3 313.195 1.770 20 10 DDCDHN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NS(=O)(=O)CCN ZINC001238919173 890398446 /nfs/dbraw/zinc/39/84/46/890398446.db2.gz IUTZVJOEUFBWDQ-CQSZACIVSA-N 0 3 312.435 1.511 20 10 DDCDHN COC(=O)Cc1ccc(CN2CC(N3CCCC3)C2)c(O)c1 ZINC001249201403 893864566 /nfs/dbraw/zinc/86/45/66/893864566.db2.gz RNJHVZAALMBSSC-UHFFFAOYSA-N 0 3 304.390 1.388 20 10 DDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)COCC(F)(F)C(F)F ZINC001251622325 894753720 /nfs/dbraw/zinc/75/37/20/894753720.db2.gz MGAJYWCIHKZQGL-SNVBAGLBSA-N 0 3 311.275 1.760 20 10 DDCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cn(C)c(=O)n(C)c1=O ZINC000092705043 185334115 /nfs/dbraw/zinc/33/41/15/185334115.db2.gz POFGXBMIDYPLMY-UHFFFAOYSA-N 0 3 317.389 1.202 20 10 DDCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cn(C)c(=O)n(C)c1=O ZINC000092705043 185334116 /nfs/dbraw/zinc/33/41/16/185334116.db2.gz POFGXBMIDYPLMY-UHFFFAOYSA-N 0 3 317.389 1.202 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188700356 282573030 /nfs/dbraw/zinc/57/30/30/282573030.db2.gz BWSOWLHQFWGFCD-GOEBONIOSA-N 0 3 321.396 1.182 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c1 ZINC000273542981 130135663 /nfs/dbraw/zinc/13/56/63/130135663.db2.gz YTVLLBZKBZSMJS-JSGCOSHPSA-N 0 3 323.389 1.974 20 10 DDCDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccccc1O ZINC000274462605 130237548 /nfs/dbraw/zinc/23/75/48/130237548.db2.gz BXVGKEMRQZGTJI-AWEZNQCLSA-N 0 3 320.437 1.217 20 10 DDCDHN COC(=O)c1cn(CC[NH2+][C@@H](C)c2cc(C)ccc2[O-])nn1 ZINC000284443697 131081504 /nfs/dbraw/zinc/08/15/04/131081504.db2.gz SYUZKZRYYDKWQR-NSHDSACASA-N 0 3 304.350 1.430 20 10 DDCDHN Cc1cccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c1[O-] ZINC000289482780 131389463 /nfs/dbraw/zinc/38/94/63/131389463.db2.gz QRCXREBRPNCMIT-UHFFFAOYSA-N 0 3 303.362 1.217 20 10 DDCDHN CS(=O)(=O)NCCNCc1ccc(N2CCCCC2)cc1 ZINC000021036337 406889660 /nfs/dbraw/zinc/88/96/60/406889660.db2.gz UCISTGZBCDHFPZ-UHFFFAOYSA-N 0 3 311.451 1.316 20 10 DDCDHN COc1ccc(N2CCN(C[C@H](O)CN(C)C3CC3)CC2)cc1 ZINC000273248956 408125837 /nfs/dbraw/zinc/12/58/37/408125837.db2.gz VVBZFQUJNXKRPG-QGZVFWFLSA-N 0 3 319.449 1.272 20 10 DDCDHN COc1cc(Cl)cc(CN(C)CCN2CCOCC2)c1O ZINC000184687535 408668801 /nfs/dbraw/zinc/66/88/01/408668801.db2.gz LRHCCAKSGODMDY-UHFFFAOYSA-N 0 3 314.813 1.818 20 10 DDCDHN CCOc1ccc(O)c(CN2CC[C@H](N3CCCC3=O)C2)c1 ZINC000276879057 408902382 /nfs/dbraw/zinc/90/23/82/408902382.db2.gz ZTYKVJYCOSUBLN-AWEZNQCLSA-N 0 3 304.390 1.988 20 10 DDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@]1(N2CCOCC2)CCCOC1 ZINC000361053401 418573301 /nfs/dbraw/zinc/57/33/01/418573301.db2.gz RAATUAVELAUWAA-KRWDZBQOSA-N 0 3 324.396 1.502 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000367322565 418586105 /nfs/dbraw/zinc/58/61/05/418586105.db2.gz TUHQSWYZUQQKGR-AWEZNQCLSA-N 0 3 312.435 1.811 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000367322565 418586108 /nfs/dbraw/zinc/58/61/08/418586108.db2.gz TUHQSWYZUQQKGR-AWEZNQCLSA-N 0 3 312.435 1.811 20 10 DDCDHN CCN(CC)c1ccc(CN2CCC[C@@](O)(C(N)=O)C2)cc1 ZINC000367488978 418605206 /nfs/dbraw/zinc/60/52/06/418605206.db2.gz HMRDAOBHWYVYGP-KRWDZBQOSA-N 0 3 305.422 1.345 20 10 DDCDHN Oc1cc2c(cc1CN1CCOC3(CCOCC3)CC1)OCO2 ZINC000375116702 418606489 /nfs/dbraw/zinc/60/64/89/418606489.db2.gz WTAIRCZEHNQRDU-UHFFFAOYSA-N 0 3 321.373 1.892 20 10 DDCDHN CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2ccccc2[O-])C1=O ZINC000371084847 418760994 /nfs/dbraw/zinc/76/09/94/418760994.db2.gz HRTGORCFJSXNFZ-MLGOLLRUSA-N 0 3 303.362 1.202 20 10 DDCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000368601236 418723412 /nfs/dbraw/zinc/72/34/12/418723412.db2.gz JSKXTRDGQOYCCF-DOTOQJQBSA-N 0 3 303.450 1.850 20 10 DDCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000368601236 418723414 /nfs/dbraw/zinc/72/34/14/418723414.db2.gz JSKXTRDGQOYCCF-DOTOQJQBSA-N 0 3 303.450 1.850 20 10 DDCDHN COc1cccc(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1O ZINC000375399197 337010296 /nfs/dbraw/zinc/01/02/96/337010296.db2.gz AAVOBLULACFHFU-NXEZZACHSA-N 0 3 318.295 1.496 20 10 DDCDHN CN(C)[C@]1(CNC(=O)NCc2ccccc2O)CCSC1 ZINC000267159891 522111213 /nfs/dbraw/zinc/11/12/13/522111213.db2.gz JGTCECGQOCXFJY-HNNXBMFYSA-N 0 3 309.435 1.629 20 10 DDCDHN CC[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccccc1[O-] ZINC000156661952 522598436 /nfs/dbraw/zinc/59/84/36/522598436.db2.gz JZWHNQYOPNZDFD-ZDUSSCGKSA-N 0 3 301.408 1.494 20 10 DDCDHN CCNS(=O)(=O)CCNCc1ccc(N(CC)CC)cc1 ZINC000068981501 696379061 /nfs/dbraw/zinc/37/90/61/696379061.db2.gz BXSMUGCLFVRCNK-UHFFFAOYSA-N 0 3 313.467 1.562 20 10 DDCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)N(C)C ZINC000773049509 697705976 /nfs/dbraw/zinc/70/59/76/697705976.db2.gz RZTWPKFZEDJJNN-CHWSQXEVSA-N 0 3 323.412 1.790 20 10 DDCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NC1CC1 ZINC000774482030 697884600 /nfs/dbraw/zinc/88/46/00/697884600.db2.gz DKVMUFAMERWHKI-NWDGAFQWSA-N 0 3 318.421 1.780 20 10 DDCDHN C[C@H](O)C[C@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000305207192 698641230 /nfs/dbraw/zinc/64/12/30/698641230.db2.gz DASGRZMGTFMCPW-WMLDXEAASA-N 0 3 319.449 1.604 20 10 DDCDHN CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]Cc2ccccc2[O-])C1 ZINC000705073821 699239486 /nfs/dbraw/zinc/23/94/86/699239486.db2.gz BHZATKHVKDZXKA-QGZVFWFLSA-N 0 3 322.405 1.854 20 10 DDCDHN CCN(CC)c1ccc(CN(C)CCN2C(=O)CNC2=O)cc1 ZINC000729542639 699482331 /nfs/dbraw/zinc/48/23/31/699482331.db2.gz MKAQHDTUDWSACG-UHFFFAOYSA-N 0 3 318.421 1.516 20 10 DDCDHN C[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@@H]1CCS(=O)(=O)C1 ZINC000740865236 699803363 /nfs/dbraw/zinc/80/33/63/699803363.db2.gz QTQQZSNGNNVIDO-LBPRGKRZSA-N 0 3 320.414 1.807 20 10 DDCDHN C[N@H+](Cc1c([O-])ccc2ccncc21)C[C@@H]1CCS(=O)(=O)C1 ZINC000740865236 699803366 /nfs/dbraw/zinc/80/33/66/699803366.db2.gz QTQQZSNGNNVIDO-LBPRGKRZSA-N 0 3 320.414 1.807 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+][C@H](CCO)C1CCOCC1)OCO2 ZINC000763467850 700938830 /nfs/dbraw/zinc/93/88/30/700938830.db2.gz UCNWBMZEJNZHGA-CYBMUJFWSA-N 0 3 309.362 1.388 20 10 DDCDHN CC(C)Nc1nc(NCCO)nc(NCc2ccccc2O)n1 ZINC000804398586 701186501 /nfs/dbraw/zinc/18/65/01/701186501.db2.gz LRUKDWCLSODEGC-UHFFFAOYSA-N 0 3 318.381 1.414 20 10 DDCDHN CCOc1ccc(O)c(CN2CCN(CCCCO)CC2)c1 ZINC000769393392 701243249 /nfs/dbraw/zinc/24/32/49/701243249.db2.gz BDIMPTCCVNVQLU-UHFFFAOYSA-N 0 3 308.422 1.681 20 10 DDCDHN C[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)N1CCC[C@@H](C)C1 ZINC000841007476 702308167 /nfs/dbraw/zinc/30/81/67/702308167.db2.gz OGGAHFKKCDPRNG-CHWSQXEVSA-N 0 3 318.421 1.444 20 10 DDCDHN CCOC(=O)[C@H]1NCC[C@@H]1NCc1ccc(N(C)C)cc1C ZINC000817893682 702510379 /nfs/dbraw/zinc/51/03/79/702510379.db2.gz GNWBIFLCUSVMJT-HOTGVXAUSA-N 0 3 305.422 1.444 20 10 DDCDHN Cc1cc(C(=O)NC[C@@H]2CNCCO2)c(C)n1-c1ccccn1 ZINC000842511630 702730336 /nfs/dbraw/zinc/73/03/36/702730336.db2.gz YXLYDTXPNQZGPI-AWEZNQCLSA-N 0 3 314.389 1.207 20 10 DDCDHN C[C@@H](N[C@@H]1COC[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000866418651 706694155 /nfs/dbraw/zinc/69/41/55/706694155.db2.gz PAFQGHOXDLLNHJ-XFJVYGCCSA-N 0 3 310.369 1.073 20 10 DDCDHN CN(C)c1ccc([C@H]([NH3+])C[N-]S(=O)(=O)c2ccco2)cc1 ZINC000842784468 702773202 /nfs/dbraw/zinc/77/32/02/702773202.db2.gz JZMIKGPPCZUIIE-CYBMUJFWSA-N 0 3 309.391 1.324 20 10 DDCDHN COc1c([O-])c(CN2CCC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000843123940 702824686 /nfs/dbraw/zinc/82/46/86/702824686.db2.gz SLGVZRYBPYDJOW-INIZCTEOSA-N 0 3 321.377 1.885 20 10 DDCDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1ccc(N(C)C)cc1 ZINC000843429074 702879636 /nfs/dbraw/zinc/87/96/36/702879636.db2.gz RFRLZVLWGWWSLL-AWEZNQCLSA-N 0 3 304.438 1.304 20 10 DDCDHN c1nc2n(c1CNCc1ccc(N3CCOCC3)cc1)CCC2 ZINC000850069421 703701216 /nfs/dbraw/zinc/70/12/16/703701216.db2.gz NJLMHSTYGDIZKT-UHFFFAOYSA-N 0 3 312.417 1.956 20 10 DDCDHN COc1cc(Br)cc(C[NH2+]C/C=C/CO)c1[O-] ZINC000850357608 703726696 /nfs/dbraw/zinc/72/66/96/703726696.db2.gz PIJGYLOKBCCBMV-NSCUHMNNSA-N 0 3 302.168 1.801 20 10 DDCDHN C[C@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccc(N(C)C)cc1 ZINC000851659909 703824667 /nfs/dbraw/zinc/82/46/67/703824667.db2.gz XLKCVYYFHJYAKN-NILFDRSVSA-N 0 3 308.401 1.894 20 10 DDCDHN O=C1CCC2=C(CCN(Cc3cc4c(cc3O)OCO4)C2)N1 ZINC000853521198 704258075 /nfs/dbraw/zinc/25/80/75/704258075.db2.gz RXCZGYMWNUDQDJ-UHFFFAOYSA-N 0 3 302.330 1.491 20 10 DDCDHN COC[C@@]1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCCCN1 ZINC000876873130 705900388 /nfs/dbraw/zinc/90/03/88/705900388.db2.gz WJNVDRSQJFYEAH-GOSISDBHSA-N 0 3 319.449 1.870 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000877075396 705977519 /nfs/dbraw/zinc/97/75/19/705977519.db2.gz BDIUQMCMLJRKPV-DYVFJYSZSA-N 0 3 317.389 1.511 20 10 DDCDHN CCN1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC000877567319 706144715 /nfs/dbraw/zinc/14/47/15/706144715.db2.gz JFISPCPBVDZWQZ-OAHLLOKOSA-N 0 3 317.433 1.358 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000877691292 706180088 /nfs/dbraw/zinc/18/00/88/706180088.db2.gz KCWGHOAGZKMCNN-UHFFFAOYSA-N 0 3 309.406 1.748 20 10 DDCDHN OC[C@@H]1CSCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000877780547 706208514 /nfs/dbraw/zinc/20/85/14/706208514.db2.gz UMKOZSNNWOXBIU-MRXNPFEDSA-N 0 3 308.447 1.433 20 10 DDCDHN CN(C)c1ccc(CNCC[C@@H]2CCCS2(=O)=O)cc1F ZINC000883299162 707969702 /nfs/dbraw/zinc/96/97/02/707969702.db2.gz NEPQUTAVCAEWCR-ZDUSSCGKSA-N 0 3 314.426 1.949 20 10 DDCDHN CCc1cccc(C[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1O ZINC000898151342 708557875 /nfs/dbraw/zinc/55/78/75/708557875.db2.gz LLFIJRWWXWDZNE-AWEZNQCLSA-N 0 3 314.389 1.819 20 10 DDCDHN C[C@@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185714 709319552 /nfs/dbraw/zinc/31/95/52/709319552.db2.gz RBABPDADSCLKFA-FZMZJTMJSA-N 0 3 304.394 1.296 20 10 DDCDHN C[C@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185716 709319598 /nfs/dbraw/zinc/31/95/98/709319598.db2.gz RBABPDADSCLKFA-RISCZKNCSA-N 0 3 304.394 1.296 20 10 DDCDHN CC[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC ZINC000901707453 710127711 /nfs/dbraw/zinc/12/77/11/710127711.db2.gz XCFYGNHJMLMBNE-JKSUJKDBSA-N 0 3 307.438 1.897 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cncn2C)N(C)C)cc1 ZINC000891248991 710141370 /nfs/dbraw/zinc/14/13/70/710141370.db2.gz ORONIUPJWQYDSW-HNNXBMFYSA-N 0 3 315.421 1.519 20 10 DDCDHN COC(=O)C1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891459765 710207316 /nfs/dbraw/zinc/20/73/16/710207316.db2.gz FBHDTCVVGYWBHW-UHFFFAOYSA-N 0 3 309.362 1.794 20 10 DDCDHN CC[C@H](CO)N1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892131055 710377376 /nfs/dbraw/zinc/37/73/76/710377376.db2.gz DHOSGJJWEQUULR-CQSZACIVSA-N 0 3 324.421 1.298 20 10 DDCDHN Nc1ccc(CCNC(=O)c2ccc3c(c2)OCCNC3)cc1 ZINC000911783544 710985322 /nfs/dbraw/zinc/98/53/22/710985322.db2.gz WOGWFFONHIKZPO-UHFFFAOYSA-N 0 3 311.385 1.723 20 10 DDCDHN COc1cc(C)cc(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1O ZINC000894608295 711211089 /nfs/dbraw/zinc/21/10/89/711211089.db2.gz HDZXOECTKBXVQT-KBPBESRZSA-N 0 3 308.422 1.596 20 10 DDCDHN COc1cc(C)cc(CN2C[C@@H](C)N(CCO)C[C@@H]2C)c1O ZINC000895024792 711374289 /nfs/dbraw/zinc/37/42/89/711374289.db2.gz NGPHUYQKMGJLRR-KGLIPLIRSA-N 0 3 308.422 1.596 20 10 DDCDHN CC1(C)CNC(=O)[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000895318552 711482616 /nfs/dbraw/zinc/48/26/16/711482616.db2.gz WCHJCLRZZOPRBM-OAHLLOKOSA-N 0 3 303.406 1.137 20 10 DDCDHN COc1ccc(CN2CCCC[C@@H]2CNC(C)=O)c(O)c1OC ZINC000895727182 711589064 /nfs/dbraw/zinc/58/90/64/711589064.db2.gz ITSWOCZARXJGIR-CQSZACIVSA-N 0 3 322.405 1.900 20 10 DDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929753687 713683147 /nfs/dbraw/zinc/68/31/47/713683147.db2.gz UTVDXPUSNCBJDC-DOTOQJQBSA-N 0 3 309.406 1.507 20 10 DDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929753687 713683148 /nfs/dbraw/zinc/68/31/48/713683148.db2.gz UTVDXPUSNCBJDC-DOTOQJQBSA-N 0 3 309.406 1.507 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2CCC(O)(C[NH+](C)C)CC2)c1[O-] ZINC000931485257 714108824 /nfs/dbraw/zinc/10/88/24/714108824.db2.gz BPZVGEVDLBBPFZ-UHFFFAOYSA-N 0 3 324.396 1.622 20 10 DDCDHN CN(C)C[C@H]1NC(=O)N(Cc2ccc3c(c2)CCCN3C)C1=O ZINC000924542220 714606678 /nfs/dbraw/zinc/60/66/78/714606678.db2.gz HPZYRHFJVSAUHH-CQSZACIVSA-N 0 3 316.405 1.051 20 10 DDCDHN C[C@@H]1[C@@H](CO)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001193898143 746230976 /nfs/dbraw/zinc/23/09/76/746230976.db2.gz JKVGABNEWBMDHE-UKRRQHHQSA-N 0 3 305.422 1.072 20 10 DDCDHN CC[C@H](C)N1C[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272619192 846417189 /nfs/dbraw/zinc/41/71/89/846417189.db2.gz SFNNZUDUXDBRBJ-KBXCAEBGSA-N 0 3 318.417 1.994 20 10 DDCDHN CC[C@H](C)N1C[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272619192 846417195 /nfs/dbraw/zinc/41/71/95/846417195.db2.gz SFNNZUDUXDBRBJ-KBXCAEBGSA-N 0 3 318.417 1.994 20 10 DDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001275952485 854006346 /nfs/dbraw/zinc/00/63/46/854006346.db2.gz FNOSUPUJOCVYEZ-HOTGVXAUSA-N 0 3 314.389 1.670 20 10 DDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001275952485 854006353 /nfs/dbraw/zinc/00/63/53/854006353.db2.gz FNOSUPUJOCVYEZ-HOTGVXAUSA-N 0 3 314.389 1.670 20 10 DDCDHN COc1cc(O)c(CN2CCC[C@H](n3ccnn3)C2)c(OC)c1 ZINC001141030806 860767454 /nfs/dbraw/zinc/76/74/54/860767454.db2.gz LYHYCFDLCXFNBF-LBPRGKRZSA-N 0 3 318.377 1.838 20 10 DDCDHN CCOC(=O)[C@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141144286 860794810 /nfs/dbraw/zinc/79/48/10/860794810.db2.gz YNVRMOSOAWHFPM-AWEZNQCLSA-N 0 3 304.390 1.900 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(F)CCOC2)N(C)C)cc1 ZINC001333624582 866881527 /nfs/dbraw/zinc/88/15/27/866881527.db2.gz GPRXUDPTZLQSFS-NVXWUHKLSA-N 0 3 323.412 1.600 20 10 DDCDHN CN1CCN(c2ccc(CN3CC[C@@](C)(O)C3)cc2F)CC1 ZINC001321863844 867839386 /nfs/dbraw/zinc/83/93/86/867839386.db2.gz YHLLBDDPMQMWJN-QGZVFWFLSA-N 0 3 307.413 1.534 20 10 DDCDHN CC(=O)OC[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001334936764 867924643 /nfs/dbraw/zinc/92/46/43/867924643.db2.gz QYKJSPLJSJSXSU-LBPRGKRZSA-N 0 3 324.396 1.828 20 10 DDCDHN Nc1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC001335737506 868506947 /nfs/dbraw/zinc/50/69/47/868506947.db2.gz QLFMKAOZCWDNNM-JKSUJKDBSA-N 0 3 318.421 1.009 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3[O-])CC[C@H]21 ZINC001203551749 870636671 /nfs/dbraw/zinc/63/66/71/870636671.db2.gz MLYVJPNRHPUULU-NVXWUHKLSA-N 0 3 304.390 1.604 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3[O-])CC[C@H]21 ZINC001203551749 870636677 /nfs/dbraw/zinc/63/66/77/870636677.db2.gz MLYVJPNRHPUULU-NVXWUHKLSA-N 0 3 304.390 1.604 20 10 DDCDHN O=C(N[C@@H]1CN(Cc2ccccc2O)[C@@H]2COC[C@H]12)C1CCC1 ZINC001203552340 870636813 /nfs/dbraw/zinc/63/68/13/870636813.db2.gz KNMNESSJVDFJRY-BZUAXINKSA-N 0 3 316.401 1.508 20 10 DDCDHN Cc1ccc(CN(CCC(F)(F)F)C[C@H](O)CO)c(O)c1 ZINC001308571212 871515255 /nfs/dbraw/zinc/51/52/55/871515255.db2.gz RJESZRNESJVKOZ-LBPRGKRZSA-N 0 3 307.312 1.808 20 10 DDCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c([O-])c1 ZINC001308855582 871533838 /nfs/dbraw/zinc/53/38/38/871533838.db2.gz QOTKVJILPBDUHI-IUODEOHRSA-N 0 3 304.390 1.810 20 10 DDCDHN COc1cc(C)c(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c([O-])c1 ZINC001308855582 871533852 /nfs/dbraw/zinc/53/38/52/871533852.db2.gz QOTKVJILPBDUHI-IUODEOHRSA-N 0 3 304.390 1.810 20 10 DDCDHN CC[C@H](C)C[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001341554937 871712049 /nfs/dbraw/zinc/71/20/49/871712049.db2.gz GRQZWTBBMRIUCT-YOEHRIQHSA-N 0 3 319.449 1.903 20 10 DDCDHN CN(C)c1ccc(CN2CC3(C2)CCOC[C@@H]3C(N)=O)cc1 ZINC001276958196 881284107 /nfs/dbraw/zinc/28/41/07/881284107.db2.gz HDLWCUOGEXQAMT-OAHLLOKOSA-N 0 3 303.406 1.076 20 10 DDCDHN Cn1ccnc1NC(=O)[C@H]1CC12CN(Cc1ccccc1O)C2 ZINC001277441210 884291707 /nfs/dbraw/zinc/29/17/07/884291707.db2.gz JOLFGNQUBPAHAS-CYBMUJFWSA-N 0 3 312.373 1.586 20 10 DDCDHN CCOc1cccc(CN2CC3(C2)SCC[C@H]3C(N)=O)c1O ZINC001277453842 884436546 /nfs/dbraw/zinc/43/65/46/884436546.db2.gz HVGCGJRDUBHGTM-LBPRGKRZSA-N 0 3 322.430 1.584 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CCC2(CNC(=O)C2)CC1 ZINC001231849550 885905934 /nfs/dbraw/zinc/90/59/34/885905934.db2.gz VUZHMCSXMDJYCV-UHFFFAOYSA-N 0 3 317.433 1.863 20 10 DDCDHN CN(C)c1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001232836913 886623546 /nfs/dbraw/zinc/62/35/46/886623546.db2.gz WIJWOUOIAUEPFZ-ZDUSSCGKSA-N 0 3 304.312 1.957 20 10 DDCDHN COC(=O)[C@@H]1CNCCN1Cc1ccc(N(C)C)cc1Cl ZINC001236055721 889084345 /nfs/dbraw/zinc/08/43/45/889084345.db2.gz ZHHPUNAKJRJBLL-AWEZNQCLSA-N 0 3 311.813 1.353 20 10 DDCDHN CCOc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c([O-])c1 ZINC001237040575 889476163 /nfs/dbraw/zinc/47/61/63/889476163.db2.gz HKZPXLXPZIMOSW-QLPKVWCKSA-N 0 3 318.417 1.993 20 10 DDCDHN CCOc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c([O-])c1 ZINC001237040575 889476170 /nfs/dbraw/zinc/47/61/70/889476170.db2.gz HKZPXLXPZIMOSW-QLPKVWCKSA-N 0 3 318.417 1.993 20 10 DDCDHN C[C@H]1CCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237206962 889546439 /nfs/dbraw/zinc/54/64/39/889546439.db2.gz NRDAQGUAEKXRKW-AWEZNQCLSA-N 0 3 308.447 1.763 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c([O-])c1 ZINC001249208480 893865405 /nfs/dbraw/zinc/86/54/05/893865405.db2.gz URBGOIBJWIMPOF-DJSGYFEHSA-N 0 3 305.374 1.574 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c([O-])c1 ZINC001249208480 893865425 /nfs/dbraw/zinc/86/54/25/893865425.db2.gz URBGOIBJWIMPOF-DJSGYFEHSA-N 0 3 305.374 1.574 20 10 DDCDHN COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2C[C@H]2C)cc1C ZINC001283791986 907966537 /nfs/dbraw/zinc/96/65/37/907966537.db2.gz IZYIGQQOXGQYLB-KCPJHIHWSA-N 0 3 306.406 1.226 20 10 DDCDHN COc1cccc(CN2CCC[C@H](N3CCNC3=O)C2)c1O ZINC000092188952 353846852 /nfs/dbraw/zinc/84/68/52/353846852.db2.gz JVURNOQNJARLTE-ZDUSSCGKSA-N 0 3 305.378 1.390 20 10 DDCDHN CC(C)OCCOC[C@H](O)CN(C)Cc1ccc(N(C)C)cc1 ZINC000274083768 130204574 /nfs/dbraw/zinc/20/45/74/130204574.db2.gz RPXPFRVCTPYRMB-GOSISDBHSA-N 0 3 324.465 1.987 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c1 ZINC000366486417 286339276 /nfs/dbraw/zinc/33/92/76/286339276.db2.gz XNLKQSBLZPCHKX-GAFUQQFSSA-N 0 3 304.346 1.056 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c1 ZINC000366486417 286339279 /nfs/dbraw/zinc/33/92/79/286339279.db2.gz XNLKQSBLZPCHKX-GAFUQQFSSA-N 0 3 304.346 1.056 20 10 DDCDHN COc1cccc(CN2CCC(N3CCCNC3=O)CC2)c1O ZINC000093669375 407201092 /nfs/dbraw/zinc/20/10/92/407201092.db2.gz VVJQNCKURNZEGC-UHFFFAOYSA-N 0 3 319.405 1.781 20 10 DDCDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])CC2 ZINC000186103561 407576749 /nfs/dbraw/zinc/57/67/49/407576749.db2.gz YVDMFZBBAABFCS-JQWIXIFHSA-N 0 3 320.368 1.935 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN(C)C[C@@H]2CCOC2)cc1 ZINC000178766153 407592410 /nfs/dbraw/zinc/59/24/10/407592410.db2.gz RLTMLEUYVWLXAT-HNNXBMFYSA-N 0 3 305.422 1.337 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@]3(CCOC3)C2)cc1 ZINC000153591989 407857046 /nfs/dbraw/zinc/85/70/46/407857046.db2.gz MAPCXEVVBYEVBP-SFHVURJKSA-N 0 3 317.433 1.481 20 10 DDCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H](C(N)=O)O1 ZINC000120294024 408125715 /nfs/dbraw/zinc/12/57/15/408125715.db2.gz MCTZBPYKKMHGOP-BZNIZROVSA-N 0 3 300.358 1.620 20 10 DDCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H](C(N)=O)O1 ZINC000120294024 408125718 /nfs/dbraw/zinc/12/57/18/408125718.db2.gz MCTZBPYKKMHGOP-BZNIZROVSA-N 0 3 300.358 1.620 20 10 DDCDHN COc1cccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000269906268 408463987 /nfs/dbraw/zinc/46/39/87/408463987.db2.gz HCVFPASSASXADG-CVEARBPZSA-N 0 3 317.385 1.975 20 10 DDCDHN CSCC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000165183398 408809826 /nfs/dbraw/zinc/80/98/26/408809826.db2.gz JJASIEIWTRZTAJ-HNNXBMFYSA-N 0 3 323.462 1.220 20 10 DDCDHN CON(C)C(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000291211046 408862557 /nfs/dbraw/zinc/86/25/57/408862557.db2.gz IMHKBCDBBGSRHV-UHFFFAOYSA-N 0 3 305.422 1.984 20 10 DDCDHN COC[C@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000280969329 408866793 /nfs/dbraw/zinc/86/67/93/408866793.db2.gz LECGSBCVGOPIMB-JSGCOSHPSA-N 0 3 312.385 1.320 20 10 DDCDHN CN1CCN(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1(C)C ZINC000282378063 409042874 /nfs/dbraw/zinc/04/28/74/409042874.db2.gz OHNMQUCFVYBBDI-UHFFFAOYSA-N 0 3 322.409 1.416 20 10 DDCDHN COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000278745573 409088408 /nfs/dbraw/zinc/08/84/08/409088408.db2.gz RQOSBRUCPWUEGM-GDBMZVCRSA-N 0 3 309.406 1.546 20 10 DDCDHN COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000278745573 409088409 /nfs/dbraw/zinc/08/84/09/409088409.db2.gz RQOSBRUCPWUEGM-GDBMZVCRSA-N 0 3 309.406 1.546 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN(C)CCCCCO)cc1 ZINC000279673239 409246406 /nfs/dbraw/zinc/24/64/06/409246406.db2.gz FOAIYIGMMAGUFO-UHFFFAOYSA-N 0 3 321.465 1.805 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)OCCO)c1[O-] ZINC000290198893 409318727 /nfs/dbraw/zinc/31/87/27/409318727.db2.gz PLBMQSWVVIAXDZ-UHFFFAOYSA-N 0 3 303.786 1.931 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCCNC2=O)c1[O-] ZINC000295119454 409330369 /nfs/dbraw/zinc/33/03/69/409330369.db2.gz WISVRUTZFZMPNX-NSHDSACASA-N 0 3 313.195 1.831 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c1[O-] ZINC000366568508 418490816 /nfs/dbraw/zinc/49/08/16/418490816.db2.gz WUJRLRMPARCZEV-MNOVXSKESA-N 0 3 324.764 1.149 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c1[O-] ZINC000366568508 418490818 /nfs/dbraw/zinc/49/08/18/418490818.db2.gz WUJRLRMPARCZEV-MNOVXSKESA-N 0 3 324.764 1.149 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1[O-] ZINC000228094969 222206065 /nfs/dbraw/zinc/20/60/65/222206065.db2.gz IVQZQINQOAGLHW-LKFCYVNXSA-N 0 3 301.770 1.684 20 10 DDCDHN CCOc1cccc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1[O-] ZINC000377728002 418714336 /nfs/dbraw/zinc/71/43/36/418714336.db2.gz VRTGQDLBOMWEKJ-CQSZACIVSA-N 0 3 316.405 1.893 20 10 DDCDHN CCOc1cccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1O ZINC000363263803 418763745 /nfs/dbraw/zinc/76/37/45/418763745.db2.gz BTXBIJJITZNADP-IACUBPJLSA-N 0 3 304.390 1.890 20 10 DDCDHN CCOc1cccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1O ZINC000363263802 418763947 /nfs/dbraw/zinc/76/39/47/418763947.db2.gz BTXBIJJITZNADP-BNOWGMLFSA-N 0 3 304.390 1.890 20 10 DDCDHN c1ncn([C@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000364512550 418783500 /nfs/dbraw/zinc/78/35/00/418783500.db2.gz RVXBFUKVIOOSKQ-KRWDZBQOSA-N 0 3 313.405 1.562 20 10 DDCDHN Cn1ccnc1[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000372886500 418911913 /nfs/dbraw/zinc/91/19/13/418911913.db2.gz YBTLSHZSGXQKPH-LLVKDONJSA-N 0 3 301.346 1.844 20 10 DDCDHN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000372886500 418911915 /nfs/dbraw/zinc/91/19/15/418911915.db2.gz YBTLSHZSGXQKPH-LLVKDONJSA-N 0 3 301.346 1.844 20 10 DDCDHN CS(=O)(=O)N1CCC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000297581069 278110537 /nfs/dbraw/zinc/11/05/37/278110537.db2.gz HCXWPCJTTHQBRT-STQMWFEESA-N 0 3 310.419 1.393 20 10 DDCDHN Cc1ccc(O)c(CN[C@H]2CCN(c3ccn(C)n3)C2=O)c1 ZINC000360092552 337085150 /nfs/dbraw/zinc/08/51/50/337085150.db2.gz JUUDZWUPMFLDIT-ZDUSSCGKSA-N 0 3 300.362 1.329 20 10 DDCDHN Cc1ccc(O)c(CN[C@@H]2CCN(c3ccn(C)n3)C2=O)c1 ZINC000360092550 337085222 /nfs/dbraw/zinc/08/52/22/337085222.db2.gz JUUDZWUPMFLDIT-CYBMUJFWSA-N 0 3 300.362 1.329 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+]C2(CC(=O)OC)CCOCC2)c1 ZINC000268016775 521151264 /nfs/dbraw/zinc/15/12/64/521151264.db2.gz GRWXSDZYBOMOJK-UHFFFAOYSA-N 0 3 323.389 1.993 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)cc1 ZINC000106901000 696628279 /nfs/dbraw/zinc/62/82/79/696628279.db2.gz LRRJAZXXSKMQMY-QGZVFWFLSA-N 0 3 319.449 1.930 20 10 DDCDHN O=C(CNC[C@H]1CCCO1)NCCCSc1nccs1 ZINC000237929326 697814074 /nfs/dbraw/zinc/81/40/74/697814074.db2.gz HRDIDYNZXORJCZ-LLVKDONJSA-N 0 3 315.464 1.510 20 10 DDCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CN1CCOCC1 ZINC000801597026 700325717 /nfs/dbraw/zinc/32/57/17/700325717.db2.gz XZOFYDJTTBSVNK-QGZVFWFLSA-N 0 3 322.449 1.687 20 10 DDCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CN1CCOCC1 ZINC000801597026 700325721 /nfs/dbraw/zinc/32/57/21/700325721.db2.gz XZOFYDJTTBSVNK-QGZVFWFLSA-N 0 3 322.449 1.687 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000764280204 700966070 /nfs/dbraw/zinc/96/60/70/700966070.db2.gz SAJPBJAEADZMTC-KRWDZBQOSA-N 0 3 316.449 1.067 20 10 DDCDHN CNC(=O)COc1cccc(C[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000809720246 701682899 /nfs/dbraw/zinc/68/28/99/701682899.db2.gz BUVRLQJIKDABDC-UHFFFAOYSA-N 0 3 318.348 1.946 20 10 DDCDHN CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768440100 701176875 /nfs/dbraw/zinc/17/68/75/701176875.db2.gz NZBAWVSOEHULIZ-BLLLJJGKSA-N 0 3 320.389 1.166 20 10 DDCDHN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768440100 701176876 /nfs/dbraw/zinc/17/68/76/701176876.db2.gz NZBAWVSOEHULIZ-BLLLJJGKSA-N 0 3 320.389 1.166 20 10 DDCDHN CCOc1ccc(CN2CCN(CC(C)(C)O)CC2)c(O)c1 ZINC000769301116 701240031 /nfs/dbraw/zinc/24/00/31/701240031.db2.gz KAKVXMJMEZTIAA-UHFFFAOYSA-N 0 3 308.422 1.679 20 10 DDCDHN COc1cc(C)cc(CN2C[C@@H](C)N(CCO)[C@@H](C)C2)c1O ZINC000840136196 701990549 /nfs/dbraw/zinc/99/05/49/701990549.db2.gz YWMBNVLWUNBBQR-OKILXGFUSA-N 0 3 308.422 1.596 20 10 DDCDHN COc1ccc2c(c1)CCN2C[C@@H]1CCCN(C(=O)CN)C1 ZINC000841003133 702306435 /nfs/dbraw/zinc/30/64/35/702306435.db2.gz OFOIUENWRZLWJA-ZDUSSCGKSA-N 0 3 303.406 1.255 20 10 DDCDHN CC(C)(C)N1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841025106 702314785 /nfs/dbraw/zinc/31/47/85/702314785.db2.gz PYMOQIVTEVOQRZ-UHFFFAOYSA-N 0 3 318.421 1.540 20 10 DDCDHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841128351 702359067 /nfs/dbraw/zinc/35/90/67/702359067.db2.gz SNOKUNNCTLZUBA-UHFFFAOYSA-N 0 3 318.421 1.542 20 10 DDCDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841759452 702557814 /nfs/dbraw/zinc/55/78/14/702557814.db2.gz GANKAHPCYQZWRF-NWDGAFQWSA-N 0 3 308.401 1.784 20 10 DDCDHN CCOCc1cc(CN[C@H]2CCC(=O)N(C)C2=O)ccc1OC ZINC000818233346 702612539 /nfs/dbraw/zinc/61/25/39/702612539.db2.gz JVTMOCRORDZQHF-AWEZNQCLSA-N 0 3 320.389 1.469 20 10 DDCDHN CN(C)c1ccc(/C=C/CN[C@H]2CCC(=O)N(C)C2=O)cc1 ZINC000818233848 702612652 /nfs/dbraw/zinc/61/26/52/702612652.db2.gz PJURUABRWALUEP-RGDDUWESSA-N 0 3 301.390 1.503 20 10 DDCDHN C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CCN(C2CC2)C1 ZINC000841956217 702634998 /nfs/dbraw/zinc/63/49/98/702634998.db2.gz YURQOOGOBSGZDQ-CQSZACIVSA-N 0 3 316.449 1.937 20 10 DDCDHN [O-]c1ccc(Cl)c(F)c1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843123607 702824159 /nfs/dbraw/zinc/82/41/59/702824159.db2.gz SOIWJGUZDGBERZ-NSHDSACASA-N 0 3 313.804 1.664 20 10 DDCDHN COCCN1CCN(Cc2cc3c(cc2O)OCO3)C(C)(C)C1 ZINC000846101998 703237977 /nfs/dbraw/zinc/23/79/77/703237977.db2.gz JOOCAZSDSGHPKP-UHFFFAOYSA-N 0 3 322.405 1.664 20 10 DDCDHN O=C1[C@@H](NCc2cc3c(cc2O)OCO3)CCN1C1CCC1 ZINC000858342301 704697623 /nfs/dbraw/zinc/69/76/23/704697623.db2.gz KFDJHAGMTCNEBC-LBPRGKRZSA-N 0 3 304.346 1.364 20 10 DDCDHN CCN(C)c1ccc(CN2CC[C@@](OC)(C(=O)OC)C2)cc1 ZINC000859555953 704936499 /nfs/dbraw/zinc/93/64/99/704936499.db2.gz ABJSAKLTCUUJDV-KRWDZBQOSA-N 0 3 306.406 1.907 20 10 DDCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(=O)NCCCO)CC1 ZINC000876578062 705767323 /nfs/dbraw/zinc/76/73/23/705767323.db2.gz ZRTMAMVTNCTAOC-UHFFFAOYSA-N 0 3 306.406 1.411 20 10 DDCDHN CN(C)CCN(CC(=O)N(C)C)Cc1ccc(N(C)C)c(F)c1 ZINC000827158607 705942210 /nfs/dbraw/zinc/94/22/10/705942210.db2.gz QZXYYKNRGHJEMM-UHFFFAOYSA-N 0 3 324.444 1.344 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000877651999 706170581 /nfs/dbraw/zinc/17/05/81/706170581.db2.gz PYHQVTRYPFVRMH-SFHVURJKSA-N 0 3 320.433 1.406 20 10 DDCDHN CN(CCn1cnnn1)Cc1ccc(N2CCCCC2)cc1 ZINC000877921284 706241533 /nfs/dbraw/zinc/24/15/33/706241533.db2.gz FXTXALHCQJOBBG-UHFFFAOYSA-N 0 3 300.410 1.795 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@H](CCCO)C2)cc1 ZINC000832783015 706982760 /nfs/dbraw/zinc/98/27/60/706982760.db2.gz MRZQKYLQVGFHPV-MRXNPFEDSA-N 0 3 319.449 1.463 20 10 DDCDHN CN(Cc1cc2c(cc1O)OC[C@H]2O)[C@H]1CCCCN(C)C1=O ZINC000872676342 707554235 /nfs/dbraw/zinc/55/42/35/707554235.db2.gz QZIJSULPRBMOJB-DZGCQCFKSA-N 0 3 320.389 1.261 20 10 DDCDHN COCC[C@@H](N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000884213902 708193351 /nfs/dbraw/zinc/19/33/51/708193351.db2.gz OKKCQEPANQEBKB-QGZVFWFLSA-N 0 3 319.449 1.903 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@@H](N)CC3CC3)CC2)cc1F ZINC000884233312 708203304 /nfs/dbraw/zinc/20/33/04/708203304.db2.gz NYRZVZRNSUVOAG-HNNXBMFYSA-N 0 3 321.396 1.610 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)C2CSC2)N(C)C)cc1 ZINC000891245443 710140137 /nfs/dbraw/zinc/14/01/37/710140137.db2.gz FDIRRFSGQONPKB-HNNXBMFYSA-N 0 3 307.463 1.835 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)C2(O)CCCC2)N(C)C)cc1 ZINC000891250612 710141725 /nfs/dbraw/zinc/14/17/25/710141725.db2.gz AYVCBQAAIPHFOF-INIZCTEOSA-N 0 3 319.449 1.777 20 10 DDCDHN CCOCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254156 710143236 /nfs/dbraw/zinc/14/32/36/710143236.db2.gz WNAWUDIUPSLWKL-MRXNPFEDSA-N 0 3 307.438 1.898 20 10 DDCDHN CCc1nc([C@H](C)NCc2ccc(OC)c(OC)c2O)n[nH]1 ZINC000893267456 710583113 /nfs/dbraw/zinc/58/31/13/710583113.db2.gz LIGCCMIMPCCFNB-VIFPVBQESA-N 0 3 306.366 1.941 20 10 DDCDHN COC(=O)N1CC(C)(NCc2cc(Cl)cc(OC)c2O)C1 ZINC000894542638 711173300 /nfs/dbraw/zinc/17/33/00/711173300.db2.gz NVUGGSQFSXJDLY-UHFFFAOYSA-N 0 3 314.769 1.985 20 10 DDCDHN OCc1cnccc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000894613876 711215214 /nfs/dbraw/zinc/21/52/14/711215214.db2.gz TWTOVXMKLSQBQH-UHFFFAOYSA-N 0 3 313.401 1.569 20 10 DDCDHN COC(=O)[C@H]1C[C@@H](O)CN(Cc2cc(C)cc(OC)c2O)C1 ZINC000895087304 711403332 /nfs/dbraw/zinc/40/33/32/711403332.db2.gz CCHTVCJQDCLNMG-QWHCGFSZSA-N 0 3 309.362 1.065 20 10 DDCDHN C[C@H](NC(=O)c1ccnn1CCN(C)C)c1ccccc1O ZINC000913763520 713297660 /nfs/dbraw/zinc/29/76/60/713297660.db2.gz JDSMWWIYHGYECP-LBPRGKRZSA-N 0 3 302.378 1.641 20 10 DDCDHN C[NH+](C)CCn1cc(C(=O)NCc2c([O-])cccc2F)cn1 ZINC000928706216 713468780 /nfs/dbraw/zinc/46/87/80/713468780.db2.gz OWMUQXBITPAYAJ-UHFFFAOYSA-N 0 3 306.341 1.219 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000919081994 713580907 /nfs/dbraw/zinc/58/09/07/713580907.db2.gz QDRDQFBSFRGWPD-CZUORRHYSA-N 0 3 304.438 1.953 20 10 DDCDHN CS(=O)(=O)N1CCC[C@@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000921611971 713821504 /nfs/dbraw/zinc/82/15/04/713821504.db2.gz IEAVUFSFHLFHLM-OAHLLOKOSA-N 0 3 324.446 1.525 20 10 DDCDHN COC(OC)[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000922314501 714018553 /nfs/dbraw/zinc/01/85/53/714018553.db2.gz ZELGTFKVLWZAJS-ZDUSSCGKSA-N 0 3 308.422 1.745 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1F ZINC000922724213 714128432 /nfs/dbraw/zinc/12/84/32/714128432.db2.gz CAMGGRHMPLCKAE-WQGACYEGSA-N 0 3 312.360 1.924 20 10 DDCDHN C[C@]1(CO)CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1O ZINC001138495316 860119671 /nfs/dbraw/zinc/11/96/71/860119671.db2.gz HFQSOFXIUCTQQU-QZTJIDSGSA-N 0 3 320.433 1.088 20 10 DDCDHN C[C@]1(O)COCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140282713 860610699 /nfs/dbraw/zinc/61/06/99/860610699.db2.gz IDXKXXPDBWGHSY-GOSISDBHSA-N 0 3 320.433 1.231 20 10 DDCDHN COC(=O)[C@H]1CCCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140466 860793096 /nfs/dbraw/zinc/79/30/96/860793096.db2.gz MKPQISLPSQMCMP-AWEZNQCLSA-N 0 3 304.390 1.900 20 10 DDCDHN COCC1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001333847727 867073744 /nfs/dbraw/zinc/07/37/44/867073744.db2.gz AATMAMFGNLALJU-UHFFFAOYSA-N 0 3 307.413 1.656 20 10 DDCDHN COc1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c([O-])c1 ZINC001203634341 870687337 /nfs/dbraw/zinc/68/73/37/870687337.db2.gz ADJCAKBTCNKDSR-UHFFFAOYSA-N 0 3 304.390 1.845 20 10 DDCDHN Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2ccc(O)cc2[O-])C3)n1 ZINC001204274342 871032987 /nfs/dbraw/zinc/03/29/87/871032987.db2.gz OFOKNTKNRFHQEN-MLGOLLRUSA-N 0 3 317.345 1.189 20 10 DDCDHN Cc1noc([C@]23COC[C@H]2C[N@@H+](Cc2ccc(O)cc2[O-])C3)n1 ZINC001204274342 871033005 /nfs/dbraw/zinc/03/30/05/871033005.db2.gz OFOKNTKNRFHQEN-MLGOLLRUSA-N 0 3 317.345 1.189 20 10 DDCDHN COCCCCN1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231639913 885778947 /nfs/dbraw/zinc/77/89/47/885778947.db2.gz MZVHSXOVHAIVEG-UHFFFAOYSA-N 0 3 324.421 1.651 20 10 DDCDHN COc1cc([O-])c(CN2C[C@H]3C[NH2+]C[C@H]32)c(Br)c1 ZINC001236296511 889169310 /nfs/dbraw/zinc/16/93/10/889169310.db2.gz QZTDUNWAVFANKI-PRHODGIISA-N 0 3 313.195 1.567 20 10 DDCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001237053776 889484217 /nfs/dbraw/zinc/48/42/17/889484217.db2.gz QHDGFKORWRVTSP-ZWNOBZJWSA-N 0 3 321.295 1.118 20 10 DDCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001237053776 889484222 /nfs/dbraw/zinc/48/42/22/889484222.db2.gz QHDGFKORWRVTSP-ZWNOBZJWSA-N 0 3 321.295 1.118 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@H+](Cc3c(C)cccc3[O-])CC[C@H]21 ZINC001237487249 889666577 /nfs/dbraw/zinc/66/65/77/889666577.db2.gz XIUAWDKDDWVUPC-AEFFLSMTSA-N 0 3 318.417 1.912 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3c(C)cccc3[O-])CC[C@H]21 ZINC001237487249 889666582 /nfs/dbraw/zinc/66/65/82/889666582.db2.gz XIUAWDKDDWVUPC-AEFFLSMTSA-N 0 3 318.417 1.912 20 10 DDCDHN COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H](C)C(C)C)cc1C ZINC001278165397 889948821 /nfs/dbraw/zinc/94/88/21/889948821.db2.gz WNWXJTIVQSNWDC-GOEBONIOSA-N 0 3 322.449 1.862 20 10 DDCDHN COCCN(C)C(=O)C12CC([NH2+]Cc3cc(F)ccc3[O-])(C1)C2 ZINC001278255249 890286487 /nfs/dbraw/zinc/28/64/87/890286487.db2.gz QLFHNGOZFDJZNH-UHFFFAOYSA-N 0 3 322.380 1.648 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@]3(CCO3)C2)c([O-])c1 ZINC001249207318 893865140 /nfs/dbraw/zinc/86/51/40/893865140.db2.gz BLBKDWWVQFQTMG-KRWDZBQOSA-N 0 3 305.374 1.863 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@]3(CCO3)C2)c([O-])c1 ZINC001249207318 893865152 /nfs/dbraw/zinc/86/51/52/893865152.db2.gz BLBKDWWVQFQTMG-KRWDZBQOSA-N 0 3 305.374 1.863 20 10 DDCDHN CC1(C)C=Cc2c(O)c(CN3CCOC[C@H](O)C3)ccc2O1 ZINC001249223783 893878445 /nfs/dbraw/zinc/87/84/45/893878445.db2.gz MIWVSGVGSPALIB-CYBMUJFWSA-N 0 3 305.374 1.770 20 10 DDCDHN Cc1ccc(O)c(CN2CCCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000093014823 193193338 /nfs/dbraw/zinc/19/33/38/193193338.db2.gz RVBRJVVQHSQTIO-INIZCTEOSA-N 0 3 318.417 1.914 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)c([O-])c1C ZINC000273553383 130135332 /nfs/dbraw/zinc/13/53/32/130135332.db2.gz GJIUTIYIBNNAOR-HOCLYGCPSA-N 0 3 319.449 1.999 20 10 DDCDHN CNC(=O)CN1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000284088892 131048154 /nfs/dbraw/zinc/04/81/54/131048154.db2.gz MFEAEJMCBZYDDM-CQSZACIVSA-N 0 3 319.449 1.870 20 10 DDCDHN CCCN(CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1O ZINC000076073992 406953469 /nfs/dbraw/zinc/95/34/69/406953469.db2.gz XXEZWZBLQXFRLV-HNNXBMFYSA-N 0 3 306.406 1.899 20 10 DDCDHN CN1CCc2cc(CNC[C@@H]3CN(C4CC4)CCO3)ccc21 ZINC000122374341 407298979 /nfs/dbraw/zinc/29/89/79/407298979.db2.gz HYBDQTXKEZLKFJ-QGZVFWFLSA-N 0 3 301.434 1.632 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCCS(=O)(=O)C(C)C)c1 ZINC000271739509 407729323 /nfs/dbraw/zinc/72/93/23/407729323.db2.gz UZZRTVRCWZXACI-NSHDSACASA-N 0 3 301.408 1.875 20 10 DDCDHN CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000116869227 407789448 /nfs/dbraw/zinc/78/94/48/407789448.db2.gz JXLOHLAPBMYEJH-CYBMUJFWSA-N 0 3 320.414 1.669 20 10 DDCDHN CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000116869227 407789454 /nfs/dbraw/zinc/78/94/54/407789454.db2.gz JXLOHLAPBMYEJH-CYBMUJFWSA-N 0 3 320.414 1.669 20 10 DDCDHN CNCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237275002 407809623 /nfs/dbraw/zinc/80/96/23/407809623.db2.gz SGGULTBDDPHWKV-NSHDSACASA-N 0 3 313.348 1.592 20 10 DDCDHN CCN1CCN(CCC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000121979518 408247716 /nfs/dbraw/zinc/24/77/16/408247716.db2.gz XDFSSHKQAKJHDI-UHFFFAOYSA-N 0 3 318.465 1.396 20 10 DDCDHN CN(C)c1ccc(CN(CCN2C(=O)CNC2=O)C2CC2)cc1 ZINC000264303324 408435802 /nfs/dbraw/zinc/43/58/02/408435802.db2.gz WEJYMHVHSATYQB-UHFFFAOYSA-N 0 3 316.405 1.269 20 10 DDCDHN O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc(O)c1[O-] ZINC000193148603 408702714 /nfs/dbraw/zinc/70/27/14/408702714.db2.gz PCNZQMIZUNJCNJ-GFCCVEGCSA-N 0 3 308.378 1.065 20 10 DDCDHN O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(O)c1[O-] ZINC000193148603 408702719 /nfs/dbraw/zinc/70/27/19/408702719.db2.gz PCNZQMIZUNJCNJ-GFCCVEGCSA-N 0 3 308.378 1.065 20 10 DDCDHN CCCCN(Cc1ccccc1O)C(=O)C(C)S(C)(=O)=O ZINC000282527733 409057421 /nfs/dbraw/zinc/05/74/21/409057421.db2.gz QDBXOBRWJYCOGL-LBPRGKRZSA-N 0 3 313.419 1.954 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000278274828 409078120 /nfs/dbraw/zinc/07/81/20/409078120.db2.gz SEPXZEIIPYQWPF-OLZOCXBDSA-N 0 3 321.377 1.978 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000278274828 409078121 /nfs/dbraw/zinc/07/81/21/409078121.db2.gz SEPXZEIIPYQWPF-OLZOCXBDSA-N 0 3 321.377 1.978 20 10 DDCDHN COc1c([O-])c(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278570049 409085241 /nfs/dbraw/zinc/08/52/41/409085241.db2.gz CNZSFMXRAMZELQ-LLVKDONJSA-N 0 3 321.377 1.883 20 10 DDCDHN COc1c([O-])c(CNC[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278570049 409085243 /nfs/dbraw/zinc/08/52/43/409085243.db2.gz CNZSFMXRAMZELQ-LLVKDONJSA-N 0 3 321.377 1.883 20 10 DDCDHN COc1c([O-])c(CNC[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278570049 409085246 /nfs/dbraw/zinc/08/52/46/409085246.db2.gz CNZSFMXRAMZELQ-LLVKDONJSA-N 0 3 321.377 1.883 20 10 DDCDHN CCOc1cccc(CN(C)[C@@H](C)CN2CCOCC2)c1O ZINC000279509254 409228233 /nfs/dbraw/zinc/22/82/33/409228233.db2.gz XCKSLARJNSZNIL-AWEZNQCLSA-N 0 3 308.422 1.943 20 10 DDCDHN CCOc1cccc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c1[O-] ZINC000279509254 409228235 /nfs/dbraw/zinc/22/82/35/409228235.db2.gz XCKSLARJNSZNIL-AWEZNQCLSA-N 0 3 308.422 1.943 20 10 DDCDHN CCOc1cccc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1[O-] ZINC000279509254 409228236 /nfs/dbraw/zinc/22/82/36/409228236.db2.gz XCKSLARJNSZNIL-AWEZNQCLSA-N 0 3 308.422 1.943 20 10 DDCDHN CC[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000280136272 409256147 /nfs/dbraw/zinc/25/61/47/409256147.db2.gz PHYIFCRGUFUQMW-CQSZACIVSA-N 0 3 315.435 1.803 20 10 DDCDHN CO[C@H](CN)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000289597058 409282762 /nfs/dbraw/zinc/28/27/62/409282762.db2.gz NMMDNJWIQWRPJZ-MRXNPFEDSA-N 0 3 305.422 1.609 20 10 DDCDHN COc1cc(N(C)C[C@@H](O)CN(C)C2CC2)cc(OC)c1OC ZINC000290035175 409292056 /nfs/dbraw/zinc/29/20/56/409292056.db2.gz QLFHHAPMXVXPDW-AWEZNQCLSA-N 0 3 324.421 1.604 20 10 DDCDHN CC[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(C)cc1[O-] ZINC000290144068 409308801 /nfs/dbraw/zinc/30/88/01/409308801.db2.gz KWSLSEUFPPRFAP-ZDUSSCGKSA-N 0 3 300.424 1.633 20 10 DDCDHN CO[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000374680848 418555656 /nfs/dbraw/zinc/55/56/56/418555656.db2.gz SFMUDHANFJTUQB-KRWDZBQOSA-N 0 3 319.449 1.870 20 10 DDCDHN O=C1NC(=O)[C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CC[C@@H]12 ZINC000367780951 418634867 /nfs/dbraw/zinc/63/48/67/418634867.db2.gz RKVYSJZXQBZAKH-UKRRQHHQSA-N 0 3 310.353 1.640 20 10 DDCDHN O=C1NC(=O)[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CC[C@@H]12 ZINC000367780951 418634868 /nfs/dbraw/zinc/63/48/68/418634868.db2.gz RKVYSJZXQBZAKH-UKRRQHHQSA-N 0 3 310.353 1.640 20 10 DDCDHN C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1ccccc1[O-] ZINC000375517593 418654367 /nfs/dbraw/zinc/65/43/67/418654367.db2.gz WXKIMGXTUKCSLM-XTQGRXLLSA-N 0 3 314.389 1.796 20 10 DDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000368037309 418677484 /nfs/dbraw/zinc/67/74/84/418677484.db2.gz IVIFSLNHPCCFPM-CNPQOGTOSA-N 0 3 318.373 1.090 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c1 ZINC000370286303 418742387 /nfs/dbraw/zinc/74/23/87/418742387.db2.gz URNUXSGQGBGYAD-PBHICJAKSA-N 0 3 304.390 1.938 20 10 DDCDHN CCN1C(=O)[C@H]2CN(Cc3cc(C)c(C)cc3O)CCN2C1=O ZINC000378369685 418722498 /nfs/dbraw/zinc/72/24/98/418722498.db2.gz JIKLFRPXZMCYAS-CQSZACIVSA-N 0 3 317.389 1.477 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCCN(c3ccncn3)C2)c1 ZINC000378453777 418723621 /nfs/dbraw/zinc/72/36/21/418723621.db2.gz JIBYHSAQRBQIGJ-CQSZACIVSA-N 0 3 314.389 1.949 20 10 DDCDHN COc1c([O-])c(CN2CC[C@@H](n3cncn3)C2)ccc1[N+](=O)[O-] ZINC000373202747 418932055 /nfs/dbraw/zinc/93/20/55/418932055.db2.gz IZWYRDIOFOEKEQ-LLVKDONJSA-N 0 3 319.321 1.348 20 10 DDCDHN CN1CCN(C(=O)c2cccc3c2CCNC3)c2cccnc21 ZINC000662734181 424750462 /nfs/dbraw/zinc/75/04/62/424750462.db2.gz OJHKAUUWIMZHML-UHFFFAOYSA-N 0 3 308.385 1.824 20 10 DDCDHN C[C@H](O)CN1CCN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC000284529123 278295125 /nfs/dbraw/zinc/29/51/25/278295125.db2.gz ZUFNQTHCESAANK-KBPBESRZSA-N 0 3 309.429 1.779 20 10 DDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@]1(CO)COc2ccccc2C1 ZINC000529645376 307565128 /nfs/dbraw/zinc/56/51/28/307565128.db2.gz UADSYBYIVAVBOS-KRWDZBQOSA-N 0 3 303.333 1.987 20 10 DDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000131588305 523384993 /nfs/dbraw/zinc/38/49/93/523384993.db2.gz KUBMMLYMDAAFQV-CYBMUJFWSA-N 0 3 312.435 1.496 20 10 DDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000131588305 523384995 /nfs/dbraw/zinc/38/49/95/523384995.db2.gz KUBMMLYMDAAFQV-CYBMUJFWSA-N 0 3 312.435 1.496 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000182324692 524762531 /nfs/dbraw/zinc/76/25/31/524762531.db2.gz WYKXYNRDGBNCID-SNVBAGLBSA-N 0 3 306.322 1.856 20 10 DDCDHN CCOc1ccc(O)c(CNCC2(S(C)(=O)=O)CCC2)c1 ZINC000279785241 535752699 /nfs/dbraw/zinc/75/26/99/535752699.db2.gz LSEGWIJKIIQXGC-UHFFFAOYSA-N 0 3 313.419 1.848 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2nncs2)c1 ZINC000182417533 697474702 /nfs/dbraw/zinc/47/47/02/697474702.db2.gz WCNBHYKIUOEAHY-MRVPVSSYSA-N 0 3 308.363 1.542 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c([O-])c1 ZINC000186168918 697530721 /nfs/dbraw/zinc/53/07/21/697530721.db2.gz UWTHHYIYFRBMAB-CHWSQXEVSA-N 0 3 312.435 1.775 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NC(=O)NC2CC2)c1 ZINC000775368558 697989101 /nfs/dbraw/zinc/98/91/01/697989101.db2.gz AUNGVMIFQXHDKY-VIFPVBQESA-N 0 3 307.350 1.040 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)c1O ZINC000322613798 698736026 /nfs/dbraw/zinc/73/60/26/698736026.db2.gz DAEZTYGAZHAPJO-NHYWBVRUSA-N 0 3 320.364 1.834 20 10 DDCDHN COc1cc(Cl)cc(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c1O ZINC000711726736 699259741 /nfs/dbraw/zinc/25/97/41/699259741.db2.gz NBHWRHWZIKAWMR-GZMMTYOYSA-N 0 3 319.810 1.577 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c1[O-] ZINC000711726736 699259743 /nfs/dbraw/zinc/25/97/43/699259743.db2.gz NBHWRHWZIKAWMR-GZMMTYOYSA-N 0 3 319.810 1.577 20 10 DDCDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cnn(C)c2)C1 ZINC000731465383 699529201 /nfs/dbraw/zinc/52/92/01/699529201.db2.gz HJTQMDUCOTVAKN-HLRDLLSLSA-N 0 3 310.401 1.953 20 10 DDCDHN COC(=O)[C@@H](C)N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000793325951 699750460 /nfs/dbraw/zinc/75/04/60/699750460.db2.gz YZQABBXVTGYDET-CQSZACIVSA-N 0 3 305.422 1.432 20 10 DDCDHN C[C@H](CC(N)=O)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000765791285 701027408 /nfs/dbraw/zinc/02/74/08/701027408.db2.gz PBWQNEKMFAMZNM-GFCCVEGCSA-N 0 3 320.393 1.939 20 10 DDCDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768448748 701177931 /nfs/dbraw/zinc/17/79/31/701177931.db2.gz WJBJHWYLELSTTI-HZMBPMFUSA-N 0 3 307.346 1.203 20 10 DDCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768448748 701177933 /nfs/dbraw/zinc/17/79/33/701177933.db2.gz WJBJHWYLELSTTI-HZMBPMFUSA-N 0 3 307.346 1.203 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]([C@H]3CCOC3)C1)[C@H](O)CO2 ZINC000768464025 701179963 /nfs/dbraw/zinc/17/99/63/701179963.db2.gz ZAUWZBWPXBODQM-MQIPJXDCSA-N 0 3 305.374 1.676 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]([C@H]3CCOC3)C1)[C@H](O)CO2 ZINC000768464025 701179965 /nfs/dbraw/zinc/17/99/65/701179965.db2.gz ZAUWZBWPXBODQM-MQIPJXDCSA-N 0 3 305.374 1.676 20 10 DDCDHN OCC[C@H]1CSCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000770305715 701274163 /nfs/dbraw/zinc/27/41/63/701274163.db2.gz JJXDGVSVHDDKMY-KRWDZBQOSA-N 0 3 322.474 1.823 20 10 DDCDHN Cc1cc(CN2CCN([C@H]3CCOC3)CC2)ccc1N(C)C ZINC000815075698 701793801 /nfs/dbraw/zinc/79/38/01/701793801.db2.gz JWTRUZXJDGACSS-KRWDZBQOSA-N 0 3 303.450 1.968 20 10 DDCDHN C[C@@H](CC(N)=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840761156 702230727 /nfs/dbraw/zinc/23/07/27/702230727.db2.gz RRSMSUSLMIHPMN-JTQLQIEISA-N 0 3 313.348 1.155 20 10 DDCDHN CN(C[C@H]1CCCN(C(=O)CN)C1)c1ccc2c(c1)OCO2 ZINC000841011053 702309245 /nfs/dbraw/zinc/30/92/45/702309245.db2.gz BINDTPHIXSFIKQ-GFCCVEGCSA-N 0 3 305.378 1.049 20 10 DDCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCc3nnnn3CC2)c1[O-] ZINC000817419071 702375970 /nfs/dbraw/zinc/37/59/70/702375970.db2.gz OWCUHKVZCUJBQX-LBPRGKRZSA-N 0 3 307.785 1.835 20 10 DDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H](C)CN1 ZINC000841832248 702576303 /nfs/dbraw/zinc/57/63/03/702576303.db2.gz LJFRTTQJVYZOTN-HUUCEWRRSA-N 0 3 314.433 1.955 20 10 DDCDHN CN(C)c1ccc(CNC[C@@H]2CN(C3CC3)C(=O)O2)cc1F ZINC000848576820 703564227 /nfs/dbraw/zinc/56/42/27/703564227.db2.gz CDJZMDHOJNQYHH-CYBMUJFWSA-N 0 3 307.369 1.965 20 10 DDCDHN CO[C@](C)(CO)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000848921849 703604073 /nfs/dbraw/zinc/60/40/73/703604073.db2.gz IFYPUIOPILRZDX-ZDUSSCGKSA-N 0 3 318.211 1.950 20 10 DDCDHN c1nn2c(c1CNCc1ccc(N3CCOCC3)cc1)CCC2 ZINC000850069487 703701149 /nfs/dbraw/zinc/70/11/49/703701149.db2.gz NUYCPEATXVPBNC-UHFFFAOYSA-N 0 3 312.417 1.956 20 10 DDCDHN COc1ccc(N2CC[C@H](N[C@H](C)CS(C)(=O)=O)C2)cc1 ZINC000850489623 703733632 /nfs/dbraw/zinc/73/36/32/703733632.db2.gz WDZGBRVAMYKROX-OLZOCXBDSA-N 0 3 312.435 1.297 20 10 DDCDHN Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c([O-])c1O ZINC000856253869 704520269 /nfs/dbraw/zinc/52/02/69/704520269.db2.gz PPPUKASGPCTVJL-ZDUSSCGKSA-N 0 3 320.389 1.077 20 10 DDCDHN Cc1ccc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c([O-])c1O ZINC000856253869 704520270 /nfs/dbraw/zinc/52/02/70/704520270.db2.gz PPPUKASGPCTVJL-ZDUSSCGKSA-N 0 3 320.389 1.077 20 10 DDCDHN C[C@H](Nc1nc(N)nc(N)n1)c1ccc(N2CCOCC2)cc1 ZINC000858365127 704700430 /nfs/dbraw/zinc/70/04/30/704700430.db2.gz LCQAXOVCENLIMQ-JTQLQIEISA-N 0 3 315.381 1.046 20 10 DDCDHN COc1cc(CN2CC[C@H](NC(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000824943409 705562999 /nfs/dbraw/zinc/56/29/99/705562999.db2.gz NBYYEAYFLGDFIT-LBPRGKRZSA-N 0 3 321.421 1.941 20 10 DDCDHN COc1cc(O)c(CN[C@H]2CCN(C3CCC3)C2=O)cc1OC ZINC000862551308 705731900 /nfs/dbraw/zinc/73/19/00/705731900.db2.gz LXTAATJGDQLADG-ZDUSSCGKSA-N 0 3 320.389 1.652 20 10 DDCDHN CN(C)c1ccc(CNC(=O)c2c(CN)cnn2C)cc1F ZINC000876739848 705851044 /nfs/dbraw/zinc/85/10/44/705851044.db2.gz JJOJJTICXHOYQR-UHFFFAOYSA-N 0 3 305.357 1.014 20 10 DDCDHN COCc1nc2n(n1)C[C@H]([NH2+]Cc1c(C)cccc1[O-])CC2 ZINC000877095635 705981245 /nfs/dbraw/zinc/98/12/45/705981245.db2.gz SCKNXSZQWUPFNG-GFCCVEGCSA-N 0 3 302.378 1.543 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c([O-])c1 ZINC000877158903 706001943 /nfs/dbraw/zinc/00/19/43/706001943.db2.gz OIYOKAJITBXECC-JSGCOSHPSA-N 0 3 312.435 1.508 20 10 DDCDHN C[C@@H](O)[C@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000865740616 706511578 /nfs/dbraw/zinc/51/15/78/706511578.db2.gz JHMNLXINDYRRKG-MLGOLLRUSA-N 0 3 323.393 1.416 20 10 DDCDHN CN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCCCN(C)C1=O ZINC000872676343 707553933 /nfs/dbraw/zinc/55/39/33/707553933.db2.gz QZIJSULPRBMOJB-HIFRSBDPSA-N 0 3 320.389 1.261 20 10 DDCDHN CCOC(=O)N1C[C@H]([NH2+]Cc2ccc(C)cc2[O-])[C@@H](CO)C1 ZINC000898347961 708615700 /nfs/dbraw/zinc/61/57/00/708615700.db2.gz BLXBOKRTCJYPHI-KGLIPLIRSA-N 0 3 308.378 1.239 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCCO2)N(C)C)cc1 ZINC000899101500 708983526 /nfs/dbraw/zinc/98/35/26/708983526.db2.gz INPRXJFXIPOSLT-HNNXBMFYSA-N 0 3 306.410 1.702 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)c(O)c1O ZINC000889760081 709617821 /nfs/dbraw/zinc/61/78/21/709617821.db2.gz BBMAYUBTEZDGCJ-UONOGXRCSA-N 0 3 320.389 1.077 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)CC2(C)COC2)N(C)C)cc1 ZINC000891243920 710139538 /nfs/dbraw/zinc/13/95/38/710139538.db2.gz VYRAANOOKUCAQN-INIZCTEOSA-N 0 3 319.449 1.898 20 10 DDCDHN CN(C)CCn1nccc1C(=O)NCc1cc(Cl)ccc1O ZINC000911896962 711056957 /nfs/dbraw/zinc/05/69/57/711056957.db2.gz FYGCPSLLXOUZPG-UHFFFAOYSA-N 0 3 322.796 1.734 20 10 DDCDHN COc1ccc(CN2C[C@H](C)N(CCO)C[C@@H]2C)c(O)c1OC ZINC000894954967 711337085 /nfs/dbraw/zinc/33/70/85/711337085.db2.gz FCCCNRWMDBLUSE-STQMWFEESA-N 0 3 324.421 1.296 20 10 DDCDHN COc1ccc(CN2CCC[C@H](n3ccnn3)C2)c(O)c1OC ZINC000895010490 711365665 /nfs/dbraw/zinc/36/56/65/711365665.db2.gz XRFCMASVRYZOKI-ZDUSSCGKSA-N 0 3 318.377 1.838 20 10 DDCDHN COc1cc(C)cc(CN[C@H]2CCN(C3CCC3)C2=O)c1O ZINC000895415894 711507192 /nfs/dbraw/zinc/50/71/92/711507192.db2.gz OKXHVXSTGYWDNO-AWEZNQCLSA-N 0 3 304.390 1.952 20 10 DDCDHN CN(C)c1cc(F)c(CNCC[C@H]2CC(=O)N(C)C2)cc1F ZINC000922484750 714067615 /nfs/dbraw/zinc/06/76/15/714067615.db2.gz OSNXGIAFXCWHNB-NSHDSACASA-N 0 3 311.376 1.989 20 10 DDCDHN COc1ccc(N2CCN(CCCC3OCCO3)CC2)cc1 ZINC001209303520 732672617 /nfs/dbraw/zinc/67/26/17/732672617.db2.gz KIVHTJHIUOHCPF-UHFFFAOYSA-N 0 3 306.406 1.970 20 10 DDCDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(Cc2ccccc2O)C1 ZINC001203550212 751156141 /nfs/dbraw/zinc/15/61/41/751156141.db2.gz MLZXBIVHWBDEHY-KGLIPLIRSA-N 0 3 322.405 1.852 20 10 DDCDHN CC(C)N(CCN(C)C)C(=O)C(=O)N(C)Cc1ccccc1O ZINC001117962148 780964821 /nfs/dbraw/zinc/96/48/21/780964821.db2.gz HBORJCOEDGRDID-UHFFFAOYSA-N 0 3 321.421 1.149 20 10 DDCDHN CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618045 846415168 /nfs/dbraw/zinc/41/51/68/846415168.db2.gz ALGWFZCSDAOISS-FZKQIMNGSA-N 0 3 316.401 1.794 20 10 DDCDHN CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618045 846415173 /nfs/dbraw/zinc/41/51/73/846415173.db2.gz ALGWFZCSDAOISS-FZKQIMNGSA-N 0 3 316.401 1.794 20 10 DDCDHN CN(C)c1ccc(CNC(=O)c2cc3n(n2)CCC[C@H]3N)cc1 ZINC001121901204 858626086 /nfs/dbraw/zinc/62/60/86/858626086.db2.gz MCOHVKCWFPTTTD-CQSZACIVSA-N 0 3 313.405 1.673 20 10 DDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)Cc1cncnc1 ZINC001139411663 860389395 /nfs/dbraw/zinc/38/93/95/860389395.db2.gz XUORARZOGKJXFL-UHFFFAOYSA-N 0 3 311.433 1.860 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])CC[C@H]21 ZINC001140063278 860568538 /nfs/dbraw/zinc/56/85/38/860568538.db2.gz PUBBNBAXTZUGIE-NVXWUHKLSA-N 0 3 322.380 1.743 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])CC[C@H]21 ZINC001140063278 860568543 /nfs/dbraw/zinc/56/85/43/860568543.db2.gz PUBBNBAXTZUGIE-NVXWUHKLSA-N 0 3 322.380 1.743 20 10 DDCDHN CCN1CCN(c2ccc(CN(C)CC(=O)NC)cc2)CC1 ZINC001140301916 860614636 /nfs/dbraw/zinc/61/46/36/860614636.db2.gz DANFUGQXOMNVGP-UHFFFAOYSA-N 0 3 304.438 1.006 20 10 DDCDHN Cc1c(O)ccc(CN2CCC[C@@H](NC(=O)CN(C)C)C2)c1O ZINC001140749720 860691676 /nfs/dbraw/zinc/69/16/76/860691676.db2.gz KOSSEOPACYXLGX-CQSZACIVSA-N 0 3 321.421 1.048 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC[C@@H](C)S(C)(=O)=O)C2)cc1 ZINC001335412736 868281994 /nfs/dbraw/zinc/28/19/94/868281994.db2.gz KDOFKBSHMFZHNN-CHWSQXEVSA-N 0 3 312.435 1.297 20 10 DDCDHN CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CCN2Cc2ccc(N(C)C)cc2)O1 ZINC001203931072 870840623 /nfs/dbraw/zinc/84/06/23/870840623.db2.gz AYDMIZPDPKLIQZ-BRWVUGGUSA-N 0 3 317.433 1.573 20 10 DDCDHN COCC[N@H+](CCC(=O)OC)Cc1c(C)cc(OC)cc1[O-] ZINC001308624302 871517249 /nfs/dbraw/zinc/51/72/49/871517249.db2.gz QHTKTXULUNQOIH-UHFFFAOYSA-N 0 3 311.378 1.721 20 10 DDCDHN COCC[N@@H+](CCC(=O)OC)Cc1c(C)cc(OC)cc1[O-] ZINC001308624302 871517253 /nfs/dbraw/zinc/51/72/53/871517253.db2.gz QHTKTXULUNQOIH-UHFFFAOYSA-N 0 3 311.378 1.721 20 10 DDCDHN O=C(N1CC=CC1)[C@]12C[C@H]1CCN2Cc1ccc(O)cc1O ZINC001277196327 882953576 /nfs/dbraw/zinc/95/35/76/882953576.db2.gz GFQQSVUZIHYUDF-DYVFJYSZSA-N 0 3 300.358 1.461 20 10 DDCDHN COc1cc(C)cc(CN[C@H](C)C(=O)NCC(F)(F)F)c1O ZINC001353585555 877432745 /nfs/dbraw/zinc/43/27/45/877432745.db2.gz YHKQOGNQUBZEBY-SECBINFHSA-N 0 3 320.311 1.866 20 10 DDCDHN O=C(Nc1cn[nH]c1)[C@@H]1CC12CN(Cc1c(O)cccc1F)C2 ZINC001277483761 885180877 /nfs/dbraw/zinc/18/08/77/885180877.db2.gz ASHLUWPDJOOYCZ-LBPRGKRZSA-N 0 3 316.336 1.715 20 10 DDCDHN O=C(Nc1cn[nH]c1)[C@@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2 ZINC001277483761 885180880 /nfs/dbraw/zinc/18/08/80/885180880.db2.gz ASHLUWPDJOOYCZ-LBPRGKRZSA-N 0 3 316.336 1.715 20 10 DDCDHN CCOC(=O)C[C@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233483113 887014861 /nfs/dbraw/zinc/01/48/61/887014861.db2.gz OGBUISCWRNAKDH-LLVKDONJSA-N 0 3 309.362 1.969 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c([O-])c1 ZINC001249178621 893855164 /nfs/dbraw/zinc/85/51/64/893855164.db2.gz SXQZFQUOSABSOI-QGZVFWFLSA-N 0 3 305.374 1.863 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@]3(CCCO3)C2)c([O-])c1 ZINC001249178621 893855174 /nfs/dbraw/zinc/85/51/74/893855174.db2.gz SXQZFQUOSABSOI-QGZVFWFLSA-N 0 3 305.374 1.863 20 10 DDCDHN C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001256342582 897388832 /nfs/dbraw/zinc/38/88/32/897388832.db2.gz HRIQGPDWUVRFCJ-CYBMUJFWSA-N 0 3 304.390 1.388 20 10 DDCDHN C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCc2cccc([O-])c2C1 ZINC001256342582 897388846 /nfs/dbraw/zinc/38/88/46/897388846.db2.gz HRIQGPDWUVRFCJ-CYBMUJFWSA-N 0 3 304.390 1.388 20 10 DDCDHN CN1CCc2cc(CNC[C@H]3CN(C4CC4)CCO3)ccc21 ZINC000122374580 407299399 /nfs/dbraw/zinc/29/93/99/407299399.db2.gz HYBDQTXKEZLKFJ-KRWDZBQOSA-N 0 3 301.434 1.632 20 10 DDCDHN COc1cccc(C[NH2+][C@H](C)CCN2CCN(C)CC2)c1[O-] ZINC000185868054 407524096 /nfs/dbraw/zinc/52/40/96/407524096.db2.gz BRHVPGCIAQDXHT-CQSZACIVSA-N 0 3 307.438 1.516 20 10 DDCDHN COc1ccc(O)c(CN2CCC(NC(=O)C3CC3)CC2)c1 ZINC000179662323 407818498 /nfs/dbraw/zinc/81/84/98/407818498.db2.gz VOJKSGINSAABRW-UHFFFAOYSA-N 0 3 304.390 1.891 20 10 DDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000273621361 408267715 /nfs/dbraw/zinc/26/77/15/408267715.db2.gz ZCYPIRHYJICXPK-CHWSQXEVSA-N 0 3 312.435 1.775 20 10 DDCDHN C[C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)N(C)C ZINC000264616914 408543609 /nfs/dbraw/zinc/54/36/09/408543609.db2.gz IJTARLXPDLFVQF-RZIFZGNASA-N 0 3 317.433 1.603 20 10 DDCDHN C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000276904179 408902608 /nfs/dbraw/zinc/90/26/08/408902608.db2.gz JNCXISHTAUQGDX-GHMZBOCLSA-N 0 3 300.349 1.778 20 10 DDCDHN O=c1[nH]ccc2c1CN(Cc1cc3c(cc1O)OCO3)CC2 ZINC000277113598 408905131 /nfs/dbraw/zinc/90/51/31/408905131.db2.gz WXMYIGSMNLLUBU-UHFFFAOYSA-N 0 3 300.314 1.780 20 10 DDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(OCCO)CCOCC2)c1 ZINC000281912996 408952892 /nfs/dbraw/zinc/95/28/92/408952892.db2.gz ACXRADUSFREVFY-CQSZACIVSA-N 0 3 309.406 1.909 20 10 DDCDHN CCCOc1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c([O-])c1 ZINC000280296986 409287217 /nfs/dbraw/zinc/28/72/17/409287217.db2.gz NFRIGPREXJCLKF-CABCVRRESA-N 0 3 309.406 1.916 20 10 DDCDHN CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@@H](O)C(F)F ZINC000295082320 409315826 /nfs/dbraw/zinc/31/58/26/409315826.db2.gz QNBNSGQFXCYWCX-NOZJJQNGSA-N 0 3 305.321 1.904 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000377697782 418712688 /nfs/dbraw/zinc/71/26/88/418712688.db2.gz JAEJYKAWMIRHSN-ZDUSSCGKSA-N 0 3 313.423 1.055 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000377697782 418712691 /nfs/dbraw/zinc/71/26/91/418712691.db2.gz JAEJYKAWMIRHSN-ZDUSSCGKSA-N 0 3 313.423 1.055 20 10 DDCDHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCN(c3ccn(C)n3)C2=O)c1 ZINC000368315003 418718956 /nfs/dbraw/zinc/71/89/56/418718956.db2.gz BFPVRHJEXQGBDF-OCCSQVGLSA-N 0 3 314.389 1.890 20 10 DDCDHN COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccccc3[O-])C2)nn1 ZINC000363907282 418771140 /nfs/dbraw/zinc/77/11/40/418771140.db2.gz KPYZTVVYLXVEHJ-LBPRGKRZSA-N 0 3 302.334 1.217 20 10 DDCDHN COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)nn1 ZINC000363907282 418771142 /nfs/dbraw/zinc/77/11/42/418771142.db2.gz KPYZTVVYLXVEHJ-LBPRGKRZSA-N 0 3 302.334 1.217 20 10 DDCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1ccccc1[O-] ZINC000378513058 418724179 /nfs/dbraw/zinc/72/41/79/418724179.db2.gz ZLFFLVAGHUCHCA-DGCLKSJQSA-N 0 3 300.362 1.582 20 10 DDCDHN CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1ccccc1[O-] ZINC000527756232 307518387 /nfs/dbraw/zinc/51/83/87/307518387.db2.gz YEGYKYCWUPOYDV-QGZVFWFLSA-N 0 3 306.406 1.098 20 10 DDCDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180808747 524895732 /nfs/dbraw/zinc/89/57/32/524895732.db2.gz ADZYILPFXWIJNB-FROLJDDGSA-N 0 3 304.390 1.910 20 10 DDCDHN C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccccc1[O-] ZINC000179903194 525635267 /nfs/dbraw/zinc/63/52/67/525635267.db2.gz WTWDKWBZBYMHIS-TZMCWYRMSA-N 0 3 314.389 1.972 20 10 DDCDHN COc1cccc(CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1O ZINC000130251700 525993441 /nfs/dbraw/zinc/99/34/41/525993441.db2.gz ZSCOUOBAKIQNJY-YPMHNXCESA-N 0 3 319.405 1.825 20 10 DDCDHN NC(=O)c1cccc(CNCc2cc3c(cc2O)OCO3)c1 ZINC000063255946 696326729 /nfs/dbraw/zinc/32/67/29/696326729.db2.gz OGDYQENFFMKWMQ-UHFFFAOYSA-N 0 3 300.314 1.510 20 10 DDCDHN C[C@H](NCC(=O)N1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000775261080 697976977 /nfs/dbraw/zinc/97/69/77/697976977.db2.gz SKMBVRQGZCOZKJ-HNNXBMFYSA-N 0 3 317.433 1.796 20 10 DDCDHN CN1CCN(c2ccc(CN3CC(=O)NCC3(C)C)cc2)CC1 ZINC000800538758 700232002 /nfs/dbraw/zinc/23/20/02/700232002.db2.gz AWRHOTLZVNKEPI-UHFFFAOYSA-N 0 3 316.449 1.149 20 10 DDCDHN CNS(=O)(=O)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000784053232 698906018 /nfs/dbraw/zinc/90/60/18/698906018.db2.gz YZIAZAYTIUJSKK-WPRPVWTQSA-N 0 3 302.371 1.218 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)[C@H](O)CO2 ZINC000789506625 699391140 /nfs/dbraw/zinc/39/11/40/699391140.db2.gz NDWDOSCHXBIMCF-FVQBIDKESA-N 0 3 305.374 1.961 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)[C@H](O)CO2 ZINC000789506625 699391144 /nfs/dbraw/zinc/39/11/44/699391144.db2.gz NDWDOSCHXBIMCF-FVQBIDKESA-N 0 3 305.374 1.961 20 10 DDCDHN O=C1CNC(=O)N1CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204353 699550078 /nfs/dbraw/zinc/55/00/78/699550078.db2.gz JKAPQHJZJAYOEZ-UHFFFAOYSA-N 0 3 317.389 1.689 20 10 DDCDHN O=C1CNC(=O)N1CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204353 699550079 /nfs/dbraw/zinc/55/00/79/699550079.db2.gz JKAPQHJZJAYOEZ-UHFFFAOYSA-N 0 3 317.389 1.689 20 10 DDCDHN CN1CCC(O)(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790970824 699605515 /nfs/dbraw/zinc/60/55/15/699605515.db2.gz HXMOLVRGDDBZRX-UHFFFAOYSA-N 0 3 302.777 1.731 20 10 DDCDHN CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1F ZINC000734272662 699645201 /nfs/dbraw/zinc/64/52/01/699645201.db2.gz NQRNFKYVQNTEGN-CYBMUJFWSA-N 0 3 320.412 1.928 20 10 DDCDHN COc1ccc(C[NH2+]C2CCN(C(=O)N(C)C)CC2)c([O-])c1 ZINC000793387448 699753367 /nfs/dbraw/zinc/75/33/67/699753367.db2.gz DQZQCUODBGMHEE-UHFFFAOYSA-N 0 3 307.394 1.636 20 10 DDCDHN Cc1cc(C)c(O)c(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000793587734 699766115 /nfs/dbraw/zinc/76/61/15/699766115.db2.gz JLUPMAMPVRZOSV-AWEZNQCLSA-N 0 3 312.435 1.475 20 10 DDCDHN C[C@H](CNCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O ZINC000754085440 700481915 /nfs/dbraw/zinc/48/19/15/700481915.db2.gz MDFBIGPYIMSPJQ-CYBMUJFWSA-N 0 3 312.435 1.046 20 10 DDCDHN C[C@H]1C[C@H]([NH2+]CCCNS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756374132 700618240 /nfs/dbraw/zinc/61/82/40/700618240.db2.gz ZXSZBAWVQSIOOR-ONGXEEELSA-N 0 3 316.398 1.609 20 10 DDCDHN C[C@H]([NH2+]C[C@@H](O)CN(C)C)c1cc(Br)ccc1[O-] ZINC000756558254 700628249 /nfs/dbraw/zinc/62/82/49/700628249.db2.gz ZDGTVNLZZPQGCQ-GXSJLCMTSA-N 0 3 317.227 1.728 20 10 DDCDHN COCCN1CC[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868284437 702042056 /nfs/dbraw/zinc/04/20/56/702042056.db2.gz BYTCCIJPJIKISQ-QWHCGFSZSA-N 0 3 307.394 1.473 20 10 DDCDHN COc1ccc(O)c(CN2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000816641641 702133663 /nfs/dbraw/zinc/13/36/63/702133663.db2.gz AGDOHPDWJRJHIZ-AWEZNQCLSA-N 0 3 318.377 1.322 20 10 DDCDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841831181 702575570 /nfs/dbraw/zinc/57/55/70/702575570.db2.gz CPXAWKUKTFMSPJ-LSDHHAIUSA-N 0 3 314.433 1.955 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2=O)c2c1c(F)ccc2[O-] ZINC000818362065 702640029 /nfs/dbraw/zinc/64/00/29/702640029.db2.gz PBKYLCHHYNIYCG-FBIMIBRVSA-N 0 3 306.337 1.817 20 10 DDCDHN CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000825196628 705622478 /nfs/dbraw/zinc/62/24/78/705622478.db2.gz KOSKODDUHYJOPX-DGCLKSJQSA-N 0 3 301.770 1.948 20 10 DDCDHN CC(C)CC[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000876726773 705842501 /nfs/dbraw/zinc/84/25/01/705842501.db2.gz QHTXCGGJUWVJET-QGZVFWFLSA-N 0 3 319.449 1.903 20 10 DDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(N)CCOCC2)c1 ZINC000863541522 705952447 /nfs/dbraw/zinc/95/24/47/705952447.db2.gz NUHOAAITKSZMHG-NSHDSACASA-N 0 3 308.378 1.337 20 10 DDCDHN COc1cc(N2CCN(Cc3c(C)cccc3O)CC2)ncn1 ZINC000877370455 706083435 /nfs/dbraw/zinc/08/34/35/706083435.db2.gz AXOWGVDOOQWXIA-UHFFFAOYSA-N 0 3 314.389 1.821 20 10 DDCDHN Cc1cccc(O)c1CN1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000877504211 706125138 /nfs/dbraw/zinc/12/51/38/706125138.db2.gz CJHJFUVGFGNMDF-UHFFFAOYSA-N 0 3 324.446 1.701 20 10 DDCDHN Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c([O-])c1 ZINC000877527467 706132139 /nfs/dbraw/zinc/13/21/39/706132139.db2.gz NVIKFJJOGHUSKZ-UHFFFAOYSA-N 0 3 303.362 1.217 20 10 DDCDHN CN(C)c1ccc(/C=C/CNCCN2CCCS2(=O)=O)cc1 ZINC000835036862 707160440 /nfs/dbraw/zinc/16/04/40/707160440.db2.gz GDAMCOQQFKYNPK-HWKANZROSA-N 0 3 323.462 1.391 20 10 DDCDHN COC(=O)C1=NO[C@]2(CCN(Cc3cc(C)c(C)cc3O)C2)C1 ZINC000872709209 707566203 /nfs/dbraw/zinc/56/62/03/707566203.db2.gz KAFAXBLMIRKCQR-QGZVFWFLSA-N 0 3 318.373 1.903 20 10 DDCDHN CN(C)c1ccc([C@H](CNCc2ncnn2C)N(C)C)cc1 ZINC000898446978 708642275 /nfs/dbraw/zinc/64/22/75/708642275.db2.gz DBUVGNXNCZBAND-HNNXBMFYSA-N 0 3 302.426 1.274 20 10 DDCDHN CN(C)c1ccc([C@H](CNCc2ccn(C)n2)N(C)C)cc1 ZINC000898451697 708644695 /nfs/dbraw/zinc/64/46/95/708644695.db2.gz NYLKUVLCKQHPPZ-KRWDZBQOSA-N 0 3 301.438 1.879 20 10 DDCDHN O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cccc(O)c1[O-] ZINC000898634594 708822348 /nfs/dbraw/zinc/82/23/48/708822348.db2.gz CRMFBXJODLIUAF-UHFFFAOYSA-N 0 3 320.389 1.471 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cccnn2)N(C)C)cc1 ZINC000891245762 710140126 /nfs/dbraw/zinc/14/01/26/710140126.db2.gz ITKJEHDTRIPNJB-MRXNPFEDSA-N 0 3 313.405 1.575 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2c[nH]cn2)N(C)C)cc1 ZINC000891248241 710141082 /nfs/dbraw/zinc/14/10/82/710141082.db2.gz XDDPHOMHSIORBE-MRXNPFEDSA-N 0 3 315.421 1.437 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2=CCOCC2)N(C)C)cc1 ZINC000891250174 710142010 /nfs/dbraw/zinc/14/20/10/710142010.db2.gz ZSTZWDCLDHJOOB-QGZVFWFLSA-N 0 3 317.433 1.818 20 10 DDCDHN COc1ccc(CNCC(=O)NCc2ccco2)c(O)c1OC ZINC000892528328 710451693 /nfs/dbraw/zinc/45/16/93/710451693.db2.gz UBGMTCYNWSBAQY-UHFFFAOYSA-N 0 3 320.345 1.408 20 10 DDCDHN C[C@@H](CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893105509 710555558 /nfs/dbraw/zinc/55/55/58/710555558.db2.gz UIUWACJLCJTCRV-BBRMVZONSA-N 0 3 322.453 1.425 20 10 DDCDHN COc1ccc(CN2CCC3(COC(=O)N3)CC2)c(O)c1OC ZINC000893528491 710690463 /nfs/dbraw/zinc/69/04/63/710690463.db2.gz XROZNOCEIGYQLU-UHFFFAOYSA-N 0 3 322.361 1.484 20 10 DDCDHN C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cn(C)nn1 ZINC000903449214 711131055 /nfs/dbraw/zinc/13/10/55/711131055.db2.gz WYKPXGMIAREWGH-DYVFJYSZSA-N 0 3 316.453 1.835 20 10 DDCDHN COCCONC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894511695 711156908 /nfs/dbraw/zinc/15/69/08/711156908.db2.gz PSSYYAVHPVNQSY-OAHLLOKOSA-N 0 3 324.425 1.233 20 10 DDCDHN CCOc1ccc(C[N@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)c([O-])c1 ZINC000895576254 711547718 /nfs/dbraw/zinc/54/77/18/711547718.db2.gz MAQULWBIAACZCQ-GASCZTMLSA-N 0 3 304.390 1.701 20 10 DDCDHN CCOc1ccc(C[N@@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)c([O-])c1 ZINC000895576254 711547721 /nfs/dbraw/zinc/54/77/21/711547721.db2.gz MAQULWBIAACZCQ-GASCZTMLSA-N 0 3 304.390 1.701 20 10 DDCDHN CN1CCC(NC(=S)NCCc2ccc(O)c(O)c2)CC1 ZINC000920306812 713660752 /nfs/dbraw/zinc/66/07/52/713660752.db2.gz OYMMGENHGYDAMW-UHFFFAOYSA-N 0 3 309.435 1.199 20 10 DDCDHN CC[C@H](C)[C@H](NCc1ccc(N2CCOCC2)cc1)C(N)=O ZINC000931760188 714179241 /nfs/dbraw/zinc/17/92/41/714179241.db2.gz CVCSPHNWBHOGCK-BBRMVZONSA-N 0 3 305.422 1.513 20 10 DDCDHN CCN1CCC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000925290474 714794696 /nfs/dbraw/zinc/79/46/96/714794696.db2.gz CBBWXQFGNPADKX-AWEZNQCLSA-N 0 3 317.389 1.641 20 10 DDCDHN CN1CCC[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000925297612 714797896 /nfs/dbraw/zinc/79/78/96/714797896.db2.gz LBXAOLKXCRYPDF-CYBMUJFWSA-N 0 3 303.362 1.251 20 10 DDCDHN CC(C)(C)OC(=O)N1C[C@H](NCc2cccc(O)c2O)CC1=O ZINC001171694608 776437964 /nfs/dbraw/zinc/43/79/64/776437964.db2.gz QFCWYPXSBJLWFV-LLVKDONJSA-N 0 3 322.361 1.723 20 10 DDCDHN O=C1N(C2COC2)CC[C@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273284767 849334050 /nfs/dbraw/zinc/33/40/50/849334050.db2.gz LIFIRUAJOIKTTL-KRWDZBQOSA-N 0 3 320.364 1.355 20 10 DDCDHN O=C1N(C2COC2)CC[C@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273284767 849334058 /nfs/dbraw/zinc/33/40/58/849334058.db2.gz LIFIRUAJOIKTTL-KRWDZBQOSA-N 0 3 320.364 1.355 20 10 DDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CCN(C3COC3)C2=O)C1 ZINC001274304596 852142384 /nfs/dbraw/zinc/14/23/84/852142384.db2.gz VGILGTKOLLCPMF-GOSISDBHSA-N 0 3 316.401 1.524 20 10 DDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(CCN(C3COC3)C2=O)C1 ZINC001274304596 852142395 /nfs/dbraw/zinc/14/23/95/852142395.db2.gz VGILGTKOLLCPMF-GOSISDBHSA-N 0 3 316.401 1.524 20 10 DDCDHN COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001275267672 852940719 /nfs/dbraw/zinc/94/07/19/852940719.db2.gz VJFBIPQHGBGKFM-HOTGVXAUSA-N 0 3 306.406 1.661 20 10 DDCDHN COCCOCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001275267672 852940722 /nfs/dbraw/zinc/94/07/22/852940722.db2.gz VJFBIPQHGBGKFM-HOTGVXAUSA-N 0 3 306.406 1.661 20 10 DDCDHN O=c1cccc(CN2CC3(C2)CN(Cc2ccccc2O)C3)[nH]1 ZINC001275267396 852941108 /nfs/dbraw/zinc/94/11/08/852941108.db2.gz MZUIVBBVIPGIJL-UHFFFAOYSA-N 0 3 311.385 1.811 20 10 DDCDHN CN(Cc1ccccc1O)c1nnc([C@H]2CCCN(C)C2)n1C ZINC001338488932 870009429 /nfs/dbraw/zinc/00/94/29/870009429.db2.gz VRHRDEBYQDMEAI-AWEZNQCLSA-N 0 3 315.421 1.966 20 10 DDCDHN Nc1ccc(CNC(=O)NC[C@H]2NCCc3ccccc32)cc1 ZINC001338642755 870089616 /nfs/dbraw/zinc/08/96/16/870089616.db2.gz BBKKQGJPXNEPGQ-QGZVFWFLSA-N 0 3 310.401 1.955 20 10 DDCDHN Nc1ccc(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC001338747174 870146289 /nfs/dbraw/zinc/14/62/89/870146289.db2.gz RHXCQXLRFWCWMQ-INIZCTEOSA-N 0 3 318.421 1.321 20 10 DDCDHN O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]2C1 ZINC001204274636 871031894 /nfs/dbraw/zinc/03/18/94/871031894.db2.gz RNJJZIWUPOHKBC-ZSOGYDGISA-N 0 3 316.401 1.834 20 10 DDCDHN O=C(NC1CC1)[C@H]1C[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]2C1 ZINC001204274636 871031912 /nfs/dbraw/zinc/03/19/12/871031912.db2.gz RNJJZIWUPOHKBC-ZSOGYDGISA-N 0 3 316.401 1.834 20 10 DDCDHN COc1cc(C)c(C[NH+]2CCC(OCC(N)=O)CC2)c([O-])c1 ZINC001308577470 871513455 /nfs/dbraw/zinc/51/34/55/871513455.db2.gz KLXOQYVIVFJQJP-UHFFFAOYSA-N 0 3 308.378 1.176 20 10 DDCDHN C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc(F)ccc1[O-] ZINC000400192024 876498362 /nfs/dbraw/zinc/49/83/62/876498362.db2.gz MKBWLLOSNBSTBC-KOLCDFICSA-N 0 3 302.371 1.216 20 10 DDCDHN O=C([O-])c1ccc(CN2CCN(c3cc[nH+]cc3)CC2)c(O)c1 ZINC001231445641 885666297 /nfs/dbraw/zinc/66/62/97/885666297.db2.gz AEGVEILUNXAQKG-UHFFFAOYSA-N 0 3 313.357 1.808 20 10 DDCDHN COc1cc(CN2CCC[C@@]3(CCC(=O)O3)C2)c(O)cc1O ZINC001231638702 885775994 /nfs/dbraw/zinc/77/59/94/885775994.db2.gz DPIDEJKCZUIZQH-MRXNPFEDSA-N 0 3 307.346 1.778 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CCC[C@]2(CCNC2=O)C1 ZINC001231852657 885908687 /nfs/dbraw/zinc/90/86/87/885908687.db2.gz ZJYKJWJPSQISRJ-SFHVURJKSA-N 0 3 317.433 1.863 20 10 DDCDHN Oc1ccc(F)c(F)c1CN1CCN(C[C@H]2CCCO2)CC1 ZINC001233334696 886927346 /nfs/dbraw/zinc/92/73/46/886927346.db2.gz QFSVEGZHFVMSOB-GFCCVEGCSA-N 0 3 312.360 1.967 20 10 DDCDHN CCN1CCN(c2ccc(O[C@@H]3CCCOC3=O)cc2)CC1 ZINC001234657241 888173618 /nfs/dbraw/zinc/17/36/18/888173618.db2.gz CTSGJYOVRZPFID-MRXNPFEDSA-N 0 3 304.390 1.913 20 10 DDCDHN CCN(Cc1ccc(N2CCN(C)CC2)cc1F)C1CN(C)C1 ZINC001236941542 889435255 /nfs/dbraw/zinc/43/52/55/889435255.db2.gz BICGEUQAGYTQRZ-UHFFFAOYSA-N 0 3 320.456 1.713 20 10 DDCDHN O=S1(=O)CCN(c2ccc(CN3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC001237210166 889548919 /nfs/dbraw/zinc/54/89/19/889548919.db2.gz MQSIJSCQCPPHCH-DOTOQJQBSA-N 0 3 320.458 1.906 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3c(C)cccc3[O-])CC[C@H]21 ZINC001237487265 889666782 /nfs/dbraw/zinc/66/67/82/889666782.db2.gz XIUAWDKDDWVUPC-SJLPKXTDSA-N 0 3 318.417 1.912 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3c(C)cccc3[O-])CC[C@H]21 ZINC001237487265 889666784 /nfs/dbraw/zinc/66/67/84/889666784.db2.gz XIUAWDKDDWVUPC-SJLPKXTDSA-N 0 3 318.417 1.912 20 10 DDCDHN O=C(N1CC=CC1)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278256194 890288916 /nfs/dbraw/zinc/28/89/16/890288916.db2.gz DABBNLGTYUFDHK-CXAGYDPISA-N 0 3 302.349 1.752 20 10 DDCDHN O=C(N1CC=CC1)[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278256194 890288926 /nfs/dbraw/zinc/28/89/26/890288926.db2.gz DABBNLGTYUFDHK-CXAGYDPISA-N 0 3 302.349 1.752 20 10 DDCDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)[C@H]2C1 ZINC000272687240 130055033 /nfs/dbraw/zinc/05/50/33/130055033.db2.gz SZECGQBPTZBDIL-RDJPRVRMSA-N 0 3 302.374 1.664 20 10 DDCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000285604875 131185259 /nfs/dbraw/zinc/18/52/59/131185259.db2.gz WXLKWFVQCDIRME-CQSZACIVSA-N 0 3 324.446 1.747 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CCCN2CCOCC2)c1[O-] ZINC000076274239 406960878 /nfs/dbraw/zinc/96/08/78/406960878.db2.gz KDOUONNKBOKNCC-UHFFFAOYSA-N 0 3 314.813 1.866 20 10 DDCDHN O=C1CCCN1CCN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000109761615 407397446 /nfs/dbraw/zinc/39/74/46/407397446.db2.gz YMGYLCSWGVWNQU-MRXNPFEDSA-N 0 3 318.417 1.996 20 10 DDCDHN CNS(=O)(=O)CCN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000187181837 407828584 /nfs/dbraw/zinc/82/85/84/407828584.db2.gz GPBIGCJLFQIHGX-LLVKDONJSA-N 0 3 312.435 1.471 20 10 DDCDHN CN(C)CCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000176393522 408355189 /nfs/dbraw/zinc/35/51/89/408355189.db2.gz KJPKMAGBXYVVQG-UHFFFAOYSA-N 0 3 302.422 1.766 20 10 DDCDHN CCN1CCN(CCC(=O)NCc2cccc(OC)c2O)CC1 ZINC000264296946 408433309 /nfs/dbraw/zinc/43/33/09/408433309.db2.gz WFOAUWHPTSTICS-UHFFFAOYSA-N 0 3 321.421 1.045 20 10 DDCDHN COCCO[C@H]1C[C@H](CO)CN(Cc2ccc(N(C)C)cc2)C1 ZINC000278789576 409089381 /nfs/dbraw/zinc/08/93/81/409089381.db2.gz WMTXFNBXHQBXCP-WMZOPIPTSA-N 0 3 322.449 1.598 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000289665118 409283480 /nfs/dbraw/zinc/28/34/80/409283480.db2.gz NJGZDAIYFSSXLT-ZFWWWQNUSA-N 0 3 306.406 1.696 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000289665118 409283484 /nfs/dbraw/zinc/28/34/84/409283484.db2.gz NJGZDAIYFSSXLT-ZFWWWQNUSA-N 0 3 306.406 1.696 20 10 DDCDHN C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])NC(=O)NC1=O ZINC000289706231 409284775 /nfs/dbraw/zinc/28/47/75/409284775.db2.gz OSKDLFWWAHINAZ-BLLLJJGKSA-N 0 3 321.352 1.484 20 10 DDCDHN C[C@]1(C[C@@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])NC(=O)NC1=O ZINC000289706231 409284776 /nfs/dbraw/zinc/28/47/76/409284776.db2.gz OSKDLFWWAHINAZ-BLLLJJGKSA-N 0 3 321.352 1.484 20 10 DDCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)c1[O-] ZINC000295932476 409377410 /nfs/dbraw/zinc/37/74/10/409377410.db2.gz KVDILGQICQKSBN-GGZOMVNGSA-N 0 3 316.195 1.873 20 10 DDCDHN COc1c([O-])c(C[N@H+](C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000290373825 409380509 /nfs/dbraw/zinc/38/05/09/409380509.db2.gz HQGOSTSOZAGFEQ-UHFFFAOYSA-N 0 3 309.366 1.835 20 10 DDCDHN COc1c([O-])c(C[N@@H+](C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000290373825 409380513 /nfs/dbraw/zinc/38/05/13/409380513.db2.gz HQGOSTSOZAGFEQ-UHFFFAOYSA-N 0 3 309.366 1.835 20 10 DDCDHN CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296701455 409631842 /nfs/dbraw/zinc/63/18/42/409631842.db2.gz HRQXRCZKYCCSGR-DGCLKSJQSA-N 0 3 310.419 1.251 20 10 DDCDHN CCN(CC)c1ccc(CN2CCC[C@@](O)(C(N)=O)C2)cc1F ZINC000367488370 418605893 /nfs/dbraw/zinc/60/58/93/418605893.db2.gz AHHZRXYDSBIEKL-KRWDZBQOSA-N 0 3 323.412 1.484 20 10 DDCDHN CCOc1cccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c1[O-] ZINC000370259098 418742766 /nfs/dbraw/zinc/74/27/66/418742766.db2.gz BCTCIJICJIGEOV-BBRMVZONSA-N 0 3 304.390 1.938 20 10 DDCDHN COc1ccc(O)c(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000362048904 418745165 /nfs/dbraw/zinc/74/51/65/418745165.db2.gz XWMVZXZHFFJXHP-DOTOQJQBSA-N 0 3 306.406 1.432 20 10 DDCDHN OCCn1ncc2c1CCC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000361901139 418723744 /nfs/dbraw/zinc/72/37/44/418723744.db2.gz UHCWQHWWHNQOQB-INIZCTEOSA-N 0 3 313.401 1.978 20 10 DDCDHN COc1cc(O)c(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1OC ZINC000368959088 418727079 /nfs/dbraw/zinc/72/70/79/418727079.db2.gz RFZKJSVNEAULNK-PKWAYOAASA-N 0 3 320.389 1.495 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000368008118 288167570 /nfs/dbraw/zinc/16/75/70/288167570.db2.gz HXPMVPBRHIYXSJ-MLGOLLRUSA-N 0 3 303.362 1.469 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000368008118 288167571 /nfs/dbraw/zinc/16/75/71/288167571.db2.gz HXPMVPBRHIYXSJ-MLGOLLRUSA-N 0 3 303.362 1.469 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCCS(=O)(=O)NC(C)C)c1 ZINC000185970772 295168525 /nfs/dbraw/zinc/16/85/25/295168525.db2.gz IVCNCZVWDOQHSW-NSHDSACASA-N 0 3 316.423 1.379 20 10 DDCDHN COC1CCN(CCNC(=O)NCc2ccc(N)cc2)CC1 ZINC001120677399 782088194 /nfs/dbraw/zinc/08/81/94/782088194.db2.gz PWLGCWKPRQUEJN-UHFFFAOYSA-N 0 3 306.410 1.179 20 10 DDCDHN COc1cccc(CN[C@H]2CCN(c3ccn(C)n3)C2=O)c1O ZINC000360094070 337085266 /nfs/dbraw/zinc/08/52/66/337085266.db2.gz XSNXIFFPLLTXMW-LBPRGKRZSA-N 0 3 316.361 1.029 20 10 DDCDHN CN(C)c1ccc(CN[C@H]2CCN(c3ccn(C)n3)C2=O)cc1 ZINC000360094190 337085331 /nfs/dbraw/zinc/08/53/31/337085331.db2.gz YPLJLKBEOTUYHN-HNNXBMFYSA-N 0 3 313.405 1.381 20 10 DDCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000183326487 522928157 /nfs/dbraw/zinc/92/81/57/522928157.db2.gz RPUIQWDIJDIZOL-HUUCEWRRSA-N 0 3 314.389 1.972 20 10 DDCDHN COc1ccc(C[NH2+]Cc2ccccc2O)cc1-c1nnn[n-]1 ZINC000821818510 599423430 /nfs/dbraw/zinc/42/34/30/599423430.db2.gz UMKKLVHMFASMAB-UHFFFAOYSA-N 0 3 311.345 1.871 20 10 DDCDHN COc1ccc(N2CCN(C(=O)CN(C)CC3CC3)CC2)cc1 ZINC000052106341 696252062 /nfs/dbraw/zinc/25/20/62/696252062.db2.gz IWBJJPSVWCCGJE-UHFFFAOYSA-N 0 3 317.433 1.686 20 10 DDCDHN CCOc1cccc(CNCC(=O)NCc2ccco2)c1O ZINC000236922478 697801779 /nfs/dbraw/zinc/80/17/79/697801779.db2.gz KPVKSKMVSTYXPC-UHFFFAOYSA-N 0 3 304.346 1.790 20 10 DDCDHN CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccc2c(c1)CCO2 ZINC000776519927 698112531 /nfs/dbraw/zinc/11/25/31/698112531.db2.gz FQAPHDAWGXBKFO-QGZVFWFLSA-N 0 3 307.390 1.804 20 10 DDCDHN O=S1(=O)CCC(CC[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000779100796 698395782 /nfs/dbraw/zinc/39/57/82/698395782.db2.gz SJHBXTCRVJFVSV-UHFFFAOYSA-N 0 3 301.383 1.836 20 10 DDCDHN C[C@H]1C[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)c2c1c(F)ccc2[O-] ZINC000756404267 700619950 /nfs/dbraw/zinc/61/99/50/700619950.db2.gz SUILGGGPNICJMF-CMPLNLGQSA-N 0 3 322.380 1.951 20 10 DDCDHN C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cc(F)ccc1[O-] ZINC000756481493 700623572 /nfs/dbraw/zinc/62/35/72/700623572.db2.gz ANAYMQPUHNJXLV-JTQLQIEISA-N 0 3 318.414 1.900 20 10 DDCDHN CC[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC000761124543 700845493 /nfs/dbraw/zinc/84/54/93/700845493.db2.gz NFAHOLVLMGJRSM-DOTOQJQBSA-N 0 3 319.449 1.414 20 10 DDCDHN COc1cc(O)c(CN(C)[C@H](CO)COC(C)C)cc1OC ZINC000809768127 701688339 /nfs/dbraw/zinc/68/83/39/701688339.db2.gz CPBRMBZFKFCUSE-CYBMUJFWSA-N 0 3 313.394 1.627 20 10 DDCDHN CCOCCN1CCN(Cc2ccc(OCC)cc2O)CC1 ZINC000768243200 701165159 /nfs/dbraw/zinc/16/51/59/701165159.db2.gz JKBSHNNISDXALX-UHFFFAOYSA-N 0 3 308.422 1.945 20 10 DDCDHN COc1cccc(O)c1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000769326764 701241295 /nfs/dbraw/zinc/24/12/95/701241295.db2.gz HCPBFNNUXVRNCT-ZBFHGGJFSA-N 0 3 306.406 1.432 20 10 DDCDHN C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c2c1c(F)ccc2[O-] ZINC000810261573 701748820 /nfs/dbraw/zinc/74/88/20/701748820.db2.gz DWVUEBCLDNEZHA-GXSJLCMTSA-N 0 3 316.398 1.561 20 10 DDCDHN COc1c([O-])c(CN2CC[C@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841100106 702345571 /nfs/dbraw/zinc/34/55/71/702345571.db2.gz UVODBEPOLUEUPC-CMPLNLGQSA-N 0 3 309.366 1.726 20 10 DDCDHN Cc1cc(Cl)cc(CN(C)CC(=O)N2CCNCC2)c1O ZINC000843044544 702807213 /nfs/dbraw/zinc/80/72/13/702807213.db2.gz HTKCEZUIRYUNFU-UHFFFAOYSA-N 0 3 311.813 1.218 20 10 DDCDHN CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000866459188 706703771 /nfs/dbraw/zinc/70/37/71/706703771.db2.gz VEQXQOVCQYXHOV-JTQLQIEISA-N 0 3 320.842 1.944 20 10 DDCDHN CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000843428157 702879274 /nfs/dbraw/zinc/87/92/74/702879274.db2.gz PLCZNRWUTBDWCI-VXGBXAGGSA-N 0 3 316.195 1.967 20 10 DDCDHN CCOc1ccc(O)c(CN2C[C@@H](O)C[C@H](C(=O)OC)C2)c1 ZINC000843433773 702881015 /nfs/dbraw/zinc/88/10/15/702881015.db2.gz COKIDVYKNNDNNI-STQMWFEESA-N 0 3 309.362 1.147 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)c([O-])c1 ZINC000866520555 706720010 /nfs/dbraw/zinc/72/00/10/706720010.db2.gz GVBGJZUFSQAJNZ-LRDDRELGSA-N 0 3 306.362 1.572 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@H](N)CCSC)C2)cc1 ZINC000852843679 704144607 /nfs/dbraw/zinc/14/46/07/704144607.db2.gz DUIDLBOIWZPYOB-IUODEOHRSA-N 0 3 323.462 1.471 20 10 DDCDHN CCO[C@@H]1COC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000825196574 705622345 /nfs/dbraw/zinc/62/23/45/705622345.db2.gz JOGQISIXWGHSHR-NVXWUHKLSA-N 0 3 324.396 1.556 20 10 DDCDHN COc1cc(Cl)cc(CN(C)[C@@]2(CO)CCOC2)c1O ZINC000862426241 705715958 /nfs/dbraw/zinc/71/59/58/705715958.db2.gz AROOKZILJFYXFC-CQSZACIVSA-N 0 3 301.770 1.637 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+](C)[C@@]2(CO)CCOC2)c1[O-] ZINC000862426241 705715959 /nfs/dbraw/zinc/71/59/59/705715959.db2.gz AROOKZILJFYXFC-CQSZACIVSA-N 0 3 301.770 1.637 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@]2(CO)CCOC2)c1[O-] ZINC000862426241 705715960 /nfs/dbraw/zinc/71/59/60/705715960.db2.gz AROOKZILJFYXFC-CQSZACIVSA-N 0 3 301.770 1.637 20 10 DDCDHN CCOc1ccc(O)c(CN2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000826994469 705908542 /nfs/dbraw/zinc/90/85/42/705908542.db2.gz IELFSUXLHSQJBB-CYBMUJFWSA-N 0 3 306.362 1.817 20 10 DDCDHN CCOC(=O)[C@@H]1C[N@H+](Cc2c(C)cccc2[O-])CC12COC2 ZINC000877557052 706141402 /nfs/dbraw/zinc/14/14/02/706141402.db2.gz FCLRKKSQUHHAOY-AWEZNQCLSA-N 0 3 305.374 1.712 20 10 DDCDHN CCOC(=O)[C@@H]1C[N@@H+](Cc2c(C)cccc2[O-])CC12COC2 ZINC000877557052 706141405 /nfs/dbraw/zinc/14/14/05/706141405.db2.gz FCLRKKSQUHHAOY-AWEZNQCLSA-N 0 3 305.374 1.712 20 10 DDCDHN COc1cc(O)c(CN2CCCC[C@@H]2CNC(C)=O)cc1OC ZINC000877674670 706177038 /nfs/dbraw/zinc/17/70/38/706177038.db2.gz ONLSWLJCFADSQN-CQSZACIVSA-N 0 3 322.405 1.900 20 10 DDCDHN COc1cc(O)c(CN[C@H](C)[C@H](O)C(F)(F)F)cc1OC ZINC000877693255 706180774 /nfs/dbraw/zinc/18/07/74/706180774.db2.gz DGXCXNZGMLCBSM-KRTXAFLBSA-N 0 3 309.284 1.811 20 10 DDCDHN O=C(CNC[C@H]1CCCO1)NCc1c(O)ccc2c1CCCC2 ZINC000830597507 706541387 /nfs/dbraw/zinc/54/13/87/706541387.db2.gz MAIYXZBVGGQLHJ-CQSZACIVSA-N 0 3 318.417 1.656 20 10 DDCDHN COC1CCN(c2ccc(Cn3cc([C@@H](C)N)nn3)cc2)CC1 ZINC000881380947 707224498 /nfs/dbraw/zinc/22/44/98/707224498.db2.gz ZISRBFYZAVVOQV-CYBMUJFWSA-N 0 3 315.421 1.961 20 10 DDCDHN COCC[C@H](N)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000884305045 708235344 /nfs/dbraw/zinc/23/53/44/708235344.db2.gz KJYYXVRYMABUCF-CABCVRRESA-N 0 3 322.405 1.264 20 10 DDCDHN COCC[C@@H](N)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000884368981 708266953 /nfs/dbraw/zinc/26/69/53/708266953.db2.gz OPQWAHIHYZMKLC-CZUORRHYSA-N 0 3 321.421 1.002 20 10 DDCDHN CN(C)c1ccc([C@H](CNCc2csnn2)N(C)C)cc1 ZINC000898450334 708644139 /nfs/dbraw/zinc/64/41/39/708644139.db2.gz QGBVAYJBROLNOX-HNNXBMFYSA-N 0 3 305.451 1.997 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ncccn2)N(C)C)cc1 ZINC000891242267 710138796 /nfs/dbraw/zinc/13/87/96/710138796.db2.gz DLCMSMBEKJHRQP-HNNXBMFYSA-N 0 3 313.405 1.575 20 10 DDCDHN COc1ccc(CN2CCC[C@@H](OCCO)C2)c(O)c1OC ZINC000892003463 710350897 /nfs/dbraw/zinc/35/08/97/710350897.db2.gz ISGRELAMLZSYBX-CYBMUJFWSA-N 0 3 311.378 1.383 20 10 DDCDHN CC1(C)CNC(=O)[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000895322946 711483783 /nfs/dbraw/zinc/48/37/83/711483783.db2.gz XIUXHZZCPGWSOY-INIZCTEOSA-N 0 3 317.433 1.262 20 10 DDCDHN COc1ccc(CN2CC[C@@H](N3CCOC3=O)C2)c(O)c1OC ZINC000895345033 711490628 /nfs/dbraw/zinc/49/06/28/711490628.db2.gz UMBVPNIAVFFVRU-GFCCVEGCSA-N 0 3 322.361 1.436 20 10 DDCDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cn(C)cn2)C1 ZINC000932416357 714326096 /nfs/dbraw/zinc/32/60/96/714326096.db2.gz ONLQWMDNPWDFES-ROJDOSBLSA-N 0 3 310.401 1.953 20 10 DDCDHN COc1ccc(N2CC[C@@H](N[C@@H]3C(=O)NCC3(C)C)C2)cc1 ZINC000926679851 715111989 /nfs/dbraw/zinc/11/19/89/715111989.db2.gz HOUVSRWJHAIKDA-IUODEOHRSA-N 0 3 303.406 1.388 20 10 DDCDHN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1NCCF ZINC000939833730 716451542 /nfs/dbraw/zinc/45/15/42/716451542.db2.gz XSWKEPCFYCSSHU-ZWNOBZJWSA-N 0 3 321.356 1.869 20 10 DDCDHN CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253581 753896333 /nfs/dbraw/zinc/89/63/33/753896333.db2.gz HUUWXCRFYJQJPL-CHWSQXEVSA-N 0 3 319.365 1.034 20 10 DDCDHN CCNC(=O)COC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140056265 860566556 /nfs/dbraw/zinc/56/65/56/860566556.db2.gz OOVMSYDXRLQPQO-UHFFFAOYSA-N 0 3 310.369 1.648 20 10 DDCDHN CCN1CCN(c2ccc(CN3C[C@H]4C[C@@H](C3)O4)cc2)CC1 ZINC001140306561 860616727 /nfs/dbraw/zinc/61/67/27/860616727.db2.gz SXIHNQLHONTVFY-HDICACEKSA-N 0 3 301.434 1.802 20 10 DDCDHN Cc1c(O)ccc(CN2CCC[C@@H](NC(=O)C3CC3)C2)c1O ZINC001140749768 860691690 /nfs/dbraw/zinc/69/16/90/860691690.db2.gz MFGCQGDJVHZUBS-CQSZACIVSA-N 0 3 304.390 1.897 20 10 DDCDHN CC(=O)N(C)[C@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145584 860795452 /nfs/dbraw/zinc/79/54/52/860795452.db2.gz WOCHPKQOWBZWDC-HNNXBMFYSA-N 0 3 303.406 1.568 20 10 DDCDHN Cc1cnc(O[C@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C2)nc1 ZINC001204282679 871040240 /nfs/dbraw/zinc/04/02/40/871040240.db2.gz SJWDYGIFRBIEMS-AWEZNQCLSA-N 0 3 301.346 1.850 20 10 DDCDHN Cc1cnc(O[C@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C2)nc1 ZINC001204282679 871040259 /nfs/dbraw/zinc/04/02/59/871040259.db2.gz SJWDYGIFRBIEMS-AWEZNQCLSA-N 0 3 301.346 1.850 20 10 DDCDHN CCOc1ccc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001350588618 875771889 /nfs/dbraw/zinc/77/18/89/875771889.db2.gz IBNLDPOEBMSCFI-QGZVFWFLSA-N 0 3 317.433 1.828 20 10 DDCDHN CCOC(=O)[C@H]1CNCCN1Cc1cc(Cl)cc(C)c1O ZINC001222079672 880225834 /nfs/dbraw/zinc/22/58/34/880225834.db2.gz DXAJGVJVYLYFQJ-CYBMUJFWSA-N 0 3 312.797 1.691 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3CN(C)C[C@H]32)c([O-])c1 ZINC001277421196 884171204 /nfs/dbraw/zinc/17/12/04/884171204.db2.gz OVSFIRPRLMFBHU-DZGCQCFKSA-N 0 3 304.390 1.244 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3CN(C)C[C@H]32)c([O-])c1 ZINC001277421196 884171212 /nfs/dbraw/zinc/17/12/12/884171212.db2.gz OVSFIRPRLMFBHU-DZGCQCFKSA-N 0 3 304.390 1.244 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CCC(=O)N2CCC[C@H]2C1 ZINC001231857740 885911612 /nfs/dbraw/zinc/91/16/12/885911612.db2.gz OITONOBJVHXEGS-INIZCTEOSA-N 0 3 317.433 1.958 20 10 DDCDHN CN(C)c1ccc(CN2CCN(CC(C)(C)O)CC2)c(O)c1 ZINC001232841943 886629166 /nfs/dbraw/zinc/62/91/66/886629166.db2.gz VFFUEIKLOZBLCN-UHFFFAOYSA-N 0 3 307.438 1.347 20 10 DDCDHN COc1cc([O-])c(CN2CCN[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC001235060268 888383495 /nfs/dbraw/zinc/38/34/95/888383495.db2.gz GODCILNLSNQEJD-HNNXBMFYSA-N 0 3 311.813 1.192 20 10 DDCDHN COC(=O)[C@@H]1CNCCN1Cc1cccc(C(C)(C)C)c1O ZINC001236055726 889085462 /nfs/dbraw/zinc/08/54/62/889085462.db2.gz ZMONHDGFBRTAIK-AWEZNQCLSA-N 0 3 306.406 1.637 20 10 DDCDHN COc1cc(C)c(C[NH+]2CCC(NC(=O)N(C)C)CC2)c([O-])c1 ZINC001236816725 889371051 /nfs/dbraw/zinc/37/10/51/889371051.db2.gz VPVHDUCKHNQNKO-UHFFFAOYSA-N 0 3 321.421 1.945 20 10 DDCDHN CCOC(=O)Cn1ccc2c1ncnc2C1=CCCN(C)C1 ZINC001241566790 891204065 /nfs/dbraw/zinc/20/40/65/891204065.db2.gz DNFQSZLJNRPWFA-UHFFFAOYSA-N 0 3 300.362 1.713 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@@](C)(O)C2)c([O-])c1 ZINC001249171470 893848490 /nfs/dbraw/zinc/84/84/90/893848490.db2.gz BYRMBVBHHGNZHW-QGZVFWFLSA-N 0 3 307.390 1.845 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCCC[C@@](C)(O)C2)c([O-])c1 ZINC001249171470 893848502 /nfs/dbraw/zinc/84/85/02/893848502.db2.gz BYRMBVBHHGNZHW-QGZVFWFLSA-N 0 3 307.390 1.845 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC3(CN(C)C3)C2)c([O-])c1 ZINC001249214975 893870886 /nfs/dbraw/zinc/87/08/86/893870886.db2.gz UEBJWHXMJCAFOB-UHFFFAOYSA-N 0 3 304.390 1.245 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC3(CN(C)C3)C2)c([O-])c1 ZINC001249214975 893870909 /nfs/dbraw/zinc/87/09/09/893870909.db2.gz UEBJWHXMJCAFOB-UHFFFAOYSA-N 0 3 304.390 1.245 20 10 DDCDHN CC1(C)C=Cc2c(O)c(CN3CCOC[C@@H](O)C3)ccc2O1 ZINC001249223784 893878061 /nfs/dbraw/zinc/87/80/61/893878061.db2.gz MIWVSGVGSPALIB-ZDUSSCGKSA-N 0 3 305.374 1.770 20 10 DDCDHN COCCN(CCN(C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000104771844 194036734 /nfs/dbraw/zinc/03/67/34/194036734.db2.gz SSKJWTGAZLOCCA-UHFFFAOYSA-N 0 3 322.453 1.472 20 10 DDCDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272284755 130015663 /nfs/dbraw/zinc/01/56/63/130015663.db2.gz NHQPUZYHKCPMDN-QWHCGFSZSA-N 0 3 324.396 1.894 20 10 DDCDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272284755 130015667 /nfs/dbraw/zinc/01/56/67/130015667.db2.gz NHQPUZYHKCPMDN-QWHCGFSZSA-N 0 3 324.396 1.894 20 10 DDCDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000271352532 407648808 /nfs/dbraw/zinc/64/88/08/407648808.db2.gz LQWVAOBRVBTDPT-ZFWWWQNUSA-N 0 3 306.406 1.755 20 10 DDCDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000271352532 407648811 /nfs/dbraw/zinc/64/88/11/407648811.db2.gz LQWVAOBRVBTDPT-ZFWWWQNUSA-N 0 3 306.406 1.755 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)c([O-])c1C ZINC000273553378 408243341 /nfs/dbraw/zinc/24/33/41/408243341.db2.gz GJIUTIYIBNNAOR-GOEBONIOSA-N 0 3 319.449 1.999 20 10 DDCDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)N ZINC000121491198 408223633 /nfs/dbraw/zinc/22/36/33/408223633.db2.gz OCFWPAJSQAWJSU-QMMMGPOBSA-N 0 3 301.184 1.850 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CNCCO2)cc1 ZINC000269248846 408234541 /nfs/dbraw/zinc/23/45/41/408234541.db2.gz NTHBUFGGBMTTDF-MRXNPFEDSA-N 0 3 305.422 1.528 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c1 ZINC000185343896 408798045 /nfs/dbraw/zinc/79/80/45/408798045.db2.gz ONCYAMLRDRDINZ-CABCVRRESA-N 0 3 321.465 1.935 20 10 DDCDHN C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1cc2c(cc1[O-])CCCC2 ZINC000185203268 408780104 /nfs/dbraw/zinc/78/01/04/408780104.db2.gz QHPVRHFOYFAXIE-NSHDSACASA-N 0 3 317.389 1.473 20 10 DDCDHN C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccccc1[O-] ZINC000285705379 408847177 /nfs/dbraw/zinc/84/71/77/408847177.db2.gz PFCQKVODMOHJIF-QWHCGFSZSA-N 0 3 324.446 1.999 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1[O-] ZINC000280888601 408853552 /nfs/dbraw/zinc/85/35/52/408853552.db2.gz OXAWDAVULJJCLO-JQWIXIFHSA-N 0 3 315.797 1.789 20 10 DDCDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000277032841 408905050 /nfs/dbraw/zinc/90/50/50/408905050.db2.gz SGXHXJAQMPGUJT-DLBZAZTESA-N 0 3 319.449 1.916 20 10 DDCDHN O=S1(=O)CCCN1C1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000377941530 418717756 /nfs/dbraw/zinc/71/77/56/418717756.db2.gz AJSZGSKDEVRBNZ-UHFFFAOYSA-N 0 3 324.446 1.829 20 10 DDCDHN CC[C@@H](c1ccccc1O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000369927584 418739194 /nfs/dbraw/zinc/73/91/94/418739194.db2.gz ARYMDCAGVQTGPQ-KBPBESRZSA-N 0 3 317.389 1.812 20 10 DDCDHN COc1cccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000371326175 418779661 /nfs/dbraw/zinc/77/96/61/418779661.db2.gz HYRVYFWQGRPMKS-GJZGRUSLSA-N 0 3 306.406 1.432 20 10 DDCDHN CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](CC)c2ccccc2[O-])C1 ZINC000368796860 418725380 /nfs/dbraw/zinc/72/53/80/418725380.db2.gz LHMSXLUWLQKXNU-GXTWGEPZSA-N 0 3 312.435 1.857 20 10 DDCDHN CCNS(=O)(=O)[C@H]1CC[N@H+]([C@H](CC)c2ccccc2[O-])C1 ZINC000368796860 418725383 /nfs/dbraw/zinc/72/53/83/418725383.db2.gz LHMSXLUWLQKXNU-GXTWGEPZSA-N 0 3 312.435 1.857 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)c1[O-] ZINC000365654544 274095316 /nfs/dbraw/zinc/09/53/16/274095316.db2.gz RHPPZTMMHUFDHX-JQWIXIFHSA-N 0 3 310.781 1.622 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)c1[O-] ZINC000365654544 274095320 /nfs/dbraw/zinc/09/53/20/274095320.db2.gz RHPPZTMMHUFDHX-JQWIXIFHSA-N 0 3 310.781 1.622 20 10 DDCDHN CCOCC(C)(C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000298096449 279676114 /nfs/dbraw/zinc/67/61/14/279676114.db2.gz INHSEPFTISBSJE-UHFFFAOYSA-N 0 3 307.438 1.774 20 10 DDCDHN O=C(C1CC[NH+](Cc2cc(F)ccc2[O-])CC1)N1CCOCC1 ZINC000179887017 526304098 /nfs/dbraw/zinc/30/40/98/526304098.db2.gz ISWBVLATMSXARZ-UHFFFAOYSA-N 0 3 322.380 1.602 20 10 DDCDHN CN(C)c1ccc(CNC(=O)N2CCCN(C)CC2)cc1F ZINC000746976094 700049025 /nfs/dbraw/zinc/04/90/25/700049025.db2.gz WYWGQOMLCNSVPT-UHFFFAOYSA-N 0 3 308.401 1.739 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@@H](N)CCSC)CC2)cc1 ZINC000011805376 696047560 /nfs/dbraw/zinc/04/75/60/696047560.db2.gz SYNRIMXZRUUKGE-HNNXBMFYSA-N 0 3 323.462 1.424 20 10 DDCDHN C[C@@H](N[C@H]1CCN(C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000116390087 696667847 /nfs/dbraw/zinc/66/78/47/696667847.db2.gz IQZRPMKCUPUCIS-CJNGLKHVSA-N 0 3 303.406 1.405 20 10 DDCDHN CC(C)NS(=O)(=O)CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000180471267 697449070 /nfs/dbraw/zinc/44/90/70/697449070.db2.gz KWUCQMLPEDOAOI-ZDUSSCGKSA-N 0 3 313.467 1.731 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cc(C)no2)c1 ZINC000182319513 697473647 /nfs/dbraw/zinc/47/36/47/697473647.db2.gz JCJXNWOURKMJQF-JTQLQIEISA-N 0 3 305.334 1.987 20 10 DDCDHN COc1cc(C)cc(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1O ZINC000188849574 697565571 /nfs/dbraw/zinc/56/55/71/697565571.db2.gz SNOGFIBEHIXVQE-AWEZNQCLSA-N 0 3 322.449 1.986 20 10 DDCDHN CN1CCC(O)(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000776214902 698082157 /nfs/dbraw/zinc/08/21/57/698082157.db2.gz TXBNOZDDOPHLEU-UHFFFAOYSA-N 0 3 302.777 1.731 20 10 DDCDHN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CN2CCC1CC2 ZINC000779515812 698429470 /nfs/dbraw/zinc/42/94/70/698429470.db2.gz CEBPNIVVVVKHCG-LYKUJDHUSA-N 0 3 302.374 1.664 20 10 DDCDHN OC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000305199972 698640643 /nfs/dbraw/zinc/64/06/43/698640643.db2.gz MKCCXXCQJHWKRT-OAHLLOKOSA-N 0 3 308.397 1.867 20 10 DDCDHN COc1ccc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c([O-])c1 ZINC000740900408 699805859 /nfs/dbraw/zinc/80/58/59/699805859.db2.gz OUYKZTYEQIMHEJ-GXTWGEPZSA-N 0 3 313.419 1.846 20 10 DDCDHN COC[C@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000752088611 700342789 /nfs/dbraw/zinc/34/27/89/700342789.db2.gz MLQQIEAYWPULII-QGZVFWFLSA-N 0 3 319.449 1.822 20 10 DDCDHN COC(=O)[C@H]1CSCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000840976343 702299045 /nfs/dbraw/zinc/29/90/45/702299045.db2.gz DOJXVTTUMDFRPA-LLVKDONJSA-N 0 3 311.403 1.739 20 10 DDCDHN COC(=O)[C@H]1CSCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000840976343 702299049 /nfs/dbraw/zinc/29/90/49/702299049.db2.gz DOJXVTTUMDFRPA-LLVKDONJSA-N 0 3 311.403 1.739 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CCCCC[C@@H]2CO)cc1 ZINC000847018805 703366522 /nfs/dbraw/zinc/36/65/22/703366522.db2.gz ZNPXAJFXADYJKW-QGZVFWFLSA-N 0 3 319.449 1.606 20 10 DDCDHN CCc1cccc(CN2CCC(NS(C)(=O)=O)CC2)c1O ZINC000848882254 703597621 /nfs/dbraw/zinc/59/76/21/703597621.db2.gz ZFJZFERUQXLKMH-UHFFFAOYSA-N 0 3 312.435 1.468 20 10 DDCDHN COC[C@@H](C)NC(=[NH2+])NCc1cc(Br)ccc1[O-] ZINC000849027892 703612629 /nfs/dbraw/zinc/61/26/29/703612629.db2.gz PDIYICBTHDUFOO-MRVPVSSYSA-N 0 3 316.199 1.804 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2C[C@@H]3COC[C@@]3(C)C2)cc1 ZINC000852534114 704070127 /nfs/dbraw/zinc/07/01/27/704070127.db2.gz GZNTWCURHKRTPO-CRAIPNDOSA-N 0 3 317.433 1.337 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@H](N)CC(F)F)C2)cc1 ZINC000852844030 704145136 /nfs/dbraw/zinc/14/51/36/704145136.db2.gz NNFFCPCMDBIMDQ-GXFFZTMASA-N 0 3 313.348 1.373 20 10 DDCDHN C[C@H]1COCCN1CCNCc1cc(F)c(N(C)C)cc1F ZINC000858125842 704668699 /nfs/dbraw/zinc/66/86/99/704668699.db2.gz MUNNSBXCOJGHNE-LBPRGKRZSA-N 0 3 313.392 1.841 20 10 DDCDHN C[C@@H]1[C@H](NC/C=C\c2ccc(N(C)C)cc2)CCS1(=O)=O ZINC000858281548 704689166 /nfs/dbraw/zinc/68/91/66/704689166.db2.gz UBMOHZUUBUFHNA-WSXGPOFGSA-N 0 3 308.447 1.931 20 10 DDCDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875370323 705366922 /nfs/dbraw/zinc/36/69/22/705366922.db2.gz CRIHPKSSIUYJBT-ABAIWWIYSA-N 0 3 301.390 1.900 20 10 DDCDHN Cn1ncc(CN)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000876741404 705852039 /nfs/dbraw/zinc/85/20/39/705852039.db2.gz UITKWJFIDNDMNR-UHFFFAOYSA-N 0 3 313.405 1.191 20 10 DDCDHN COc1cccc(C[N@H+](CCN2CCOCC2)CC2CC2)c1[O-] ZINC000827515789 706017940 /nfs/dbraw/zinc/01/79/40/706017940.db2.gz PYEHQZDKQKPUDU-UHFFFAOYSA-N 0 3 320.433 1.945 20 10 DDCDHN COc1cccc(C[N@@H+](CCN2CCOCC2)CC2CC2)c1[O-] ZINC000827515789 706017942 /nfs/dbraw/zinc/01/79/42/706017942.db2.gz PYEHQZDKQKPUDU-UHFFFAOYSA-N 0 3 320.433 1.945 20 10 DDCDHN Cc1ccc(C[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)c(O)c1 ZINC000898150390 708557637 /nfs/dbraw/zinc/55/76/37/708557637.db2.gz VULIECPSYKJYOB-ZDUSSCGKSA-N 0 3 300.362 1.565 20 10 DDCDHN Cc1cc(O)c(C[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1C ZINC000898154827 708559293 /nfs/dbraw/zinc/55/92/93/708559293.db2.gz IXMCMEWBEVBNNT-AWEZNQCLSA-N 0 3 314.389 1.873 20 10 DDCDHN CCOc1ccc(O)c(CNCc2cnc3n2CCOC3)c1 ZINC000898270111 708593465 /nfs/dbraw/zinc/59/34/65/708593465.db2.gz GEOTYIQQFZFSHZ-UHFFFAOYSA-N 0 3 303.362 1.807 20 10 DDCDHN C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1c([O-])cccc1F ZINC000886524906 708773126 /nfs/dbraw/zinc/77/31/26/708773126.db2.gz TXYYIIWEINGXMN-OLZOCXBDSA-N 0 3 323.412 1.769 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccn[nH]2)N(C)C)cc1 ZINC000891251654 710141918 /nfs/dbraw/zinc/14/19/18/710141918.db2.gz CZQWGUFQOPIOEO-OAHLLOKOSA-N 0 3 301.394 1.508 20 10 DDCDHN Nc1ccc(CCNC(=O)NC[C@@H]2Cc3ccccc3CN2)cc1 ZINC000892038945 710358207 /nfs/dbraw/zinc/35/82/07/710358207.db2.gz LMAGFBHFBCBJTG-SFHVURJKSA-N 0 3 324.428 1.825 20 10 DDCDHN COc1cc(C)cc(CN2CCN(CCCCO)CC2)c1O ZINC000894019721 710930471 /nfs/dbraw/zinc/93/04/71/710930471.db2.gz BIJHFTXFRCHISI-UHFFFAOYSA-N 0 3 308.422 1.599 20 10 DDCDHN CC[C@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000903366394 711105364 /nfs/dbraw/zinc/10/53/64/711105364.db2.gz UPBLCKNWNOEDPK-DZGCQCFKSA-N 0 3 313.419 1.637 20 10 DDCDHN COc1cc(C)cc(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1O ZINC000894608298 711211369 /nfs/dbraw/zinc/21/13/69/711211369.db2.gz HDZXOECTKBXVQT-ZIAGYGMSSA-N 0 3 308.422 1.596 20 10 DDCDHN COC(=O)NC1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000895479617 711523057 /nfs/dbraw/zinc/52/30/57/711523057.db2.gz IWSCNUWADJQQQK-UHFFFAOYSA-N 0 3 324.377 1.730 20 10 DDCDHN CCN(CC)c1ccc(CN2CC[C@@](O)(C(=O)OC)C2)cc1 ZINC000895706543 711583785 /nfs/dbraw/zinc/58/37/85/711583785.db2.gz GGIMTJPCKXHURH-KRWDZBQOSA-N 0 3 306.406 1.643 20 10 DDCDHN COc1cc(CN2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(O)cc1C ZINC000904437693 711858225 /nfs/dbraw/zinc/85/82/25/711858225.db2.gz SYBCEDBAFCYFBJ-BETUJISGSA-N 0 3 311.403 1.186 20 10 DDCDHN CN(C)c1ccc(/C=C/C(=O)NC2(CO)CCN(C)CC2)cc1 ZINC001180130707 779616815 /nfs/dbraw/zinc/61/68/15/779616815.db2.gz WZWGUVGUBPHQEC-RMKNXTFCSA-N 0 3 317.433 1.339 20 10 DDCDHN O=C(Cc1ccc(O)c(O)c1)N1CC2(CCN2C2CCCC2)C1 ZINC001270580673 842687594 /nfs/dbraw/zinc/68/75/94/842687594.db2.gz WJHOAXGTKMIROT-UHFFFAOYSA-N 0 3 316.401 1.870 20 10 DDCDHN Cc1ccc(C[N@@H+]2CC[C@]3(CCN(C4COC4)C3=O)C2)c([O-])c1 ZINC001272766625 847399563 /nfs/dbraw/zinc/39/95/63/847399563.db2.gz SDZLFQBDFQLHIK-SFHVURJKSA-N 0 3 316.401 1.524 20 10 DDCDHN Cc1ccc(C[N@H+]2CC[C@]3(CCN(C4COC4)C3=O)C2)c([O-])c1 ZINC001272766625 847399571 /nfs/dbraw/zinc/39/95/71/847399571.db2.gz SDZLFQBDFQLHIK-SFHVURJKSA-N 0 3 316.401 1.524 20 10 DDCDHN COc1cc(O)c(CN2CCC[C@H](n3cncn3)C2)c(OC)c1 ZINC001141029145 860766439 /nfs/dbraw/zinc/76/64/39/860766439.db2.gz KAKNKYOFNNIWIM-LBPRGKRZSA-N 0 3 318.377 1.838 20 10 DDCDHN COc1ccc(N2CCN(C)C[C@@]3(CCCC(=O)N3)C2)c(C)c1 ZINC001277019040 881678502 /nfs/dbraw/zinc/67/85/02/881678502.db2.gz TYPBNGCOWJXSQX-SFHVURJKSA-N 0 3 317.433 1.794 20 10 DDCDHN CC[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)NC ZINC001324677798 867448814 /nfs/dbraw/zinc/44/88/14/867448814.db2.gz YXTCXEBEDRPWIK-OAHLLOKOSA-N 0 3 322.428 1.192 20 10 DDCDHN C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]2C1 ZINC001336970874 869240100 /nfs/dbraw/zinc/24/01/00/869240100.db2.gz JQEGDSDATMVALM-YNEHKIRRSA-N 0 3 304.390 1.900 20 10 DDCDHN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])O1 ZINC001203552099 870636445 /nfs/dbraw/zinc/63/64/45/870636445.db2.gz AIMUNULEMUNYLB-OIISXLGYSA-N 0 3 316.401 1.650 20 10 DDCDHN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])O1 ZINC001203552099 870636451 /nfs/dbraw/zinc/63/64/51/870636451.db2.gz AIMUNULEMUNYLB-OIISXLGYSA-N 0 3 316.401 1.650 20 10 DDCDHN COc1cc(CN2C[C@@H](F)[C@@H](N)C2)c(O)cc1Br ZINC001204836532 871253479 /nfs/dbraw/zinc/25/34/79/871253479.db2.gz HDNBVDSQUPSZNL-ZJUUUORDSA-N 0 3 319.174 1.644 20 10 DDCDHN CN(C)CCN(C(=O)c1ccnc2c1CCN2)c1ccccc1 ZINC001341585935 871724157 /nfs/dbraw/zinc/72/41/57/871724157.db2.gz OVJCQGSTDXEWEL-UHFFFAOYSA-N 0 3 310.401 1.797 20 10 DDCDHN O=C(N1CCCCO1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277197300 882959634 /nfs/dbraw/zinc/95/96/34/882959634.db2.gz ZFBNMSIHYVQIDM-CXAGYDPISA-N 0 3 318.373 1.474 20 10 DDCDHN O=C(N1CCCCO1)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277197300 882959643 /nfs/dbraw/zinc/95/96/43/882959643.db2.gz ZFBNMSIHYVQIDM-CXAGYDPISA-N 0 3 318.373 1.474 20 10 DDCDHN [NH3+][C@@H]1CCOC2(CC(C(=O)NCc3c([O-])cccc3F)C2)C1 ZINC001354863984 878284299 /nfs/dbraw/zinc/28/42/99/878284299.db2.gz ASLZGKBMQXONAY-NOEPWBJOSA-N 0 3 308.353 1.434 20 10 DDCDHN O=C1COC[C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CCN12 ZINC001231591121 885751833 /nfs/dbraw/zinc/75/18/33/885751833.db2.gz UQXIGWGVDZQHBY-AWEZNQCLSA-N 0 3 312.369 1.588 20 10 DDCDHN O=C1COC[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CCN12 ZINC001231591121 885751841 /nfs/dbraw/zinc/75/18/41/885751841.db2.gz UQXIGWGVDZQHBY-AWEZNQCLSA-N 0 3 312.369 1.588 20 10 DDCDHN O=C1COC[C@@H]2CN(Cc3c(O)ccc4ccccc43)CCN12 ZINC001231591121 885751851 /nfs/dbraw/zinc/75/18/51/885751851.db2.gz UQXIGWGVDZQHBY-AWEZNQCLSA-N 0 3 312.369 1.588 20 10 DDCDHN COC(=O)c1c(CN2CCN3CC[C@@H]3C2)c2ccccc2n1C ZINC001232410240 886341602 /nfs/dbraw/zinc/34/16/02/886341602.db2.gz KOMRAVSCQFCPGG-CYBMUJFWSA-N 0 3 313.401 1.855 20 10 DDCDHN CC(=O)N1CCC2(CN(Cc3ccc(N(C)C)cc3O)C2)C1 ZINC001232838571 886627389 /nfs/dbraw/zinc/62/73/89/886627389.db2.gz SEADXICTIOIZGD-UHFFFAOYSA-N 0 3 303.406 1.512 20 10 DDCDHN COCCN1CCC(Oc2nc[nH]c3cc(=O)c(O)cc2-3)CC1 ZINC001233948726 887490940 /nfs/dbraw/zinc/49/09/40/887490940.db2.gz KDAHOWLSKFHREJ-UHFFFAOYSA-N 0 3 319.361 1.531 20 10 DDCDHN Cc1cc(F)cc(C[NH+]2CCC3(CC2)CC(=O)NC(=O)C3)c1[O-] ZINC001238071503 890013802 /nfs/dbraw/zinc/01/38/02/890013802.db2.gz YOICLRISUBHWTM-UHFFFAOYSA-N 0 3 320.364 1.859 20 10 DDCDHN CCNC(=O)CO[C@@H]1CCCN(Cc2cc(F)cc(C)c2O)C1 ZINC001238070797 890014065 /nfs/dbraw/zinc/01/40/65/890014065.db2.gz PHGRZXQFWUOHEM-OAHLLOKOSA-N 0 3 324.396 1.957 20 10 DDCDHN CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249216660 893871031 /nfs/dbraw/zinc/87/10/31/893871031.db2.gz GRXQWAGGXAVWEQ-AWEZNQCLSA-N 0 3 320.389 1.208 20 10 DDCDHN CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249216660 893871050 /nfs/dbraw/zinc/87/10/50/893871050.db2.gz GRXQWAGGXAVWEQ-AWEZNQCLSA-N 0 3 320.389 1.208 20 10 DDCDHN CCNC(=O)[C@@H]1CCCN1Cc1ccc(CC(=O)OC)cc1O ZINC001249216660 893871068 /nfs/dbraw/zinc/87/10/68/893871068.db2.gz GRXQWAGGXAVWEQ-AWEZNQCLSA-N 0 3 320.389 1.208 20 10 DDCDHN C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001256342583 897389586 /nfs/dbraw/zinc/38/95/86/897389586.db2.gz HRIQGPDWUVRFCJ-ZDUSSCGKSA-N 0 3 304.390 1.388 20 10 DDCDHN C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCc2cccc([O-])c2C1 ZINC001256342583 897389602 /nfs/dbraw/zinc/38/96/02/897389602.db2.gz HRIQGPDWUVRFCJ-ZDUSSCGKSA-N 0 3 304.390 1.388 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000082320333 185175827 /nfs/dbraw/zinc/17/58/27/185175827.db2.gz BUXUUWFXDQWUOR-INIZCTEOSA-N 0 3 303.406 1.438 20 10 DDCDHN CCNS(=O)(=O)[C@H]1CCN(Cc2cc(C)c(C)cc2O)C1 ZINC000092304258 193186997 /nfs/dbraw/zinc/18/69/97/193186997.db2.gz VPRHNSVEHUEPEY-AWEZNQCLSA-N 0 3 312.435 1.523 20 10 DDCDHN COc1cccc(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)c1O ZINC000273028434 130084124 /nfs/dbraw/zinc/08/41/24/130084124.db2.gz UQFVTZUJHFUZKU-LBPRGKRZSA-N 0 3 319.405 1.850 20 10 DDCDHN CN1CCN(C(=O)CC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000297495400 132019462 /nfs/dbraw/zinc/01/94/62/132019462.db2.gz BPESCMOKVYAIIN-CQSZACIVSA-N 0 3 303.406 1.133 20 10 DDCDHN CNC(=O)C[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000298692217 132074230 /nfs/dbraw/zinc/07/42/30/132074230.db2.gz LRBYOIWYNUWONR-GFCCVEGCSA-N 0 3 309.385 1.277 20 10 DDCDHN CCCN(CC)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000299385515 132102092 /nfs/dbraw/zinc/10/20/92/132102092.db2.gz PJZMINYDPQYZSW-UHFFFAOYSA-N 0 3 306.366 1.844 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000366486419 286339285 /nfs/dbraw/zinc/33/92/85/286339285.db2.gz XNLKQSBLZPCHKX-UFGOTCBOSA-N 0 3 304.346 1.056 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000366486419 286339288 /nfs/dbraw/zinc/33/92/88/286339288.db2.gz XNLKQSBLZPCHKX-UFGOTCBOSA-N 0 3 304.346 1.056 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CCOCCS(C)(=O)=O)c([O-])c1 ZINC000186077912 407569437 /nfs/dbraw/zinc/56/94/37/407569437.db2.gz TUBGYMRQEBFWSM-GFCCVEGCSA-N 0 3 301.408 1.412 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000271782027 407730402 /nfs/dbraw/zinc/73/04/02/407730402.db2.gz DXXBKLAIGGTPIN-CRAIPNDOSA-N 0 3 317.385 1.975 20 10 DDCDHN COC(=O)CCCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000116345811 407746156 /nfs/dbraw/zinc/74/61/56/407746156.db2.gz CGWNIGTUGJWVPO-UHFFFAOYSA-N 0 3 306.406 1.908 20 10 DDCDHN CC(C)[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000269228030 408232551 /nfs/dbraw/zinc/23/25/51/408232551.db2.gz BAXOPVCHFLXSNF-OAHLLOKOSA-N 0 3 309.385 1.262 20 10 DDCDHN CN1CCCc2cc(CNC(=O)C[C@H]3CNCCO3)ccc21 ZINC000269253879 408233280 /nfs/dbraw/zinc/23/32/80/408233280.db2.gz QSZHZJIZZKKWKT-HNNXBMFYSA-N 0 3 303.406 1.064 20 10 DDCDHN O=C(CNC[C@H]1CCCO1)NCc1ccc(N2CCCC2)cc1 ZINC000269239315 408234020 /nfs/dbraw/zinc/23/40/20/408234020.db2.gz IKXJJWUCXOMBMR-QGZVFWFLSA-N 0 3 317.433 1.672 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+]CC1(N3CCOCC3)CC1)OCO2 ZINC000277537230 408960404 /nfs/dbraw/zinc/96/04/04/408960404.db2.gz VWGCENRJCPFGCP-UHFFFAOYSA-N 0 3 306.362 1.075 20 10 DDCDHN CCCCN(CC(=O)N1CCOCC1)Cc1ccccc1O ZINC000282377201 409043212 /nfs/dbraw/zinc/04/32/12/409043212.db2.gz FPMKOTKUKPFTCI-UHFFFAOYSA-N 0 3 306.406 1.853 20 10 DDCDHN CN(C)c1ccc(CN2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000292903134 409044778 /nfs/dbraw/zinc/04/47/78/409044778.db2.gz GRYITHLSNBGQLQ-KRWDZBQOSA-N 0 3 315.421 1.674 20 10 DDCDHN C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])NC(=O)NC1=O ZINC000289706242 409284788 /nfs/dbraw/zinc/28/47/88/409284788.db2.gz OSKDLFWWAHINAZ-MLGOLLRUSA-N 0 3 321.352 1.484 20 10 DDCDHN C[C@]1(C[C@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])NC(=O)NC1=O ZINC000289706242 409284789 /nfs/dbraw/zinc/28/47/89/409284789.db2.gz OSKDLFWWAHINAZ-MLGOLLRUSA-N 0 3 321.352 1.484 20 10 DDCDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000280360602 409299531 /nfs/dbraw/zinc/29/95/31/409299531.db2.gz VJAMKNDOWYFGHJ-FZMZJTMJSA-N 0 3 304.390 1.772 20 10 DDCDHN Cc1cccc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1[O-] ZINC000361027513 418568996 /nfs/dbraw/zinc/56/89/96/418568996.db2.gz FISJZXBSGWPCSS-KRWDZBQOSA-N 0 3 317.389 1.511 20 10 DDCDHN CCN(CC)c1ccc(CN2CCC[C@](O)(C(N)=O)C2)cc1F ZINC000367488371 418606140 /nfs/dbraw/zinc/60/61/40/418606140.db2.gz AHHZRXYDSBIEKL-QGZVFWFLSA-N 0 3 323.412 1.484 20 10 DDCDHN C[C@@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1cc(F)ccc1[O-] ZINC000370373934 418744041 /nfs/dbraw/zinc/74/40/41/418744041.db2.gz IVGFSHSPWGHHRL-SNVBAGLBSA-N 0 3 320.372 1.374 20 10 DDCDHN CCCOc1ccc(CN2CCN(C[C@H](C)O)CC2)c(O)c1 ZINC000189838562 520347443 /nfs/dbraw/zinc/34/74/43/520347443.db2.gz BAGYBHICTDAKJB-AWEZNQCLSA-N 0 3 308.422 1.679 20 10 DDCDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1cc2c(cc1O)OCO2 ZINC000188846282 524586419 /nfs/dbraw/zinc/58/64/19/524586419.db2.gz YVVLAQSBVZJJSQ-LBPRGKRZSA-N 0 3 322.405 1.398 20 10 DDCDHN Cn1cc(N2CCN(Cc3cc4c(cc3O)CCC4)CC2)cn1 ZINC000074721998 696415958 /nfs/dbraw/zinc/41/59/58/696415958.db2.gz YLRLEGQGKGHILX-UHFFFAOYSA-N 0 3 312.417 1.937 20 10 DDCDHN O=S1(=O)CCC[C@@H]1CNCc1ccc(N2CCOCC2)cc1 ZINC000126788744 696765395 /nfs/dbraw/zinc/76/53/95/696765395.db2.gz XHQGNRPFNGWKDX-MRXNPFEDSA-N 0 3 324.446 1.190 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NC2CCOCC2)c1 ZINC000182434282 697475132 /nfs/dbraw/zinc/47/51/32/697475132.db2.gz VOEWOGLDDFYZJM-NSHDSACASA-N 0 3 308.378 1.347 20 10 DDCDHN CCNS(=O)(=O)CCN[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000772977814 697700013 /nfs/dbraw/zinc/70/00/13/697700013.db2.gz JXMHWZBYCKHYJZ-ZDUSSCGKSA-N 0 3 313.467 1.733 20 10 DDCDHN CC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccccc1[O-] ZINC000775491961 698003934 /nfs/dbraw/zinc/00/39/34/698003934.db2.gz JLDRGJVXBZFYEB-ZDUSSCGKSA-N 0 3 300.424 1.714 20 10 DDCDHN COc1cc(O)c(CNCC(=O)NCc2ccco2)cc1OC ZINC000775927492 698052704 /nfs/dbraw/zinc/05/27/04/698052704.db2.gz FIYUSHVDXGSJRH-UHFFFAOYSA-N 0 3 320.345 1.408 20 10 DDCDHN COCCN(Cc1cc(OC)c(OC)cc1O)[C@@H]1CCOC1 ZINC000782960570 698789110 /nfs/dbraw/zinc/78/91/10/698789110.db2.gz HELWFDANMLQJQF-CYBMUJFWSA-N 0 3 311.378 1.647 20 10 DDCDHN C[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccccc1[O-] ZINC000783510464 698845205 /nfs/dbraw/zinc/84/52/05/698845205.db2.gz OJSUUGSSMKRSJM-CQSZACIVSA-N 0 3 319.449 1.986 20 10 DDCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCN(C)C2)c1[O-] ZINC000729682427 699485014 /nfs/dbraw/zinc/48/50/14/699485014.db2.gz QWTGIFHUTXBDPW-LLVKDONJSA-N 0 3 315.211 1.957 20 10 DDCDHN Cc1ccc(O)c(CNCc2ccc(S(N)(=O)=O)s2)c1 ZINC000733900669 699622941 /nfs/dbraw/zinc/62/29/41/699622941.db2.gz YXGZNTSHQIPWQK-UHFFFAOYSA-N 0 3 312.416 1.699 20 10 DDCDHN CCN1CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000802317984 700395276 /nfs/dbraw/zinc/39/52/76/700395276.db2.gz KSUYVTQSISNZLQ-PBHICJAKSA-N 0 3 317.433 1.795 20 10 DDCDHN C[C@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc(Br)cc1[O-] ZINC000756556350 700627894 /nfs/dbraw/zinc/62/78/94/700627894.db2.gz NVIBKCLJSBITET-GXSJLCMTSA-N 0 3 317.227 1.728 20 10 DDCDHN CCN(C)c1ccc([C@@H](C)NCC(=O)N2CCN(C)CC2)cc1 ZINC000765415809 701010912 /nfs/dbraw/zinc/01/09/12/701010912.db2.gz AQMYJVKKYNRLOM-OAHLLOKOSA-N 0 3 318.465 1.567 20 10 DDCDHN COC(=O)[C@@H](C)C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768450258 701177823 /nfs/dbraw/zinc/17/78/23/701177823.db2.gz JHTHVPHGLPAHIP-ZUZCIYMTSA-N 0 3 321.373 1.592 20 10 DDCDHN COC(=O)[C@@H](C)C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768450258 701177827 /nfs/dbraw/zinc/17/78/27/701177827.db2.gz JHTHVPHGLPAHIP-ZUZCIYMTSA-N 0 3 321.373 1.592 20 10 DDCDHN COC(=O)[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000768461534 701179244 /nfs/dbraw/zinc/17/92/44/701179244.db2.gz WGLYPDHPKCTCDG-AWEZNQCLSA-N 0 3 322.380 1.657 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)c([O-])c1 ZINC000769446378 701245102 /nfs/dbraw/zinc/24/51/02/701245102.db2.gz MXEUJUNZIBHNFU-UHFFFAOYSA-N 0 3 304.390 1.893 20 10 DDCDHN CC[C@]1(NCC(=O)NCc2ccc(N(C)C)cc2)CCOC1 ZINC000839577132 701742861 /nfs/dbraw/zinc/74/28/61/701742861.db2.gz AVSHXRAXJOJCMS-KRWDZBQOSA-N 0 3 305.422 1.528 20 10 DDCDHN C[C@H](NC1COCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000813881139 702430917 /nfs/dbraw/zinc/43/09/17/702430917.db2.gz UPURDNNWBRCGNQ-ZDUSSCGKSA-N 0 3 324.396 1.728 20 10 DDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1cccc(OC)c1O ZINC000866439603 706699362 /nfs/dbraw/zinc/69/93/62/706699362.db2.gz IFKBYRCOGLLOPS-VWYCJHECSA-N 0 3 324.377 1.118 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000843415306 702876868 /nfs/dbraw/zinc/87/68/68/702876868.db2.gz IYWIFIHKBNFEGI-GFCCVEGCSA-N 0 3 300.362 1.877 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000843415306 702876871 /nfs/dbraw/zinc/87/68/71/702876871.db2.gz IYWIFIHKBNFEGI-GFCCVEGCSA-N 0 3 300.362 1.877 20 10 DDCDHN COc1ccc(N(C)CCN(C)CCN2C(=O)CCC2=O)cc1 ZINC000844400243 703026149 /nfs/dbraw/zinc/02/61/49/703026149.db2.gz YCNDCWKXAKEPHS-UHFFFAOYSA-N 0 3 319.405 1.212 20 10 DDCDHN C[NH+](C)CCN1CCN(Cc2c([O-])cccc2Cl)CC1=O ZINC000846011905 703226512 /nfs/dbraw/zinc/22/65/12/703226512.db2.gz SFNLJLKGCVAWTH-UHFFFAOYSA-N 0 3 311.813 1.251 20 10 DDCDHN C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cc(F)ccc1[O-] ZINC000866571231 706732083 /nfs/dbraw/zinc/73/20/83/706732083.db2.gz BCQKUOIBXWYBPO-SECBINFHSA-N 0 3 304.387 1.497 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC000846448055 703277358 /nfs/dbraw/zinc/27/73/58/703277358.db2.gz XNMAZBLCQKEQMO-MRXNPFEDSA-N 0 3 305.422 1.684 20 10 DDCDHN Oc1ccccc1CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856534530 704532224 /nfs/dbraw/zinc/53/22/24/704532224.db2.gz SMYFWAORZRHEHF-JKSUJKDBSA-N 0 3 311.385 1.743 20 10 DDCDHN COCCN(C)CCNCc1cc(F)c(N(C)C)cc1F ZINC000858121656 704667974 /nfs/dbraw/zinc/66/79/74/704667974.db2.gz KSXBPECRHPKLDZ-UHFFFAOYSA-N 0 3 301.381 1.699 20 10 DDCDHN COc1cc(CN2C[C@H](O)C[C@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000824912873 705556786 /nfs/dbraw/zinc/55/67/86/705556786.db2.gz CFBFBZPSHQTOJG-BETUJISGSA-N 0 3 309.406 1.626 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c([O-])c1 ZINC000827139975 705938759 /nfs/dbraw/zinc/93/87/59/705938759.db2.gz FQTXJUSFMSZEGT-SWLSCSKDSA-N 0 3 304.390 1.891 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c([O-])c1 ZINC000827139975 705938761 /nfs/dbraw/zinc/93/87/61/705938761.db2.gz FQTXJUSFMSZEGT-SWLSCSKDSA-N 0 3 304.390 1.891 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000877076078 705977909 /nfs/dbraw/zinc/97/79/09/705977909.db2.gz JLWAKXQAJLLGGK-YVEFUNNKSA-N 0 3 317.389 1.511 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000927022572 712931474 /nfs/dbraw/zinc/93/14/74/712931474.db2.gz FRBFIUCEGURXIV-FXPVBKGRSA-N 0 3 317.382 1.075 20 10 DDCDHN COC(=O)c1ccc(CNCc2cc(OC)ccc2O)n1C ZINC000873050806 707709964 /nfs/dbraw/zinc/70/99/64/707709964.db2.gz TUIRKFYMVOYUJP-UHFFFAOYSA-N 0 3 304.346 1.816 20 10 DDCDHN COCC[C@@H](N)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000884203114 708187594 /nfs/dbraw/zinc/18/75/94/708187594.db2.gz PHAABBIUZPFZGO-CZUORRHYSA-N 0 3 321.421 1.064 20 10 DDCDHN NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000897057697 708218699 /nfs/dbraw/zinc/21/86/99/708218699.db2.gz HNYDWHRJHFUJFL-GFCCVEGCSA-N 0 3 320.414 1.656 20 10 DDCDHN NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000897057697 708218700 /nfs/dbraw/zinc/21/87/00/708218700.db2.gz HNYDWHRJHFUJFL-GFCCVEGCSA-N 0 3 320.414 1.656 20 10 DDCDHN COC[C@@H](OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248644 710141361 /nfs/dbraw/zinc/14/13/61/710141361.db2.gz ZOHFECLHWRUPMQ-JKSUJKDBSA-N 0 3 323.437 1.133 20 10 DDCDHN Cc1nonc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253388 710143315 /nfs/dbraw/zinc/14/33/15/710143315.db2.gz SAWHGFQKBSNWOX-CQSZACIVSA-N 0 3 317.393 1.477 20 10 DDCDHN CC[C@](C)(O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891257599 710144592 /nfs/dbraw/zinc/14/45/92/710144592.db2.gz IXFMSXXYZFAGPS-RDJZCZTQSA-N 0 3 307.438 1.633 20 10 DDCDHN COc1ccc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c([O-])c1OC ZINC000892242058 710402780 /nfs/dbraw/zinc/40/27/80/710402780.db2.gz OPPCTJGKHGOXGW-CYBMUJFWSA-N 0 3 322.405 1.710 20 10 DDCDHN COc1ccc(C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)c([O-])c1OC ZINC000892242058 710402781 /nfs/dbraw/zinc/40/27/81/710402781.db2.gz OPPCTJGKHGOXGW-CYBMUJFWSA-N 0 3 322.405 1.710 20 10 DDCDHN COc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(O)c1OC ZINC000893942389 710894852 /nfs/dbraw/zinc/89/48/52/710894852.db2.gz GISHWBDUQJJLHB-JKOKRWQUSA-N 0 3 320.389 1.495 20 10 DDCDHN COc1ccc(CNCc2c3c(nn2C)CCOC3)c(O)c1 ZINC000894186827 711006098 /nfs/dbraw/zinc/00/60/98/711006098.db2.gz ZMCQPKGJKJDWGH-UHFFFAOYSA-N 0 3 303.362 1.497 20 10 DDCDHN COc1ccc(C[NH2+]Cc2c3c(nn2C)CCOC3)c([O-])c1 ZINC000894186827 711006104 /nfs/dbraw/zinc/00/61/04/711006104.db2.gz ZMCQPKGJKJDWGH-UHFFFAOYSA-N 0 3 303.362 1.497 20 10 DDCDHN COCCONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000894511694 711156474 /nfs/dbraw/zinc/15/64/74/711156474.db2.gz PSSYYAVHPVNQSY-HNNXBMFYSA-N 0 3 324.425 1.233 20 10 DDCDHN CC(C)(C)OC(=O)N1CC(O)(C[NH2+]Cc2ccccc2[O-])C1 ZINC000895209061 711454087 /nfs/dbraw/zinc/45/40/87/711454087.db2.gz YIBJJGYTWOORPF-UHFFFAOYSA-N 0 3 308.378 1.464 20 10 DDCDHN COc1cc(Br)cc(C[NH2+]CCCON)c1[O-] ZINC000904457924 711860404 /nfs/dbraw/zinc/86/04/04/711860404.db2.gz VMVGTQHTKIROKF-UHFFFAOYSA-N 0 3 305.172 1.533 20 10 DDCDHN CCN1CC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000925322910 714809674 /nfs/dbraw/zinc/80/96/74/714809674.db2.gz QIDIOBYRWOEFEJ-ZDUSSCGKSA-N 0 3 303.362 1.251 20 10 DDCDHN COc1cc([O-])c(CN2C[C@@H](C)[C@H]([NH3+])C2)c(Br)c1 ZINC001206075328 769589557 /nfs/dbraw/zinc/58/95/57/769589557.db2.gz GJHLYSHYVJNXAJ-PRHODGIISA-N 0 3 315.211 1.942 20 10 DDCDHN CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC001116437017 780508497 /nfs/dbraw/zinc/50/84/97/780508497.db2.gz OAWNFYDHLFDCGB-MLGOLLRUSA-N 0 3 320.389 1.118 20 10 DDCDHN CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC001116437017 780508505 /nfs/dbraw/zinc/50/85/05/780508505.db2.gz OAWNFYDHLFDCGB-MLGOLLRUSA-N 0 3 320.389 1.118 20 10 DDCDHN COCCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618275 846415967 /nfs/dbraw/zinc/41/59/67/846415967.db2.gz DWYXGFFUWZMEDH-GOSISDBHSA-N 0 3 318.417 1.853 20 10 DDCDHN COCCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618275 846415971 /nfs/dbraw/zinc/41/59/71/846415971.db2.gz DWYXGFFUWZMEDH-GOSISDBHSA-N 0 3 318.417 1.853 20 10 DDCDHN CCOc1cccc(CN2CCC[C@]23CCN(C)C3=O)c1O ZINC001272626242 846424319 /nfs/dbraw/zinc/42/43/19/846424319.db2.gz VAUJIHVEMDAKSR-QGZVFWFLSA-N 0 3 304.390 1.988 20 10 DDCDHN CN(C)c1ccc(CNC(=O)c2cc3n(n2)CCC[C@@H]3N)cc1 ZINC001121901203 858625957 /nfs/dbraw/zinc/62/59/57/858625957.db2.gz MCOHVKCWFPTTTD-AWEZNQCLSA-N 0 3 313.405 1.673 20 10 DDCDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140952461 860745624 /nfs/dbraw/zinc/74/56/24/860745624.db2.gz SQVJDOJKUWJXRW-NVXWUHKLSA-N 0 3 304.390 1.428 20 10 DDCDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140952461 860745636 /nfs/dbraw/zinc/74/56/36/860745636.db2.gz SQVJDOJKUWJXRW-NVXWUHKLSA-N 0 3 304.390 1.428 20 10 DDCDHN COC(=O)[C@@H]1CCCN(Cc2c(O)cc(OC)cc2OC)C1 ZINC001141031748 860768760 /nfs/dbraw/zinc/76/87/60/860768760.db2.gz JEUJKTNAWXGIQZ-LLVKDONJSA-N 0 3 309.362 1.794 20 10 DDCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141031748 860768766 /nfs/dbraw/zinc/76/87/66/860768766.db2.gz JEUJKTNAWXGIQZ-LLVKDONJSA-N 0 3 309.362 1.794 20 10 DDCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141031748 860768770 /nfs/dbraw/zinc/76/87/70/860768770.db2.gz JEUJKTNAWXGIQZ-LLVKDONJSA-N 0 3 309.362 1.794 20 10 DDCDHN CC(=O)N1CCC(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC001330697583 864539759 /nfs/dbraw/zinc/53/97/59/864539759.db2.gz XCLIQUWLVCUGDZ-GFCCVEGCSA-N 0 3 319.405 1.170 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC[C@@H]3CO)cc2F)CC1 ZINC001319706019 866232776 /nfs/dbraw/zinc/23/27/76/866232776.db2.gz QSXPKUMVXIEYNH-OAHLLOKOSA-N 0 3 307.413 1.534 20 10 DDCDHN CN1CCCc2cc(CN3C[C@@H]4OCCN(C)[C@H]4C3)ccc21 ZINC001276579459 874393965 /nfs/dbraw/zinc/39/39/65/874393965.db2.gz YDZOJSGPWKWQEY-ROUUACIJSA-N 0 3 301.434 1.584 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)[C@H]2CNCCN2C)cc1 ZINC001353494182 877372086 /nfs/dbraw/zinc/37/20/86/877372086.db2.gz AZDBCBGKWHTKEL-MRXNPFEDSA-N 0 3 304.438 1.053 20 10 DDCDHN [NH3+][C@H](CC(=O)NC[C@H]1CCNCC1(F)F)c1ccccc1[O-] ZINC001220185403 878796327 /nfs/dbraw/zinc/79/63/27/878796327.db2.gz GZLYYQNQHVTCTO-ZYHUDNBSSA-N 0 3 313.348 1.143 20 10 DDCDHN [O-]c1ccc(F)c(F)c1CN1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222684641 880651663 /nfs/dbraw/zinc/65/16/63/880651663.db2.gz KFCRXIOAHVRFMT-INIZCTEOSA-N 0 3 311.376 1.588 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)c(OC)c1 ZINC001277588532 885949701 /nfs/dbraw/zinc/94/97/01/885949701.db2.gz NDIZTHBXHAKSKX-CULMDFNYSA-N 0 3 320.389 1.353 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)c(OC)c1 ZINC001277588532 885949714 /nfs/dbraw/zinc/94/97/14/885949714.db2.gz NDIZTHBXHAKSKX-CULMDFNYSA-N 0 3 320.389 1.353 20 10 DDCDHN COc1cc(O)c(CN2CCc3nccn3CC2)cc1OC ZINC001236757259 889333617 /nfs/dbraw/zinc/33/36/17/889333617.db2.gz JJSHXRQHTZEDFN-UHFFFAOYSA-N 0 3 303.362 1.664 20 10 DDCDHN CCC(=O)NC1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236757072 889335556 /nfs/dbraw/zinc/33/55/56/889335556.db2.gz XTHZZGBIZMCXLK-UHFFFAOYSA-N 0 3 322.405 1.900 20 10 DDCDHN COc1cc([O-])c(CN(C)C[C@H](C)[NH3+])c(Br)c1 ZINC001236907801 889411940 /nfs/dbraw/zinc/41/19/40/889411940.db2.gz GVHGJWLEAFLDPP-QMMMGPOBSA-N 0 3 303.200 1.942 20 10 DDCDHN [O-]c1cc(O)ccc1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC001251946189 894906647 /nfs/dbraw/zinc/90/66/47/894906647.db2.gz RVHRRTPCLACKIF-AWEZNQCLSA-N 0 3 307.321 1.766 20 10 DDCDHN COc1ccccc1OC[C@@H](O)CNCc1ccc(O)c(O)c1 ZINC001252909794 895538870 /nfs/dbraw/zinc/53/88/70/895538870.db2.gz IJRIYPOMBGMOPU-ZDUSSCGKSA-N 0 3 319.357 1.636 20 10 DDCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)CC(=O)N1CCOCC1 ZINC001256343693 897391166 /nfs/dbraw/zinc/39/11/66/897391166.db2.gz YLLPENYJBCDSNY-AWEZNQCLSA-N 0 3 306.406 1.852 20 10 DDCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)CC(=O)N1CCOCC1 ZINC001256343693 897391179 /nfs/dbraw/zinc/39/11/79/897391179.db2.gz YLLPENYJBCDSNY-AWEZNQCLSA-N 0 3 306.406 1.852 20 10 DDCDHN CS(=O)(=O)N1CCC([N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001257239974 897787295 /nfs/dbraw/zinc/78/72/95/897787295.db2.gz KBRJRFIJMSPPNN-UHFFFAOYSA-N 0 3 310.419 1.174 20 10 DDCDHN CS(=O)(=O)N1CCC([N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001257239974 897787302 /nfs/dbraw/zinc/78/73/02/897787302.db2.gz KBRJRFIJMSPPNN-UHFFFAOYSA-N 0 3 310.419 1.174 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](C)[C@@H](C)C1)cc2=O ZINC000072873423 353223972 /nfs/dbraw/zinc/22/39/72/353223972.db2.gz PYMLPUKLKMTQHR-QWRGUYRKSA-N 0 3 318.377 1.699 20 10 DDCDHN COc1cccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c1[O-] ZINC000077458061 353471097 /nfs/dbraw/zinc/47/10/97/353471097.db2.gz HXOZHEVJDBZJFI-STQMWFEESA-N 0 3 313.419 1.846 20 10 DDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](O)CN1CCCCC1 ZINC000272561880 130041679 /nfs/dbraw/zinc/04/16/79/130041679.db2.gz BXPSTKGPSCDMDN-DYLGSBMWSA-N 0 3 320.389 1.074 20 10 DDCDHN CN(CCn1ccnc1)Cc1ccc(N2CCOCC2)cc1 ZINC000272946129 130076358 /nfs/dbraw/zinc/07/63/58/130076358.db2.gz FLERODXIHOCESX-UHFFFAOYSA-N 0 3 300.406 1.852 20 10 DDCDHN C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc(F)ccc1[O-] ZINC000273556276 130137143 /nfs/dbraw/zinc/13/71/43/130137143.db2.gz GXEXSSXGELUVKY-FZMZJTMJSA-N 0 3 309.385 1.522 20 10 DDCDHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC000186054326 407567950 /nfs/dbraw/zinc/56/79/50/407567950.db2.gz ZQXRIGNLRQRZMZ-DOMZBBRYSA-N 0 3 314.389 1.890 20 10 DDCDHN CCN(CCC[NH2+]Cc1cc(C)ccc1[O-])S(C)(=O)=O ZINC000071408199 406839025 /nfs/dbraw/zinc/83/90/25/406839025.db2.gz RCIVCRYKSFVHLI-UHFFFAOYSA-N 0 3 300.424 1.462 20 10 DDCDHN COc1cccc(CN[C@@H](C)C(=O)NCc2ccco2)c1O ZINC000111399475 407409868 /nfs/dbraw/zinc/40/98/68/407409868.db2.gz NXWRLZSHMPXHTA-NSHDSACASA-N 0 3 304.346 1.788 20 10 DDCDHN CCN(C)c1ccc([C@H](C)NCCN2C(=O)CNC2=O)cc1 ZINC000134112002 407884978 /nfs/dbraw/zinc/88/49/78/407884978.db2.gz IOQYLSPYAKUNSA-LBPRGKRZSA-N 0 3 304.394 1.345 20 10 DDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)c1 ZINC000185341301 408797393 /nfs/dbraw/zinc/79/73/93/408797393.db2.gz YYKMWXKXOFUILH-CQSZACIVSA-N 0 3 305.422 1.515 20 10 DDCDHN CC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(C)C ZINC000178001803 408753922 /nfs/dbraw/zinc/75/39/22/408753922.db2.gz LYSOXGCCOWFAKI-MRXNPFEDSA-N 0 3 305.422 1.684 20 10 DDCDHN C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(F)ccc1[O-] ZINC000282711647 409062498 /nfs/dbraw/zinc/06/24/98/409062498.db2.gz LLRXFFSDRHLQDN-GFCCVEGCSA-N 0 3 313.369 1.740 20 10 DDCDHN C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])NC(=O)NC1=O ZINC000289706246 409284770 /nfs/dbraw/zinc/28/47/70/409284770.db2.gz OSKDLFWWAHINAZ-WBMJQRKESA-N 0 3 321.352 1.484 20 10 DDCDHN C[C@@]1(C[C@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])NC(=O)NC1=O ZINC000289706246 409284771 /nfs/dbraw/zinc/28/47/71/409284771.db2.gz OSKDLFWWAHINAZ-WBMJQRKESA-N 0 3 321.352 1.484 20 10 DDCDHN CCN(C)c1ccc([C@@H](C)NCCS(=O)(=O)N(C)C)cc1 ZINC000290137397 409307556 /nfs/dbraw/zinc/30/75/56/409307556.db2.gz KKRXPWHYBLYTBP-CYBMUJFWSA-N 0 3 313.467 1.685 20 10 DDCDHN CN(Cc1cccs1)c1ccc(CNC(CO)CO)cc1 ZINC000295871540 409372993 /nfs/dbraw/zinc/37/29/93/409372993.db2.gz XKLJKEYBUBIEPU-UHFFFAOYSA-N 0 3 306.431 1.827 20 10 DDCDHN CCOc1cccc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1[O-] ZINC000377728000 418714037 /nfs/dbraw/zinc/71/40/37/418714037.db2.gz VRTGQDLBOMWEKJ-AWEZNQCLSA-N 0 3 316.405 1.893 20 10 DDCDHN COc1c([O-])c(C[NH2+][C@H]2CCc3cn[nH]c3C2)ccc1[N+](=O)[O-] ZINC000369326783 418732447 /nfs/dbraw/zinc/73/24/47/418732447.db2.gz KYJTWDXITCCEBB-NSHDSACASA-N 0 3 318.333 1.679 20 10 DDCDHN COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000278799711 222517548 /nfs/dbraw/zinc/51/75/48/222517548.db2.gz XKFQGOVIYZTSAU-NVXWUHKLSA-N 0 3 323.433 1.855 20 10 DDCDHN COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000278799711 222517552 /nfs/dbraw/zinc/51/75/52/222517552.db2.gz XKFQGOVIYZTSAU-NVXWUHKLSA-N 0 3 323.433 1.855 20 10 DDCDHN COc1ccc(O)c(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000362048906 418744969 /nfs/dbraw/zinc/74/49/69/418744969.db2.gz XWMVZXZHFFJXHP-RDJZCZTQSA-N 0 3 306.406 1.432 20 10 DDCDHN C[C@@H]1C[C@@H]1N1C[C@@H](NCc2ccc(N(C)C)c(F)c2)CC1=O ZINC000363414548 418765734 /nfs/dbraw/zinc/76/57/34/418765734.db2.gz OMIBMUWKKGXBBZ-FFSVYQOJSA-N 0 3 305.397 1.991 20 10 DDCDHN CCOc1ccc(O)c(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000371324826 418780181 /nfs/dbraw/zinc/78/01/81/418780181.db2.gz AUUUQRGHMPFLNB-AEFFLSMTSA-N 0 3 320.433 1.822 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000372575004 288167590 /nfs/dbraw/zinc/16/75/90/288167590.db2.gz ZLEGSWCRDFLIPG-GXTWGEPZSA-N 0 3 312.435 1.857 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000372575004 288167591 /nfs/dbraw/zinc/16/75/91/288167591.db2.gz ZLEGSWCRDFLIPG-GXTWGEPZSA-N 0 3 312.435 1.857 20 10 DDCDHN CC[C@@H](c1ccccc1O)N1CCN2C(=O)N(C)C(=O)[C@H]2C1 ZINC000372596241 280218788 /nfs/dbraw/zinc/21/87/88/280218788.db2.gz SANJGCFVNVYWGT-QWHCGFSZSA-N 0 3 303.362 1.422 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)c1 ZINC000185392174 295168643 /nfs/dbraw/zinc/16/86/43/295168643.db2.gz RTUHBFYTYSMSEV-KGLIPLIRSA-N 0 3 307.438 1.687 20 10 DDCDHN CN(C)c1ccc(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1 ZINC000375399731 337010210 /nfs/dbraw/zinc/01/02/10/337010210.db2.gz CXDHYNNPLYDAFH-CHWSQXEVSA-N 0 3 315.339 1.848 20 10 DDCDHN CCCOc1ccc(CN2CCN(C[C@@H](C)O)CC2)c(O)c1 ZINC000188734455 520348517 /nfs/dbraw/zinc/34/85/17/520348517.db2.gz BAGYBHICTDAKJB-CQSZACIVSA-N 0 3 308.422 1.679 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000180453476 524744405 /nfs/dbraw/zinc/74/44/05/524744405.db2.gz QAZDHESIFFSJSQ-CQSZACIVSA-N 0 3 306.406 1.555 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000180453476 524744412 /nfs/dbraw/zinc/74/44/12/524744412.db2.gz QAZDHESIFFSJSQ-CQSZACIVSA-N 0 3 306.406 1.555 20 10 DDCDHN COc1cccc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)c1O ZINC000188897790 525944661 /nfs/dbraw/zinc/94/46/61/525944661.db2.gz HDIAJMLWDPXTNY-ZDUSSCGKSA-N 0 3 308.422 1.678 20 10 DDCDHN COc1ccc(O)c(CNC2CC[NH+](CCCC(=O)[O-])CC2)c1 ZINC000833733548 605227946 /nfs/dbraw/zinc/22/79/46/605227946.db2.gz KAKAPXNUXCVKKR-UHFFFAOYSA-N 0 3 322.405 1.820 20 10 DDCDHN CCCS(=O)(=O)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000037142926 696131740 /nfs/dbraw/zinc/13/17/40/696131740.db2.gz LCVKAWILONNPDM-UHFFFAOYSA-N 0 3 312.435 1.686 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c1[O-] ZINC000228676382 697775132 /nfs/dbraw/zinc/77/51/32/697775132.db2.gz PAETVLMSAHKGCL-NSHDSACASA-N 0 3 319.810 1.721 20 10 DDCDHN COCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774479589 697884038 /nfs/dbraw/zinc/88/40/38/697884038.db2.gz PUFRMHHIKDENOI-UONOGXRCSA-N 0 3 307.438 1.944 20 10 DDCDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCc1ccccc1O ZINC000389804266 699089977 /nfs/dbraw/zinc/08/99/77/699089977.db2.gz ZOJRBXYIFKUSLI-DXCKQFNASA-N 0 3 304.390 1.541 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]CCC(=O)Nc1ccccn1 ZINC000725849164 699335953 /nfs/dbraw/zinc/33/59/53/699335953.db2.gz UHSJNHFFKKENCQ-UHFFFAOYSA-N 0 3 301.346 1.914 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCN(C)C2)c1 ZINC000729049025 699465452 /nfs/dbraw/zinc/46/54/52/699465452.db2.gz BGIYHABKWDOKTE-NEPJUHHUSA-N 0 3 307.394 1.855 20 10 DDCDHN CN1CCN(c2ccc(CN3CC[C@](F)(CO)C3)cc2)CC1 ZINC000802660616 700416403 /nfs/dbraw/zinc/41/64/03/700416403.db2.gz RHHPGKVPNMHFDU-QGZVFWFLSA-N 0 3 307.413 1.345 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1F ZINC000753741172 700453327 /nfs/dbraw/zinc/45/33/27/700453327.db2.gz DWCMILCYQVQULP-HNNXBMFYSA-N 0 3 321.396 1.577 20 10 DDCDHN Cc1cc(C(=O)N[C@@H](CO)CN(C)C)c(C)n1-c1ccccn1 ZINC000808173400 701504527 /nfs/dbraw/zinc/50/45/27/701504527.db2.gz IBVSUKZHDVUCQK-CQSZACIVSA-N 0 3 316.405 1.141 20 10 DDCDHN CC[C@H]([NH2+]CCC(=O)NCCC(=O)OC)c1ccccc1[O-] ZINC000839540850 701729734 /nfs/dbraw/zinc/72/97/34/701729734.db2.gz NPEWJEVVXHERDL-ZDUSSCGKSA-N 0 3 308.378 1.502 20 10 DDCDHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841007102 702308429 /nfs/dbraw/zinc/30/84/29/702308429.db2.gz LKSQNUQGRGNSOB-GFCCVEGCSA-N 0 3 304.394 1.055 20 10 DDCDHN CCOC(=O)[C@@H]1NCC[C@H]1NCc1ccc2c(c1)CCCN2C ZINC000817900937 702513294 /nfs/dbraw/zinc/51/32/94/702513294.db2.gz RSDLFDMZDYMEDG-NVXWUHKLSA-N 0 3 317.433 1.452 20 10 DDCDHN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H](C)CN1 ZINC000841758793 702557766 /nfs/dbraw/zinc/55/77/66/702557766.db2.gz DDQGRMHBFFYUFL-RYUDHWBXSA-N 0 3 308.401 1.784 20 10 DDCDHN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC[C@H]1[NH3+] ZINC000843051053 702808522 /nfs/dbraw/zinc/80/85/22/702808522.db2.gz UFLQLAXAAAPHMU-ZYHUDNBSSA-N 0 3 309.366 1.868 20 10 DDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000866438929 706699368 /nfs/dbraw/zinc/69/93/68/706699368.db2.gz AKJLBJCXFNIXJI-AGIUHOORSA-N 0 3 321.421 1.469 20 10 DDCDHN CC[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000843488103 702891492 /nfs/dbraw/zinc/89/14/92/702891492.db2.gz QVUJCHWMRAPZNU-IRXDYDNUSA-N 0 3 319.449 1.998 20 10 DDCDHN CC[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1ccccc1[O-] ZINC000866551824 706727492 /nfs/dbraw/zinc/72/74/92/706727492.db2.gz CNHAJQKTCHAJTQ-WMLDXEAASA-N 0 3 320.389 1.061 20 10 DDCDHN CC[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccccc1[O-] ZINC000866571252 706732311 /nfs/dbraw/zinc/73/23/11/706732311.db2.gz BUHLZYXTDORWDU-LBPRGKRZSA-N 0 3 300.424 1.748 20 10 DDCDHN CC[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(C)cc1[O-] ZINC000850510966 703734620 /nfs/dbraw/zinc/73/46/20/703734620.db2.gz YTGUCVNLFKLFNT-RDJZCZTQSA-N 0 3 309.406 1.909 20 10 DDCDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(N)cc1 ZINC000831880373 706797350 /nfs/dbraw/zinc/79/73/50/706797350.db2.gz CKWVSHVWCMDOLY-MRXNPFEDSA-N 0 3 305.422 1.381 20 10 DDCDHN O[C@H](CNCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000853123131 704201459 /nfs/dbraw/zinc/20/14/59/704201459.db2.gz YGGNNUMAPFJINJ-CQSZACIVSA-N 0 3 318.339 1.661 20 10 DDCDHN C[C@H]1CN(CCNCc2cc(F)c(N(C)C)cc2F)CCO1 ZINC000858127985 704668643 /nfs/dbraw/zinc/66/86/43/704668643.db2.gz XFRRZVRVIYOUBL-LBPRGKRZSA-N 0 3 313.392 1.841 20 10 DDCDHN CC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NC ZINC000834914843 707147896 /nfs/dbraw/zinc/14/78/96/707147896.db2.gz WWWNHZKAMJGNSY-WFASDCNBSA-N 0 3 323.412 1.838 20 10 DDCDHN Cc1cccc(O)c1CN1CCN(Cc2nccn2C)CC1 ZINC000876694548 705823442 /nfs/dbraw/zinc/82/34/42/705823442.db2.gz SHAZWFDWLUFXGK-UHFFFAOYSA-N 0 3 300.406 1.752 20 10 DDCDHN CN(C)c1ccc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1F ZINC000827131876 705936201 /nfs/dbraw/zinc/93/62/01/705936201.db2.gz FHAZXFFJPJXQLF-ZFWWWQNUSA-N 0 3 305.397 1.992 20 10 DDCDHN CC1(C)OCC(NCc2ccc(N3CCC(O)CC3)cc2)CO1 ZINC000877338642 706069282 /nfs/dbraw/zinc/06/92/82/706069282.db2.gz JKNGWOQADRDEGM-UHFFFAOYSA-N 0 3 320.433 1.889 20 10 DDCDHN CN1CCCc2cc(CNC(=O)C(N)C(F)(F)F)ccc21 ZINC000827913665 706087117 /nfs/dbraw/zinc/08/71/17/706087117.db2.gz FYIQJVDFXWUJFD-LBPRGKRZSA-N 0 3 301.312 1.575 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c([O-])c1 ZINC000877517903 706130603 /nfs/dbraw/zinc/13/06/03/706130603.db2.gz CIBQGXCDLFMWDW-AWEZNQCLSA-N 0 3 312.435 1.604 20 10 DDCDHN COC(=O)C1=NO[C@@]2(CCN(Cc3cccc(C)c3O)C2)C1 ZINC000877715109 706186421 /nfs/dbraw/zinc/18/64/21/706186421.db2.gz UYIREZIITSGKAJ-INIZCTEOSA-N 0 3 304.346 1.594 20 10 DDCDHN Cn1nnnc1CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000878103390 706294099 /nfs/dbraw/zinc/29/40/99/706294099.db2.gz KDDNNFZEGUHGJM-UHFFFAOYSA-N 0 3 301.394 1.903 20 10 DDCDHN Cn1nnnc1CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000878103390 706294101 /nfs/dbraw/zinc/29/41/01/706294101.db2.gz KDDNNFZEGUHGJM-UHFFFAOYSA-N 0 3 301.394 1.903 20 10 DDCDHN Cc1cc(CN2CCN(Cc3nnc[nH]3)CC2)ccc1N(C)C ZINC000878810469 706506015 /nfs/dbraw/zinc/50/60/15/706506015.db2.gz FNAMSVLLJSLGCJ-UHFFFAOYSA-N 0 3 314.437 1.497 20 10 DDCDHN C[C@H](O)[C@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000865739980 706511648 /nfs/dbraw/zinc/51/16/48/706511648.db2.gz YRCOOIOPORFBCY-TVQRCGJNSA-N 0 3 306.328 1.603 20 10 DDCDHN COc1ccc(CNC2COCCOC2)cc1Cn1cccn1 ZINC000873127284 707742502 /nfs/dbraw/zinc/74/25/02/707742502.db2.gz LSBNLXCSTKYKMO-UHFFFAOYSA-N 0 3 317.389 1.445 20 10 DDCDHN CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000898347962 708615916 /nfs/dbraw/zinc/61/59/16/708615916.db2.gz BLXBOKRTCJYPHI-UONOGXRCSA-N 0 3 308.378 1.239 20 10 DDCDHN Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCOCC2)c(O)c1O ZINC000885876425 708647500 /nfs/dbraw/zinc/64/75/00/708647500.db2.gz QQTAGRXUGYSEBB-ZDUSSCGKSA-N 0 3 320.389 1.389 20 10 DDCDHN C[C@H]1C(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C(=O)N1C ZINC000900184734 709319059 /nfs/dbraw/zinc/31/90/59/709319059.db2.gz FWUJXZHMKGMQQN-SWLSCSKDSA-N 0 3 318.421 1.638 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)C(C)(C)CO)N(C)C)cc1 ZINC000891249714 710141802 /nfs/dbraw/zinc/14/18/02/710141802.db2.gz VTWHPYNRNKSZTN-HNNXBMFYSA-N 0 3 307.438 1.490 20 10 DDCDHN COCCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891432068 710200074 /nfs/dbraw/zinc/20/00/74/710200074.db2.gz XXJXBFFQCUIGRR-MRXNPFEDSA-N 0 3 322.453 1.691 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCOC2)N(C)C)cc1 ZINC000893814835 710840743 /nfs/dbraw/zinc/84/07/43/710840743.db2.gz XWSYKKOYDKYZDY-GOEBONIOSA-N 0 3 320.437 1.443 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)OC2COC2)N(C)C)cc1 ZINC000903044629 711013603 /nfs/dbraw/zinc/01/36/03/711013603.db2.gz CAOFMDYSUSYOQI-OAHLLOKOSA-N 0 3 307.394 1.480 20 10 DDCDHN COC(=O)C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H]1C ZINC000905711283 712128036 /nfs/dbraw/zinc/12/80/36/712128036.db2.gz DDIHFLRBWKYOJH-UEKVPHQBSA-N 0 3 321.373 1.449 20 10 DDCDHN COC(=O)C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H]1C ZINC000905711283 712128037 /nfs/dbraw/zinc/12/80/37/712128037.db2.gz DDIHFLRBWKYOJH-UEKVPHQBSA-N 0 3 321.373 1.449 20 10 DDCDHN O=C(NCc1c(O)cccc1F)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000916841232 713468975 /nfs/dbraw/zinc/46/89/75/713468975.db2.gz CHIZWJMKSRJYEA-RYUDHWBXSA-N 0 3 323.368 1.194 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000916841232 713468976 /nfs/dbraw/zinc/46/89/76/713468976.db2.gz CHIZWJMKSRJYEA-RYUDHWBXSA-N 0 3 323.368 1.194 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000916841232 713468978 /nfs/dbraw/zinc/46/89/78/713468978.db2.gz CHIZWJMKSRJYEA-RYUDHWBXSA-N 0 3 323.368 1.194 20 10 DDCDHN CN(Cc1ccccc1O)C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC000929971180 713724946 /nfs/dbraw/zinc/72/49/46/713724946.db2.gz NBKOKLGHKOUEGJ-AWEZNQCLSA-N 0 3 300.362 1.403 20 10 DDCDHN C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000921435036 713769507 /nfs/dbraw/zinc/76/95/07/713769507.db2.gz TXAZPDPNDNGANA-YGRLFVJLSA-N 0 3 307.369 1.813 20 10 DDCDHN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000921435036 713769508 /nfs/dbraw/zinc/76/95/08/713769508.db2.gz TXAZPDPNDNGANA-YGRLFVJLSA-N 0 3 307.369 1.813 20 10 DDCDHN CN(C)c1ccc(CN2CCC3(CC2)C[C@H](O)CNC3=O)cc1 ZINC000932836194 714423190 /nfs/dbraw/zinc/42/31/90/714423190.db2.gz SFZNIKFIBQFAHQ-INIZCTEOSA-N 0 3 317.433 1.216 20 10 DDCDHN CC(C)n1cc(C[NH2+]Cc2cc(F)ccc2[O-])c(=O)[nH]c1=O ZINC001183512119 743849564 /nfs/dbraw/zinc/84/95/64/743849564.db2.gz YHIINSGZEMOVSZ-UHFFFAOYSA-N 0 3 307.325 1.664 20 10 DDCDHN Cc1c2ccccc2n(C)c1CNC[C@@]1(O)CCS(=O)(=O)C1 ZINC001202425954 748774696 /nfs/dbraw/zinc/77/46/96/748774696.db2.gz CXSHONCMBWJYDC-INIZCTEOSA-N 0 3 322.430 1.126 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC[C@@H](O)C3)cc2F)CC1 ZINC001118312424 781089909 /nfs/dbraw/zinc/08/99/09/781089909.db2.gz BGSHSXWUZCHZMQ-OAHLLOKOSA-N 0 3 307.413 1.534 20 10 DDCDHN O=C1N(C2COC2)CC[C@@]12CCC[N@H+]2Cc1ccccc1[O-] ZINC001272618650 846415796 /nfs/dbraw/zinc/41/57/96/846415796.db2.gz LGGACVFGEOMJGQ-KRWDZBQOSA-N 0 3 302.374 1.358 20 10 DDCDHN O=C1N(C2COC2)CC[C@@]12CCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618650 846415805 /nfs/dbraw/zinc/41/58/05/846415805.db2.gz LGGACVFGEOMJGQ-KRWDZBQOSA-N 0 3 302.374 1.358 20 10 DDCDHN Cc1ccc(O)c(CN2CCN(CCN3CCOCC3)CC2)c1 ZINC001140621311 860664425 /nfs/dbraw/zinc/66/44/25/860664425.db2.gz VJWVODIPFUJONR-UHFFFAOYSA-N 0 3 319.449 1.150 20 10 DDCDHN COc1cc(C)cc(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC001333718220 866960130 /nfs/dbraw/zinc/96/01/30/866960130.db2.gz HAHCBLXKPTXXCC-WCQYABFASA-N 0 3 313.419 1.765 20 10 DDCDHN Nc1ccc(CNC(=O)NC[C@@H]2NCCc3ccccc32)cc1 ZINC001338642754 870089760 /nfs/dbraw/zinc/08/97/60/870089760.db2.gz BBKKQGJPXNEPGQ-KRWDZBQOSA-N 0 3 310.401 1.955 20 10 DDCDHN COc1cccc(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c1O ZINC001203592919 870654862 /nfs/dbraw/zinc/65/48/62/870654862.db2.gz HZGQBMVKFKPLBL-IYBDPMFKSA-N 0 3 318.417 1.696 20 10 DDCDHN COc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(C)C3)c([O-])c1 ZINC001203623633 870679058 /nfs/dbraw/zinc/67/90/58/870679058.db2.gz VOJDUXOCAHWCQX-QGZVFWFLSA-N 0 3 304.390 1.988 20 10 DDCDHN COc1ccc(C[N@H+]2CCCC[C@]23CC(=O)N(C)C3)c([O-])c1 ZINC001203623633 870679069 /nfs/dbraw/zinc/67/90/69/870679069.db2.gz VOJDUXOCAHWCQX-QGZVFWFLSA-N 0 3 304.390 1.988 20 10 DDCDHN O=C(NCC(F)F)C12CC([NH2+]Cc3ccc(O)cc3[O-])(C1)C2 ZINC001277192657 882928220 /nfs/dbraw/zinc/92/82/20/882928220.db2.gz SISKYKPNRQYPMM-UHFFFAOYSA-N 0 3 312.316 1.491 20 10 DDCDHN Cc1cccc(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c1O ZINC001231593938 885756299 /nfs/dbraw/zinc/75/62/99/885756299.db2.gz XRPGYYPXKVKFCP-CALCHBBNSA-N 0 3 302.418 1.996 20 10 DDCDHN Oc1cc(O)c(CN2CCN(C3CCOCC3)CC2)cc1O ZINC001233485423 887017080 /nfs/dbraw/zinc/01/70/80/887017080.db2.gz VERSKVNFGOMQLD-UHFFFAOYSA-N 0 3 308.378 1.100 20 10 DDCDHN COc1cc(C)c(CN2CCC[C@]3(CNC(=O)O3)C2)c(O)c1 ZINC001236810046 889368142 /nfs/dbraw/zinc/36/81/42/889368142.db2.gz BFNFZGYRWKDNIZ-INIZCTEOSA-N 0 3 306.362 1.784 20 10 DDCDHN CC/C=C(/C)C(=O)NC[C@H](CO)NCc1ccc(OC)c(C)c1 ZINC001278054740 889506814 /nfs/dbraw/zinc/50/68/14/889506814.db2.gz VVZKDHDYSBNKPJ-ORDXOSSNSA-N 0 3 320.433 1.927 20 10 DDCDHN Cc1cccc([O-])c1C[NH+]1CCC(OCC(=O)NC2CC2)CC1 ZINC001237488520 889665687 /nfs/dbraw/zinc/66/56/87/889665687.db2.gz ZGRSMBRMCQDPTG-UHFFFAOYSA-N 0 3 318.417 1.960 20 10 DDCDHN Cn1ccc(-c2nc(CN)ccc2NC(=O)C(C)(C)C)cc1=O ZINC001240978330 891106410 /nfs/dbraw/zinc/10/64/10/891106410.db2.gz SSCLSIUPOMYQNR-UHFFFAOYSA-N 0 3 314.389 1.891 20 10 DDCDHN COc1ccc(N2CCN(CC3(O)CCOCC3)CC2)c(C)c1 ZINC001252964900 895585723 /nfs/dbraw/zinc/58/57/23/895585723.db2.gz ANXFEJMTVRCFJS-UHFFFAOYSA-N 0 3 320.433 1.667 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)c1 ZINC000092473817 185320562 /nfs/dbraw/zinc/32/05/62/185320562.db2.gz UWPWMKFZQKZWJY-MRXNPFEDSA-N 0 3 311.422 1.935 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c1 ZINC000092473817 185320563 /nfs/dbraw/zinc/32/05/63/185320563.db2.gz UWPWMKFZQKZWJY-MRXNPFEDSA-N 0 3 311.422 1.935 20 10 DDCDHN CC(=O)NCC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000054517128 352694756 /nfs/dbraw/zinc/69/47/56/352694756.db2.gz NSQWZOFBDQMCMF-UHFFFAOYSA-N 0 3 306.362 1.469 20 10 DDCDHN CC(=O)NCC1CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000054517128 352694759 /nfs/dbraw/zinc/69/47/59/352694759.db2.gz NSQWZOFBDQMCMF-UHFFFAOYSA-N 0 3 306.362 1.469 20 10 DDCDHN CCOc1cccc(CN2CCC[C@@H](N3CCNC3=O)C2)c1O ZINC000092188669 353846864 /nfs/dbraw/zinc/84/68/64/353846864.db2.gz ZPXKRGSTZZQNSG-CQSZACIVSA-N 0 3 319.405 1.781 20 10 DDCDHN COCCOCCOCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000274424550 130233935 /nfs/dbraw/zinc/23/39/35/130233935.db2.gz MDMIGJCOKLCDDU-UHFFFAOYSA-N 0 3 301.358 1.691 20 10 DDCDHN COCCO[C@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000275603010 130345956 /nfs/dbraw/zinc/34/59/56/130345956.db2.gz QCYYCEFJOGBMJY-ZDUSSCGKSA-N 0 3 311.378 1.647 20 10 DDCDHN Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000275620795 130350494 /nfs/dbraw/zinc/35/04/94/130350494.db2.gz RPNOUZBMVITYRT-NHYWBVRUSA-N 0 3 317.345 1.474 20 10 DDCDHN COc1cccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c1[O-] ZINC000285516262 131176298 /nfs/dbraw/zinc/17/62/98/131176298.db2.gz OOFPNERVLPDSOL-UHFFFAOYSA-N 0 3 313.419 1.848 20 10 DDCDHN COc1cccc(CNCC2(S(C)(=O)=O)CCCC2)c1O ZINC000285516262 131176300 /nfs/dbraw/zinc/17/63/00/131176300.db2.gz OOFPNERVLPDSOL-UHFFFAOYSA-N 0 3 313.419 1.848 20 10 DDCDHN CCCOc1ccc(C[NH2+]CCS(=O)(=O)N(C)C)c([O-])c1 ZINC000289737189 131411253 /nfs/dbraw/zinc/41/12/53/131411253.db2.gz VPCJNTSMGANHIX-UHFFFAOYSA-N 0 3 316.423 1.162 20 10 DDCDHN CC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)N1CCOCC1 ZINC000297731231 132030961 /nfs/dbraw/zinc/03/09/61/132030961.db2.gz NPFQNBGHNSMZOW-UONOGXRCSA-N 0 3 304.390 1.607 20 10 DDCDHN NC1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000269226858 408231544 /nfs/dbraw/zinc/23/15/44/408231544.db2.gz ARDCEQKNMAKISY-UHFFFAOYSA-N 0 3 303.406 1.003 20 10 DDCDHN Cc1cc(CN2CCC[C@]3(C2)NC(=O)NC3=O)ccc1N(C)C ZINC000293950941 409212512 /nfs/dbraw/zinc/21/25/12/409212512.db2.gz BSVWPECVYULREG-QGZVFWFLSA-N 0 3 316.405 1.235 20 10 DDCDHN O=C1NC(=O)[C@@]2(CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)N1 ZINC000361152704 418593397 /nfs/dbraw/zinc/59/33/97/418593397.db2.gz FBCVNAWLPDTOBV-KRWDZBQOSA-N 0 3 311.341 1.329 20 10 DDCDHN O=C1NC(=O)[C@@]2(CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)N1 ZINC000361152704 418593398 /nfs/dbraw/zinc/59/33/98/418593398.db2.gz FBCVNAWLPDTOBV-KRWDZBQOSA-N 0 3 311.341 1.329 20 10 DDCDHN C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCCOC1)c1ccccc1[O-] ZINC000367828696 418642177 /nfs/dbraw/zinc/64/21/77/418642177.db2.gz VSEWGEXRQZTELN-CRAIPNDOSA-N 0 3 320.433 1.924 20 10 DDCDHN Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)c(C)n1-c1ccccn1 ZINC000368059078 418681505 /nfs/dbraw/zinc/68/15/05/418681505.db2.gz GLXPIYYHTOFKPZ-KBPBESRZSA-N 0 3 316.380 1.919 20 10 DDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)c1 ZINC000370373053 418744050 /nfs/dbraw/zinc/74/40/50/418744050.db2.gz AYOWGXTZCMBOPR-GFCCVEGCSA-N 0 3 316.409 1.544 20 10 DDCDHN COc1cc(O)c(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1OC ZINC000368959085 418726724 /nfs/dbraw/zinc/72/67/24/418726724.db2.gz RFZKJSVNEAULNK-IETSOEAISA-N 0 3 320.389 1.495 20 10 DDCDHN CCN(Cc1cc(Br)ccc1O)C(=O)C1(N)CC1 ZINC000236915415 521284970 /nfs/dbraw/zinc/28/49/70/521284970.db2.gz RPAIGPBNOPUHHJ-UHFFFAOYSA-N 0 3 313.195 1.995 20 10 DDCDHN CN(C)CCN(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000267073990 524060373 /nfs/dbraw/zinc/06/03/73/524060373.db2.gz RHHXKMJEUIRGHO-UHFFFAOYSA-N 0 3 320.437 1.226 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000180773792 524743163 /nfs/dbraw/zinc/74/31/63/524743163.db2.gz SLTCRPLXNOFCJF-ZDUSSCGKSA-N 0 3 302.378 1.905 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000180773792 524743173 /nfs/dbraw/zinc/74/31/73/524743173.db2.gz SLTCRPLXNOFCJF-ZDUSSCGKSA-N 0 3 302.378 1.905 20 10 DDCDHN C[C@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CN1C1CC1 ZINC000180854137 524905303 /nfs/dbraw/zinc/90/53/03/524905303.db2.gz OHNBIYUWPGJCRP-TWICZNDLSA-N 0 3 302.374 1.852 20 10 DDCDHN O=C(CN1CCCC1)N1CCN(Cc2ccccc2O)CC1 ZINC000179569461 697439450 /nfs/dbraw/zinc/43/94/50/697439450.db2.gz JZPIFOGOXUNVAU-UHFFFAOYSA-N 0 3 303.406 1.132 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cc(C)nn2C)c1 ZINC000182461581 697475641 /nfs/dbraw/zinc/47/56/41/697475641.db2.gz YHMPJLJSJUXYTQ-NSHDSACASA-N 0 3 318.377 1.732 20 10 DDCDHN CCNS(=O)(=O)CCN[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000772979239 697700233 /nfs/dbraw/zinc/70/02/33/697700233.db2.gz PQUADUXXHQNIIR-HNNXBMFYSA-N 0 3 313.467 1.733 20 10 DDCDHN O=C(CNCc1cc2c(cc1O)OCO2)NCc1ccco1 ZINC000238123944 697817459 /nfs/dbraw/zinc/81/74/59/697817459.db2.gz CAEOXSGOVHYKEI-UHFFFAOYSA-N 0 3 304.302 1.120 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]CC1(OCCO)CCOCC1 ZINC000800310643 700215051 /nfs/dbraw/zinc/21/50/51/700215051.db2.gz FJPOCTIBEFJLMU-UHFFFAOYSA-N 0 3 311.378 1.049 20 10 DDCDHN [NH3+]C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCCO1 ZINC000313356135 698682304 /nfs/dbraw/zinc/68/23/04/698682304.db2.gz RMYRBDNBXNFEDO-GFCCVEGCSA-N 0 3 315.211 1.704 20 10 DDCDHN C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cc(F)ccc1[O-] ZINC000756606112 700631154 /nfs/dbraw/zinc/63/11/54/700631154.db2.gz LDSBIFKUPXVDMP-JTQLQIEISA-N 0 3 317.382 1.122 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000758570829 700714160 /nfs/dbraw/zinc/71/41/60/700714160.db2.gz AXGZGMKLRHWLGG-UHFFFAOYSA-N 0 3 314.389 1.949 20 10 DDCDHN CCOC(=O)C1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768437797 701176889 /nfs/dbraw/zinc/17/68/89/701176889.db2.gz HYLLNZMMVXEWPA-HNNXBMFYSA-N 0 3 321.373 1.593 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]2CCO)cc1 ZINC000839564960 701738433 /nfs/dbraw/zinc/73/84/33/701738433.db2.gz BYWBTXHPGZMRJJ-MRXNPFEDSA-N 0 3 305.422 1.216 20 10 DDCDHN C[C@H]1C[C@H]([NH2+]CCCn2cc(CO)nn2)c2c1c(F)ccc2[O-] ZINC000810243856 701746203 /nfs/dbraw/zinc/74/62/03/701746203.db2.gz LHRBPXPZSQIPPS-GWCFXTLKSA-N 0 3 320.368 1.843 20 10 DDCDHN C[C@@H]([NH2+]C[C@H]1CNCCO1)c1cc(Br)ccc1[O-] ZINC000817982813 702542762 /nfs/dbraw/zinc/54/27/62/702542762.db2.gz HVGLAHRHUUSVPC-MWLCHTKSSA-N 0 3 315.211 1.794 20 10 DDCDHN [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843123606 702824363 /nfs/dbraw/zinc/82/43/63/702824363.db2.gz SOIWJGUZDGBERZ-LLVKDONJSA-N 0 3 313.804 1.664 20 10 DDCDHN CC[C@H](C)[C@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[O-])C(=O)OC ZINC000879647658 706749167 /nfs/dbraw/zinc/74/91/67/706749167.db2.gz HJJDODSBJBXUSF-OZVIIMIRSA-N 0 3 322.405 1.747 20 10 DDCDHN C[C@@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1ccccc1[O-] ZINC000879648982 706749529 /nfs/dbraw/zinc/74/95/29/706749529.db2.gz INDLXJHRTITBGT-LLVKDONJSA-N 0 3 305.378 1.763 20 10 DDCDHN CC[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(C)cc1[O-] ZINC000850510964 703734492 /nfs/dbraw/zinc/73/44/92/703734492.db2.gz YTGUCVNLFKLFNT-DOTOQJQBSA-N 0 3 309.406 1.909 20 10 DDCDHN COc1ccc(N2CCN(C[C@@H](OC)[C@H]3CCOC3)CC2)cc1 ZINC000851714698 703835370 /nfs/dbraw/zinc/83/53/70/703835370.db2.gz TWJARHBEGJRXNK-MAUKXSAKSA-N 0 3 320.433 1.869 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)CC(F)F)C2)cc1 ZINC000852844029 704144928 /nfs/dbraw/zinc/14/49/28/704144928.db2.gz NNFFCPCMDBIMDQ-GWCFXTLKSA-N 0 3 313.348 1.373 20 10 DDCDHN CCN(CC)CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582284 704145164 /nfs/dbraw/zinc/14/51/64/704145164.db2.gz JSIBZSOOEYFETM-OAHLLOKOSA-N 0 3 319.449 1.980 20 10 DDCDHN CN(C)c1ccc(CN2CCC3(CNC(=O)N3C)CC2)cc1F ZINC000822529262 704968523 /nfs/dbraw/zinc/96/85/23/704968523.db2.gz BPXBKOCVQWEGQR-UHFFFAOYSA-N 0 3 320.412 1.881 20 10 DDCDHN COc1ccc(O)c(CN2CCC[C@H](NC(=O)N(C)C)C2)c1 ZINC000825278272 705638347 /nfs/dbraw/zinc/63/83/47/705638347.db2.gz AVIKPCHUNDCNQL-ZDUSSCGKSA-N 0 3 307.394 1.636 20 10 DDCDHN COc1cccc([O-])c1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000827515308 706017846 /nfs/dbraw/zinc/01/78/46/706017846.db2.gz BELUTMPCCKWLNB-UHFFFAOYSA-N 0 3 320.433 1.945 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000827515308 706017849 /nfs/dbraw/zinc/01/78/49/706017849.db2.gz BELUTMPCCKWLNB-UHFFFAOYSA-N 0 3 320.433 1.945 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC(c3nnnn3C)CC2)c([O-])c1 ZINC000877781331 706208808 /nfs/dbraw/zinc/20/88/08/706208808.db2.gz BNBPSLWBJHEZFO-UHFFFAOYSA-N 0 3 317.393 1.694 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]CCOCC(=O)OC(C)(C)C ZINC000865684372 706496304 /nfs/dbraw/zinc/49/63/04/706496304.db2.gz WDFJLGWIJHRWLI-UHFFFAOYSA-N 0 3 311.378 1.849 20 10 DDCDHN C[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCN1CCO ZINC000835044958 707161160 /nfs/dbraw/zinc/16/11/60/707161160.db2.gz DYNFPGKJGIZSLF-AWFCHZOYSA-N 0 3 303.450 1.764 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897261546 708272778 /nfs/dbraw/zinc/27/27/78/708272778.db2.gz IPELYVHZRMZHAK-ZDUSSCGKSA-N 0 3 307.390 1.907 20 10 DDCDHN CN(C)c1ccc([C@H](CNc2cc(=O)[n-]cn2)[NH+](C)C)cc1 ZINC000897523890 708362480 /nfs/dbraw/zinc/36/24/80/708362480.db2.gz YYGPCCCFBVLILB-AWEZNQCLSA-N 0 3 301.394 1.963 20 10 DDCDHN CC[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccccc1[O-] ZINC000897830137 708464242 /nfs/dbraw/zinc/46/42/42/708464242.db2.gz OABCFZBOONHPSD-CQSZACIVSA-N 0 3 312.435 1.859 20 10 DDCDHN C[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248700 710141319 /nfs/dbraw/zinc/14/13/19/710141319.db2.gz NBZKZSFTJXBRSD-IAOVAPTHSA-N 0 3 319.449 1.897 20 10 DDCDHN Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]n1 ZINC000891251167 710141797 /nfs/dbraw/zinc/14/17/97/710141797.db2.gz AGIRAWYELPDSBI-MRXNPFEDSA-N 0 3 315.421 1.817 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccnn2C)N(C)C)cc1 ZINC000891256307 710143944 /nfs/dbraw/zinc/14/39/44/710143944.db2.gz XGYWNGRONSMWGI-MRXNPFEDSA-N 0 3 315.421 1.519 20 10 DDCDHN O=c1cc(N2CC[C@H]([NH2+][C@H]3CCc4cccc(O)c43)C2)nc[n-]1 ZINC000903399248 711114658 /nfs/dbraw/zinc/11/46/58/711114658.db2.gz MNANBLPPCLIXEZ-STQMWFEESA-N 0 3 312.373 1.744 20 10 DDCDHN COc1ccc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)c(O)c1OC ZINC000894811722 711281186 /nfs/dbraw/zinc/28/11/86/711281186.db2.gz YRWYZQZSMOEORK-QWHCGFSZSA-N 0 3 320.389 1.652 20 10 DDCDHN COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cc(C)cc(OC)c2O)C1 ZINC000895087289 711403603 /nfs/dbraw/zinc/40/36/03/711403603.db2.gz CCHTVCJQDCLNMG-CHWSQXEVSA-N 0 3 309.362 1.065 20 10 DDCDHN CON1CC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000905753570 712139288 /nfs/dbraw/zinc/13/92/88/712139288.db2.gz ATOPDOOAKDVIAM-CZUORRHYSA-N 0 3 319.405 1.336 20 10 DDCDHN COCCOC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000908460464 712779482 /nfs/dbraw/zinc/77/94/82/712779482.db2.gz UOBSKEROTDEZQB-OAHLLOKOSA-N 0 3 309.410 1.728 20 10 DDCDHN [NH3+]CC[C@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000926167780 715020613 /nfs/dbraw/zinc/02/06/13/715020613.db2.gz BVOMSDURMWSDQE-JTQLQIEISA-N 0 3 309.263 1.610 20 10 DDCDHN CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203561967 743805293 /nfs/dbraw/zinc/80/52/93/743805293.db2.gz ACQSQGNEDVMQME-OAHLLOKOSA-N 0 3 306.406 1.852 20 10 DDCDHN CCN(C)C(=O)CO[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203561967 743805299 /nfs/dbraw/zinc/80/52/99/743805299.db2.gz ACQSQGNEDVMQME-OAHLLOKOSA-N 0 3 306.406 1.852 20 10 DDCDHN C[C@@H](C(=O)N1CCCc2cc(O)c(O)cc2C1)N1CCCC1 ZINC001180576719 779815184 /nfs/dbraw/zinc/81/51/84/779815184.db2.gz APSOKXJWCWROKH-LBPRGKRZSA-N 0 3 304.390 1.857 20 10 DDCDHN C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]2CC1 ZINC001276009537 854148821 /nfs/dbraw/zinc/14/88/21/854148821.db2.gz YJZWHMMTXHGBTM-OKILXGFUSA-N 0 3 304.390 1.864 20 10 DDCDHN C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]2CC1 ZINC001276009537 854148825 /nfs/dbraw/zinc/14/88/25/854148825.db2.gz YJZWHMMTXHGBTM-OKILXGFUSA-N 0 3 304.390 1.864 20 10 DDCDHN C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]2CC1 ZINC001276009537 854148829 /nfs/dbraw/zinc/14/88/29/854148829.db2.gz YJZWHMMTXHGBTM-OKILXGFUSA-N 0 3 304.390 1.864 20 10 DDCDHN C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]2CC1 ZINC001276009537 854148831 /nfs/dbraw/zinc/14/88/31/854148831.db2.gz YJZWHMMTXHGBTM-OKILXGFUSA-N 0 3 304.390 1.864 20 10 DDCDHN COc1cc(O)c(CN2CCN(CC3CC3)CC2)c(OC)c1 ZINC001141028375 860765684 /nfs/dbraw/zinc/76/56/84/860765684.db2.gz MNCXYEKHGITTQT-UHFFFAOYSA-N 0 3 306.406 1.937 20 10 DDCDHN COc1cc(O)c(CN2CCC(N(C)C(C)=O)CC2)c(OC)c1 ZINC001141029040 860766406 /nfs/dbraw/zinc/76/64/06/860766406.db2.gz ILERLWZQQWYOHS-UHFFFAOYSA-N 0 3 322.405 1.852 20 10 DDCDHN COc1cc([O-])c(C[NH+]2CCC(N(C)C(C)=O)CC2)c(OC)c1 ZINC001141029040 860766410 /nfs/dbraw/zinc/76/64/10/860766410.db2.gz ILERLWZQQWYOHS-UHFFFAOYSA-N 0 3 322.405 1.852 20 10 DDCDHN COc1cc(O)c(CN(C)[C@H]2CCCN(C(C)=O)C2)c(OC)c1 ZINC001141030876 860767511 /nfs/dbraw/zinc/76/75/11/860767511.db2.gz OWPWCCCLDNZUDZ-ZDUSSCGKSA-N 0 3 322.405 1.852 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c(OC)c1 ZINC001141035023 860770564 /nfs/dbraw/zinc/77/05/64/860770564.db2.gz ZBTPCJQTZIIJCA-KRWDZBQOSA-N 0 3 320.389 1.512 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@]3(CCNC3=O)C2)c(OC)c1 ZINC001141035023 860770570 /nfs/dbraw/zinc/77/05/70/860770570.db2.gz ZBTPCJQTZIIJCA-KRWDZBQOSA-N 0 3 320.389 1.512 20 10 DDCDHN OC[C@@H]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)C[C@H]1O ZINC001141074448 860782450 /nfs/dbraw/zinc/78/24/50/860782450.db2.gz HXDUPYRHMUOULH-ZWKOTPCHSA-N 0 3 316.445 1.561 20 10 DDCDHN CN1CCO[C@H]2CN(Cc3ccc(N4CCCC4)cc3)C[C@H]21 ZINC001204327815 871056660 /nfs/dbraw/zinc/05/66/60/871056660.db2.gz JHAAAXYKDNDEPW-MSOLQXFVSA-N 0 3 301.434 1.802 20 10 DDCDHN COc1cc(C)c(CN2CCN(c3cnn(C)c3)CC2)c(O)c1 ZINC001308624674 871517606 /nfs/dbraw/zinc/51/76/06/871517606.db2.gz SFQADCWAZCMXJY-UHFFFAOYSA-N 0 3 316.405 1.765 20 10 DDCDHN COc1cc(CN2CC[C@@](CO)(C(F)(F)F)C2)c(O)cc1O ZINC001231634307 885773155 /nfs/dbraw/zinc/77/31/55/885773155.db2.gz LBGKXSLQRBPUHV-CYBMUJFWSA-N 0 3 321.295 1.853 20 10 DDCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234987326 888306757 /nfs/dbraw/zinc/30/67/57/888306757.db2.gz FQNWARQUQINLDM-CQSZACIVSA-N 0 3 315.339 1.548 20 10 DDCDHN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC001292122902 913618827 /nfs/dbraw/zinc/61/88/27/913618827.db2.gz XYNJQQSZBCGHCP-LBPRGKRZSA-N 0 3 301.350 1.816 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@H](CO)[C@@H](O)C3)ccc2O1 ZINC001249223469 893878679 /nfs/dbraw/zinc/87/86/79/893878679.db2.gz HJUURGBGAHKXDP-ZFWWWQNUSA-N 0 3 319.401 1.752 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@H](CO)[C@@H](O)C3)ccc2O1 ZINC001249223469 893878695 /nfs/dbraw/zinc/87/86/95/893878695.db2.gz HJUURGBGAHKXDP-ZFWWWQNUSA-N 0 3 319.401 1.752 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c([O-])c1 ZINC001249224058 893878776 /nfs/dbraw/zinc/87/87/76/893878776.db2.gz RZYPPLMITXCKDQ-DZGCQCFKSA-N 0 3 317.385 1.909 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c([O-])c1 ZINC001249224058 893878794 /nfs/dbraw/zinc/87/87/94/893878794.db2.gz RZYPPLMITXCKDQ-DZGCQCFKSA-N 0 3 317.385 1.909 20 10 DDCDHN Cc1cc(O)c(CN[C@H]2CCN(c3ccn(C)n3)C2=O)cc1C ZINC000369673564 223623274 /nfs/dbraw/zinc/62/32/74/223623274.db2.gz ZNAXARICVVRGAS-AWEZNQCLSA-N 0 3 314.389 1.638 20 10 DDCDHN C[C@@H](N)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000284735877 131107806 /nfs/dbraw/zinc/10/78/06/131107806.db2.gz ZOAVQHPOBOVYGH-SDDRHHMPSA-N 0 3 309.385 1.403 20 10 DDCDHN CCS(=O)(=O)N1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226584367 407620171 /nfs/dbraw/zinc/62/01/71/407620171.db2.gz PVXNBWOERNVSNZ-UHFFFAOYSA-N 0 3 316.398 1.435 20 10 DDCDHN COc1ccc(N2CCCN(C[C@H](O)CSC)CC2)cc1 ZINC000187839644 407897692 /nfs/dbraw/zinc/89/76/92/407897692.db2.gz TYUZCCICORRGCG-HNNXBMFYSA-N 0 3 310.463 1.931 20 10 DDCDHN CN1CCC([N@H+](CCO)Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000155493409 408170903 /nfs/dbraw/zinc/17/09/03/408170903.db2.gz SYZVGUHPWILENA-UHFFFAOYSA-N 0 3 308.378 1.009 20 10 DDCDHN CN1CCC([N@@H+](CCO)Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000155493409 408170909 /nfs/dbraw/zinc/17/09/09/408170909.db2.gz SYZVGUHPWILENA-UHFFFAOYSA-N 0 3 308.378 1.009 20 10 DDCDHN Oc1cc2c(cc1CN1CCS[C@@H]3COCC[C@H]31)OCO2 ZINC000268998521 408222551 /nfs/dbraw/zinc/22/25/51/408222551.db2.gz XKWAAKRWOBFAMR-IAQYHMDHSA-N 0 3 309.387 1.827 20 10 DDCDHN CN1CCCc2cc(CNC(=O)[C@H](N)C3CCOCC3)ccc21 ZINC000282855871 409068685 /nfs/dbraw/zinc/06/86/85/409068685.db2.gz XTTBZPFQDUSIQI-QGZVFWFLSA-N 0 3 317.433 1.439 20 10 DDCDHN C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(F)ccc1[O-] ZINC000282711649 409062000 /nfs/dbraw/zinc/06/20/00/409062000.db2.gz LLRXFFSDRHLQDN-LBPRGKRZSA-N 0 3 313.369 1.740 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000282769561 409063898 /nfs/dbraw/zinc/06/38/98/409063898.db2.gz NYQVCKWZNFAPLR-KRWDZBQOSA-N 0 3 319.449 1.903 20 10 DDCDHN C[C@H](O)CN1CCN(Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 ZINC000284529126 409348880 /nfs/dbraw/zinc/34/88/80/409348880.db2.gz ZUFNQTHCESAANK-KGLIPLIRSA-N 0 3 309.429 1.779 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000296639559 409628526 /nfs/dbraw/zinc/62/85/26/409628526.db2.gz XZXVUXLXOHSHEJ-RYUDHWBXSA-N 0 3 300.424 1.679 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000296514649 409595730 /nfs/dbraw/zinc/59/57/30/409595730.db2.gz PQSOGJSAXPCAEB-MWLCHTKSSA-N 0 3 304.387 1.510 20 10 DDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c1[O-] ZINC000366541905 418486640 /nfs/dbraw/zinc/48/66/40/418486640.db2.gz AVKBCKSBLPKWDU-VXGBXAGGSA-N 0 3 308.765 1.449 20 10 DDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c1[O-] ZINC000366541905 418486642 /nfs/dbraw/zinc/48/66/42/418486642.db2.gz AVKBCKSBLPKWDU-VXGBXAGGSA-N 0 3 308.765 1.449 20 10 DDCDHN Cc1ccc([O-])c(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1 ZINC000371333896 418779686 /nfs/dbraw/zinc/77/96/86/418779686.db2.gz WTTHRMRCHMWQTR-QGZVFWFLSA-N 0 3 317.389 1.511 20 10 DDCDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCc1ccc(N)cc1 ZINC000372572121 418884715 /nfs/dbraw/zinc/88/47/15/418884715.db2.gz OFKSTOHAEQJICZ-HDMKZQKVSA-N 0 3 317.433 1.460 20 10 DDCDHN CS(=O)(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000297581063 277496843 /nfs/dbraw/zinc/49/68/43/277496843.db2.gz HCXWPCJTTHQBRT-QWHCGFSZSA-N 0 3 310.419 1.393 20 10 DDCDHN C[C@H](N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)O ZINC000295126834 279391051 /nfs/dbraw/zinc/39/10/51/279391051.db2.gz JKCMHTJKOBPRFT-AWEZNQCLSA-N 0 3 321.465 1.802 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000363766557 332243975 /nfs/dbraw/zinc/24/39/75/332243975.db2.gz IHMKXNQHDKIEHS-UONOGXRCSA-N 0 3 306.406 1.868 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000363766557 332243977 /nfs/dbraw/zinc/24/39/77/332243977.db2.gz IHMKXNQHDKIEHS-UONOGXRCSA-N 0 3 306.406 1.868 20 10 DDCDHN CN1CCC[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000154149028 523827430 /nfs/dbraw/zinc/82/74/30/523827430.db2.gz YYQZQADOTXDSRG-QGZVFWFLSA-N 0 3 314.433 1.956 20 10 DDCDHN C[C@H]1CCCN(CCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180932022 524087211 /nfs/dbraw/zinc/08/72/11/524087211.db2.gz JRSIGIQWEPBGLK-IYNGYCSASA-N 0 3 304.390 1.959 20 10 DDCDHN Cc1cccc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c1O ZINC000180616782 524395786 /nfs/dbraw/zinc/39/57/86/524395786.db2.gz QTFFBZJFSRUSEE-MRXNPFEDSA-N 0 3 317.433 1.439 20 10 DDCDHN C[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CN1C1CC1 ZINC000180854175 524791756 /nfs/dbraw/zinc/79/17/56/524791756.db2.gz OHNBIYUWPGJCRP-LXDSGBGESA-N 0 3 302.374 1.852 20 10 DDCDHN CCN(C)C(=O)CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000178184325 697421616 /nfs/dbraw/zinc/42/16/16/697421616.db2.gz WVSBMIZJYSZBFA-UHFFFAOYSA-N 0 3 305.422 1.686 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cc(C)on2)c1 ZINC000182361336 697473897 /nfs/dbraw/zinc/47/38/97/697473897.db2.gz ZMTILZILEOORQO-JTQLQIEISA-N 0 3 305.334 1.987 20 10 DDCDHN C[C@@H](NCC(=O)N1CCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000775835617 698042934 /nfs/dbraw/zinc/04/29/34/698042934.db2.gz VJZXOCKNYZGOTB-ZIAGYGMSSA-N 0 3 305.422 1.651 20 10 DDCDHN COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440878 701176851 /nfs/dbraw/zinc/17/68/51/701176851.db2.gz USKPSAWJWDGUKL-SWLSCSKDSA-N 0 3 321.373 1.736 20 10 DDCDHN COC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768440878 701176852 /nfs/dbraw/zinc/17/68/52/701176852.db2.gz USKPSAWJWDGUKL-SWLSCSKDSA-N 0 3 321.373 1.736 20 10 DDCDHN CN(C)C(=O)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768442983 701177542 /nfs/dbraw/zinc/17/75/42/701177542.db2.gz UZIWBPDHMFWEOY-OAHLLOKOSA-N 0 3 320.389 1.118 20 10 DDCDHN CCOc1cccc(CN2CCC[C@@H]2CS(N)(=O)=O)c1O ZINC000769427119 701244727 /nfs/dbraw/zinc/24/47/27/701244727.db2.gz GSEFHFXYVSVPIO-GFCCVEGCSA-N 0 3 314.407 1.044 20 10 DDCDHN CN(C)c1ccc(CN2CCN(C(C)(C)CO)CC2)cc1F ZINC000769446732 701245129 /nfs/dbraw/zinc/24/51/29/701245129.db2.gz SWSDRJXROVQZFZ-UHFFFAOYSA-N 0 3 309.429 1.780 20 10 DDCDHN CC[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1O ZINC000770380663 701275699 /nfs/dbraw/zinc/27/56/99/701275699.db2.gz NIIMQBLAZPDQKL-WMLDXEAASA-N 0 3 308.397 1.865 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000770380368 701275718 /nfs/dbraw/zinc/27/57/18/701275718.db2.gz HHRVWIWHEYIDNJ-UHFFFAOYSA-N 0 3 302.378 1.905 20 10 DDCDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841033639 702317848 /nfs/dbraw/zinc/31/78/48/702317848.db2.gz YTVYPLMVCUSRJS-BETUJISGSA-N 0 3 318.421 1.586 20 10 DDCDHN CC[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000843488105 702891586 /nfs/dbraw/zinc/89/15/86/702891586.db2.gz QVUJCHWMRAPZNU-SJORKVTESA-N 0 3 319.449 1.998 20 10 DDCDHN CN1CCN(c2ccc(CN3C[C@@H]4C[C@H]3C[S@@]4=O)cc2)CC1 ZINC000846102415 703238302 /nfs/dbraw/zinc/23/83/02/703238302.db2.gz FWXIJHHONSPNJD-HOIFWPIMSA-N 0 3 319.474 1.144 20 10 DDCDHN CN1CCN(c2ccc(CN3C[C@@H]4C[C@H]3C[S@]4=O)cc2)CC1 ZINC000846102414 703238417 /nfs/dbraw/zinc/23/84/17/703238417.db2.gz FWXIJHHONSPNJD-PNLZDCPESA-N 0 3 319.474 1.144 20 10 DDCDHN COc1cccc([C@@H](C)NCc2ccc(C(N)=O)nc2)c1O ZINC000846144320 703242334 /nfs/dbraw/zinc/24/23/34/703242334.db2.gz CEGIDEBUQXIOOM-SNVBAGLBSA-N 0 3 301.346 1.746 20 10 DDCDHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1cccc(OC)c1O ZINC000846151072 703243324 /nfs/dbraw/zinc/24/33/24/703243324.db2.gz UUJHCKAYULVMRZ-GHMZBOCLSA-N 0 3 301.408 1.875 20 10 DDCDHN COc1ccc(N2CCN(C[C@@H]3CCOC3)CC2)c(OC)c1 ZINC000846752497 703326737 /nfs/dbraw/zinc/32/67/37/703326737.db2.gz BCMSBHJTJBRCQL-AWEZNQCLSA-N 0 3 306.406 1.862 20 10 DDCDHN CCc1cccc(CN2CCC[C@@H](S(=O)(=O)NC)C2)c1O ZINC000848886650 703598289 /nfs/dbraw/zinc/59/82/89/703598289.db2.gz GYZNVVSOPZQTOT-CQSZACIVSA-N 0 3 312.435 1.468 20 10 DDCDHN Cc1nn(C)cc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406001 703729879 /nfs/dbraw/zinc/72/98/79/703729879.db2.gz NRUGRPWHVRCKGV-UHFFFAOYSA-N 0 3 314.433 1.979 20 10 DDCDHN CCN(CC)c1ccc(CN2CCOC3(CNC3)C2)cc1F ZINC000853248351 704224421 /nfs/dbraw/zinc/22/44/21/704224421.db2.gz DMQJILSEKZWQST-UHFFFAOYSA-N 0 3 307.413 1.846 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@H]2CCS(=O)(=O)C2)cc1F ZINC000858090546 704664856 /nfs/dbraw/zinc/66/48/56/704664856.db2.gz IKWKBFOVWPHGDJ-SNVBAGLBSA-N 0 3 318.389 1.555 20 10 DDCDHN COCC(C)(C)N1CCN(Cc2cccc(OC)c2O)CC1 ZINC000822497579 704960739 /nfs/dbraw/zinc/96/07/39/704960739.db2.gz GMTVUNXKXJUHFD-UHFFFAOYSA-N 0 3 308.422 1.943 20 10 DDCDHN NC(=O)c1cn(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)nn1 ZINC000862483729 705721549 /nfs/dbraw/zinc/72/15/49/705721549.db2.gz RVHSDYULAZSZNU-UHFFFAOYSA-N 0 3 319.340 1.059 20 10 DDCDHN Cc1cccc([O-])c1C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000877654073 706171415 /nfs/dbraw/zinc/17/14/15/706171415.db2.gz VDIVTRDSRIUETR-UHFFFAOYSA-N 0 3 315.377 1.228 20 10 DDCDHN C[C@@H](O)[C@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000865739978 706511796 /nfs/dbraw/zinc/51/17/96/706511796.db2.gz YRCOOIOPORFBCY-NOZJJQNGSA-N 0 3 306.328 1.603 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000897020097 708209736 /nfs/dbraw/zinc/20/97/36/708209736.db2.gz XIVUEZCUHWBTNP-UHFFFAOYSA-N 0 3 306.362 1.865 20 10 DDCDHN COc1ccc(O)c(C[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000898156537 708559745 /nfs/dbraw/zinc/55/97/45/708559745.db2.gz XEKTZONJVPKNLH-GFCCVEGCSA-N 0 3 316.361 1.265 20 10 DDCDHN C[C@H](O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100534 708982942 /nfs/dbraw/zinc/98/29/42/708982942.db2.gz AEUAUVAUFVTPMZ-WFASDCNBSA-N 0 3 308.426 1.035 20 10 DDCDHN C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000899810862 709203296 /nfs/dbraw/zinc/20/32/96/709203296.db2.gz SCHKESVBRUYCEW-LBPRGKRZSA-N 0 3 313.357 1.844 20 10 DDCDHN O=C(Cc1c[nH]cn1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000901176255 709956399 /nfs/dbraw/zinc/95/63/99/709956399.db2.gz OWMOGUDQYHCWAY-OAHLLOKOSA-N 0 3 315.373 1.866 20 10 DDCDHN COC1CC(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891247830 710141122 /nfs/dbraw/zinc/14/11/22/710141122.db2.gz VNDINUPPUZBWFK-PREGVCBESA-N 0 3 319.449 1.897 20 10 DDCDHN COCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255929 710143854 /nfs/dbraw/zinc/14/38/54/710143854.db2.gz SSKNZHVSONUZCC-MRXNPFEDSA-N 0 3 307.438 1.898 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CCCn2ccc(=O)[nH]c2=O)c([O-])c1 ZINC000903432582 711125189 /nfs/dbraw/zinc/12/51/89/711125189.db2.gz PNISXDGAQRIWHC-LBPRGKRZSA-N 0 3 303.362 1.704 20 10 DDCDHN CC1=NO[C@@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895301143 711479029 /nfs/dbraw/zinc/47/90/29/711479029.db2.gz GFQFQFPALACOCJ-QGZVFWFLSA-N 0 3 303.406 1.902 20 10 DDCDHN CN(C)c1ccc(CN[C@H]2C(=O)NCC23CCOCC3)cc1 ZINC000895772498 711603039 /nfs/dbraw/zinc/60/30/39/711603039.db2.gz FYLXQZWJTLSLNT-HNNXBMFYSA-N 0 3 303.406 1.137 20 10 DDCDHN [NH3+][C@@]1(CO)CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000904402559 711853295 /nfs/dbraw/zinc/85/32/95/711853295.db2.gz RWRVKENROZUMHK-ZDUSSCGKSA-N 0 3 315.211 1.440 20 10 DDCDHN CC(C)(CNCc1ccc2c(c1)CCCO2)NS(C)(=O)=O ZINC000921721503 713853621 /nfs/dbraw/zinc/85/36/21/713853621.db2.gz JIEXLDRMPNZMAF-UHFFFAOYSA-N 0 3 312.435 1.429 20 10 DDCDHN CC(C)C[C@@H](C(N)=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000931706338 714165850 /nfs/dbraw/zinc/16/58/50/714165850.db2.gz FRYLJXVHQMWOKX-KRWDZBQOSA-N 0 3 319.449 1.855 20 10 DDCDHN C[C@H]1COC[C@@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000932502302 714348675 /nfs/dbraw/zinc/34/86/75/714348675.db2.gz VERRNGNVUXWXRW-BBRMVZONSA-N 0 3 305.422 1.336 20 10 DDCDHN CCN1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](O)C1 ZINC001090839475 772255102 /nfs/dbraw/zinc/25/51/02/772255102.db2.gz MTZKABXFAHQRTH-CHWSQXEVSA-N 0 3 319.365 1.034 20 10 DDCDHN CN(CCCF)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267233910 837575948 /nfs/dbraw/zinc/57/59/48/837575948.db2.gz WZINAUVEODEFTF-UHFFFAOYSA-N 0 3 309.345 1.870 20 10 DDCDHN Cc1c(O)ccc(CN2CCN(C[C@@H]3CCCO3)CC2)c1O ZINC001140745215 860690174 /nfs/dbraw/zinc/69/01/74/860690174.db2.gz ALCZQCQFMFQXDG-HNNXBMFYSA-N 0 3 306.406 1.703 20 10 DDCDHN COC(=O)[C@@H]1CN(Cc2ccc3c(c2)OCCN3C)CC12CC2 ZINC001141146330 860795135 /nfs/dbraw/zinc/79/51/35/860795135.db2.gz SKZOJYYCPCQUDG-AWEZNQCLSA-N 0 3 316.401 1.900 20 10 DDCDHN CN1CCN(c2ccc(CNc3ncnc4c3CNC4)cc2)CC1 ZINC001156655488 863233736 /nfs/dbraw/zinc/23/37/36/863233736.db2.gz DXIHDJNFOCFLBW-UHFFFAOYSA-N 0 3 324.432 1.444 20 10 DDCDHN COc1ccc(CNC/C=C/CNC(=O)CC(C)(C)O)cc1C ZINC001321040447 867251599 /nfs/dbraw/zinc/25/15/99/867251599.db2.gz YEKYNOFURQJLAX-AATRIKPKSA-N 0 3 320.433 1.927 20 10 DDCDHN CCOc1cccc(CN2CCC[C@H](NC(=O)NC)C2)c1O ZINC001203617379 870674465 /nfs/dbraw/zinc/67/44/65/870674465.db2.gz PDQNQTZNPBSLET-ZDUSSCGKSA-N 0 3 307.394 1.684 20 10 DDCDHN CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccc(O)cc3[O-])C[C@H]21 ZINC001204273314 871032121 /nfs/dbraw/zinc/03/21/21/871032121.db2.gz NYCGCLHUKPVKNS-IJEWVQPXSA-N 0 3 320.389 1.071 20 10 DDCDHN CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]21 ZINC001204273314 871032138 /nfs/dbraw/zinc/03/21/38/871032138.db2.gz NYCGCLHUKPVKNS-IJEWVQPXSA-N 0 3 320.389 1.071 20 10 DDCDHN COc1c([O-])c(CN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC001207691816 873482965 /nfs/dbraw/zinc/48/29/65/873482965.db2.gz RVCOFGHULYAIAO-WBMJQRKESA-N 0 3 321.377 1.693 20 10 DDCDHN COc1c([O-])c(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC001207691816 873482968 /nfs/dbraw/zinc/48/29/68/873482968.db2.gz RVCOFGHULYAIAO-WBMJQRKESA-N 0 3 321.377 1.693 20 10 DDCDHN CN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(O)cc1[O-] ZINC001277193111 882932017 /nfs/dbraw/zinc/93/20/17/882932017.db2.gz YFFTYJXENGQXDA-LZJQFABFSA-N 0 3 304.390 1.690 20 10 DDCDHN NC(=O)[C@H](N)CCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217739483 877302736 /nfs/dbraw/zinc/30/27/36/877302736.db2.gz ZAYMRMDFNJGYOG-CYBMUJFWSA-N 0 3 311.345 1.273 20 10 DDCDHN Cc1ccc(C[N@@H+]2C[C@H]3CCCO[C@H]3[C@@H](C(N)=O)C2)c([O-])c1 ZINC001277567800 885882178 /nfs/dbraw/zinc/88/21/78/885882178.db2.gz IAZXUDLEUTXMKF-IJEWVQPXSA-N 0 3 304.390 1.413 20 10 DDCDHN Cc1ccc(C[N@H+]2C[C@H]3CCCO[C@H]3[C@@H](C(N)=O)C2)c([O-])c1 ZINC001277567800 885882190 /nfs/dbraw/zinc/88/21/90/885882190.db2.gz IAZXUDLEUTXMKF-IJEWVQPXSA-N 0 3 304.390 1.413 20 10 DDCDHN CCN(CCN1CCOCC1)Cc1ccc(N(C)C)cc1OC ZINC001231855637 885910902 /nfs/dbraw/zinc/91/09/02/885910902.db2.gz XPLZGSIGDXWMKC-UHFFFAOYSA-N 0 3 321.465 1.915 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1[O-] ZINC001233289986 886900809 /nfs/dbraw/zinc/90/08/09/886900809.db2.gz BIASORSVPJJZOE-JOYOIKCWSA-N 0 3 310.781 1.622 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1[O-] ZINC001233289986 886900816 /nfs/dbraw/zinc/90/08/16/886900816.db2.gz BIASORSVPJJZOE-JOYOIKCWSA-N 0 3 310.781 1.622 20 10 DDCDHN Cn1ccc(C2CCN(Cc3cc(O)c(O)cc3O)CC2)n1 ZINC001233486897 887021544 /nfs/dbraw/zinc/02/15/44/887021544.db2.gz HKMPLIIRLUETOF-UHFFFAOYSA-N 0 3 303.362 1.917 20 10 DDCDHN COc1cc(C)c(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c([O-])c1 ZINC001236806860 889363756 /nfs/dbraw/zinc/36/37/56/889363756.db2.gz BPVKCWBXBRAZSO-ZDUSSCGKSA-N 0 3 307.390 1.825 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001249173035 893849305 /nfs/dbraw/zinc/84/93/05/893849305.db2.gz QAUJFPFNIYCPQL-UONOGXRCSA-N 0 3 311.353 1.403 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001249173035 893849321 /nfs/dbraw/zinc/84/93/21/893849321.db2.gz QAUJFPFNIYCPQL-UONOGXRCSA-N 0 3 311.353 1.403 20 10 DDCDHN CC[N@H+](CCCC(=O)OC)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249171228 893850154 /nfs/dbraw/zinc/85/01/54/893850154.db2.gz AOOKHFMWWMGGNR-UHFFFAOYSA-N 0 3 323.389 1.883 20 10 DDCDHN CC[N@@H+](CCCC(=O)OC)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249171228 893850165 /nfs/dbraw/zinc/85/01/65/893850165.db2.gz AOOKHFMWWMGGNR-UHFFFAOYSA-N 0 3 323.389 1.883 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c([O-])c1 ZINC001249201060 893861486 /nfs/dbraw/zinc/86/14/86/893861486.db2.gz CHKXMEHWLZHKSV-HNNXBMFYSA-N 0 3 320.389 1.208 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](NC(C)=O)C2)c([O-])c1 ZINC001249201060 893861506 /nfs/dbraw/zinc/86/15/06/893861506.db2.gz CHKXMEHWLZHKSV-HNNXBMFYSA-N 0 3 320.389 1.208 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)c1 ZINC000275481819 130327705 /nfs/dbraw/zinc/32/77/05/130327705.db2.gz IKUJZBLVVVWVLY-ZFWWWQNUSA-N 0 3 303.362 1.754 20 10 DDCDHN CCCN(Cc1ccccc1O)C(=O)[C@@H](N)CCC(=O)OC ZINC000288778364 131338643 /nfs/dbraw/zinc/33/86/43/131338643.db2.gz PUMXUKMAZXPVFR-ZDUSSCGKSA-N 0 3 308.378 1.411 20 10 DDCDHN C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(F)ccc1[O-] ZINC000186055006 407569134 /nfs/dbraw/zinc/56/91/34/407569134.db2.gz SWDKTLNJCUETTD-IINYFYTJSA-N 0 3 318.352 1.721 20 10 DDCDHN COc1cccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000093664960 407200691 /nfs/dbraw/zinc/20/06/91/407200691.db2.gz ZLDGTVMMLROKNQ-CQSZACIVSA-N 0 3 306.406 1.555 20 10 DDCDHN COc1cccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000093664960 407200695 /nfs/dbraw/zinc/20/06/95/407200695.db2.gz ZLDGTVMMLROKNQ-CQSZACIVSA-N 0 3 306.406 1.555 20 10 DDCDHN C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000186078091 407572673 /nfs/dbraw/zinc/57/26/73/407572673.db2.gz FYLAZFFSRCCQAR-JTQLQIEISA-N 0 3 305.371 1.243 20 10 DDCDHN O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(O)c1[O-] ZINC000187110076 407822154 /nfs/dbraw/zinc/82/21/54/407822154.db2.gz QAEQRTHJECSQMT-GFCCVEGCSA-N 0 3 320.389 1.329 20 10 DDCDHN COc1ccc(N2CCN(C(=O)CN(C)C3CCC3)CC2)cc1 ZINC000173919728 407903654 /nfs/dbraw/zinc/90/36/54/407903654.db2.gz PLCGJSPBBYJVEJ-UHFFFAOYSA-N 0 3 317.433 1.828 20 10 DDCDHN COc1ccc(O)c(CN2CCC(N3CCNC3=O)CC2)c1 ZINC000183389001 408394254 /nfs/dbraw/zinc/39/42/54/408394254.db2.gz KGEZALCUCPQWMJ-UHFFFAOYSA-N 0 3 305.378 1.390 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c1 ZINC000185002660 408735352 /nfs/dbraw/zinc/73/53/52/408735352.db2.gz OLODIKSLNXYFHA-LLVKDONJSA-N 0 3 308.378 1.334 20 10 DDCDHN CC(C)(C)[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000165186078 408809081 /nfs/dbraw/zinc/80/90/81/408809081.db2.gz LDMICJNGYPKEMW-OAHLLOKOSA-N 0 3 305.422 1.513 20 10 DDCDHN CCCC[N@H+](CCN1C(=O)CNC1=O)Cc1ccccc1[O-] ZINC000282548972 409057347 /nfs/dbraw/zinc/05/73/47/409057347.db2.gz WXDGOXKSAZGJRG-UHFFFAOYSA-N 0 3 305.378 1.546 20 10 DDCDHN CCCC[N@@H+](CCN1C(=O)CNC1=O)Cc1ccccc1[O-] ZINC000282548972 409057350 /nfs/dbraw/zinc/05/73/50/409057350.db2.gz WXDGOXKSAZGJRG-UHFFFAOYSA-N 0 3 305.378 1.546 20 10 DDCDHN CCOc1cccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000290228934 409329931 /nfs/dbraw/zinc/32/99/31/409329931.db2.gz YDHAGGWNJVGHNB-GFCCVEGCSA-N 0 3 313.419 1.705 20 10 DDCDHN Cc1cccc(CN2CC[C@H](S(=O)(=O)NC3CC3)C2)c1O ZINC000367725817 418627440 /nfs/dbraw/zinc/62/74/40/418627440.db2.gz RTUOHJTWRFPXEO-AWEZNQCLSA-N 0 3 310.419 1.357 20 10 DDCDHN COc1ccc(N2CCC(N[C@@H](C)C(=O)NCCF)CC2)cc1 ZINC000368517580 418721561 /nfs/dbraw/zinc/72/15/61/418721561.db2.gz IROOPFFRFLZEEH-ZDUSSCGKSA-N 0 3 323.412 1.728 20 10 DDCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000368605836 418723087 /nfs/dbraw/zinc/72/30/87/418723087.db2.gz ZFKJRVBKCRHHDP-PBHICJAKSA-N 0 3 321.440 1.989 20 10 DDCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000368605836 418723090 /nfs/dbraw/zinc/72/30/90/418723090.db2.gz ZFKJRVBKCRHHDP-PBHICJAKSA-N 0 3 321.440 1.989 20 10 DDCDHN CCN1CCO[C@H](CN2CCN(Cc3ccccc3O)CC2)C1 ZINC000378493655 418723952 /nfs/dbraw/zinc/72/39/52/418723952.db2.gz IWXIYONMCDPXRJ-KRWDZBQOSA-N 0 3 319.449 1.231 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN(CC(=O)NC)CC1 ZINC000367360711 288166740 /nfs/dbraw/zinc/16/67/40/288166740.db2.gz JZRVAVFUXKZDGV-OAHLLOKOSA-N 0 3 305.422 1.597 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN(CC(=O)NC)CC1 ZINC000367360711 288166747 /nfs/dbraw/zinc/16/67/47/288166747.db2.gz JZRVAVFUXKZDGV-OAHLLOKOSA-N 0 3 305.422 1.597 20 10 DDCDHN CC[C@@H](c1ccccc1O)N1CCN2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000372596242 280219045 /nfs/dbraw/zinc/21/90/45/280219045.db2.gz SANJGCFVNVYWGT-STQMWFEESA-N 0 3 303.362 1.422 20 10 DDCDHN CCOc1ccc(O)c(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1 ZINC000284500774 535752205 /nfs/dbraw/zinc/75/22/05/535752205.db2.gz XPHKYTOMGKMQEO-UONOGXRCSA-N 0 3 308.422 1.678 20 10 DDCDHN CN1CCC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000748241966 700107790 /nfs/dbraw/zinc/10/77/90/700107790.db2.gz HTNICZHVSSMALX-OAHLLOKOSA-N 0 3 321.396 1.373 20 10 DDCDHN O=C1OCCN1CCN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000749295979 700155216 /nfs/dbraw/zinc/15/52/16/700155216.db2.gz DEELHKNVZWZUKY-HNNXBMFYSA-N 0 3 320.389 1.825 20 10 DDCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NC1CC1 ZINC000774482031 697884548 /nfs/dbraw/zinc/88/45/48/697884548.db2.gz DKVMUFAMERWHKI-RYUDHWBXSA-N 0 3 318.421 1.780 20 10 DDCDHN Cc1cccc(CN2CCN(Cc3cnn(C)c3)CC2)c1O ZINC000775678212 698021741 /nfs/dbraw/zinc/02/17/41/698021741.db2.gz BQUQUMIQWSOGOS-UHFFFAOYSA-N 0 3 300.406 1.752 20 10 DDCDHN COc1ccc(O)c(CN[C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000776229708 698085035 /nfs/dbraw/zinc/08/50/35/698085035.db2.gz AQECIJQACUNKMD-HNNXBMFYSA-N 0 3 320.389 1.270 20 10 DDCDHN COC[C@](C)(CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000777483436 698193629 /nfs/dbraw/zinc/19/36/29/698193629.db2.gz PFRQNMGKTDWNKS-ZDUSSCGKSA-N 0 3 318.211 1.950 20 10 DDCDHN COCCN1CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779514755 698429327 /nfs/dbraw/zinc/42/93/27/698429327.db2.gz MOGBHMOJTDPVOS-DYLGSBMWSA-N 0 3 320.389 1.338 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCCOC3)[C@@H](O)CO2 ZINC000789543852 699394124 /nfs/dbraw/zinc/39/41/24/699394124.db2.gz CNNKMLHPOXRODV-DOTOQJQBSA-N 0 3 305.374 1.821 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@]3(C1)CCCOC3)[C@@H](O)CO2 ZINC000789543852 699394128 /nfs/dbraw/zinc/39/41/28/699394128.db2.gz CNNKMLHPOXRODV-DOTOQJQBSA-N 0 3 305.374 1.821 20 10 DDCDHN O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc([O-])cs1 ZINC000736684685 699730582 /nfs/dbraw/zinc/73/05/82/699730582.db2.gz YMZHWLNFIRSEPC-LLVKDONJSA-N 0 3 310.419 1.684 20 10 DDCDHN CCOc1ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)c([O-])c1 ZINC000762786288 700906734 /nfs/dbraw/zinc/90/67/34/700906734.db2.gz LACGUGYVMAVPPR-UHFFFAOYSA-N 0 3 301.408 1.704 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000769493470 701247339 /nfs/dbraw/zinc/24/73/39/701247339.db2.gz STMTXCKJGLLRBK-CQSZACIVSA-N 0 3 306.406 1.555 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000769493470 701247340 /nfs/dbraw/zinc/24/73/40/701247340.db2.gz STMTXCKJGLLRBK-CQSZACIVSA-N 0 3 306.406 1.555 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC[C@@H]2CCCO2)c1 ZINC000839539025 701730029 /nfs/dbraw/zinc/73/00/29/701730029.db2.gz HIQCVPAWEFANNP-YPMHNXCESA-N 0 3 308.378 1.347 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](O)C2(C)C)cc1 ZINC000812865968 702253785 /nfs/dbraw/zinc/25/37/85/702253785.db2.gz UUNCJTCPPRHBIR-INIZCTEOSA-N 0 3 319.449 1.556 20 10 DDCDHN FC1(F)CCNC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000841075785 702336900 /nfs/dbraw/zinc/33/69/00/702336900.db2.gz WUQSZTUXUDHZNA-HNNXBMFYSA-N 0 3 311.376 1.610 20 10 DDCDHN CC(C)[C@H](CNC(=O)Nc1ccc(N)cc1)N1CCN(C)CC1 ZINC000841302045 702417537 /nfs/dbraw/zinc/41/75/37/702417537.db2.gz JUEUGAGOKCTUFM-INIZCTEOSA-N 0 3 319.453 1.662 20 10 DDCDHN CCOC(=O)[C@@H]1NCC[C@@H]1NCc1ccc(N(C)C)cc1C ZINC000817893686 702510586 /nfs/dbraw/zinc/51/05/86/702510586.db2.gz GNWBIFLCUSVMJT-JKSUJKDBSA-N 0 3 305.422 1.444 20 10 DDCDHN COCCN1CCC(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841740165 702553873 /nfs/dbraw/zinc/55/38/73/702553873.db2.gz GPHVNQCZCSABLJ-UHFFFAOYSA-N 0 3 320.437 1.221 20 10 DDCDHN C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000841891651 702608393 /nfs/dbraw/zinc/60/83/93/702608393.db2.gz NWPUFDRLBUWSSF-UONOGXRCSA-N 0 3 309.429 1.779 20 10 DDCDHN Cc1cc(O)c(CN(C)CC(=O)N2CCNCC2)c(Cl)c1 ZINC000843044078 702807510 /nfs/dbraw/zinc/80/75/10/702807510.db2.gz CHFBFIZLSSGFHM-UHFFFAOYSA-N 0 3 311.813 1.218 20 10 DDCDHN COC(=O)[C@@H]1C[C@H](O)CN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000843435612 702881861 /nfs/dbraw/zinc/88/18/61/702881861.db2.gz WJTUTWZHMMISTL-YPMHNXCESA-N 0 3 313.781 1.710 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CCCCC[C@H]2CO)cc1 ZINC000847018804 703366514 /nfs/dbraw/zinc/36/65/14/703366514.db2.gz ZNPXAJFXADYJKW-KRWDZBQOSA-N 0 3 319.449 1.606 20 10 DDCDHN CCN(CC(=O)NC(C)C)C(=O)CN[C@H](C)c1ccccc1O ZINC000879648967 706749734 /nfs/dbraw/zinc/74/97/34/706749734.db2.gz HSFTWUOGDBXBNK-CYBMUJFWSA-N 0 3 321.421 1.416 20 10 DDCDHN CCN(CC(=O)NC(C)C)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648967 706749736 /nfs/dbraw/zinc/74/97/36/706749736.db2.gz HSFTWUOGDBXBNK-CYBMUJFWSA-N 0 3 321.421 1.416 20 10 DDCDHN Cc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)n[nH]1 ZINC000850405846 703729918 /nfs/dbraw/zinc/72/99/18/703729918.db2.gz HKCANTGZYJDUNU-UHFFFAOYSA-N 0 3 300.406 1.969 20 10 DDCDHN COC(=O)NC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000853625256 704288989 /nfs/dbraw/zinc/28/89/89/704288989.db2.gz QUTKEKKWPRUSDY-UHFFFAOYSA-N 0 3 308.334 1.441 20 10 DDCDHN CC(=O)c1cc(F)cc(CN(C)[C@H]2CCC(=O)N(C)C2)c1O ZINC000821322428 704390444 /nfs/dbraw/zinc/39/04/44/704390444.db2.gz HGAOSBJWRVOBON-ZDUSSCGKSA-N 0 3 308.353 1.787 20 10 DDCDHN C[NH+](C)CCC[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000856430580 704528554 /nfs/dbraw/zinc/52/85/54/704528554.db2.gz ZBHWHSLADSIBBL-LBPRGKRZSA-N 0 3 308.378 1.281 20 10 DDCDHN COC[C@](C)(O)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000824559105 705479619 /nfs/dbraw/zinc/47/96/19/705479619.db2.gz FZXFNXNWWHPIID-CQSZACIVSA-N 0 3 303.786 1.931 20 10 DDCDHN Cc1ccc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c([O-])c1 ZINC000877654450 706171303 /nfs/dbraw/zinc/17/13/03/706171303.db2.gz YEWALFAZXOPSQN-UHFFFAOYSA-N 0 3 315.377 1.228 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccnn2C)c1[O-] ZINC000897302654 708284424 /nfs/dbraw/zinc/28/44/24/708284424.db2.gz TUASTGAMDZTVMR-GFCCVEGCSA-N 0 3 311.769 1.611 20 10 DDCDHN CCOC(=O)N1C[C@H](NCc2ccc(OC)c(C)c2)[C@@H](CO)C1 ZINC000898359041 708621407 /nfs/dbraw/zinc/62/14/07/708621407.db2.gz LXKDBGJDPDKRSI-CABCVRRESA-N 0 3 322.405 1.542 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c([O-])c1 ZINC000886737073 708829406 /nfs/dbraw/zinc/82/94/06/708829406.db2.gz ROPVWPQJORGORP-LBPRGKRZSA-N 0 3 312.435 1.775 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnn(C)c2)N(C)C)cc1 ZINC000891255455 710143628 /nfs/dbraw/zinc/14/36/28/710143628.db2.gz PPDWUGBSMUFAQE-MRXNPFEDSA-N 0 3 315.421 1.519 20 10 DDCDHN CN(C)c1ccc(CNC2CC(S(C)(=O)=O)C2)cc1F ZINC000892737716 710490550 /nfs/dbraw/zinc/49/05/50/710490550.db2.gz JAODYRZEVSSRFV-UHFFFAOYSA-N 0 3 300.399 1.557 20 10 DDCDHN COc1ccc(CNC(C)(C)CS(C)(=O)=O)c(O)c1OC ZINC000893603581 710738685 /nfs/dbraw/zinc/73/86/85/710738685.db2.gz XPRSVWOBPJUPBT-UHFFFAOYSA-N 0 3 317.407 1.322 20 10 DDCDHN N[C@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@H]1F ZINC001204830562 741675077 /nfs/dbraw/zinc/67/50/77/741675077.db2.gz WTZWVMACWYAUFV-KGLIPLIRSA-N 0 3 313.804 1.658 20 10 DDCDHN [NH3+]Cc1cc(=O)[n-]c(CNCc2ccc(N3CCCC3)cc2)n1 ZINC001118900051 781268889 /nfs/dbraw/zinc/26/88/89/781268889.db2.gz HRFIISBQXKZGFZ-UHFFFAOYSA-N 0 3 313.405 1.531 20 10 DDCDHN CN1CCN(CCCC[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC001119440091 781455336 /nfs/dbraw/zinc/45/53/36/781455336.db2.gz BVGYUEUGGSUATP-UHFFFAOYSA-N 0 3 313.392 1.788 20 10 DDCDHN C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001270070022 842269306 /nfs/dbraw/zinc/26/93/06/842269306.db2.gz SJDNUTASDDLPBV-INIZCTEOSA-N 0 3 306.362 1.361 20 10 DDCDHN C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001270070022 842269311 /nfs/dbraw/zinc/26/93/11/842269311.db2.gz SJDNUTASDDLPBV-INIZCTEOSA-N 0 3 306.362 1.361 20 10 DDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1)Cc1ccncn1 ZINC001139411632 860391069 /nfs/dbraw/zinc/39/10/69/860391069.db2.gz VYFXKFSYYMKCDA-UHFFFAOYSA-N 0 3 311.433 1.860 20 10 DDCDHN COC[C@]12COC[C@H]1C[N@H+](Cc1c([O-])cc(OC)cc1OC)C2 ZINC001141026886 860765478 /nfs/dbraw/zinc/76/54/78/860765478.db2.gz GRICSWPWZXHSIE-SJKOYZFVSA-N 0 3 323.389 1.504 20 10 DDCDHN COC[C@]12COC[C@H]1C[N@@H+](Cc1c([O-])cc(OC)cc1OC)C2 ZINC001141026886 860765480 /nfs/dbraw/zinc/76/54/80/860765480.db2.gz GRICSWPWZXHSIE-SJKOYZFVSA-N 0 3 323.389 1.504 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC[C@H]3CO)cc2F)CC1 ZINC001319706017 866232960 /nfs/dbraw/zinc/23/29/60/866232960.db2.gz QSXPKUMVXIEYNH-HNNXBMFYSA-N 0 3 307.413 1.534 20 10 DDCDHN O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccccc1[O-])CCO2 ZINC001320417722 866721163 /nfs/dbraw/zinc/72/11/63/866721163.db2.gz SVXIYYGHMAKZLY-DZGCQCFKSA-N 0 3 311.403 1.218 20 10 DDCDHN Cc1cncnc1O[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277888 871037125 /nfs/dbraw/zinc/03/71/25/871037125.db2.gz NSBUURLHBAGNPF-CQSZACIVSA-N 0 3 301.346 1.850 20 10 DDCDHN Cc1cncnc1O[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277888 871037143 /nfs/dbraw/zinc/03/71/43/871037143.db2.gz NSBUURLHBAGNPF-CQSZACIVSA-N 0 3 301.346 1.850 20 10 DDCDHN C[C@]1(CO)CN(Cc2ccc(N3CCCC3)cc2)CC[C@@H]1O ZINC001204323080 871053376 /nfs/dbraw/zinc/05/33/76/871053376.db2.gz DDSPFZUCAVZYFR-ZWKOTPCHSA-N 0 3 304.434 1.852 20 10 DDCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CC[NH2+]C3)cccc21 ZINC001218038159 877378857 /nfs/dbraw/zinc/37/88/57/877378857.db2.gz GZGNONMMXUWKBZ-SNVBAGLBSA-N 0 3 309.321 1.908 20 10 DDCDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NCC3COC3)C2)c([O-])c1 ZINC001277567828 885880922 /nfs/dbraw/zinc/88/09/22/885880922.db2.gz IFJRFLPFHSETIG-CRAIPNDOSA-N 0 3 316.401 1.285 20 10 DDCDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)NCC3COC3)C2)c([O-])c1 ZINC001277567828 885880926 /nfs/dbraw/zinc/88/09/26/885880926.db2.gz IFJRFLPFHSETIG-CRAIPNDOSA-N 0 3 316.401 1.285 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CCC[C@@]2(CCNC2=O)C1 ZINC001231852656 885908289 /nfs/dbraw/zinc/90/82/89/885908289.db2.gz ZJYKJWJPSQISRJ-GOSISDBHSA-N 0 3 317.433 1.863 20 10 DDCDHN Oc1cc(O)c(CN2CCCN(c3ccccn3)CC2)cc1O ZINC001233483244 887015323 /nfs/dbraw/zinc/01/53/23/887015323.db2.gz SBOADQHOAPLFAV-UHFFFAOYSA-N 0 3 315.373 1.911 20 10 DDCDHN COC(=O)[C@@H]1CNCCN1Cc1c(O)ccc2ccccc21 ZINC001236055614 889085077 /nfs/dbraw/zinc/08/50/77/889085077.db2.gz SBNLVTLKYWVJOZ-HNNXBMFYSA-N 0 3 300.358 1.492 20 10 DDCDHN CN1CCOc2cc(CN3CCNC[C@H]3C(F)(F)F)ccc21 ZINC001236976498 889456291 /nfs/dbraw/zinc/45/62/91/889456291.db2.gz ODGGQYFTUBZLNN-AWEZNQCLSA-N 0 3 315.339 1.851 20 10 DDCDHN COC(=O)/C=C/c1ccc(N2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000073935184 353279343 /nfs/dbraw/zinc/27/93/43/353279343.db2.gz SZDCSLCSLOUUEM-FNORWQNLSA-N 0 3 319.361 1.923 20 10 DDCDHN CCN1CCN([C@@H]2CC[N@H+](Cc3cc(C)ccc3[O-])C2)CC1 ZINC000093133250 193206276 /nfs/dbraw/zinc/20/62/76/193206276.db2.gz JWSDOKUBEGKWSL-QGZVFWFLSA-N 0 3 303.450 1.912 20 10 DDCDHN CCN1CCN([C@@H]2CC[N@@H+](Cc3cc(C)ccc3[O-])C2)CC1 ZINC000093133250 193206278 /nfs/dbraw/zinc/20/62/78/193206278.db2.gz JWSDOKUBEGKWSL-QGZVFWFLSA-N 0 3 303.450 1.912 20 10 DDCDHN C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1[O-] ZINC000272898572 130072765 /nfs/dbraw/zinc/07/27/65/130072765.db2.gz UQHNLRQPLWCYDI-GDBMZVCRSA-N 0 3 319.449 1.986 20 10 DDCDHN COc1ccc(O)c([C@H](C)N2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 ZINC000377701452 286339180 /nfs/dbraw/zinc/33/91/80/286339180.db2.gz PHLVKQIVJLASDY-PSOPSSQASA-N 0 3 306.362 1.051 20 10 DDCDHN CN1CCN(CCNC(=O)NCc2ccc(N)cc2)CC1(C)C ZINC001120535704 782010830 /nfs/dbraw/zinc/01/08/30/782010830.db2.gz HZVCVFPBOXCDMT-UHFFFAOYSA-N 0 3 319.453 1.094 20 10 DDCDHN CCN(CCC[NH2+]Cc1cccc(OC)c1[O-])S(C)(=O)=O ZINC000038035386 406997891 /nfs/dbraw/zinc/99/78/91/406997891.db2.gz ZFRWBDYOAANWCG-UHFFFAOYSA-N 0 3 316.423 1.162 20 10 DDCDHN COc1cccc(CN2CCC(N3CCCC3=O)CC2)c1O ZINC000093088201 407194204 /nfs/dbraw/zinc/19/42/04/407194204.db2.gz PYGFWTGLTHWTEL-UHFFFAOYSA-N 0 3 304.390 1.988 20 10 DDCDHN COc1cccc(C[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c1[O-] ZINC000064620223 407238315 /nfs/dbraw/zinc/23/83/15/407238315.db2.gz JZDQRADDWQNJQA-INIZCTEOSA-N 0 3 321.465 1.762 20 10 DDCDHN COC(=O)[C@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000271055311 407489421 /nfs/dbraw/zinc/48/94/21/407489421.db2.gz ABXWTVADUVEIMJ-NSHDSACASA-N 0 3 309.362 1.794 20 10 DDCDHN CN(C)C(=O)CCN1CCN(Cc2cc(F)ccc2O)CC1 ZINC000272331293 407869372 /nfs/dbraw/zinc/86/93/72/407869372.db2.gz WMZGXEUWRHTICO-UHFFFAOYSA-N 0 3 309.385 1.127 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1)OCO2 ZINC000173371769 407878791 /nfs/dbraw/zinc/87/87/91/407878791.db2.gz CVGQQLBPBZCYGE-CQSZACIVSA-N 0 3 320.389 1.418 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1CN1CCOCC1)OCO2 ZINC000173371769 407878795 /nfs/dbraw/zinc/87/87/95/407878795.db2.gz CVGQQLBPBZCYGE-CQSZACIVSA-N 0 3 320.389 1.418 20 10 DDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)c1 ZINC000277024708 408905018 /nfs/dbraw/zinc/90/50/18/408905018.db2.gz DRJRLPQUOPTNSZ-GFCCVEGCSA-N 0 3 315.439 1.184 20 10 DDCDHN Cc1ccc(O)c([C@@H](C)NCCNS(=O)(=O)NC(C)C)c1 ZINC000277024708 408905020 /nfs/dbraw/zinc/90/50/20/408905020.db2.gz DRJRLPQUOPTNSZ-GFCCVEGCSA-N 0 3 315.439 1.184 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278560278 409085679 /nfs/dbraw/zinc/08/56/79/409085679.db2.gz ATOFPYNBKFEBDM-CQSZACIVSA-N 0 3 316.405 1.893 20 10 DDCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c([O-])c1 ZINC000293637051 409151881 /nfs/dbraw/zinc/15/18/81/409151881.db2.gz HUZUGJNMWHRQFS-CYBMUJFWSA-N 0 3 306.406 1.942 20 10 DDCDHN CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000280475340 409319086 /nfs/dbraw/zinc/31/90/86/409319086.db2.gz ZJDGHGWMTWPACA-INIZCTEOSA-N 0 3 308.378 1.367 20 10 DDCDHN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000280475340 409319090 /nfs/dbraw/zinc/31/90/90/409319090.db2.gz ZJDGHGWMTWPACA-INIZCTEOSA-N 0 3 308.378 1.367 20 10 DDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295152019 409344994 /nfs/dbraw/zinc/34/49/94/409344994.db2.gz REZKNGWYHGXELU-ZDUSSCGKSA-N 0 3 310.394 1.710 20 10 DDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295152019 409344999 /nfs/dbraw/zinc/34/49/99/409344999.db2.gz REZKNGWYHGXELU-ZDUSSCGKSA-N 0 3 310.394 1.710 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000296514645 409594194 /nfs/dbraw/zinc/59/41/94/409594194.db2.gz PQSOGJSAXPCAEB-KOLCDFICSA-N 0 3 304.387 1.510 20 10 DDCDHN COCCN(CCO)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000297135828 409820175 /nfs/dbraw/zinc/82/01/75/409820175.db2.gz NGJZBSTXBARUDS-UHFFFAOYSA-N 0 3 322.449 1.743 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1[O-] ZINC000228094936 222206187 /nfs/dbraw/zinc/20/61/87/222206187.db2.gz IVQZQINQOAGLHW-OTYXRUKQSA-N 0 3 301.770 1.684 20 10 DDCDHN O[C@@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@@H]1O ZINC000368044753 418678630 /nfs/dbraw/zinc/67/86/30/418678630.db2.gz TZRYBWJQMMQNJP-BGYRXZFFSA-N 0 3 324.424 1.787 20 10 DDCDHN COc1ccc(N2CCC(N(C)CC(=O)N3CCC3)CC2)cc1 ZINC000369816096 418738087 /nfs/dbraw/zinc/73/80/87/418738087.db2.gz NAQPLVJHORSMAI-UHFFFAOYSA-N 0 3 317.433 1.828 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)c([O-])c1 ZINC000370374227 418744089 /nfs/dbraw/zinc/74/40/89/418744089.db2.gz LCLASPRHRCMLHA-LBPRGKRZSA-N 0 3 316.409 1.544 20 10 DDCDHN COc1ccc(N2CCC(N(C)C(=O)C(C)(C)N)CC2)cc1 ZINC000370767517 418748385 /nfs/dbraw/zinc/74/83/85/418748385.db2.gz UVTMBYNZQOPZSU-UHFFFAOYSA-N 0 3 305.422 1.860 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)[C@@]2(F)CCNC2)cc1F ZINC000372106123 418836552 /nfs/dbraw/zinc/83/65/52/418836552.db2.gz VRKRUZXHWIRPEG-MRXNPFEDSA-N 0 3 311.376 1.990 20 10 DDCDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3cccc([O-])c31)CC2 ZINC000297025245 277272344 /nfs/dbraw/zinc/27/23/44/277272344.db2.gz UOWCWCKIOMPQTF-QWHCGFSZSA-N 0 3 314.389 1.722 20 10 DDCDHN C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccccc1[O-] ZINC000371690469 279484933 /nfs/dbraw/zinc/48/49/33/279484933.db2.gz XMFSHMDTRSKGKN-XWCIJXRUSA-N 0 3 317.389 1.763 20 10 DDCDHN COCCN1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000195144512 697732077 /nfs/dbraw/zinc/73/20/77/697732077.db2.gz OLSKUHULZRZITL-UHFFFAOYSA-N 0 3 321.421 1.644 20 10 DDCDHN CN1CCN(Cc2cc(Br)ccc2[O-])[C@@H](C[NH3+])C1 ZINC000234359774 697791551 /nfs/dbraw/zinc/79/15/51/697791551.db2.gz MJMAIDROKURRJQ-LBPRGKRZSA-N 0 3 314.227 1.229 20 10 DDCDHN CCOc1ccc(O)c(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC000281378393 698544436 /nfs/dbraw/zinc/54/44/36/698544436.db2.gz VZCZTXIQIMZBJF-RISCZKNCSA-N 0 3 306.362 1.721 20 10 DDCDHN C[C@@H](N[C@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000296419332 698592685 /nfs/dbraw/zinc/59/26/85/698592685.db2.gz LHBGLLBUSFDDTH-CJNGLKHVSA-N 0 3 303.406 1.452 20 10 DDCDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1ccccc1O ZINC000389804273 699090294 /nfs/dbraw/zinc/09/02/94/699090294.db2.gz ZOJRBXYIFKUSLI-MRRJBJDNSA-N 0 3 304.390 1.541 20 10 DDCDHN CN1CCC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000741080452 699814569 /nfs/dbraw/zinc/81/45/69/699814569.db2.gz AITLMMRUSUOFSU-INIZCTEOSA-N 0 3 314.433 1.956 20 10 DDCDHN CN1CCC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000741080453 699814630 /nfs/dbraw/zinc/81/46/30/699814630.db2.gz AITLMMRUSUOFSU-MRXNPFEDSA-N 0 3 314.433 1.956 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000796515428 699937164 /nfs/dbraw/zinc/93/71/64/699937164.db2.gz UZZWJKWTFWLFAU-UHFFFAOYSA-N 0 3 313.419 1.848 20 10 DDCDHN COc1ccc(O)c(CNCc2ccc3c(c2)C(=O)NCC3)c1 ZINC000757940727 700677249 /nfs/dbraw/zinc/67/72/49/700677249.db2.gz BFZCOZSEBZURSJ-UHFFFAOYSA-N 0 3 312.369 1.977 20 10 DDCDHN CCNC(=O)[C@@H](NCc1ccc(N2CCOCC2)cc1)C(C)C ZINC000815145190 701815012 /nfs/dbraw/zinc/81/50/12/701815012.db2.gz PCCUMCJVEQXRHD-KRWDZBQOSA-N 0 3 319.449 1.774 20 10 DDCDHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841006801 702307655 /nfs/dbraw/zinc/30/76/55/702307655.db2.gz IDWWFJPYRUSFMH-GFCCVEGCSA-N 0 3 304.394 1.198 20 10 DDCDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841019339 702313064 /nfs/dbraw/zinc/31/30/64/702313064.db2.gz IALPLLUVCDYSAK-QWHCGFSZSA-N 0 3 318.421 1.444 20 10 DDCDHN COC(=O)[C@H]1C[C@@H](O)CN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000843435610 702881869 /nfs/dbraw/zinc/88/18/69/702881869.db2.gz WJTUTWZHMMISTL-WCQYABFASA-N 0 3 313.781 1.710 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1[O-] ZINC000846046000 703230200 /nfs/dbraw/zinc/23/02/00/703230200.db2.gz BHWDAWQRHWZCHX-DKTWLAJQSA-N 0 3 313.195 1.817 20 10 DDCDHN N[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCC1 ZINC000852868997 704154888 /nfs/dbraw/zinc/15/48/88/704154888.db2.gz SESAYBNHHLVORJ-KRWDZBQOSA-N 0 3 317.433 1.391 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@H](O)COCC2CC2)cc1F ZINC000858117428 704667529 /nfs/dbraw/zinc/66/75/29/704667529.db2.gz NDRTTZHWMLCNQI-ZDUSSCGKSA-N 0 3 314.376 1.908 20 10 DDCDHN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000858191960 704675958 /nfs/dbraw/zinc/67/59/58/704675958.db2.gz CSYPDELRLNGYIY-HUUCEWRRSA-N 0 3 319.405 1.363 20 10 DDCDHN CCOc1ccc(C[NH2+]C[C@H]2CCCN2CCCO)c([O-])c1 ZINC000824558989 705479684 /nfs/dbraw/zinc/47/96/84/705479684.db2.gz BQIZQQORGFXOSF-OAHLLOKOSA-N 0 3 308.422 1.727 20 10 DDCDHN COCC(COC)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000824920901 705558723 /nfs/dbraw/zinc/55/87/23/705558723.db2.gz BMXGMRCRRSEAOD-UHFFFAOYSA-N 0 3 312.385 1.413 20 10 DDCDHN CN1CCN(c2ccc(CN3CCO[C@H](CCF)C3)cc2)CC1 ZINC000862530784 705726916 /nfs/dbraw/zinc/72/69/16/705726916.db2.gz SVAAIUXTJXXZMO-GOSISDBHSA-N 0 3 321.440 1.999 20 10 DDCDHN COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000826963312 705900854 /nfs/dbraw/zinc/90/08/54/705900854.db2.gz YMYFUUOLEJBBDY-GXFFZTMASA-N 0 3 315.753 1.474 20 10 DDCDHN COC(=O)[C@@H]1OCC[C@@H]1NCc1cc(Cl)cc(OC)c1O ZINC000826963312 705900857 /nfs/dbraw/zinc/90/08/57/705900857.db2.gz YMYFUUOLEJBBDY-GXFFZTMASA-N 0 3 315.753 1.474 20 10 DDCDHN CC[C@@H](N)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000827365012 705985950 /nfs/dbraw/zinc/98/59/50/705985950.db2.gz NTMYAYBNZLMGBW-SLEUVZQESA-N 0 3 323.412 1.793 20 10 DDCDHN CCOc1ccc(O)c(CN2CC[C@H](N(C)C(=O)N(C)C)C2)c1 ZINC000827544671 706023629 /nfs/dbraw/zinc/02/36/29/706023629.db2.gz HXPRGEFWUSAUGW-AWEZNQCLSA-N 0 3 321.421 1.979 20 10 DDCDHN CCN(Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCNC1=O ZINC000877498448 706123665 /nfs/dbraw/zinc/12/36/65/706123665.db2.gz DQEZQBYCXOQGRG-KRWDZBQOSA-N 0 3 317.433 1.358 20 10 DDCDHN Cc1ccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c([O-])c1 ZINC000877521438 706131078 /nfs/dbraw/zinc/13/10/78/706131078.db2.gz YMCNVXCLXKIXFQ-UHFFFAOYSA-N 0 3 303.362 1.311 20 10 DDCDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(OC)cc2O)C1(C)C ZINC000832177642 706862235 /nfs/dbraw/zinc/86/22/35/706862235.db2.gz CTHDFEWRUFQQEP-PBHICJAKSA-N 0 3 322.405 1.550 20 10 DDCDHN C[C@@H](O)CN1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835027890 707157740 /nfs/dbraw/zinc/15/77/40/707157740.db2.gz OGQUSSQOSSXBSE-DWTRPJMMSA-N 0 3 303.450 1.764 20 10 DDCDHN C[C@H](O)CN1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835027881 707157803 /nfs/dbraw/zinc/15/78/03/707157803.db2.gz OGQUSSQOSSXBSE-APHBUQMISA-N 0 3 303.450 1.764 20 10 DDCDHN CC[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000927021020 712931576 /nfs/dbraw/zinc/93/15/76/712931576.db2.gz ACOYYCPKYLZDHY-AAEUAGOBSA-N 0 3 301.408 1.147 20 10 DDCDHN CC[S@@](=O)CCNCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873048933 707709305 /nfs/dbraw/zinc/70/93/05/707709305.db2.gz RYUUMPWWRLYRIY-JOCHJYFZSA-N 0 3 321.446 1.798 20 10 DDCDHN COCC(COC)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873130866 707743174 /nfs/dbraw/zinc/74/31/74/707743174.db2.gz HXDMBMWIBDXTFO-UHFFFAOYSA-N 0 3 319.405 1.691 20 10 DDCDHN CN(C)c1ccc(CNCC[C@H]2CCCS2(=O)=O)cc1F ZINC000883299161 707969776 /nfs/dbraw/zinc/96/97/76/707969776.db2.gz NEPQUTAVCAEWCR-CYBMUJFWSA-N 0 3 314.426 1.949 20 10 DDCDHN COCC[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000884306983 708236120 /nfs/dbraw/zinc/23/61/20/708236120.db2.gz UJFXAJULCXYPMM-INIZCTEOSA-N 0 3 307.438 1.853 20 10 DDCDHN COC(=O)c1cc(C2CN(Cc3ccc(C)cc3O)C2)[nH]n1 ZINC000898002576 708516593 /nfs/dbraw/zinc/51/65/93/708516593.db2.gz VQBZNJHZCMATFD-UHFFFAOYSA-N 0 3 301.346 1.810 20 10 DDCDHN COC(=O)c1cc(C2CN(Cc3cc(OC)ccc3O)C2)[nH]n1 ZINC000898004992 708516953 /nfs/dbraw/zinc/51/69/53/708516953.db2.gz PNSGVNDPUHXAJA-UHFFFAOYSA-N 0 3 317.345 1.510 20 10 DDCDHN CCn1ncc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000898449443 708643813 /nfs/dbraw/zinc/64/38/13/708643813.db2.gz FUIWNEYMTONPJC-KRWDZBQOSA-N 0 3 316.453 1.757 20 10 DDCDHN C[C@@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103128 708984119 /nfs/dbraw/zinc/98/41/19/708984119.db2.gz WOOFCLLINKLMEM-WFASDCNBSA-N 0 3 308.426 1.035 20 10 DDCDHN C[C@@H](O)CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899104941 708984702 /nfs/dbraw/zinc/98/47/02/708984702.db2.gz SWWDSYDHZQXXOR-CJNGLKHVSA-N 0 3 322.453 1.378 20 10 DDCDHN O=C(Cc1c[nH]cn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000901176247 709956016 /nfs/dbraw/zinc/95/60/16/709956016.db2.gz OWMOGUDQYHCWAY-HNNXBMFYSA-N 0 3 315.373 1.866 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCOC2)N(C)C)cc1 ZINC000891251898 710142660 /nfs/dbraw/zinc/14/26/60/710142660.db2.gz HXNLHFKPXQIROP-NVXWUHKLSA-N 0 3 319.449 1.898 20 10 DDCDHN COc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(O)c1OC ZINC000893942391 710894813 /nfs/dbraw/zinc/89/48/13/710894813.db2.gz GISHWBDUQJJLHB-VHRBIJSZSA-N 0 3 320.389 1.495 20 10 DDCDHN COc1cc(C)cc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000894969885 711344312 /nfs/dbraw/zinc/34/43/12/711344312.db2.gz RURUMAWGAJIVLN-UONOGXRCSA-N 0 3 304.390 1.952 20 10 DDCDHN O=C(NCc1c(O)cccc1F)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000916841230 713469092 /nfs/dbraw/zinc/46/90/92/713469092.db2.gz CHIZWJMKSRJYEA-NEPJUHHUSA-N 0 3 323.368 1.194 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000916841230 713469094 /nfs/dbraw/zinc/46/90/94/713469094.db2.gz CHIZWJMKSRJYEA-NEPJUHHUSA-N 0 3 323.368 1.194 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000916841230 713469097 /nfs/dbraw/zinc/46/90/97/713469097.db2.gz CHIZWJMKSRJYEA-NEPJUHHUSA-N 0 3 323.368 1.194 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CCCCS(C)(=O)=O)c1[O-] ZINC000692801622 737886198 /nfs/dbraw/zinc/88/61/98/737886198.db2.gz BQMITHZZSSKQPI-UHFFFAOYSA-N 0 3 321.826 1.969 20 10 DDCDHN COc1cc([O-])c(CN2CC(C)([NH3+])C2)cc1Br ZINC001204986579 740665299 /nfs/dbraw/zinc/66/52/99/740665299.db2.gz ZLUDUTQQOSJMSB-UHFFFAOYSA-N 0 3 301.184 1.696 20 10 DDCDHN COC(=O)[C@@]1(C[NH2+]Cc2c(C)cc(OC)cc2[O-])CCOC1 ZINC001184410664 744039448 /nfs/dbraw/zinc/03/94/48/744039448.db2.gz LCFCNBZEBYZTDJ-MRXNPFEDSA-N 0 3 309.362 1.379 20 10 DDCDHN COCCN(C(=O)Cc1ccc(N)cc1)C1CCN(C)CC1 ZINC001160441940 772307393 /nfs/dbraw/zinc/30/73/93/772307393.db2.gz ZTETZUJJCYSUIZ-UHFFFAOYSA-N 0 3 305.422 1.381 20 10 DDCDHN C[NH+]1CCC2(CCN(C(=O)c3cc(O)c([O-])c(O)c3)CC2)CC1 ZINC001148587263 773540148 /nfs/dbraw/zinc/54/01/48/773540148.db2.gz GCUGHNISOLIAFD-UHFFFAOYSA-N 0 3 320.389 1.751 20 10 DDCDHN CN1CCN(c2ccc(CN3CC(C(C)(C)O)C3)cc2F)CC1 ZINC001117867160 780921578 /nfs/dbraw/zinc/92/15/78/780921578.db2.gz ADPXRIQSGMIHIW-UHFFFAOYSA-N 0 3 321.440 1.780 20 10 DDCDHN Cc1cc(F)cc(CN2CCOC[C@]3(CC(=O)N(C)C3)C2)c1O ZINC001274100291 851926143 /nfs/dbraw/zinc/92/61/43/851926143.db2.gz ZXJDVPSNPWRTCM-KRWDZBQOSA-N 0 3 322.380 1.520 20 10 DDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001274660207 852492258 /nfs/dbraw/zinc/49/22/58/852492258.db2.gz DNCQVCYQFRBAGR-KRWDZBQOSA-N 0 3 304.390 1.763 20 10 DDCDHN COc1cc(C)c(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001274660207 852492261 /nfs/dbraw/zinc/49/22/61/852492261.db2.gz DNCQVCYQFRBAGR-KRWDZBQOSA-N 0 3 304.390 1.763 20 10 DDCDHN Cc1cccc(CN2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1O ZINC001276080933 854715444 /nfs/dbraw/zinc/71/54/44/854715444.db2.gz YGXBWSFVCFRWMN-IYBDPMFKSA-N 0 3 317.433 1.437 20 10 DDCDHN COc1cc(CN2CCO[C@H](C(C)=O)C2)cc(CN(C)C)c1O ZINC001139260263 860340174 /nfs/dbraw/zinc/34/01/74/860340174.db2.gz JKZWSEREISYHOQ-INIZCTEOSA-N 0 3 322.405 1.252 20 10 DDCDHN CCN1CCN(c2ccc(CN3CC(OC(C)=O)C3)cc2)CC1 ZINC001140304254 860614674 /nfs/dbraw/zinc/61/46/74/860614674.db2.gz KOJQLTJUORAOOA-UHFFFAOYSA-N 0 3 317.433 1.576 20 10 DDCDHN CCN1CCN(c2ccc(CN3CC(NC(C)=O)C3)cc2)CC1 ZINC001140304223 860614976 /nfs/dbraw/zinc/61/49/76/860614976.db2.gz JJSJFSZWPXQLOM-UHFFFAOYSA-N 0 3 316.449 1.149 20 10 DDCDHN COc1cc([O-])c(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c(OC)c1 ZINC001141026084 860765163 /nfs/dbraw/zinc/76/51/63/860765163.db2.gz BXIIYDBZOWQDTH-GFCCVEGCSA-N 0 3 323.389 1.525 20 10 DDCDHN CN(CCCN1CCN(C)CC1)C(=O)NCc1ccc(N)cc1 ZINC001337070849 869306832 /nfs/dbraw/zinc/30/68/32/869306832.db2.gz YCVAUKLBESCEFZ-UHFFFAOYSA-N 0 3 319.453 1.048 20 10 DDCDHN CN1C[C@H](CN(Cc2ccccc2O)C[C@@H]2CCCO2)OC1=O ZINC001347643130 874226231 /nfs/dbraw/zinc/22/62/31/874226231.db2.gz PJOPBXKSRYBEQB-LSDHHAIUSA-N 0 3 320.389 1.824 20 10 DDCDHN COc1cc(CN2CC[C@@]3(CCC[C@H]3C(N)=O)C2)cc(O)c1O ZINC001277217710 883068563 /nfs/dbraw/zinc/06/85/63/883068563.db2.gz DEKBQRDQCPRQAL-SJCJKPOMSA-N 0 3 320.389 1.584 20 10 DDCDHN COc1cc(CN2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)cc(O)c1O ZINC001277219821 883079604 /nfs/dbraw/zinc/07/96/04/883079604.db2.gz RYMQASNXXACIDN-GNXNZQSNSA-N 0 3 306.362 1.050 20 10 DDCDHN O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001276914703 881076679 /nfs/dbraw/zinc/07/66/79/881076679.db2.gz TURSCLPAKGKNRP-BDJLRTHQSA-N 0 3 314.345 1.282 20 10 DDCDHN COCCN(C)C(=O)[C@]12C[C@H]1CCN2Cc1ccccc1O ZINC001277445765 884327834 /nfs/dbraw/zinc/32/78/34/884327834.db2.gz HROJUJHITCTHFQ-PBHICJAKSA-N 0 3 304.390 1.461 20 10 DDCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@H]1O ZINC001232193825 886152763 /nfs/dbraw/zinc/15/27/63/886152763.db2.gz ARQUAOIIOJUANM-BLLLJJGKSA-N 0 3 310.825 1.989 20 10 DDCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)C[C@@H]1O ZINC001232193826 886154172 /nfs/dbraw/zinc/15/41/72/886154172.db2.gz ARQUAOIIOJUANM-LRDDRELGSA-N 0 3 310.825 1.989 20 10 DDCDHN CN(C)c1ccc(CN2CCN(c3cncnc3)CC2)c(O)c1 ZINC001232840821 886627218 /nfs/dbraw/zinc/62/72/18/886627218.db2.gz KWROOKXZZWVXCQ-UHFFFAOYSA-N 0 3 313.405 1.570 20 10 DDCDHN CC(C)(O)CCN1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233016111 886732036 /nfs/dbraw/zinc/73/20/36/886732036.db2.gz MSQVDFZEKBZVFB-UHFFFAOYSA-N 0 3 310.394 1.082 20 10 DDCDHN Oc1cc(O)c(CN2CCC(c3ncccn3)CC2)cc1O ZINC001233486081 887018419 /nfs/dbraw/zinc/01/84/19/887018419.db2.gz XMZLZJOQBHIQIJ-UHFFFAOYSA-N 0 3 301.346 1.973 20 10 DDCDHN Cc1cc(F)cc(CN2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)c1O ZINC001238060278 890005648 /nfs/dbraw/zinc/00/56/48/890005648.db2.gz GLMXTIVWFBBBJQ-KFWWJZLASA-N 0 3 322.380 1.660 20 10 DDCDHN CCNC(=O)CO[C@H]1CCCN(Cc2cc(F)cc(C)c2O)C1 ZINC001238070795 890013998 /nfs/dbraw/zinc/01/39/98/890013998.db2.gz PHGRZXQFWUOHEM-HNNXBMFYSA-N 0 3 324.396 1.957 20 10 DDCDHN CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000019230293 182109255 /nfs/dbraw/zinc/10/92/55/182109255.db2.gz CDIALWCAAXOTOY-GFCCVEGCSA-N 0 3 312.435 1.857 20 10 DDCDHN COC(=O)c1cn(CCNCc2ccc(OC)c(C)c2)nn1 ZINC000283980711 131037874 /nfs/dbraw/zinc/03/78/74/131037874.db2.gz LOXVXUYYEBAGMC-UHFFFAOYSA-N 0 3 304.350 1.172 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)c([O-])c1 ZINC000186054699 407568002 /nfs/dbraw/zinc/56/80/02/407568002.db2.gz JKMKBMVWQLQJKB-IUODEOHRSA-N 0 3 314.389 1.890 20 10 DDCDHN CCOC1CC(C[NH2+]Cc2ccccc2[O-])(N2CCOCC2)C1 ZINC000195460739 407458896 /nfs/dbraw/zinc/45/88/96/407458896.db2.gz LZLRMALCCAUHPV-UHFFFAOYSA-N 0 3 320.433 1.752 20 10 DDCDHN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCN1C1CCOCC1 ZINC000272268890 407842753 /nfs/dbraw/zinc/84/27/53/407842753.db2.gz CTTVAMJEHMIJFK-AWEZNQCLSA-N 0 3 320.389 1.357 20 10 DDCDHN Cc1cc(O)c(CN2CCN(CCC(=O)N(C)C)CC2)cc1C ZINC000268381310 408021343 /nfs/dbraw/zinc/02/13/43/408021343.db2.gz ZBWWXEOPILAQPC-UHFFFAOYSA-N 0 3 319.449 1.605 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](Cn3ccnn3)C1)OCO2 ZINC000154946057 408108065 /nfs/dbraw/zinc/10/80/65/408108065.db2.gz SADQYNUMSNGKGK-GFCCVEGCSA-N 0 3 316.361 1.625 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](Cn3ccnn3)C1)OCO2 ZINC000154946057 408108069 /nfs/dbraw/zinc/10/80/69/408108069.db2.gz SADQYNUMSNGKGK-GFCCVEGCSA-N 0 3 316.361 1.625 20 10 DDCDHN Oc1cc2c(cc1CN1CCS[C@H]3COCC[C@@H]31)OCO2 ZINC000268998524 408222661 /nfs/dbraw/zinc/22/26/61/408222661.db2.gz XKWAAKRWOBFAMR-NHYWBVRUSA-N 0 3 309.387 1.827 20 10 DDCDHN CCC[C@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269254049 408234337 /nfs/dbraw/zinc/23/43/37/408234337.db2.gz RGKCKZNCEMDCKJ-KRWDZBQOSA-N 0 3 319.449 1.639 20 10 DDCDHN CC[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000274905730 408564631 /nfs/dbraw/zinc/56/46/31/408564631.db2.gz MBEMOQRCLDCVLT-JSGCOSHPSA-N 0 3 312.435 1.857 20 10 DDCDHN CSCC[C@@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000195171429 408814524 /nfs/dbraw/zinc/81/45/24/408814524.db2.gz HTOKPMODWSCMCR-OAHLLOKOSA-N 0 3 307.463 1.983 20 10 DDCDHN C[C@@H](NCCC(=O)N(C)C)c1ccc(N2CCOCC2)cc1 ZINC000178291607 408800551 /nfs/dbraw/zinc/80/05/51/408800551.db2.gz YSCGTJVNLBWCJT-CQSZACIVSA-N 0 3 305.422 1.652 20 10 DDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)c1 ZINC000277024710 408904618 /nfs/dbraw/zinc/90/46/18/408904618.db2.gz DRJRLPQUOPTNSZ-LBPRGKRZSA-N 0 3 315.439 1.184 20 10 DDCDHN Cc1ccc(O)c([C@H](C)NCCNS(=O)(=O)NC(C)C)c1 ZINC000277024710 408904620 /nfs/dbraw/zinc/90/46/20/408904620.db2.gz DRJRLPQUOPTNSZ-LBPRGKRZSA-N 0 3 315.439 1.184 20 10 DDCDHN Cc1cc(O)c(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000291853126 408934457 /nfs/dbraw/zinc/93/44/57/408934457.db2.gz IBDHWXKMHPLKKM-AWEZNQCLSA-N 0 3 312.435 1.475 20 10 DDCDHN COc1ccc([O-])c(C[NH2+]CCCN2CCCO[C@@H](C)C2)c1 ZINC000277662726 408986813 /nfs/dbraw/zinc/98/68/13/408986813.db2.gz ZYTSEJOLXUSWLY-AWEZNQCLSA-N 0 3 308.422 1.991 20 10 DDCDHN COCCO[C@H]1C[C@@H](CO)CN(Cc2ccc(N(C)C)cc2)C1 ZINC000278789529 409089395 /nfs/dbraw/zinc/08/93/95/409089395.db2.gz WMTXFNBXHQBXCP-AEFFLSMTSA-N 0 3 322.449 1.598 20 10 DDCDHN COCCO[C@@H]1C[C@@H](CO)CN(Cc2ccc(N(C)C)cc2)C1 ZINC000278789561 409089544 /nfs/dbraw/zinc/08/95/44/409089544.db2.gz WMTXFNBXHQBXCP-SJLPKXTDSA-N 0 3 322.449 1.598 20 10 DDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1C ZINC000293732890 409170764 /nfs/dbraw/zinc/17/07/64/409170764.db2.gz UZDYLDPFKVLYDF-MRXNPFEDSA-N 0 3 316.405 1.930 20 10 DDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1C ZINC000293732890 409170765 /nfs/dbraw/zinc/17/07/65/409170765.db2.gz UZDYLDPFKVLYDF-MRXNPFEDSA-N 0 3 316.405 1.930 20 10 DDCDHN COCCC(=O)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000296268166 409483278 /nfs/dbraw/zinc/48/32/78/409483278.db2.gz BTFKTXYZMGTLMY-HNNXBMFYSA-N 0 3 318.417 1.997 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H](CO)C2CCCC2)cc1 ZINC000298020922 410081417 /nfs/dbraw/zinc/08/14/17/410081417.db2.gz BEMMIGXVSZXHIW-KRWDZBQOSA-N 0 3 319.449 1.510 20 10 DDCDHN CN(C)c1ccc(CN(C[C@H](O)Cn2cccn2)C2CC2)cc1 ZINC000298691321 410349280 /nfs/dbraw/zinc/34/92/80/410349280.db2.gz CXJZDNNQBOLCLB-SFHVURJKSA-N 0 3 314.433 1.975 20 10 DDCDHN CN(C)c1ccc(CN2CCN([C@@H]3CCCN(C)C3)CC2)cc1 ZINC000362376483 418753587 /nfs/dbraw/zinc/75/35/87/418753587.db2.gz OYBUTHVFNLFNQO-LJQANCHMSA-N 0 3 316.493 1.964 20 10 DDCDHN Cc1nc(CN2CCC[C@@H]([NH2+]Cc3ccccc3[O-])C2)no1 ZINC000363143355 418763223 /nfs/dbraw/zinc/76/32/23/418763223.db2.gz ZSWVYBCDOKMBGO-CQSZACIVSA-N 0 3 302.378 1.838 20 10 DDCDHN Cc1cccc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1[O-] ZINC000529644020 421548058 /nfs/dbraw/zinc/54/80/58/421548058.db2.gz LUUPVOXEFTYMBA-GOSISDBHSA-N 0 3 320.433 1.406 20 10 DDCDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)[C@H]2C1 ZINC000272687235 536460520 /nfs/dbraw/zinc/46/05/20/536460520.db2.gz SZECGQBPTZBDIL-JRFBKZHLSA-N 0 3 302.374 1.664 20 10 DDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)c1 ZINC000273375920 536793304 /nfs/dbraw/zinc/79/33/04/536793304.db2.gz HFDWIBZIBJVTTE-GXTWGEPZSA-N 0 3 322.405 1.286 20 10 DDCDHN COC(=O)c1ccc([O-])c([C@H](C)NC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000273375920 536793307 /nfs/dbraw/zinc/79/33/07/536793307.db2.gz HFDWIBZIBJVTTE-GXTWGEPZSA-N 0 3 322.405 1.286 20 10 DDCDHN O=C1CCCN1[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000111170699 696642305 /nfs/dbraw/zinc/64/23/05/696642305.db2.gz VLZBGPKTOROXFI-ZDUSSCGKSA-N 0 3 318.373 1.708 20 10 DDCDHN COCCN(C)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773276090 697737380 /nfs/dbraw/zinc/73/73/80/697737380.db2.gz JFQIRRMLFJZXKT-CQSZACIVSA-N 0 3 322.453 1.691 20 10 DDCDHN C[C@H](NCC(=O)N1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000775253338 697976645 /nfs/dbraw/zinc/97/66/45/697976645.db2.gz AKXVMLCZKJDJNU-AWEZNQCLSA-N 0 3 303.406 1.406 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)c([O-])c1 ZINC000756608970 700631244 /nfs/dbraw/zinc/63/12/44/700631244.db2.gz RGTXJSODEOKYTM-GFCCVEGCSA-N 0 3 313.419 1.291 20 10 DDCDHN CC[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC000761124549 700845460 /nfs/dbraw/zinc/84/54/60/700845460.db2.gz NFAHOLVLMGJRSM-NVXWUHKLSA-N 0 3 319.449 1.414 20 10 DDCDHN Cc1cc(C(=O)N[C@H](CO)CN(C)C)c(C)n1-c1ccccn1 ZINC000808173399 701504536 /nfs/dbraw/zinc/50/45/36/701504536.db2.gz IBVSUKZHDVUCQK-AWEZNQCLSA-N 0 3 316.405 1.141 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@H]2CCO)cc1 ZINC000839564959 701738026 /nfs/dbraw/zinc/73/80/26/701738026.db2.gz BYWBTXHPGZMRJJ-INIZCTEOSA-N 0 3 305.422 1.216 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1[O-] ZINC000840962178 702294641 /nfs/dbraw/zinc/29/46/41/702294641.db2.gz GKHUVECSCPMWLN-ZWNOBZJWSA-N 0 3 315.797 1.931 20 10 DDCDHN COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000843383059 702870797 /nfs/dbraw/zinc/87/07/97/702870797.db2.gz CXLCQYYWVCBKTJ-AWEZNQCLSA-N 0 3 324.352 1.071 20 10 DDCDHN C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(Cl)ccc1[O-] ZINC000843428568 702879617 /nfs/dbraw/zinc/87/96/17/702879617.db2.gz KSOFEXYPDGGIBU-LLVKDONJSA-N 0 3 311.813 1.597 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN1CCN(CCN(C)C)C(=O)C1 ZINC000846014879 703226912 /nfs/dbraw/zinc/22/69/12/703226912.db2.gz UPRZFVASXHHIHG-UHFFFAOYSA-N 0 3 318.465 1.267 20 10 DDCDHN CCOC(=O)C1(O)CCN(Cc2cccc(CC)c2O)CC1 ZINC000848888487 703599100 /nfs/dbraw/zinc/59/91/00/703599100.db2.gz VBSHRMBDQPZVIL-UHFFFAOYSA-N 0 3 307.390 1.845 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000850396588 703729714 /nfs/dbraw/zinc/72/97/14/703729714.db2.gz LPVIYPZBFDUOHD-CQSZACIVSA-N 0 3 306.406 1.744 20 10 DDCDHN C[C@@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccc(N(C)C)cc1 ZINC000851659908 703824749 /nfs/dbraw/zinc/82/47/49/703824749.db2.gz XLKCVYYFHJYAKN-KCPJHIHWSA-N 0 3 308.401 1.894 20 10 DDCDHN COc1ccc(N2CCN(CCc3c[nH]nn3)CC2)cc1F ZINC000851809599 703861531 /nfs/dbraw/zinc/86/15/31/703861531.db2.gz XENXLAYNDANYCE-UHFFFAOYSA-N 0 3 305.357 1.317 20 10 DDCDHN COC(=O)NC1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000853627109 704289350 /nfs/dbraw/zinc/28/93/50/704289350.db2.gz ONROPEAUHATLDU-UHFFFAOYSA-N 0 3 324.377 1.730 20 10 DDCDHN C[C@@H](CN1CCOCC1)NCc1cc(F)c(N(C)C)cc1F ZINC000858098017 704665365 /nfs/dbraw/zinc/66/53/65/704665365.db2.gz FATFORVRCKUIQJ-LBPRGKRZSA-N 0 3 313.392 1.841 20 10 DDCDHN COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000858541462 704724474 /nfs/dbraw/zinc/72/44/74/704724474.db2.gz KSFIYNJNCHFRCL-GFCCVEGCSA-N 0 3 306.362 1.039 20 10 DDCDHN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1nc(N)nc(N)n1 ZINC000858573154 704729008 /nfs/dbraw/zinc/72/90/08/704729008.db2.gz ZRATXUSPSZSCTD-SNVBAGLBSA-N 0 3 301.398 1.454 20 10 DDCDHN CCOc1ccc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c([O-])c1 ZINC000824501337 705466314 /nfs/dbraw/zinc/46/63/14/705466314.db2.gz HXIBQTXDYHQFIA-WBVHZDCISA-N 0 3 306.406 1.696 20 10 DDCDHN CCOc1ccc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c([O-])c1 ZINC000824501337 705466317 /nfs/dbraw/zinc/46/63/17/705466317.db2.gz HXIBQTXDYHQFIA-WBVHZDCISA-N 0 3 306.406 1.696 20 10 DDCDHN COC[C@@]1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCCCN1 ZINC000876878708 705903864 /nfs/dbraw/zinc/90/38/64/705903864.db2.gz JMKMGIHMIQLQQP-SJKOYZFVSA-N 0 3 322.405 1.737 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c([O-])c1 ZINC000826994366 705908518 /nfs/dbraw/zinc/90/85/18/705908518.db2.gz FECCGECCNVAOOY-ZDUSSCGKSA-N 0 3 306.362 1.817 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@H](N3CCOC3=O)C2)c([O-])c1 ZINC000826994366 705908520 /nfs/dbraw/zinc/90/85/20/705908520.db2.gz FECCGECCNVAOOY-ZDUSSCGKSA-N 0 3 306.362 1.817 20 10 DDCDHN CCS(=O)(=O)N(C)CCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876928595 705928180 /nfs/dbraw/zinc/92/81/80/705928180.db2.gz KHLNMXNWCLFCQL-UHFFFAOYSA-N 0 3 300.424 1.462 20 10 DDCDHN CN1CCC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C1=O ZINC000877079700 705978350 /nfs/dbraw/zinc/97/83/50/705978350.db2.gz JJUCPGSDBPFHAX-KRWDZBQOSA-N 0 3 317.433 1.358 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC(=O)N2)c1[O-] ZINC000827371374 705987618 /nfs/dbraw/zinc/98/76/18/705987618.db2.gz SRDNHSBNOQVRML-NSHDSACASA-N 0 3 313.195 1.831 20 10 DDCDHN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877498298 706123730 /nfs/dbraw/zinc/12/37/30/706123730.db2.gz BBDSXQSLZGOLRQ-DYVFJYSZSA-N 0 3 317.433 1.262 20 10 DDCDHN CO[C@@H]1COC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877586734 706150780 /nfs/dbraw/zinc/15/07/80/706150780.db2.gz QGZPUGKECQANIR-DLBZAZTESA-N 0 3 306.406 1.151 20 10 DDCDHN O=C1[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1C1CCOCC1 ZINC000877672302 706176275 /nfs/dbraw/zinc/17/62/75/706176275.db2.gz BCCVBENHIJVMIV-CQSZACIVSA-N 0 3 308.353 1.401 20 10 DDCDHN CC(C)(C[NH2+]Cc1ccccc1[O-])[C@H]1COCC12OCCO2 ZINC000839177269 708033787 /nfs/dbraw/zinc/03/37/87/708033787.db2.gz ZPBCXRATXBFWIF-OAHLLOKOSA-N 0 3 307.390 1.898 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@](C)(O)C(F)F ZINC000885940300 708667379 /nfs/dbraw/zinc/66/73/79/708667379.db2.gz FRTHGCCTXNFXMO-MRXNPFEDSA-N 0 3 314.376 1.971 20 10 DDCDHN CC[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H](C)O ZINC000900864540 709796860 /nfs/dbraw/zinc/79/68/60/709796860.db2.gz YZMJDSUIKUVZFI-XOKHGSTOSA-N 0 3 321.465 1.879 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H](O)C2CCC2)N(C)C)cc1 ZINC000891247011 710140710 /nfs/dbraw/zinc/14/07/10/710140710.db2.gz GLKAGGXADBIEOF-IAGOWNOFSA-N 0 3 319.449 1.633 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2c[nH]cn2)N(C)C)cc1 ZINC000891248239 710141345 /nfs/dbraw/zinc/14/13/45/710141345.db2.gz XDDPHOMHSIORBE-INIZCTEOSA-N 0 3 315.421 1.437 20 10 DDCDHN COC(=O)N(C)CCN(C)Cc1ccc(OC)c(OC)c1O ZINC000895394861 711501560 /nfs/dbraw/zinc/50/15/60/711501560.db2.gz DJGQPEZZHWZFEF-UHFFFAOYSA-N 0 3 312.366 1.539 20 10 DDCDHN Nc1ccc(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000904501668 711864995 /nfs/dbraw/zinc/86/49/95/711864995.db2.gz VTNVQGDJSJKUMG-LSDHHAIUSA-N 0 3 304.394 1.332 20 10 DDCDHN COC(OC)[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000922314498 714018686 /nfs/dbraw/zinc/01/86/86/714018686.db2.gz ZELGTFKVLWZAJS-CYBMUJFWSA-N 0 3 308.422 1.745 20 10 DDCDHN CO[C@]1(CNCc2ccc(N(C)C)cc2)CCS(=O)(=O)C1 ZINC000922613909 714100600 /nfs/dbraw/zinc/10/06/00/714100600.db2.gz CZISNFWSNMLTOG-HNNXBMFYSA-N 0 3 312.435 1.046 20 10 DDCDHN C[C@H]1COC[C@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000932502308 714348437 /nfs/dbraw/zinc/34/84/37/714348437.db2.gz VERRNGNVUXWXRW-XJKSGUPXSA-N 0 3 305.422 1.336 20 10 DDCDHN c1cc(N2CCOCC2)ccc1CN1CCC[C@H]1C1OCCO1 ZINC000933894191 714694996 /nfs/dbraw/zinc/69/49/96/714694996.db2.gz GKLKYRIAKCRQMJ-KRWDZBQOSA-N 0 3 318.417 1.861 20 10 DDCDHN C[C@@H]1[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C ZINC000925313043 714804663 /nfs/dbraw/zinc/80/46/63/714804663.db2.gz LDYCHEQRLKXWJR-CJNGLKHVSA-N 0 3 304.438 1.987 20 10 DDCDHN C[C@@H](O)CN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016385387 756979852 /nfs/dbraw/zinc/97/98/52/756979852.db2.gz SGXUSGCDPFMGOT-MFKMUULPSA-N 0 3 319.365 1.034 20 10 DDCDHN CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(O)cc2[O-])CC1=O ZINC001171688208 776433386 /nfs/dbraw/zinc/43/33/86/776433386.db2.gz DYWIJGZHJMKRBY-LLVKDONJSA-N 0 3 322.361 1.723 20 10 DDCDHN CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2[O-])C1=O ZINC001272618709 846416865 /nfs/dbraw/zinc/41/68/65/846416865.db2.gz NNJJWEQGNIYHQV-SFHVURJKSA-N 0 3 318.417 1.996 20 10 DDCDHN CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2[O-])C1=O ZINC001272618709 846416868 /nfs/dbraw/zinc/41/68/68/846416868.db2.gz NNJJWEQGNIYHQV-SFHVURJKSA-N 0 3 318.417 1.996 20 10 DDCDHN COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001272618695 846417592 /nfs/dbraw/zinc/41/75/92/846417592.db2.gz NGPBKFMZTDNVJT-HZPDHXFCSA-N 0 3 318.417 1.994 20 10 DDCDHN COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001272618695 846417596 /nfs/dbraw/zinc/41/75/96/846417596.db2.gz NGPBKFMZTDNVJT-HZPDHXFCSA-N 0 3 318.417 1.994 20 10 DDCDHN CN1CC[C@@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])CC2)C1=O ZINC001272988973 847749421 /nfs/dbraw/zinc/74/94/21/847749421.db2.gz XDUSPAPGVJAVIX-QGZVFWFLSA-N 0 3 304.390 1.932 20 10 DDCDHN CN1CC[C@@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])CC2)C1=O ZINC001272988973 847749432 /nfs/dbraw/zinc/74/94/32/847749432.db2.gz XDUSPAPGVJAVIX-QGZVFWFLSA-N 0 3 304.390 1.932 20 10 DDCDHN COc1cc(C)c(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001274660208 852492570 /nfs/dbraw/zinc/49/25/70/852492570.db2.gz DNCQVCYQFRBAGR-QGZVFWFLSA-N 0 3 304.390 1.763 20 10 DDCDHN COc1cc(C)c(C[N@H+]2CC[C@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001274660208 852492573 /nfs/dbraw/zinc/49/25/73/852492573.db2.gz DNCQVCYQFRBAGR-QGZVFWFLSA-N 0 3 304.390 1.763 20 10 DDCDHN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)ccc2[O-])O1 ZINC001140062837 860568507 /nfs/dbraw/zinc/56/85/07/860568507.db2.gz GDEQPJWUJPNEJU-YUELXQCFSA-N 0 3 308.353 1.351 20 10 DDCDHN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)ccc2[O-])O1 ZINC001140062837 860568514 /nfs/dbraw/zinc/56/85/14/860568514.db2.gz GDEQPJWUJPNEJU-YUELXQCFSA-N 0 3 308.353 1.351 20 10 DDCDHN Cc1ccc(O)c(CN2C[C@](O)(C(F)(F)F)C[C@H]2CO)c1 ZINC001140617510 860663312 /nfs/dbraw/zinc/66/33/12/860663312.db2.gz RWWVOXBSPZZJCN-AAEUAGOBSA-N 0 3 305.296 1.561 20 10 DDCDHN CC1=NC2(CC[NH+](Cc3ccc(C)cc3[O-])CC2)C(=O)N1C ZINC001140954799 860745484 /nfs/dbraw/zinc/74/54/84/860745484.db2.gz ZSNADWQXCIIZDR-UHFFFAOYSA-N 0 3 301.390 1.926 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c(OC)c1 ZINC001141032937 860768279 /nfs/dbraw/zinc/76/82/79/860768279.db2.gz UAAJKMYMTZIOMH-LBPRGKRZSA-N 0 3 320.389 1.606 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CCC(=O)N3CCC[C@H]3C2)c(OC)c1 ZINC001141032937 860768282 /nfs/dbraw/zinc/76/82/82/860768282.db2.gz UAAJKMYMTZIOMH-LBPRGKRZSA-N 0 3 320.389 1.606 20 10 DDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCCN1CCO ZINC001325295386 867921842 /nfs/dbraw/zinc/92/18/42/867921842.db2.gz GYPDYPUPHRNJQS-HZRUHFOJSA-N 0 3 320.389 1.074 20 10 DDCDHN O=C(N1CCCC1)C12CC(C1)CN2Cc1ccc(O)cc1O ZINC001204274820 871030775 /nfs/dbraw/zinc/03/07/75/871030775.db2.gz UDWMTGHYLVLQIF-UHFFFAOYSA-N 0 3 302.374 1.685 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CSCN2)N(C)C)cc1 ZINC001343165346 872523763 /nfs/dbraw/zinc/52/37/63/872523763.db2.gz FUXKZRATKIEWHC-GJZGRUSLSA-N 0 3 322.478 1.134 20 10 DDCDHN C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3c([O-])cccc3F)[C@@H]2C1 ZINC001351848486 876462322 /nfs/dbraw/zinc/46/23/22/876462322.db2.gz LLBLMMVBPKVDLH-ZKYQVNSYSA-N 0 3 307.369 1.671 20 10 DDCDHN C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3c([O-])cccc3F)[C@@H]2C1 ZINC001351848486 876462329 /nfs/dbraw/zinc/46/23/29/876462329.db2.gz LLBLMMVBPKVDLH-ZKYQVNSYSA-N 0 3 307.369 1.671 20 10 DDCDHN O=C(NCc1c[nH]cn1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277442651 884301683 /nfs/dbraw/zinc/30/16/83/884301683.db2.gz YLWJNZHYZXWMIB-CXAGYDPISA-N 0 3 312.373 1.254 20 10 DDCDHN O=C(NCc1c[nH]cn1)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277442651 884301702 /nfs/dbraw/zinc/30/17/02/884301702.db2.gz YLWJNZHYZXWMIB-CXAGYDPISA-N 0 3 312.373 1.254 20 10 DDCDHN O=C(NCC1COC1)[C@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2 ZINC001277483750 885181009 /nfs/dbraw/zinc/18/10/09/885181009.db2.gz AMZNSDSOYCMIJE-CYBMUJFWSA-N 0 3 320.364 1.116 20 10 DDCDHN COCCCN1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231635797 885771440 /nfs/dbraw/zinc/77/14/40/885771440.db2.gz LZAUOLSOEXSWTA-UHFFFAOYSA-N 0 3 310.394 1.261 20 10 DDCDHN CCOC(=O)[C@]1(C)CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486470 887018002 /nfs/dbraw/zinc/01/80/02/887018002.db2.gz NVSXLLGWBJJOLX-MRXNPFEDSA-N 0 3 309.362 1.969 20 10 DDCDHN COC(=O)[C@@H]1CNCCN1Cc1cc(C(C)(C)C)ccc1O ZINC001236056486 889087477 /nfs/dbraw/zinc/08/74/77/889087477.db2.gz HSCGZGNYHKZTAS-AWEZNQCLSA-N 0 3 306.406 1.637 20 10 DDCDHN CCOc1ccc(CN2CCCO[C@H](C(=O)OC)C2)c(O)c1 ZINC001237047440 889481118 /nfs/dbraw/zinc/48/11/18/889481118.db2.gz XTZHYJUDHHCZLE-HNNXBMFYSA-N 0 3 309.362 1.555 20 10 DDCDHN COCCOc1ccc(N2CCN(C[C@@H](O)C(C)C)CC2)cc1 ZINC001253768686 896083416 /nfs/dbraw/zinc/08/34/16/896083416.db2.gz WMIRLFYOANUWEF-GOSISDBHSA-N 0 3 322.449 1.851 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000296590417 222825605 /nfs/dbraw/zinc/82/56/05/222825605.db2.gz UXSAWPYHWALCGD-RYUDHWBXSA-N 0 3 300.424 1.679 20 10 DDCDHN Cc1c2ccccc2n(C)c1CNC[C@@H](O)CN1CCOCC1 ZINC000578997087 354714345 /nfs/dbraw/zinc/71/43/45/354714345.db2.gz YPNLSCLJNJIUCZ-OAHLLOKOSA-N 0 3 317.433 1.269 20 10 DDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)c1 ZINC000273375925 130114729 /nfs/dbraw/zinc/11/47/29/130114729.db2.gz HFDWIBZIBJVTTE-OCCSQVGLSA-N 0 3 322.405 1.286 20 10 DDCDHN COC(=O)c1ccc([O-])c([C@@H](C)NC[C@H](O)C[NH+]2CCCC2)c1 ZINC000273375925 130114731 /nfs/dbraw/zinc/11/47/31/130114731.db2.gz HFDWIBZIBJVTTE-OCCSQVGLSA-N 0 3 322.405 1.286 20 10 DDCDHN CCCCN(CCS(=O)(=O)N(C)C)Cc1ccccc1O ZINC000285243536 131150519 /nfs/dbraw/zinc/15/05/19/131150519.db2.gz HWSJSQGLGPGHDH-UHFFFAOYSA-N 0 3 314.451 1.886 20 10 DDCDHN Oc1cc2c(cc1CN[C@H]1COc3ccccc3[C@H]1O)OCO2 ZINC000288613094 131332322 /nfs/dbraw/zinc/33/23/22/131332322.db2.gz QVQOYGGKYXPTFF-YVEFUNNKSA-N 0 3 315.325 1.705 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1COc3ccccc3[C@H]1O)OCO2 ZINC000288613094 131332324 /nfs/dbraw/zinc/33/23/24/131332324.db2.gz QVQOYGGKYXPTFF-YVEFUNNKSA-N 0 3 315.325 1.705 20 10 DDCDHN CN(CCN1CCCC1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000097153154 407283400 /nfs/dbraw/zinc/28/34/00/407283400.db2.gz JQCKYYBVPODJRB-UHFFFAOYSA-N 0 3 317.433 1.577 20 10 DDCDHN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000170791637 407508567 /nfs/dbraw/zinc/50/85/67/407508567.db2.gz ZLQJKJNFYRWLST-MRXNPFEDSA-N 0 3 304.438 1.988 20 10 DDCDHN CC(C)[C@@H](CNC(=O)c1cccc(O)c1O)N1CCN(C)CC1 ZINC000187144251 407824783 /nfs/dbraw/zinc/82/47/83/407824783.db2.gz HCRICFDWVKEHLD-CQSZACIVSA-N 0 3 321.421 1.100 20 10 DDCDHN COc1cccc(CNC(=O)NCCN2CCC[C@H](C)C2)c1O ZINC000173848187 407901466 /nfs/dbraw/zinc/90/14/66/407901466.db2.gz VLPFOEXVAWQQSC-ZDUSSCGKSA-N 0 3 321.421 1.932 20 10 DDCDHN COC(=O)CN1CCCN(Cc2cccc(OC)c2O)CC1 ZINC000121408023 408204505 /nfs/dbraw/zinc/20/45/05/408204505.db2.gz DVGBUIQIGPTBIU-UHFFFAOYSA-N 0 3 308.378 1.082 20 10 DDCDHN CC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)C(=O)N1CCOCC1 ZINC000185664989 286920874 /nfs/dbraw/zinc/92/08/74/286920874.db2.gz XSWIHHYRRDHTBQ-SWLSCSKDSA-N 0 3 322.405 1.689 20 10 DDCDHN COc1cccc(CN2CCC(C(=O)N(C)OC)CC2)c1O ZINC000291300922 408863777 /nfs/dbraw/zinc/86/37/77/408863777.db2.gz QQEZIWOKNYHFHO-UHFFFAOYSA-N 0 3 308.378 1.633 20 10 DDCDHN COc1cccc(C[NH+]2CCC(C(=O)N(C)OC)CC2)c1[O-] ZINC000291300922 408863780 /nfs/dbraw/zinc/86/37/80/408863780.db2.gz QQEZIWOKNYHFHO-UHFFFAOYSA-N 0 3 308.378 1.633 20 10 DDCDHN CC[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000279981318 409254232 /nfs/dbraw/zinc/25/42/32/409254232.db2.gz DPNAIBRKCFBRGW-CYBMUJFWSA-N 0 3 300.424 1.681 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+]CCCn2cc(CO)nn2)c1 ZINC000289906026 409289982 /nfs/dbraw/zinc/28/99/82/409289982.db2.gz RHICHODHTXJVEV-UHFFFAOYSA-N 0 3 306.366 1.055 20 10 DDCDHN COc1ccc(O)c([C@H](C)N2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000364414986 418777211 /nfs/dbraw/zinc/77/72/11/418777211.db2.gz HNVWXOZQQKXSNR-STQMWFEESA-N 0 3 319.405 1.951 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000365192619 418842535 /nfs/dbraw/zinc/84/25/35/418842535.db2.gz RNKOJZWAMDAZOX-SJLPKXTDSA-N 0 3 317.433 1.526 20 10 DDCDHN COc1cccc(C[NH2+][C@]2(CO)COc3ccccc3C2)c1[O-] ZINC000527770346 421441352 /nfs/dbraw/zinc/44/13/52/421441352.db2.gz UTRAMYXWAAMART-GOSISDBHSA-N 0 3 315.369 1.857 20 10 DDCDHN CCN1CCN([C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)CC1 ZINC000180084623 521692590 /nfs/dbraw/zinc/69/25/90/521692590.db2.gz MGYRPDWZXINZAA-MRXNPFEDSA-N 0 3 307.413 1.743 20 10 DDCDHN CCN1CCN([C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)CC1 ZINC000180084623 521692593 /nfs/dbraw/zinc/69/25/93/521692593.db2.gz MGYRPDWZXINZAA-MRXNPFEDSA-N 0 3 307.413 1.743 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c([O-])c1O ZINC000182489302 526129082 /nfs/dbraw/zinc/12/90/82/526129082.db2.gz CAHMLRZFDPQAPA-CYBMUJFWSA-N 0 3 304.390 1.964 20 10 DDCDHN O=C1NCCCN1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180202248 527062743 /nfs/dbraw/zinc/06/27/43/527062743.db2.gz KZZDLZFDCULFLP-UHFFFAOYSA-N 0 3 307.369 1.911 20 10 DDCDHN CCN1CCCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000131778516 696808919 /nfs/dbraw/zinc/80/89/19/696808919.db2.gz PMULLHMHXGECPA-UHFFFAOYSA-N 0 3 304.438 1.990 20 10 DDCDHN CC(C)(O)CN1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000158585711 696992090 /nfs/dbraw/zinc/99/20/90/696992090.db2.gz DROQDFKMFLOSIZ-UHFFFAOYSA-N 0 3 308.378 1.009 20 10 DDCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N(C)C ZINC000189012460 697569337 /nfs/dbraw/zinc/56/93/37/697569337.db2.gz HLFZAIKSQVWSCU-KBPBESRZSA-N 0 3 305.422 1.651 20 10 DDCDHN CS(=O)(=O)N1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226584135 697767046 /nfs/dbraw/zinc/76/70/46/697767046.db2.gz QQWVSXBWDUDYER-UHFFFAOYSA-N 0 3 302.371 1.045 20 10 DDCDHN CCOC(=O)CN(C)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775835276 698043068 /nfs/dbraw/zinc/04/30/68/698043068.db2.gz SYLRJKXBEPXUHU-CYBMUJFWSA-N 0 3 321.421 1.425 20 10 DDCDHN C[C@H]1C(=O)N(C)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000779199983 698401333 /nfs/dbraw/zinc/40/13/33/698401333.db2.gz OVUBDTKLKXLITM-HNNXBMFYSA-N 0 3 316.449 1.101 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000800536743 700231614 /nfs/dbraw/zinc/23/16/14/700231614.db2.gz HXJFKIUWIGXGKL-HNNXBMFYSA-N 0 3 320.433 1.945 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000800536743 700231616 /nfs/dbraw/zinc/23/16/16/700231616.db2.gz HXJFKIUWIGXGKL-HNNXBMFYSA-N 0 3 320.433 1.945 20 10 DDCDHN COC(=O)[C@@](C)(O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000788018909 699267697 /nfs/dbraw/zinc/26/76/97/699267697.db2.gz GSOKGQOKQLWYSD-PBHICJAKSA-N 0 3 323.389 1.297 20 10 DDCDHN COC(=O)[C@@](C)(O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000788018909 699267701 /nfs/dbraw/zinc/26/77/01/699267701.db2.gz GSOKGQOKQLWYSD-PBHICJAKSA-N 0 3 323.389 1.297 20 10 DDCDHN COc1cc(N2CCN(C[C@@H](C)CO)CC2)cc(OC)c1OC ZINC000759876778 700779122 /nfs/dbraw/zinc/77/91/22/700779122.db2.gz CCUCFAIJQJLIRE-CYBMUJFWSA-N 0 3 324.421 1.463 20 10 DDCDHN CCN(C)c1ccc(CN2C[C@H](C(=O)OC)C[C@H](O)C2)cc1 ZINC000830864977 706593816 /nfs/dbraw/zinc/59/38/16/706593816.db2.gz IOGPBEBZKZLJKV-ZBFHGGJFSA-N 0 3 306.406 1.499 20 10 DDCDHN COc1cc(CN2CCC[C@H](NC(=O)N(C)C)C2)c(O)cc1C ZINC000840147256 701996606 /nfs/dbraw/zinc/99/66/06/701996606.db2.gz RBGDSWWYAHILQM-AWEZNQCLSA-N 0 3 321.421 1.945 20 10 DDCDHN CCOc1ccc(C[NH2+]CCCS(=O)(=O)CC)c([O-])c1 ZINC000840973227 702298141 /nfs/dbraw/zinc/29/81/41/702298141.db2.gz GWSRBOZUYIKCHG-UHFFFAOYSA-N 0 3 301.408 1.705 20 10 DDCDHN CC(C)[C@@H](CNC(=O)Nc1ccc(N)cc1)N1CCN(C)CC1 ZINC000841302046 702417826 /nfs/dbraw/zinc/41/78/26/702417826.db2.gz JUEUGAGOKCTUFM-MRXNPFEDSA-N 0 3 319.453 1.662 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CC[C@@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000814173329 702490228 /nfs/dbraw/zinc/49/02/28/702490228.db2.gz JVVWLAKKKSSKTJ-ZWNOBZJWSA-N 0 3 307.350 1.445 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CC[C@@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000814173329 702490233 /nfs/dbraw/zinc/49/02/33/702490233.db2.gz JVVWLAKKKSSKTJ-ZWNOBZJWSA-N 0 3 307.350 1.445 20 10 DDCDHN COc1c([O-])c(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000814173329 702490238 /nfs/dbraw/zinc/49/02/38/702490238.db2.gz JVVWLAKKKSSKTJ-ZWNOBZJWSA-N 0 3 307.350 1.445 20 10 DDCDHN COc1c([O-])c(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000814173329 702490244 /nfs/dbraw/zinc/49/02/44/702490244.db2.gz JVVWLAKKKSSKTJ-ZWNOBZJWSA-N 0 3 307.350 1.445 20 10 DDCDHN CN(C(=O)NCCc1ccc(N)cc1)[C@H]1CCN(C2CC2)C1 ZINC000841956255 702635006 /nfs/dbraw/zinc/63/50/06/702635006.db2.gz ZWXYFKDTLNKBQS-INIZCTEOSA-N 0 3 302.422 1.689 20 10 DDCDHN O=C1OC[C@]2(C[NH2+][C@H]3CCc4cccc([O-])c43)COCCN12 ZINC000866521300 706720534 /nfs/dbraw/zinc/72/05/34/706720534.db2.gz LLMLDDAUSYCDBM-LRDDRELGSA-N 0 3 304.346 1.190 20 10 DDCDHN CC[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccccc1[O-] ZINC000866551816 706727499 /nfs/dbraw/zinc/72/74/99/706727499.db2.gz CNHAJQKTCHAJTQ-PBHICJAKSA-N 0 3 320.389 1.061 20 10 DDCDHN CN(C)c1ccc(/C=C/CN[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000846030446 703229061 /nfs/dbraw/zinc/22/90/61/703229061.db2.gz DKAWKABSZFFRBU-RGDDUWESSA-N 0 3 323.462 1.389 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2C[C@H](O)C2(C)C)cc1 ZINC000846957890 703357397 /nfs/dbraw/zinc/35/73/97/703357397.db2.gz OOKSHMCMNSKNHY-CABCVRRESA-N 0 3 305.422 1.118 20 10 DDCDHN CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000879649989 706749641 /nfs/dbraw/zinc/74/96/41/706749641.db2.gz WRZQPKHLQUGNCG-CHWSQXEVSA-N 0 3 319.405 1.122 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)C(N)C(F)(F)F)C2)cc1 ZINC000852844656 704145088 /nfs/dbraw/zinc/14/50/88/704145088.db2.gz YMAYVPWJFNEOOC-CABZTGNLSA-N 0 3 317.311 1.280 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)CC(F)F)C2)cc1 ZINC000852844031 704145125 /nfs/dbraw/zinc/14/51/25/704145125.db2.gz NNFFCPCMDBIMDQ-MFKMUULPSA-N 0 3 313.348 1.373 20 10 DDCDHN C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000854642062 704431963 /nfs/dbraw/zinc/43/19/63/704431963.db2.gz IKMNAUZBZWFDSE-QWHCGFSZSA-N 0 3 306.362 1.033 20 10 DDCDHN C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000854642062 704431965 /nfs/dbraw/zinc/43/19/65/704431965.db2.gz IKMNAUZBZWFDSE-QWHCGFSZSA-N 0 3 306.362 1.033 20 10 DDCDHN COCCN1CCC(NC(=O)NCc2cc(C)ccc2O)CC1 ZINC000858279737 704688713 /nfs/dbraw/zinc/68/87/13/704688713.db2.gz QEJQVSOYRFPOAH-UHFFFAOYSA-N 0 3 321.421 1.611 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861986840 705625567 /nfs/dbraw/zinc/62/55/67/705625567.db2.gz NFIFJYBGYUXXIQ-UHFFFAOYSA-N 0 3 320.389 1.425 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1CCC([N@H+]2CCCOCC2)CC1 ZINC000861986840 705625570 /nfs/dbraw/zinc/62/55/70/705625570.db2.gz NFIFJYBGYUXXIQ-UHFFFAOYSA-N 0 3 320.389 1.425 20 10 DDCDHN COc1cccc(CN2CCC[C@H](NC(=O)N(C)C)C2)c1O ZINC000825278393 705638313 /nfs/dbraw/zinc/63/83/13/705638313.db2.gz BZIBXGXULKVCSF-ZDUSSCGKSA-N 0 3 307.394 1.636 20 10 DDCDHN CCOc1cccc(CN2CC[C@](OC)(C(=O)OC)C2)c1O ZINC000862473619 705720992 /nfs/dbraw/zinc/72/09/92/705720992.db2.gz BVLJQBRCWPSODF-MRXNPFEDSA-N 0 3 309.362 1.555 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000877094011 705981040 /nfs/dbraw/zinc/98/10/40/705981040.db2.gz WSQNPQCJLGOKKK-UHFFFAOYSA-N 0 3 324.446 1.747 20 10 DDCDHN COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877481794 706118913 /nfs/dbraw/zinc/11/89/13/706118913.db2.gz SQORWTVPZIKASK-GDBMZVCRSA-N 0 3 309.406 1.546 20 10 DDCDHN COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877481794 706118914 /nfs/dbraw/zinc/11/89/14/706118914.db2.gz SQORWTVPZIKASK-GDBMZVCRSA-N 0 3 309.406 1.546 20 10 DDCDHN O=CN1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877641585 706166766 /nfs/dbraw/zinc/16/67/66/706166766.db2.gz ADBSBFMKWMNGMI-UHFFFAOYSA-N 0 3 317.433 1.312 20 10 DDCDHN CN(C)C1(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000881852657 707393718 /nfs/dbraw/zinc/39/37/18/707393718.db2.gz BAVSXGRTQCXFML-UHFFFAOYSA-N 0 3 316.449 1.149 20 10 DDCDHN CCOc1ccc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c([O-])c1 ZINC000883300280 707970416 /nfs/dbraw/zinc/97/04/16/707970416.db2.gz SJWCQEYLWOZCKG-AWEZNQCLSA-N 0 3 313.419 1.848 20 10 DDCDHN CCCC[N@H+](CCN1C(=O)N[C@H](C)C1=O)Cc1ccccc1[O-] ZINC000838982745 708009965 /nfs/dbraw/zinc/00/99/65/708009965.db2.gz GLUGEKOZNVBVSB-CYBMUJFWSA-N 0 3 319.405 1.935 20 10 DDCDHN CCCC[N@@H+](CCN1C(=O)N[C@H](C)C1=O)Cc1ccccc1[O-] ZINC000838982745 708009967 /nfs/dbraw/zinc/00/99/67/708009967.db2.gz GLUGEKOZNVBVSB-CYBMUJFWSA-N 0 3 319.405 1.935 20 10 DDCDHN CCN1CC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184725 709318997 /nfs/dbraw/zinc/31/89/97/709318997.db2.gz FRQIUSQPCFJQCL-OAHLLOKOSA-N 0 3 318.421 1.639 20 10 DDCDHN CN1CC[N@H+](C)CC(C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890762416 709980705 /nfs/dbraw/zinc/98/07/05/709980705.db2.gz BXPMPEFFSUWAAG-UHFFFAOYSA-N 0 3 311.813 1.155 20 10 DDCDHN CN1CC[N@@H+](C)CC(C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890762416 709980709 /nfs/dbraw/zinc/98/07/09/709980709.db2.gz BXPMPEFFSUWAAG-UHFFFAOYSA-N 0 3 311.813 1.155 20 10 DDCDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCc2ccc(O)cc2O)C1 ZINC000910944108 710126298 /nfs/dbraw/zinc/12/62/98/710126298.db2.gz KUTYSFOWCNSCRL-INIZCTEOSA-N 0 3 310.369 1.927 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnc[nH]2)N(C)C)cc1 ZINC000891252362 710142509 /nfs/dbraw/zinc/14/25/09/710142509.db2.gz JXVLRSSLXNPAFF-HNNXBMFYSA-N 0 3 301.394 1.508 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)C2=COCCO2)N(C)C)cc1 ZINC000891257435 710144572 /nfs/dbraw/zinc/14/45/72/710144572.db2.gz HDVVFDWLBMYORK-HNNXBMFYSA-N 0 3 319.405 1.360 20 10 DDCDHN COc1ccc(CN(C)CCNC(=O)C(C)C)c(O)c1OC ZINC000892247074 710403482 /nfs/dbraw/zinc/40/34/82/710403482.db2.gz RYUCTQWUFMIDTL-UHFFFAOYSA-N 0 3 310.394 1.613 20 10 DDCDHN CCn1cnc(CNCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000902645519 710838231 /nfs/dbraw/zinc/83/82/31/710838231.db2.gz WMKLKMRCRXCNEZ-UHFFFAOYSA-N 0 3 313.449 1.945 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]CCCc2nnnn2C)c2c1c(F)ccc2[O-] ZINC000903348889 711100042 /nfs/dbraw/zinc/10/00/42/711100042.db2.gz NPBJHSCZOLNFHE-KOLCDFICSA-N 0 3 305.357 1.826 20 10 DDCDHN CO[C@]1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCS(=O)(=O)C1 ZINC000903365082 711105491 /nfs/dbraw/zinc/10/54/91/711105491.db2.gz HRZROMWPARVTKC-HZMBPMFUSA-N 0 3 317.382 1.386 20 10 DDCDHN COc1ccc(CNC(=O)c2ccnn2CCN(C)C)c(O)c1 ZINC000907927108 712650143 /nfs/dbraw/zinc/65/01/43/712650143.db2.gz VCCWAJBRTCFCGZ-UHFFFAOYSA-N 0 3 318.377 1.089 20 10 DDCDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cn(C)cn2)C1 ZINC000932416355 714326191 /nfs/dbraw/zinc/32/61/91/714326191.db2.gz ONLQWMDNPWDFES-HLRDLLSLSA-N 0 3 310.401 1.953 20 10 DDCDHN COC(=O)[C@@]1(O)CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001119440159 781455416 /nfs/dbraw/zinc/45/54/16/781455416.db2.gz CYDYXGWVMBNCDJ-QGZVFWFLSA-N 0 3 304.390 1.397 20 10 DDCDHN Oc1ccc(O)c(CN2CC[C@@H](Oc3ncc(F)cn3)C2)c1 ZINC001141163105 860798866 /nfs/dbraw/zinc/79/88/66/860798866.db2.gz PFLLXCTTWJZZRP-CYBMUJFWSA-N 0 3 305.309 1.680 20 10 DDCDHN COc1ccc(CNC/C=C\CNC(=O)c2cn[nH]c2)cc1C ZINC001320979025 867174501 /nfs/dbraw/zinc/17/45/01/867174501.db2.gz MWAKDLYWAXNEAU-ARJAWSKDSA-N 0 3 314.389 1.803 20 10 DDCDHN COCC[N@H+](Cc1ccc(O)cc1[O-])C1CCN(C(C)=O)CC1 ZINC001204275718 871034930 /nfs/dbraw/zinc/03/49/30/871034930.db2.gz YMHVQFQLPYIYAR-UHFFFAOYSA-N 0 3 322.405 1.557 20 10 DDCDHN COCC[N@@H+](Cc1ccc(O)cc1[O-])C1CCN(C(C)=O)CC1 ZINC001204275718 871034937 /nfs/dbraw/zinc/03/49/37/871034937.db2.gz YMHVQFQLPYIYAR-UHFFFAOYSA-N 0 3 322.405 1.557 20 10 DDCDHN C[C@@H]1CC[C@@H](O)CN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001346044487 873598865 /nfs/dbraw/zinc/59/88/65/873598865.db2.gz MVWPHTDRXHGDEJ-GDBMZVCRSA-N 0 3 321.440 1.923 20 10 DDCDHN COCCN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277190731 882919839 /nfs/dbraw/zinc/91/98/39/882919839.db2.gz QUQSWAMGXYRMOZ-CXAGYDPISA-N 0 3 320.389 1.025 20 10 DDCDHN COCCN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277190731 882919851 /nfs/dbraw/zinc/91/98/51/882919851.db2.gz QUQSWAMGXYRMOZ-CXAGYDPISA-N 0 3 320.389 1.025 20 10 DDCDHN CNc1cc(N(C)S(=O)(=O)Cc2ccc(N)cc2)ccn1 ZINC001216334819 876922080 /nfs/dbraw/zinc/92/20/80/876922080.db2.gz YTESJKYQWJNGBA-UHFFFAOYSA-N 0 3 306.391 1.672 20 10 DDCDHN CN1CCC12CN(Cc1ccc(N3CCN(C)CC3)cc1F)C2 ZINC001276790832 877608426 /nfs/dbraw/zinc/60/84/26/877608426.db2.gz UJSOLBUEZXLERT-UHFFFAOYSA-N 0 3 318.440 1.467 20 10 DDCDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc(C(C)C)cc1O ZINC001222080916 880224344 /nfs/dbraw/zinc/22/43/44/880224344.db2.gz QMXYGHAOCABDCU-HNNXBMFYSA-N 0 3 306.406 1.853 20 10 DDCDHN Cn1ccnc1NC(=O)[C@@H]1CC12CN(Cc1ccccc1O)C2 ZINC001277441211 884293891 /nfs/dbraw/zinc/29/38/91/884293891.db2.gz JOLFGNQUBPAHAS-ZDUSSCGKSA-N 0 3 312.373 1.586 20 10 DDCDHN COC(=O)CNC(=O)[C@@H]1CCCN1Cc1c(C)cc(C)cc1O ZINC001231848288 885904329 /nfs/dbraw/zinc/90/43/29/885904329.db2.gz FJKSJHTWGUDECS-AWEZNQCLSA-N 0 3 320.389 1.263 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CC[C@](C)(CO)[C@H](O)C1 ZINC001231849188 885905807 /nfs/dbraw/zinc/90/58/07/885905807.db2.gz OHGPTUJKPMHTNT-IAGOWNOFSA-N 0 3 308.422 1.326 20 10 DDCDHN COC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2O)CCCO1 ZINC001232840776 886627295 /nfs/dbraw/zinc/62/72/95/886627295.db2.gz IQTUXYUTUFQIHV-OAHLLOKOSA-N 0 3 308.378 1.222 20 10 DDCDHN Oc1ccc(F)c(F)c1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC001233334697 886929203 /nfs/dbraw/zinc/92/92/03/886929203.db2.gz QFSVEGZHFVMSOB-LBPRGKRZSA-N 0 3 312.360 1.967 20 10 DDCDHN CN(Cc1ccc(N2CCS(=O)(=O)CC2)cc1)CC1CC1 ZINC001237202317 889542830 /nfs/dbraw/zinc/54/28/30/889542830.db2.gz FVVPAWIESZMDQO-UHFFFAOYSA-N 0 3 308.447 1.763 20 10 DDCDHN Cc1cccc(O)c1CN1C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001237487254 889665506 /nfs/dbraw/zinc/66/55/06/889665506.db2.gz HFHREYXTXBOWRF-DZGCQCFKSA-N 0 3 322.405 1.770 20 10 DDCDHN COc1cc(CN2CCC[C@H](n3ccnn3)C2)c(O)c(OC)c1 ZINC001237684727 889804713 /nfs/dbraw/zinc/80/47/13/889804713.db2.gz PSZMJZSSYDWXTP-ZDUSSCGKSA-N 0 3 318.377 1.838 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+](C)CCC(=O)N(C)C)c([O-])c1 ZINC001249208298 893867150 /nfs/dbraw/zinc/86/71/50/893867150.db2.gz RMXVXEYGIJXAAB-UHFFFAOYSA-N 0 3 308.378 1.018 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCC(=O)N(C)C)c([O-])c1 ZINC001249208298 893867169 /nfs/dbraw/zinc/86/71/69/893867169.db2.gz RMXVXEYGIJXAAB-UHFFFAOYSA-N 0 3 308.378 1.018 20 10 DDCDHN CC[C@@H](O)CN1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001251780832 894813176 /nfs/dbraw/zinc/81/31/76/894813176.db2.gz ZGUFVXGAVIKJIF-MRXNPFEDSA-N 0 3 308.422 1.605 20 10 DDCDHN CCC[C@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000236787646 202007712 /nfs/dbraw/zinc/00/77/12/202007712.db2.gz OKHXGBMAEVTMDB-INIZCTEOSA-N 0 3 305.422 1.609 20 10 DDCDHN CCCOc1ccc(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C)c(O)c1 ZINC000284569641 131092868 /nfs/dbraw/zinc/09/28/68/131092868.db2.gz HQZBOVWUWWIEGB-CABCVRRESA-N 0 3 319.405 1.779 20 10 DDCDHN O=C([C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1)N1CCCC1 ZINC000288646842 131333926 /nfs/dbraw/zinc/33/39/26/131333926.db2.gz QSMUCSOXYQUXLB-GFCCVEGCSA-N 0 3 318.373 1.565 20 10 DDCDHN O=C([C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1)N1CCCC1 ZINC000288646842 131333928 /nfs/dbraw/zinc/33/39/28/131333928.db2.gz QSMUCSOXYQUXLB-GFCCVEGCSA-N 0 3 318.373 1.565 20 10 DDCDHN CCS(=O)(=O)C[C@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000186029987 407565224 /nfs/dbraw/zinc/56/52/24/407565224.db2.gz RJVAEHNCTPCHQZ-WDEREUQCSA-N 0 3 301.408 1.875 20 10 DDCDHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000186029951 407566226 /nfs/dbraw/zinc/56/62/26/407566226.db2.gz RJVAEHNCTPCHQZ-QWRGUYRKSA-N 0 3 301.408 1.875 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](C)[C@H]1C)cc2=O ZINC000248324825 408547906 /nfs/dbraw/zinc/54/79/06/408547906.db2.gz AXBNHDYPKPHJCX-WDEREUQCSA-N 0 3 318.377 1.842 20 10 DDCDHN C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccccc1[O-] ZINC000281188139 408874615 /nfs/dbraw/zinc/87/46/15/408874615.db2.gz RCFQFKHZUIDYLL-VXGBXAGGSA-N 0 3 314.389 1.601 20 10 DDCDHN COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000278692005 409087146 /nfs/dbraw/zinc/08/71/46/409087146.db2.gz MVILNGKAVLTJJM-WFASDCNBSA-N 0 3 313.369 1.377 20 10 DDCDHN COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000278692005 409087147 /nfs/dbraw/zinc/08/71/47/409087147.db2.gz MVILNGKAVLTJJM-WFASDCNBSA-N 0 3 313.369 1.377 20 10 DDCDHN CN1CCN(C(=O)C2CC[NH+](Cc3ccccc3[O-])CC2)CC1 ZINC000289947039 409290403 /nfs/dbraw/zinc/29/04/03/409290403.db2.gz XNOSFGUASHIVQT-UHFFFAOYSA-N 0 3 317.433 1.378 20 10 DDCDHN CN(C)c1ccc(CN(C)[C@H]2CCN3CCO[C@H]2C3)cc1F ZINC000295079977 409314648 /nfs/dbraw/zinc/31/46/48/409314648.db2.gz IDUBJIABJOQKIM-IRXDYDNUSA-N 0 3 307.413 1.797 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000359898173 410938441 /nfs/dbraw/zinc/93/84/41/410938441.db2.gz MGJPDVDUXZGHLX-KRWDZBQOSA-N 0 3 316.449 1.101 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1[O-] ZINC000366568510 418491392 /nfs/dbraw/zinc/49/13/92/418491392.db2.gz WUJRLRMPARCZEV-WDEREUQCSA-N 0 3 324.764 1.149 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1[O-] ZINC000366568510 418491393 /nfs/dbraw/zinc/49/13/93/418491393.db2.gz WUJRLRMPARCZEV-WDEREUQCSA-N 0 3 324.764 1.149 20 10 DDCDHN CCC[C@@H](N)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000236917041 222207392 /nfs/dbraw/zinc/20/73/92/222207392.db2.gz UOFFCVLETZGAJV-MRXNPFEDSA-N 0 3 305.422 1.861 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000368051958 418680087 /nfs/dbraw/zinc/68/00/87/418680087.db2.gz RHMMVXDAFDKMIV-LRDDRELGSA-N 0 3 303.362 1.517 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000368051958 418680089 /nfs/dbraw/zinc/68/00/89/418680089.db2.gz RHMMVXDAFDKMIV-LRDDRELGSA-N 0 3 303.362 1.517 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000376552473 418698816 /nfs/dbraw/zinc/69/88/16/418698816.db2.gz DFJUXUURYLMJMM-UHFFFAOYSA-N 0 3 320.389 1.425 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1CCC[N@H+](C2CCOCC2)CC1 ZINC000376552473 418698817 /nfs/dbraw/zinc/69/88/17/418698817.db2.gz DFJUXUURYLMJMM-UHFFFAOYSA-N 0 3 320.389 1.425 20 10 DDCDHN C[C@@H]1C[C@H]1N1C[C@H](NCc2cc3c(cc2O)OCO3)CC1=O ZINC000363264579 418763625 /nfs/dbraw/zinc/76/36/25/418763625.db2.gz OUHZXWXKMLSXBT-YUSALJHKSA-N 0 3 304.346 1.220 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000372575007 418884977 /nfs/dbraw/zinc/88/49/77/418884977.db2.gz ZLEGSWCRDFLIPG-TZMCWYRMSA-N 0 3 312.435 1.857 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000372575007 418884980 /nfs/dbraw/zinc/88/49/80/418884980.db2.gz ZLEGSWCRDFLIPG-TZMCWYRMSA-N 0 3 312.435 1.857 20 10 DDCDHN CC(C)[C@@H](CO)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000180615800 519795748 /nfs/dbraw/zinc/79/57/48/519795748.db2.gz GRSFIXOPNJPXLV-MRXNPFEDSA-N 0 3 307.438 1.318 20 10 DDCDHN CN(C)CCN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000267182964 524060509 /nfs/dbraw/zinc/06/05/09/524060509.db2.gz QGAQDVOOYCHWTK-UHFFFAOYSA-N 0 3 304.438 1.990 20 10 DDCDHN CC(=O)N1CCN(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000273393019 534792684 /nfs/dbraw/zinc/79/26/84/534792684.db2.gz LCQSMAXVIJESOK-AWEZNQCLSA-N 0 3 305.422 1.515 20 10 DDCDHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc([O-])cs1 ZINC000747616454 700077810 /nfs/dbraw/zinc/07/78/10/700077810.db2.gz KLNOAXLOIZSOPQ-RTXFEEFZSA-N 0 3 310.419 1.777 20 10 DDCDHN CC[C@@H](CO)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000093740321 696601452 /nfs/dbraw/zinc/60/14/52/696601452.db2.gz AMJCFDLTIDKIKD-ZDUSSCGKSA-N 0 3 308.378 1.009 20 10 DDCDHN CCC[N@H+](CCCS(=O)(=O)N(C)C)Cc1ccccc1[O-] ZINC000104682376 696620930 /nfs/dbraw/zinc/62/09/30/696620930.db2.gz QAAFYZCMJLLFHM-UHFFFAOYSA-N 0 3 314.451 1.886 20 10 DDCDHN CCC[N@@H+](CCCS(=O)(=O)N(C)C)Cc1ccccc1[O-] ZINC000104682376 696620932 /nfs/dbraw/zinc/62/09/32/696620932.db2.gz QAAFYZCMJLLFHM-UHFFFAOYSA-N 0 3 314.451 1.886 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000775203300 697971243 /nfs/dbraw/zinc/97/12/43/697971243.db2.gz FMIFSUNKMHGQKP-UHFFFAOYSA-N 0 3 304.390 1.845 20 10 DDCDHN CC(C)CNC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256942 697977100 /nfs/dbraw/zinc/97/71/00/697977100.db2.gz ATJWSLWEHNHFGQ-HNNXBMFYSA-N 0 3 319.449 1.946 20 10 DDCDHN C[C@@H](NC(=O)NC[C@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000776236615 698086375 /nfs/dbraw/zinc/08/63/75/698086375.db2.gz ABUZVVFXVJAHBI-CXAGYDPISA-N 0 3 320.437 1.179 20 10 DDCDHN COC[C@](C)(CO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000777483555 698193349 /nfs/dbraw/zinc/19/33/49/698193349.db2.gz TYVWPVDLOKUIIA-INIZCTEOSA-N 0 3 312.385 1.149 20 10 DDCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c([O-])c1 ZINC000784619993 699031440 /nfs/dbraw/zinc/03/14/40/699031440.db2.gz AZKKYNUVBZURIH-AWEZNQCLSA-N 0 3 313.419 1.848 20 10 DDCDHN CCN1CC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000802317985 700395284 /nfs/dbraw/zinc/39/52/84/700395284.db2.gz KSUYVTQSISNZLQ-RHSMWYFYSA-N 0 3 317.433 1.795 20 10 DDCDHN C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cc(F)ccc1[O-] ZINC000756481495 700623645 /nfs/dbraw/zinc/62/36/45/700623645.db2.gz ANAYMQPUHNJXLV-SNVBAGLBSA-N 0 3 318.414 1.900 20 10 DDCDHN COCCOC[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464943 701180462 /nfs/dbraw/zinc/18/04/62/701180462.db2.gz CPOVXUYQBGWXND-BLLLJJGKSA-N 0 3 323.389 1.303 20 10 DDCDHN COCCOC[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464943 701180464 /nfs/dbraw/zinc/18/04/64/701180464.db2.gz CPOVXUYQBGWXND-BLLLJJGKSA-N 0 3 323.389 1.303 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@]3(CCOC3)C1)[C@@H](O)CO2 ZINC000840146883 701995806 /nfs/dbraw/zinc/99/58/06/701995806.db2.gz ZAFQNZJVLQJQSP-RDJZCZTQSA-N 0 3 305.374 1.821 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@]3(CCOC3)C1)[C@@H](O)CO2 ZINC000840146883 701995810 /nfs/dbraw/zinc/99/58/10/701995810.db2.gz ZAFQNZJVLQJQSP-RDJZCZTQSA-N 0 3 305.374 1.821 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000840960220 702295261 /nfs/dbraw/zinc/29/52/61/702295261.db2.gz GXARSRKHWSQZLA-UHFFFAOYSA-N 0 3 301.408 1.704 20 10 DDCDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841019338 702312893 /nfs/dbraw/zinc/31/28/93/702312893.db2.gz IALPLLUVCDYSAK-OLZOCXBDSA-N 0 3 318.421 1.444 20 10 DDCDHN Cc1cc([O-])c(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000843124660 702824676 /nfs/dbraw/zinc/82/46/76/702824676.db2.gz JEUASOMLOGYZKS-CYBMUJFWSA-N 0 3 309.841 1.834 20 10 DDCDHN COCCNC(=O)C1(N[C@H](C)c2cccc(OC)c2O)CC1 ZINC000846168172 703245766 /nfs/dbraw/zinc/24/57/66/703245766.db2.gz HTDLZJLFJUORMH-LLVKDONJSA-N 0 3 308.378 1.347 20 10 DDCDHN C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000879651409 706750098 /nfs/dbraw/zinc/75/00/98/706750098.db2.gz UNAHVJKEAIWXQC-QWHCGFSZSA-N 0 3 312.435 1.714 20 10 DDCDHN C[C@H]([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1ccccc1[O-] ZINC000879650816 706749666 /nfs/dbraw/zinc/74/96/66/706749666.db2.gz QVTUHKVRACYMLM-WFASDCNBSA-N 0 3 304.390 1.680 20 10 DDCDHN CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])C(=O)OC ZINC000879652726 706750305 /nfs/dbraw/zinc/75/03/05/706750305.db2.gz HJJDODSBJBXUSF-MQIPJXDCSA-N 0 3 322.405 1.747 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)c([O-])c1 ZINC000850369306 703728014 /nfs/dbraw/zinc/72/80/14/703728014.db2.gz UQEBIHNDYDMHKR-DGCLKSJQSA-N 0 3 313.419 1.846 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cnccn2)c1 ZINC000851900151 703880793 /nfs/dbraw/zinc/88/07/93/703880793.db2.gz PYGGCFYBGQTCDE-JTQLQIEISA-N 0 3 302.334 1.480 20 10 DDCDHN COc1ccc(O)c([C@H](C)NS(=O)(=O)CCCN(C)C)c1 ZINC000866841355 706821464 /nfs/dbraw/zinc/82/14/64/706821464.db2.gz AGYIWTJOLZEVDO-NSHDSACASA-N 0 3 316.423 1.333 20 10 DDCDHN COc1cc(O)c(CN2CCC[C@H](n3ccnn3)C2)cc1OC ZINC000819897503 704183154 /nfs/dbraw/zinc/18/31/54/704183154.db2.gz QJBWEBSFBIUCAQ-ZDUSSCGKSA-N 0 3 318.377 1.838 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC000855224058 704473907 /nfs/dbraw/zinc/47/39/07/704473907.db2.gz DVFZUYPSHVPNKV-HUUCEWRRSA-N 0 3 317.433 1.732 20 10 DDCDHN O=C(NCC1CC[NH+](CC2CC2)CC1)c1cccc(O)c1[O-] ZINC000856416885 704527977 /nfs/dbraw/zinc/52/79/77/704527977.db2.gz ZQNOSWMZJMLQKD-UHFFFAOYSA-N 0 3 304.390 1.950 20 10 DDCDHN CO[C@@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H]1O ZINC000832012509 706826225 /nfs/dbraw/zinc/82/62/25/706826225.db2.gz WZEYSGKNLJWSIF-QZTJIDSGSA-N 0 3 320.433 1.493 20 10 DDCDHN CCN(C)c1ccc(CN2CC[C@](OC)(C(=O)OC)C2)cc1 ZINC000859555954 704936195 /nfs/dbraw/zinc/93/61/95/704936195.db2.gz ABJSAKLTCUUJDV-QGZVFWFLSA-N 0 3 306.406 1.907 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c([O-])c1 ZINC000877158902 706002041 /nfs/dbraw/zinc/00/20/41/706002041.db2.gz OIYOKAJITBXECC-GXTWGEPZSA-N 0 3 312.435 1.508 20 10 DDCDHN C[C@@H](NC(=O)[C@@H](N)C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000827725398 706057543 /nfs/dbraw/zinc/05/75/43/706057543.db2.gz HQPDXQLKGSFRDP-DYVFJYSZSA-N 0 3 317.433 1.828 20 10 DDCDHN COc1ccc(N2CCN(C[C@@H]3CCc4ncnn43)CC2)cc1 ZINC000877912458 706240064 /nfs/dbraw/zinc/24/00/64/706240064.db2.gz VRHMXNKUFNHOEV-HNNXBMFYSA-N 0 3 313.405 1.596 20 10 DDCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cnn(C)n1 ZINC000926853864 712912733 /nfs/dbraw/zinc/91/27/33/712912733.db2.gz IUVPEYKCMUTTQO-AWEZNQCLSA-N 0 3 314.437 1.418 20 10 DDCDHN Cc1nonc1[C@@H](C)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000926854488 712913075 /nfs/dbraw/zinc/91/30/75/712913075.db2.gz NWPIVYRNLDDYOS-CYBMUJFWSA-N 0 3 315.421 1.981 20 10 DDCDHN C[C@H]1CN(CCO)CCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835053027 707162882 /nfs/dbraw/zinc/16/28/82/707162882.db2.gz AEOFAVLCLIHNKP-AWFCHZOYSA-N 0 3 303.450 1.764 20 10 DDCDHN COC(=O)c1c(CNC[C@@H]2CCN2C)c2cc(F)ccc2n1C ZINC000896594873 708092410 /nfs/dbraw/zinc/09/24/10/708092410.db2.gz DMTLYIXKIXZLMR-LBPRGKRZSA-N 0 3 319.380 1.898 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CCO[C@@H]2CCOC2)c1[O-] ZINC000897202904 708252187 /nfs/dbraw/zinc/25/21/87/708252187.db2.gz ZZFABNGSBIRMFI-GFCCVEGCSA-N 0 3 301.770 1.949 20 10 DDCDHN COc1cc(C)cc(CNCc2cnc3n2CCOC3)c1O ZINC000898263783 708590690 /nfs/dbraw/zinc/59/06/90/708590690.db2.gz MLQKYILPZRQTAJ-UHFFFAOYSA-N 0 3 303.362 1.726 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@H]2CO)N(C)C)cc1 ZINC000899095788 708982019 /nfs/dbraw/zinc/98/20/19/708982019.db2.gz MKKJLKVDRZMBIO-HZPDHXFCSA-N 0 3 320.437 1.132 20 10 DDCDHN C/C=C/[C@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246842 710140590 /nfs/dbraw/zinc/14/05/90/710140590.db2.gz QGIWKPPDSOOROX-MIVXPEEVSA-N 0 3 305.422 1.409 20 10 DDCDHN O=C(NCc1ccccc1O)NC[C@H]1Cc2ccccc2CN1 ZINC000892803528 710503196 /nfs/dbraw/zinc/50/31/96/710503196.db2.gz SEPMWQHXAUAXSE-MRXNPFEDSA-N 0 3 311.385 1.906 20 10 DDCDHN COCCO[C@@H]1CCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000893873082 710868119 /nfs/dbraw/zinc/86/81/19/710868119.db2.gz DLBWNMLMFSFORE-CYBMUJFWSA-N 0 3 311.378 1.647 20 10 DDCDHN C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)n1 ZINC000903449403 711130995 /nfs/dbraw/zinc/13/09/95/711130995.db2.gz YITZYPFVQJFSGF-GUYCJALGSA-N 0 3 316.453 1.835 20 10 DDCDHN CNC(=O)C1(NC/C=C/c2ccc(N(C)C)cc2)CCOCC1 ZINC000895885640 711637754 /nfs/dbraw/zinc/63/77/54/711637754.db2.gz UVRNGUCUSPRXIW-SNAWJCMRSA-N 0 3 317.433 1.651 20 10 DDCDHN O=S(=O)(C[C@@]12CCN(C1)CCC2)NCc1ccccc1O ZINC000914141045 713347552 /nfs/dbraw/zinc/34/75/52/713347552.db2.gz WWBODBIGUQBSKU-HNNXBMFYSA-N 0 3 310.419 1.298 20 10 DDCDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3cnnn3C)C2)cc1 ZINC000926680462 715112383 /nfs/dbraw/zinc/11/23/83/715112383.db2.gz ORRXQTHXFYOQMH-CHWSQXEVSA-N 0 3 301.394 1.753 20 10 DDCDHN CN1C[C@@H]2CCN(C(=O)c3cc4cc(O)c(O)cc4[nH]3)[C@@H]2C1 ZINC001269476017 841677305 /nfs/dbraw/zinc/67/73/05/841677305.db2.gz AUHJSGJENVGALJ-TVQRCGJNSA-N 0 3 301.346 1.355 20 10 DDCDHN COC(=O)[C@@H]1C[C@@H](O)CN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001327107110 861891255 /nfs/dbraw/zinc/89/12/55/861891255.db2.gz KFJATDNQBSICSK-NVXWUHKLSA-N 0 3 318.417 1.643 20 10 DDCDHN CN1CCN(c2ccc(CN3C[C@@H](F)C[C@H](CO)C3)cc2)CC1 ZINC001139408647 860390533 /nfs/dbraw/zinc/39/05/33/860390533.db2.gz OGUQRCQIDOINLR-IRXDYDNUSA-N 0 3 321.440 1.591 20 10 DDCDHN C[C@@]1(CO)CCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660348 860669529 /nfs/dbraw/zinc/66/95/29/860669529.db2.gz OVHGZXBEOUJTCY-QGZVFWFLSA-N 0 3 308.397 1.867 20 10 DDCDHN Cc1cc(C(=O)NOCCN(C)C)c(C)n1-c1ccccn1 ZINC001328691304 863152175 /nfs/dbraw/zinc/15/21/75/863152175.db2.gz LPXVRTJGMJMUFM-UHFFFAOYSA-N 0 3 302.378 1.712 20 10 DDCDHN CC1=NO[C@@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001331583873 865165904 /nfs/dbraw/zinc/16/59/04/865165904.db2.gz NUWGWNUKENUURJ-OAHLLOKOSA-N 0 3 320.412 1.832 20 10 DDCDHN [O-]c1ccccc1C[N@H+]1CCc2nnc(Cn3cccc3)n2CC1 ZINC001203551815 870635282 /nfs/dbraw/zinc/63/52/82/870635282.db2.gz PBERJDTVTMEONB-UHFFFAOYSA-N 0 3 323.400 1.892 20 10 DDCDHN [O-]c1ccccc1C[N@@H+]1CCc2nnc(Cn3cccc3)n2CC1 ZINC001203551815 870635290 /nfs/dbraw/zinc/63/52/90/870635290.db2.gz PBERJDTVTMEONB-UHFFFAOYSA-N 0 3 323.400 1.892 20 10 DDCDHN COc1cc(CN2CCN(CCC(C)(C)O)CC2)cc(O)c1O ZINC001204348988 871069281 /nfs/dbraw/zinc/06/92/81/871069281.db2.gz MRHKXAUSCXJPTP-UHFFFAOYSA-N 0 3 324.421 1.385 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC001344822310 873134998 /nfs/dbraw/zinc/13/49/98/873134998.db2.gz QESKZDPMHUNYPE-DIOULYMOSA-N 0 3 322.380 1.695 20 10 DDCDHN Cc1ccc(CN2CC3(C[C@H]3C(=O)NCC3COC3)C2)c(O)c1 ZINC001277567461 885874118 /nfs/dbraw/zinc/87/41/18/885874118.db2.gz HBWOTXIOESGGCW-HNNXBMFYSA-N 0 3 316.401 1.285 20 10 DDCDHN Cc1cc(C)c(CN2Cc3ccnn3CC[C@H]2CO)c(O)c1 ZINC001231850454 885904597 /nfs/dbraw/zinc/90/45/97/885904597.db2.gz QAKUPYGNZUGLQG-HNNXBMFYSA-N 0 3 301.390 1.972 20 10 DDCDHN CN1CCOc2cc(CN3CCC4(C[C@@H]4C(N)=O)CC3)ccc21 ZINC001277652747 886278382 /nfs/dbraw/zinc/27/83/82/886278382.db2.gz JDUZZIAPWCYMPW-CQSZACIVSA-N 0 3 315.417 1.603 20 10 DDCDHN [O-]c1c(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cccc1OC(F)(F)F ZINC001233727300 887253107 /nfs/dbraw/zinc/25/31/07/887253107.db2.gz LQTUBRRFVXZWAU-ZJUUUORDSA-N 0 3 307.268 1.076 20 10 DDCDHN [O-]c1c(C[N@H+]2C[C@H](O)[C@@H](CO)C2)cccc1OC(F)(F)F ZINC001233727300 887253122 /nfs/dbraw/zinc/25/31/22/887253122.db2.gz LQTUBRRFVXZWAU-ZJUUUORDSA-N 0 3 307.268 1.076 20 10 DDCDHN CCN1CCN(c2ccc(O[C@@H]3CCN(C(C)=O)C3)cc2)CC1 ZINC001234657992 888173202 /nfs/dbraw/zinc/17/32/02/888173202.db2.gz QDDBVVMPTSFRFS-GOSISDBHSA-N 0 3 317.433 1.828 20 10 DDCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001236043908 889077898 /nfs/dbraw/zinc/07/78/98/889077898.db2.gz GALMPJIVUMONCN-FZKCQIBNSA-N 0 3 323.389 1.451 20 10 DDCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001236043908 889077904 /nfs/dbraw/zinc/07/79/04/889077904.db2.gz GALMPJIVUMONCN-FZKCQIBNSA-N 0 3 323.389 1.451 20 10 DDCDHN CCc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C(=O)OC)C2)c([O-])c1 ZINC001236784835 889353926 /nfs/dbraw/zinc/35/39/26/889353926.db2.gz BMMIRWVKXDWOGZ-YOEHRIQHSA-N 0 3 305.374 1.576 20 10 DDCDHN CCc1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C(=O)OC)C2)c([O-])c1 ZINC001236784835 889353939 /nfs/dbraw/zinc/35/39/39/889353939.db2.gz BMMIRWVKXDWOGZ-YOEHRIQHSA-N 0 3 305.374 1.576 20 10 DDCDHN COc1cc(C)c(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c([O-])c1 ZINC001236806853 889364457 /nfs/dbraw/zinc/36/44/57/889364457.db2.gz BPVKCWBXBRAZSO-CYBMUJFWSA-N 0 3 307.390 1.825 20 10 DDCDHN COc1cc(C)c(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c([O-])c1 ZINC001236816211 889371969 /nfs/dbraw/zinc/37/19/69/889371969.db2.gz QXOFTAVXFDJBQY-CYBMUJFWSA-N 0 3 304.390 1.906 20 10 DDCDHN COc1cc(C)c(C[N@H+]2CCC(=O)N3CCC[C@@H]3C2)c([O-])c1 ZINC001236816211 889371982 /nfs/dbraw/zinc/37/19/82/889371982.db2.gz QXOFTAVXFDJBQY-CYBMUJFWSA-N 0 3 304.390 1.906 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3C[C@@H](O)[C@H](CO)C3)ccc2O1 ZINC001249224433 893877481 /nfs/dbraw/zinc/87/74/81/893877481.db2.gz ZDCSWWZQJMEQKN-GXTWGEPZSA-N 0 3 305.374 1.361 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3C[C@@H](O)[C@H](CO)C3)ccc2O1 ZINC001249224433 893877498 /nfs/dbraw/zinc/87/74/98/893877498.db2.gz ZDCSWWZQJMEQKN-GXTWGEPZSA-N 0 3 305.374 1.361 20 10 DDCDHN [O-]c1cc(O)ccc1C[NH2+]C[C@H](O)COCc1ccccc1 ZINC001252300883 895069248 /nfs/dbraw/zinc/06/92/48/895069248.db2.gz NURJCTARAXBYRU-INIZCTEOSA-N 0 3 303.358 1.765 20 10 DDCDHN Cc1ccc(O)c(CN2CC[C@H](S(=O)(=O)NC3CC3)C2)c1 ZINC000092071942 353843931 /nfs/dbraw/zinc/84/39/31/353843931.db2.gz AYRMUXINPFGLHM-AWEZNQCLSA-N 0 3 310.419 1.357 20 10 DDCDHN C[C@@H]1CN(Cc2ccccc2O)CCN1c1nccn2cnnc12 ZINC000272469288 130032378 /nfs/dbraw/zinc/03/23/78/130032378.db2.gz ROFFGKAXTSBAGE-CYBMUJFWSA-N 0 3 324.388 1.541 20 10 DDCDHN CC(C)[C@H](CNC(=O)c1cccc(O)c1O)N1CCN(C)CC1 ZINC000187144270 407825079 /nfs/dbraw/zinc/82/50/79/407825079.db2.gz HCRICFDWVKEHLD-AWEZNQCLSA-N 0 3 321.421 1.100 20 10 DDCDHN CC(C(=O)NCc1c(O)ccc2c1CCCC2)S(C)(=O)=O ZINC000174512707 407957384 /nfs/dbraw/zinc/95/73/84/407957384.db2.gz HNDZUZVRLBJZFQ-JTQLQIEISA-N 0 3 311.403 1.320 20 10 DDCDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)N ZINC000121494685 408222751 /nfs/dbraw/zinc/22/27/51/408222751.db2.gz OCFWPAJSQAWJSU-MRVPVSSYSA-N 0 3 301.184 1.850 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC000269546763 408349193 /nfs/dbraw/zinc/34/91/93/408349193.db2.gz YJWRVVIGSLZRBO-ZDUSSCGKSA-N 0 3 312.435 1.462 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC000269546763 408349196 /nfs/dbraw/zinc/34/91/96/408349196.db2.gz YJWRVVIGSLZRBO-ZDUSSCGKSA-N 0 3 312.435 1.462 20 10 DDCDHN Cc1ccc(O)c(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC000269546763 408349200 /nfs/dbraw/zinc/34/92/00/408349200.db2.gz YJWRVVIGSLZRBO-ZDUSSCGKSA-N 0 3 312.435 1.462 20 10 DDCDHN CCN(C)c1ccc([C@@H](C)NCC(=O)N2CCOCC2)cc1 ZINC000183352729 408388983 /nfs/dbraw/zinc/38/89/83/408388983.db2.gz GGWDEQWUMKQEJV-CQSZACIVSA-N 0 3 305.422 1.652 20 10 DDCDHN COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC000183617230 408457282 /nfs/dbraw/zinc/45/72/82/408457282.db2.gz PVBMMSYEFSDDLW-VXGBXAGGSA-N 0 3 302.378 1.796 20 10 DDCDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000291287655 408863741 /nfs/dbraw/zinc/86/37/41/408863741.db2.gz MRUGKMXWLGLJIA-KRWDZBQOSA-N 0 3 324.396 1.969 20 10 DDCDHN N[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CCOCC1 ZINC000282607388 409060183 /nfs/dbraw/zinc/06/01/83/409060183.db2.gz KMYIDIAMPVRYJL-QGZVFWFLSA-N 0 3 317.433 1.657 20 10 DDCDHN CCN1CC[C@H]2OCCN(C(=O)c3ccc(C)c(O)c3O)[C@H]2C1 ZINC000293896040 409201833 /nfs/dbraw/zinc/20/18/33/409201833.db2.gz MHCYGHSVEDXNSV-UONOGXRCSA-N 0 3 320.389 1.341 20 10 DDCDHN COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000295086350 409318126 /nfs/dbraw/zinc/31/81/26/409318126.db2.gz RALPEJNDDPSHGU-MRXNPFEDSA-N 0 3 309.362 1.412 20 10 DDCDHN COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000295086350 409318131 /nfs/dbraw/zinc/31/81/31/409318131.db2.gz RALPEJNDDPSHGU-MRXNPFEDSA-N 0 3 309.362 1.412 20 10 DDCDHN Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2=O)cn1 ZINC000296916122 409704817 /nfs/dbraw/zinc/70/48/17/409704817.db2.gz PMBMMIUAAZTYCR-KGLIPLIRSA-N 0 3 312.373 1.508 20 10 DDCDHN COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3cccc([O-])c31)CC2 ZINC000297025242 409763285 /nfs/dbraw/zinc/76/32/85/409763285.db2.gz UOWCWCKIOMPQTF-OLZOCXBDSA-N 0 3 314.389 1.722 20 10 DDCDHN C[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1CO ZINC000298649027 410329004 /nfs/dbraw/zinc/32/90/04/410329004.db2.gz XHLIHQXJDCDBTR-CJNGLKHVSA-N 0 3 305.422 1.072 20 10 DDCDHN CCC[C@H](N)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000236817403 222207484 /nfs/dbraw/zinc/20/74/84/222207484.db2.gz UOFFCVLETZGAJV-INIZCTEOSA-N 0 3 305.422 1.861 20 10 DDCDHN C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCCOC1)c1ccccc1[O-] ZINC000367828697 418641236 /nfs/dbraw/zinc/64/12/36/418641236.db2.gz VSEWGEXRQZTELN-MAUKXSAKSA-N 0 3 320.433 1.924 20 10 DDCDHN COc1cccc(CN2CCC3(CC2)SCC(=O)N3C)c1O ZINC000376892077 418702441 /nfs/dbraw/zinc/70/24/41/418702441.db2.gz HEBQDTFMCRGLFN-UHFFFAOYSA-N 0 3 322.430 1.898 20 10 DDCDHN COc1ccc(O)c([C@@H](C)N2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000364414983 418777533 /nfs/dbraw/zinc/77/75/33/418777533.db2.gz HNVWXOZQQKXSNR-CHWSQXEVSA-N 0 3 319.405 1.951 20 10 DDCDHN Cn1cc([C@H]2[C@H](C[NH2+]Cc3ccccc3[O-])CC(=O)N2C)cn1 ZINC000364538507 418784423 /nfs/dbraw/zinc/78/44/23/418784423.db2.gz DPEHSDRVOPNOJP-SUMWQHHRSA-N 0 3 314.389 1.435 20 10 DDCDHN O=C(c1cn[n-]c1[C@H]1CC[NH2+]C1)N1CCc2ccc(F)cc21 ZINC000662424448 424625516 /nfs/dbraw/zinc/62/55/16/424625516.db2.gz STERMOQGTHRIAP-NSHDSACASA-N 0 3 300.337 1.829 20 10 DDCDHN Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC000179659679 337170921 /nfs/dbraw/zinc/17/09/21/337170921.db2.gz QABDCCMIHUWBCZ-INIZCTEOSA-N 0 3 318.417 1.771 20 10 DDCDHN Cc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC000179659679 337170922 /nfs/dbraw/zinc/17/09/22/337170922.db2.gz QABDCCMIHUWBCZ-INIZCTEOSA-N 0 3 318.417 1.771 20 10 DDCDHN COc1ccc(N2CCC(N[C@@H](C)C(=O)N(C)C)CC2)cc1 ZINC000365105250 524402538 /nfs/dbraw/zinc/40/25/38/524402538.db2.gz NUPOFUJVBHCSDK-ZDUSSCGKSA-N 0 3 305.422 1.730 20 10 DDCDHN COc1ccc(N2CCN(CC3(O)CCOCC3)CC2)cc1F ZINC000156751739 524424101 /nfs/dbraw/zinc/42/41/01/524424101.db2.gz IITKLUWUUFBSCN-UHFFFAOYSA-N 0 3 324.396 1.498 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000180453499 524747678 /nfs/dbraw/zinc/74/76/78/524747678.db2.gz QAZDHESIFFSJSQ-AWEZNQCLSA-N 0 3 306.406 1.555 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000180453499 524747687 /nfs/dbraw/zinc/74/76/87/524747687.db2.gz QAZDHESIFFSJSQ-AWEZNQCLSA-N 0 3 306.406 1.555 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C ZINC000776519660 698112319 /nfs/dbraw/zinc/11/23/19/698112319.db2.gz BTSFRAPRPDXTBN-INIZCTEOSA-N 0 3 311.378 1.583 20 10 DDCDHN COc1cccc(O)c1CNC[C@](C)(O)C(=O)OC(C)(C)C ZINC000776519660 698112321 /nfs/dbraw/zinc/11/23/21/698112321.db2.gz BTSFRAPRPDXTBN-INIZCTEOSA-N 0 3 311.378 1.583 20 10 DDCDHN CC(C)N(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@H](C)O ZINC000730422794 699510346 /nfs/dbraw/zinc/51/03/46/699510346.db2.gz DFRGALCGNVCVAK-HNNXBMFYSA-N 0 3 321.465 1.802 20 10 DDCDHN CS(=O)(=O)NCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846073 699537649 /nfs/dbraw/zinc/53/76/49/699537649.db2.gz QKBLDCZGFABMMP-UHFFFAOYSA-N 0 3 312.435 1.686 20 10 DDCDHN CS(=O)(=O)NCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731846073 699537650 /nfs/dbraw/zinc/53/76/50/699537650.db2.gz QKBLDCZGFABMMP-UHFFFAOYSA-N 0 3 312.435 1.686 20 10 DDCDHN CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790839328 699600153 /nfs/dbraw/zinc/60/01/53/699600153.db2.gz BXGPZZMUCPCZDM-CYBMUJFWSA-N 0 3 322.405 1.671 20 10 DDCDHN COc1cc(C)cc(CN2CC[C@H](NC(=O)NC3CC3)C2)c1O ZINC000760547585 700813459 /nfs/dbraw/zinc/81/34/59/700813459.db2.gz BVOZHVSHZSIYJA-AWEZNQCLSA-N 0 3 319.405 1.745 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000768938406 701217384 /nfs/dbraw/zinc/21/73/84/701217384.db2.gz ZKQYWAVHPHFBIJ-CQSZACIVSA-N 0 3 306.406 1.697 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000768938406 701217385 /nfs/dbraw/zinc/21/73/85/701217385.db2.gz ZKQYWAVHPHFBIJ-CQSZACIVSA-N 0 3 306.406 1.697 20 10 DDCDHN NC(=O)c1ccc(N2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC000770509520 701281045 /nfs/dbraw/zinc/28/10/45/701281045.db2.gz CLLBTLVADJEEIC-UHFFFAOYSA-N 0 3 311.385 1.813 20 10 DDCDHN CSCC[C@H](NCc1ccc2c(c1)CCO2)C(=O)N(C)C ZINC000808438292 701518061 /nfs/dbraw/zinc/51/80/61/701518061.db2.gz BGAXYFVFZACEFG-AWEZNQCLSA-N 0 3 308.447 1.921 20 10 DDCDHN CC[C@H](NCc1ccc(N(C)C)cc1C)C(=O)N1CCOCC1 ZINC000840935624 702285716 /nfs/dbraw/zinc/28/57/16/702285716.db2.gz WKCFLONVIXBAQI-KRWDZBQOSA-N 0 3 319.449 1.788 20 10 DDCDHN CN(C)CCN(C(=O)C(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000841094906 702343761 /nfs/dbraw/zinc/34/37/61/702343761.db2.gz SFKRGJCUDSYZNF-UHFFFAOYSA-N 0 3 318.421 1.540 20 10 DDCDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841124933 702357178 /nfs/dbraw/zinc/35/71/78/702357178.db2.gz WTQCQJXBPJLIIX-AWEZNQCLSA-N 0 3 318.421 1.444 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+]C2COCCOC2)c1[O-] ZINC000814172547 702489321 /nfs/dbraw/zinc/48/93/21/702489321.db2.gz RVOCONQXITWTRC-UHFFFAOYSA-N 0 3 316.195 1.968 20 10 DDCDHN COC[C@@]1(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])CCC[NH2+]1 ZINC000817974203 702540729 /nfs/dbraw/zinc/54/07/29/702540729.db2.gz JIPHSEKISFQNIG-SJCJKPOMSA-N 0 3 322.405 1.598 20 10 DDCDHN C[C@H]1NCCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H]1C ZINC000841758411 702557549 /nfs/dbraw/zinc/55/75/49/702557549.db2.gz HBQMJPFTMPATPZ-ZIAGYGMSSA-N 0 3 316.449 1.961 20 10 DDCDHN [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843123615 702824131 /nfs/dbraw/zinc/82/41/31/702824131.db2.gz SVUCYXJHCSCJRM-ZDUSSCGKSA-N 0 3 313.804 1.664 20 10 DDCDHN C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(Cl)ccc1[O-] ZINC000843428570 702879683 /nfs/dbraw/zinc/87/96/83/702879683.db2.gz KSOFEXYPDGGIBU-NSHDSACASA-N 0 3 311.813 1.597 20 10 DDCDHN CCN(CC)c1ccc(CN2C[C@H](O)C[C@H](C(=O)OC)C2)cc1 ZINC000843434290 702880877 /nfs/dbraw/zinc/88/08/77/702880877.db2.gz JONMLMOJSNHXGU-DOTOQJQBSA-N 0 3 320.433 1.889 20 10 DDCDHN C[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1[O-] ZINC000879648177 706749724 /nfs/dbraw/zinc/74/97/24/706749724.db2.gz BWKILCRHKJHDAX-GFCCVEGCSA-N 0 3 317.389 1.907 20 10 DDCDHN CCc1cccc(CN2CCC[C@H](NS(C)(=O)=O)C2)c1O ZINC000848882338 703597631 /nfs/dbraw/zinc/59/76/31/703597631.db2.gz ZHWHJQGGXHFLKW-AWEZNQCLSA-N 0 3 312.435 1.468 20 10 DDCDHN Cn1cc(CNCc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850405828 703729895 /nfs/dbraw/zinc/72/98/95/703729895.db2.gz GNWBMBNCJPQABH-UHFFFAOYSA-N 0 3 300.406 1.671 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@H]2C[C@@H](O)C23CCC3)cc1 ZINC000852584401 704082039 /nfs/dbraw/zinc/08/20/39/704082039.db2.gz MOIHAXGYLPSQDQ-JKSUJKDBSA-N 0 3 317.433 1.262 20 10 DDCDHN COC[C@]1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCCCN1 ZINC000876878707 705903892 /nfs/dbraw/zinc/90/38/92/705903892.db2.gz JMKMGIHMIQLQQP-SJCJKPOMSA-N 0 3 322.405 1.737 20 10 DDCDHN NC(C(=O)NCc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC000827007878 705911556 /nfs/dbraw/zinc/91/15/56/705911556.db2.gz FUMLPZBWXWGXAE-GFCCVEGCSA-N 0 3 301.312 1.793 20 10 DDCDHN COCCC(=O)N1CCC([NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000877088842 705980242 /nfs/dbraw/zinc/98/02/42/705980242.db2.gz KCMIDMVWNIQJMG-UHFFFAOYSA-N 0 3 306.406 1.818 20 10 DDCDHN CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2[O-])CC12COC2 ZINC000877557801 706142245 /nfs/dbraw/zinc/14/22/45/706142245.db2.gz PXVQVZBFBFUFKT-CQSZACIVSA-N 0 3 305.374 1.712 20 10 DDCDHN CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C)cc2[O-])CC12COC2 ZINC000877557801 706142247 /nfs/dbraw/zinc/14/22/47/706142247.db2.gz PXVQVZBFBFUFKT-CQSZACIVSA-N 0 3 305.374 1.712 20 10 DDCDHN CC(C)(O)C[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000878239874 706335500 /nfs/dbraw/zinc/33/55/00/706335500.db2.gz ALPMSZBCKARQRY-HZPDHXFCSA-N 0 3 323.433 1.895 20 10 DDCDHN CC(C)(O)C[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000878239874 706335502 /nfs/dbraw/zinc/33/55/02/706335502.db2.gz ALPMSZBCKARQRY-HZPDHXFCSA-N 0 3 323.433 1.895 20 10 DDCDHN CCOc1ccc(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)c([O-])c1 ZINC000865655623 706488604 /nfs/dbraw/zinc/48/86/04/706488604.db2.gz KMHKVHCRJNMZIY-AWEZNQCLSA-N 0 3 308.422 1.726 20 10 DDCDHN COC[C@H](CCO)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873058082 707713006 /nfs/dbraw/zinc/71/30/06/707713006.db2.gz IZTHSVJCLYLOHS-INIZCTEOSA-N 0 3 319.405 1.427 20 10 DDCDHN CO[C@@H]1COC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000839193964 708035019 /nfs/dbraw/zinc/03/50/19/708035019.db2.gz YNKZCMJOSIUPHO-GOEBONIOSA-N 0 3 310.369 1.166 20 10 DDCDHN COCCNC(=O)C1(N[C@H](C)c2cc(OC)ccc2O)CC1 ZINC000839193163 708035027 /nfs/dbraw/zinc/03/50/27/708035027.db2.gz QDJPIKFUOBTCHE-LLVKDONJSA-N 0 3 308.378 1.347 20 10 DDCDHN Cc1cccc(C[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1O ZINC000898156810 708559771 /nfs/dbraw/zinc/55/97/71/708559771.db2.gz ZEXWDUBXNMJSGT-ZDUSSCGKSA-N 0 3 300.362 1.565 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2C[C@H](O)C2)N(C)C)cc1 ZINC000899097830 708982281 /nfs/dbraw/zinc/98/22/81/708982281.db2.gz HNSDMEZULYPITI-FVQBIDKESA-N 0 3 320.437 1.178 20 10 DDCDHN C/C=C/[C@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246844 710140613 /nfs/dbraw/zinc/14/06/13/710140613.db2.gz QGIWKPPDSOOROX-ZWOPJXCPSA-N 0 3 305.422 1.409 20 10 DDCDHN CO[C@]1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCS(=O)(=O)C1 ZINC000903365334 711105669 /nfs/dbraw/zinc/10/56/69/711105669.db2.gz MBZNETWKVATEQB-WFASDCNBSA-N 0 3 313.419 1.555 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)NOCC2CC2)N(C)C)cc1 ZINC000895045306 711383750 /nfs/dbraw/zinc/38/37/50/711383750.db2.gz VYNLLHFTUOJLLF-MRXNPFEDSA-N 0 3 320.437 1.996 20 10 DDCDHN COc1ccc(N2CCCN(CCN3CCOC3=O)CC2)cc1 ZINC000917208341 713487450 /nfs/dbraw/zinc/48/74/50/713487450.db2.gz AHQOUPOSZXPQAV-UHFFFAOYSA-N 0 3 319.405 1.660 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CNCCS2(=O)=O)c([O-])c1 ZINC000925801899 714938755 /nfs/dbraw/zinc/93/87/55/714938755.db2.gz YPJOFSOYORDQFG-OLZOCXBDSA-N 0 3 312.435 1.128 20 10 DDCDHN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](NCCF)C2)cc1 ZINC000970838057 720953714 /nfs/dbraw/zinc/95/37/14/720953714.db2.gz RVWJHFWFJZKHMT-GFCCVEGCSA-N 0 3 307.329 1.623 20 10 DDCDHN CN1CCN(c2ccc(CNc3cccc(=O)n3C)cc2)CC1 ZINC001167434888 733481801 /nfs/dbraw/zinc/48/18/01/733481801.db2.gz YFGMYSATFWORBS-UHFFFAOYSA-N 0 3 312.417 1.749 20 10 DDCDHN O=C(c1cc(O)c([O-])c(O)c1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001148583236 773538546 /nfs/dbraw/zinc/53/85/46/773538546.db2.gz UZSZJWWAZOPNOM-UHFFFAOYSA-N 0 3 318.373 1.361 20 10 DDCDHN O=C(c1cc(O)c([O-])c(O)c1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001148583236 773538549 /nfs/dbraw/zinc/53/85/49/773538549.db2.gz UZSZJWWAZOPNOM-UHFFFAOYSA-N 0 3 318.373 1.361 20 10 DDCDHN CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2[O-])C1=O ZINC001272618708 846416966 /nfs/dbraw/zinc/41/69/66/846416966.db2.gz NNJJWEQGNIYHQV-GOSISDBHSA-N 0 3 318.417 1.996 20 10 DDCDHN CCOCCN1CC[C@]2(CCC[N@H+]2Cc2ccccc2[O-])C1=O ZINC001272618708 846416978 /nfs/dbraw/zinc/41/69/78/846416978.db2.gz NNJJWEQGNIYHQV-GOSISDBHSA-N 0 3 318.417 1.996 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCN(C)C3=O)C2)c(OC)c1 ZINC001272816064 847494599 /nfs/dbraw/zinc/49/45/99/847494599.db2.gz YLFHFHSPBFYZLW-KRWDZBQOSA-N 0 3 320.389 1.464 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c(OC)c1 ZINC001272816064 847494604 /nfs/dbraw/zinc/49/46/04/847494604.db2.gz YLFHFHSPBFYZLW-KRWDZBQOSA-N 0 3 320.389 1.464 20 10 DDCDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CC(=O)N1C ZINC001327067630 861848179 /nfs/dbraw/zinc/84/81/79/861848179.db2.gz LDNUGHNRXRJKIX-HNNXBMFYSA-N 0 3 316.449 1.101 20 10 DDCDHN COC(=O)[C@@H]1C[C@H](O)CN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001327107113 861892490 /nfs/dbraw/zinc/89/24/90/861892490.db2.gz KFJATDNQBSICSK-WBVHZDCISA-N 0 3 318.417 1.643 20 10 DDCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c1[O-] ZINC001274100286 851925886 /nfs/dbraw/zinc/92/58/86/851925886.db2.gz ZOOKKSDGKYWYNT-QGZVFWFLSA-N 0 3 320.364 1.811 20 10 DDCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c1[O-] ZINC001274100286 851925889 /nfs/dbraw/zinc/92/58/89/851925889.db2.gz ZOOKKSDGKYWYNT-QGZVFWFLSA-N 0 3 320.364 1.811 20 10 DDCDHN C[NH+](C)CCN1CCC12CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001275276655 852945463 /nfs/dbraw/zinc/94/54/63/852945463.db2.gz NWYKIEVRGGURAM-UHFFFAOYSA-N 0 3 309.841 1.867 20 10 DDCDHN Oc1ccc(O)c(CN2CC[C@H](Oc3ncc(F)cn3)C2)c1 ZINC001141163106 860799571 /nfs/dbraw/zinc/79/95/71/860799571.db2.gz PFLLXCTTWJZZRP-ZDUSSCGKSA-N 0 3 305.309 1.680 20 10 DDCDHN O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCN1C1CCOCC1 ZINC001156911614 863440900 /nfs/dbraw/zinc/44/09/00/863440900.db2.gz OHOIBJCPHUSCOR-CQSZACIVSA-N 0 3 320.389 1.010 20 10 DDCDHN NS(=O)(=O)CCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC001329425626 863659456 /nfs/dbraw/zinc/65/94/56/863659456.db2.gz JUBRLMKCYDFBJB-UHFFFAOYSA-N 0 3 312.435 1.815 20 10 DDCDHN NS(=O)(=O)CCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC001329425626 863659462 /nfs/dbraw/zinc/65/94/62/863659462.db2.gz JUBRLMKCYDFBJB-UHFFFAOYSA-N 0 3 312.435 1.815 20 10 DDCDHN CN1CCN(c2ccc(CNCC3OCCCO3)cc2F)CC1 ZINC001333513743 866803319 /nfs/dbraw/zinc/80/33/19/866803319.db2.gz DLJMTLGLXLQAJX-UHFFFAOYSA-N 0 3 323.412 1.430 20 10 DDCDHN CC[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)NC ZINC001324677797 867448523 /nfs/dbraw/zinc/44/85/23/867448523.db2.gz YXTCXEBEDRPWIK-HNNXBMFYSA-N 0 3 322.428 1.192 20 10 DDCDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[C@H]1O ZINC001321504958 867634608 /nfs/dbraw/zinc/63/46/08/867634608.db2.gz OLJJORFPAMNIEK-KBXCAEBGSA-N 0 3 321.440 1.780 20 10 DDCDHN COc1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)c([O-])c1 ZINC001203621388 870676988 /nfs/dbraw/zinc/67/69/88/870676988.db2.gz CMXQANVCYHAGPF-BMFZPTHFSA-N 0 3 320.389 1.221 20 10 DDCDHN COc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)c([O-])c1 ZINC001203621388 870676995 /nfs/dbraw/zinc/67/69/95/870676995.db2.gz CMXQANVCYHAGPF-BMFZPTHFSA-N 0 3 320.389 1.221 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204272512 871028977 /nfs/dbraw/zinc/02/89/77/871028977.db2.gz CAXJORVDOOSMDQ-NVXWUHKLSA-N 0 3 320.389 1.310 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204272512 871028993 /nfs/dbraw/zinc/02/89/93/871028993.db2.gz CAXJORVDOOSMDQ-NVXWUHKLSA-N 0 3 320.389 1.310 20 10 DDCDHN O=C1c2cccc(O[C@@H]3CC[NH2+]C3)c2C(=O)c2cccc([O-])c21 ZINC001218038830 877376688 /nfs/dbraw/zinc/37/66/88/877376688.db2.gz ZGBZWDVWVSJPGH-SNVBAGLBSA-N 0 3 309.321 1.908 20 10 DDCDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(N)cc1 ZINC001357792131 880197763 /nfs/dbraw/zinc/19/77/63/880197763.db2.gz STWMLMGFGZTCQU-CQSZACIVSA-N 0 3 319.453 1.094 20 10 DDCDHN O=C(Nc1nnco1)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2 ZINC001277442496 884298277 /nfs/dbraw/zinc/29/82/77/884298277.db2.gz WMNQFZBXVJFRBN-UHFFFAOYSA-N 0 3 300.318 1.426 20 10 DDCDHN COc1ccc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(N)=O)C2)c([O-])c1 ZINC001277453542 884430299 /nfs/dbraw/zinc/43/02/99/884430299.db2.gz AMHWGJFLYMSLQE-RHSMWYFYSA-N 0 3 304.390 1.878 20 10 DDCDHN COc1ccc(C[N@H+]2CC[C@]3(CCC[C@@H]3C(N)=O)C2)c([O-])c1 ZINC001277453542 884430306 /nfs/dbraw/zinc/43/03/06/884430306.db2.gz AMHWGJFLYMSLQE-RHSMWYFYSA-N 0 3 304.390 1.878 20 10 DDCDHN CN(C)c1ccc(CN2CC(N(C)[C@@H]3CCOC3)C2)c(O)c1 ZINC001232840106 886626610 /nfs/dbraw/zinc/62/66/10/886626610.db2.gz NCHYMSMRSXATSA-OAHLLOKOSA-N 0 3 305.422 1.363 20 10 DDCDHN CN(C)C(=O)[C@@H]1CC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001233484516 887014200 /nfs/dbraw/zinc/01/42/00/887014200.db2.gz NGELMYZGZJLMMS-LBPRGKRZSA-N 0 3 320.389 1.494 20 10 DDCDHN CCN1C(=O)CCC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001233483889 887014919 /nfs/dbraw/zinc/01/49/19/887014919.db2.gz PRZNWCHAKZFOGB-UHFFFAOYSA-N 0 3 320.389 1.780 20 10 DDCDHN COC(=O)[C@@H]1CNCCN1Cc1cc2ccccc2cc1O ZINC001236058285 889086341 /nfs/dbraw/zinc/08/63/41/889086341.db2.gz NEXGWVPZNUOXNK-HNNXBMFYSA-N 0 3 300.358 1.492 20 10 DDCDHN COc1cc(C)c(C[NH+]2CCC3(CNC(=O)N3)CC2)c([O-])c1 ZINC001236820289 889371785 /nfs/dbraw/zinc/37/17/85/889371785.db2.gz KMVWDUKMCQXSNN-UHFFFAOYSA-N 0 3 305.378 1.357 20 10 DDCDHN COc1cc(CN(C)CCc2noc(C)n2)c(O)c(OC)c1 ZINC001237671124 889794909 /nfs/dbraw/zinc/79/49/09/889794909.db2.gz YNMOUEQAGRPIEM-UHFFFAOYSA-N 0 3 307.350 1.775 20 10 DDCDHN Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(O)cc2[O-])cc1 ZINC001253844770 896139534 /nfs/dbraw/zinc/13/95/34/896139534.db2.gz WSULHVMZQHFSPQ-OAHLLOKOSA-N 0 3 303.358 1.936 20 10 DDCDHN CN(C)[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCN3C)C1 ZINC000376241309 223691773 /nfs/dbraw/zinc/69/17/73/223691773.db2.gz SQJZIHKUNNGAMK-MRXNPFEDSA-N 0 3 316.449 1.915 20 10 DDCDHN COCCOCCOCCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000274346828 130228258 /nfs/dbraw/zinc/22/82/58/130228258.db2.gz ACMPJPJSFUOPIZ-UHFFFAOYSA-N 0 3 313.394 1.560 20 10 DDCDHN O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000285506597 131175235 /nfs/dbraw/zinc/17/52/35/131175235.db2.gz NOHYRNSEEDURBK-CYBMUJFWSA-N 0 3 310.419 1.438 20 10 DDCDHN O=C([C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1)N1CCCC1 ZINC000288646847 131334102 /nfs/dbraw/zinc/33/41/02/131334102.db2.gz QSMUCSOXYQUXLB-LBPRGKRZSA-N 0 3 318.373 1.565 20 10 DDCDHN O=C([C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1)N1CCCC1 ZINC000288646847 131334104 /nfs/dbraw/zinc/33/41/04/131334104.db2.gz QSMUCSOXYQUXLB-LBPRGKRZSA-N 0 3 318.373 1.565 20 10 DDCDHN C[C@H](NCc1cc2c(cc1O)OCO2)C(=O)NCc1ccco1 ZINC000111399370 407409855 /nfs/dbraw/zinc/40/98/55/407409855.db2.gz MNFSAZWMBVJORD-JTQLQIEISA-N 0 3 318.329 1.508 20 10 DDCDHN Cc1ccc(O)c(CN2CCN(CCC(=O)N(C)C)CC2)c1 ZINC000271163347 407546980 /nfs/dbraw/zinc/54/69/80/407546980.db2.gz AHPAEUMLVCZAMU-UHFFFAOYSA-N 0 3 305.422 1.297 20 10 DDCDHN COc1ccc([O-])c(C[NH+]2CCC(c3nncn3C)CC2)c1 ZINC000179753487 407829624 /nfs/dbraw/zinc/82/96/24/407829624.db2.gz YORUAQCNUWTSIN-UHFFFAOYSA-N 0 3 302.378 1.909 20 10 DDCDHN CCN(CCO)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000187569292 407869341 /nfs/dbraw/zinc/86/93/41/407869341.db2.gz SKYBZWYZDRKVIM-UHFFFAOYSA-N 0 3 302.802 1.458 20 10 DDCDHN NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272346264 407878835 /nfs/dbraw/zinc/87/88/35/407878835.db2.gz ZRDZDYJTRMQFSC-JTQLQIEISA-N 0 3 302.371 1.032 20 10 DDCDHN NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272346264 407878837 /nfs/dbraw/zinc/87/88/37/407878837.db2.gz ZRDZDYJTRMQFSC-JTQLQIEISA-N 0 3 302.371 1.032 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CCN2CCC(O)CC2)c1[O-] ZINC000294997531 409307507 /nfs/dbraw/zinc/30/75/07/409307507.db2.gz ZQHYZCXPKULVGY-UHFFFAOYSA-N 0 3 314.813 1.601 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)NCc1ccc(OC)c(C)c1 ZINC000295086325 409318632 /nfs/dbraw/zinc/31/86/32/409318632.db2.gz QZXWJSDZJGVXBD-CYBMUJFWSA-N 0 3 300.424 1.421 20 10 DDCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([O-])c1 ZINC000366485474 418479875 /nfs/dbraw/zinc/47/98/75/418479875.db2.gz WKPVSQIYMKHCBN-UONOGXRCSA-N 0 3 318.373 1.276 20 10 DDCDHN CCCOc1ccc(C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([O-])c1 ZINC000366485474 418479878 /nfs/dbraw/zinc/47/98/78/418479878.db2.gz WKPVSQIYMKHCBN-UONOGXRCSA-N 0 3 318.373 1.276 20 10 DDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c1[O-] ZINC000366541902 418486651 /nfs/dbraw/zinc/48/66/51/418486651.db2.gz AVKBCKSBLPKWDU-NEPJUHHUSA-N 0 3 308.765 1.449 20 10 DDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c1[O-] ZINC000366541902 418486652 /nfs/dbraw/zinc/48/66/52/418486652.db2.gz AVKBCKSBLPKWDU-NEPJUHHUSA-N 0 3 308.765 1.449 20 10 DDCDHN COc1cccc(C[NH2+]C2CCN(c3ncccn3)CC2)c1[O-] ZINC000237366196 222208038 /nfs/dbraw/zinc/20/80/38/222208038.db2.gz LKOHZTNNVWGUIP-UHFFFAOYSA-N 0 3 314.389 1.949 20 10 DDCDHN O=C1CC[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@@H](C2CC2)N1 ZINC000370286785 418742571 /nfs/dbraw/zinc/74/25/71/418742571.db2.gz YSCRBZADIOGTAQ-MEDUHNTESA-N 0 3 304.346 1.268 20 10 DDCDHN COc1cccc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2)c1[O-] ZINC000371716064 418811587 /nfs/dbraw/zinc/81/15/87/418811587.db2.gz UWBUOTTWROFHBR-CYBMUJFWSA-N 0 3 302.378 1.503 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000365192618 418842031 /nfs/dbraw/zinc/84/20/31/418842031.db2.gz RNKOJZWAMDAZOX-FUHWJXTLSA-N 0 3 317.433 1.526 20 10 DDCDHN O=C(c1cn[n-]c1[C@@H]1CC[NH2+]C1)N1CCc2ccc(F)cc21 ZINC000662424447 424626782 /nfs/dbraw/zinc/62/67/82/424626782.db2.gz STERMOQGTHRIAP-LLVKDONJSA-N 0 3 300.337 1.829 20 10 DDCDHN COC(=O)[C@H]1CC12CC[NH+](Cc1cc3c(cc1[O-])OCO3)CC2 ZINC000265071898 523945678 /nfs/dbraw/zinc/94/56/78/523945678.db2.gz PJESUTZLJKVWAQ-GFCCVEGCSA-N 0 3 319.357 1.896 20 10 DDCDHN CSCC[C@@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000157364040 525544710 /nfs/dbraw/zinc/54/47/10/525544710.db2.gz YNIGTFGVFSKIMS-CQSZACIVSA-N 0 3 308.447 1.968 20 10 DDCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC1CC1 ZINC000747815683 700087862 /nfs/dbraw/zinc/08/78/62/700087862.db2.gz LFAQHZOMMNOUKP-KBPBESRZSA-N 0 3 317.433 1.841 20 10 DDCDHN CN1CCC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000748241960 700107639 /nfs/dbraw/zinc/10/76/39/700107639.db2.gz HTNICZHVSSMALX-HNNXBMFYSA-N 0 3 321.396 1.373 20 10 DDCDHN CCNC(=O)CN(CC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775646754 698018626 /nfs/dbraw/zinc/01/86/26/698018626.db2.gz NVGZXYNJMSBPAB-UHFFFAOYSA-N 0 3 318.465 1.396 20 10 DDCDHN C[C@@H]1CO[C@@H](CO)CN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775742625 698028380 /nfs/dbraw/zinc/02/83/80/698028380.db2.gz VTYQHIXOAIOFSL-CRAIPNDOSA-N 0 3 319.449 1.020 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)COC1(C)CNC1 ZINC000318018564 698702632 /nfs/dbraw/zinc/70/26/32/698702632.db2.gz SYXCQDMQISAODN-UHFFFAOYSA-N 0 3 305.422 1.480 20 10 DDCDHN CC(C)NC(=O)[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000389139968 699087693 /nfs/dbraw/zinc/08/76/93/699087693.db2.gz YBJCJVPXVKWBGX-CQSZACIVSA-N 0 3 305.422 1.526 20 10 DDCDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1ccccc1O ZINC000389804276 699090393 /nfs/dbraw/zinc/09/03/93/699090393.db2.gz ZOJRBXYIFKUSLI-QEORTHHSSA-N 0 3 304.390 1.541 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2COCC[C@H]2OC)c1[O-] ZINC000724887258 699327742 /nfs/dbraw/zinc/32/77/42/699327742.db2.gz OZEUZRRFGLZARS-VXGBXAGGSA-N 0 3 301.770 1.948 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C)C[C@@H]1C)cc2=O ZINC000740883331 699804553 /nfs/dbraw/zinc/80/45/53/699804553.db2.gz NNCOVVBJJDCSBK-QWRGUYRKSA-N 0 3 318.377 1.842 20 10 DDCDHN C[C@H]([NH2+]C[C@H](O)CN(C)C)c1cc(Br)ccc1[O-] ZINC000756558298 700628231 /nfs/dbraw/zinc/62/82/31/700628231.db2.gz ZDGTVNLZZPQGCQ-ONGXEEELSA-N 0 3 317.227 1.728 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCN2C)c2c1c(F)ccc2[O-] ZINC000756568455 700629799 /nfs/dbraw/zinc/62/97/99/700629799.db2.gz FKECZZXNTPCSHU-DYEKYZERSA-N 0 3 307.413 1.915 20 10 DDCDHN C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc(F)ccc1[O-] ZINC000756687280 700635118 /nfs/dbraw/zinc/63/51/18/700635118.db2.gz LDVHYXZQKAJTAB-NSHDSACASA-N 0 3 316.398 1.608 20 10 DDCDHN CCN(CCO)CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000769510973 701248070 /nfs/dbraw/zinc/24/80/70/701248070.db2.gz VQLNKUBQADDRET-UHFFFAOYSA-N 0 3 322.453 1.174 20 10 DDCDHN Cn1nnnc1CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000771877709 701335276 /nfs/dbraw/zinc/33/52/76/701335276.db2.gz SAJDESQQHFIOLH-UHFFFAOYSA-N 0 3 309.373 1.915 20 10 DDCDHN COC(=O)C[C@@]1(NCc2ccc(N(C)C)c(C)c2)CCOC1 ZINC000815092522 701797632 /nfs/dbraw/zinc/79/76/32/701797632.db2.gz JDAFNNGRMJCPHF-KRWDZBQOSA-N 0 3 306.406 1.873 20 10 DDCDHN C[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1O ZINC000868217716 702004693 /nfs/dbraw/zinc/00/46/93/702004693.db2.gz VDMMSFDLRKPYBZ-MJBXVCDLSA-N 0 3 319.405 1.616 20 10 DDCDHN C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](C)CN1 ZINC000841832245 702576227 /nfs/dbraw/zinc/57/62/27/702576227.db2.gz LJFRTTQJVYZOTN-GJZGRUSLSA-N 0 3 314.433 1.955 20 10 DDCDHN C[C@H](NC(=O)NCCc1ccc(N)cc1)C1=CCN(C)CC1 ZINC000841873496 702600851 /nfs/dbraw/zinc/60/08/51/702600851.db2.gz ZBGFKQSMDZZRLV-ZDUSSCGKSA-N 0 3 302.422 1.761 20 10 DDCDHN CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000879652174 706749995 /nfs/dbraw/zinc/74/99/95/706749995.db2.gz WRZQPKHLQUGNCG-QWHCGFSZSA-N 0 3 319.405 1.122 20 10 DDCDHN C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000879651410 706750084 /nfs/dbraw/zinc/75/00/84/706750084.db2.gz UNAHVJKEAIWXQC-STQMWFEESA-N 0 3 312.435 1.714 20 10 DDCDHN C[C@H]([NH2+]CC(=O)NCCCN1CCCC1=O)c1ccccc1[O-] ZINC000879652100 706750137 /nfs/dbraw/zinc/75/01/37/706750137.db2.gz WGLUZZHGBXBTNB-ZDUSSCGKSA-N 0 3 319.405 1.172 20 10 DDCDHN CCc1cccc(CN2CCC[C@H]2C(=O)NCC(=O)OC)c1O ZINC000848918212 703603580 /nfs/dbraw/zinc/60/35/80/703603580.db2.gz SHZSEEHLLLLCKF-AWEZNQCLSA-N 0 3 320.389 1.208 20 10 DDCDHN CCn1nnc(C)c1CN[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850347345 703725757 /nfs/dbraw/zinc/72/57/57/703725757.db2.gz QPJLPGFCQKACQO-AWEZNQCLSA-N 0 3 315.421 1.984 20 10 DDCDHN CCOc1ccc(O)c(CN[C@H]2CC[C@H](C)S(=O)(=O)C2)c1 ZINC000850368031 703727885 /nfs/dbraw/zinc/72/78/85/703727885.db2.gz HQOCBJJTHIJIGT-AAEUAGOBSA-N 0 3 313.419 1.846 20 10 DDCDHN CCOc1ccc(C[NH2+]CC2(S(=O)(=O)CC)CC2)c([O-])c1 ZINC000850397520 703729729 /nfs/dbraw/zinc/72/97/29/703729729.db2.gz HADSKYMZAWWWJS-UHFFFAOYSA-N 0 3 313.419 1.848 20 10 DDCDHN COc1ccc(N2CC[C@H](N[C@@H](C)CS(C)(=O)=O)C2)cc1 ZINC000850489627 703733513 /nfs/dbraw/zinc/73/35/13/703733513.db2.gz WDZGBRVAMYKROX-STQMWFEESA-N 0 3 312.435 1.297 20 10 DDCDHN CNS(=O)(=O)c1ccc(CN(C)Cc2ccccc2O)cc1 ZINC000851840217 703868011 /nfs/dbraw/zinc/86/80/11/703868011.db2.gz CHEAYSWMIWXIOS-UHFFFAOYSA-N 0 3 320.414 1.932 20 10 DDCDHN CNS(=O)(=O)c1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000851840217 703868013 /nfs/dbraw/zinc/86/80/13/703868013.db2.gz CHEAYSWMIWXIOS-UHFFFAOYSA-N 0 3 320.414 1.932 20 10 DDCDHN CNS(=O)(=O)c1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000851840217 703868015 /nfs/dbraw/zinc/86/80/15/703868015.db2.gz CHEAYSWMIWXIOS-UHFFFAOYSA-N 0 3 320.414 1.932 20 10 DDCDHN C[NH+](C)CCC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000856430579 704528537 /nfs/dbraw/zinc/52/85/37/704528537.db2.gz ZBHWHSLADSIBBL-GFCCVEGCSA-N 0 3 308.378 1.281 20 10 DDCDHN CN(C)c1cc(F)c(CNCC[C@]2(O)CCOC2)cc1F ZINC000858184288 704675141 /nfs/dbraw/zinc/67/51/41/704675141.db2.gz KEDCMQXJPXASMX-HNNXBMFYSA-N 0 3 300.349 1.662 20 10 DDCDHN CNC(=O)[C@@H]1CCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876619625 705786707 /nfs/dbraw/zinc/78/67/07/705786707.db2.gz AESIEMOFJAEYLD-KRWDZBQOSA-N 0 3 317.433 1.358 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000877076075 705977919 /nfs/dbraw/zinc/97/79/19/705977919.db2.gz JLWAKXQAJLLGGK-SJCJKPOMSA-N 0 3 317.389 1.511 20 10 DDCDHN CCN(C)C(=O)CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877423407 706101611 /nfs/dbraw/zinc/10/16/11/706101611.db2.gz ZGOLLXVSYJGFLZ-UHFFFAOYSA-N 0 3 305.422 1.216 20 10 DDCDHN Cc1ccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c([O-])c1 ZINC000877502050 706125383 /nfs/dbraw/zinc/12/53/83/706125383.db2.gz ZMEGODBARUGQRH-JSGCOSHPSA-N 0 3 312.435 1.508 20 10 DDCDHN CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)O1 ZINC000834702580 707104700 /nfs/dbraw/zinc/10/47/00/707104700.db2.gz RPQWOSYZZOZAMF-NFAWXSAZSA-N 0 3 304.390 1.605 20 10 DDCDHN CN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCCCN(C)C1=O ZINC000872676345 707554074 /nfs/dbraw/zinc/55/40/74/707554074.db2.gz QZIJSULPRBMOJB-ZFWWWQNUSA-N 0 3 320.389 1.261 20 10 DDCDHN COc1ccc(N2CCCN(C(=O)[C@H](N)CC3CC3)CC2)cc1 ZINC000884197671 708183899 /nfs/dbraw/zinc/18/38/99/708183899.db2.gz AVFLJSTUBUPMMP-QGZVFWFLSA-N 0 3 317.433 1.861 20 10 DDCDHN CN(C)c1ccc([C@@H](CNCc2cn(C)nn2)N(C)C)cc1 ZINC000898451891 708645120 /nfs/dbraw/zinc/64/51/20/708645120.db2.gz QDBGSTJEPREICZ-MRXNPFEDSA-N 0 3 302.426 1.274 20 10 DDCDHN C[C@H](O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099115 708982524 /nfs/dbraw/zinc/98/25/24/708982524.db2.gz VPVBNSNRHCMHSV-XJKSGUPXSA-N 0 3 322.453 1.425 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)CCCO)N(C)C)cc1 ZINC000899102025 708983385 /nfs/dbraw/zinc/98/33/85/708983385.db2.gz JTVWCADATQLOCQ-MRXNPFEDSA-N 0 3 322.453 1.379 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCCO2)N(C)C)cc1 ZINC000899101502 708983703 /nfs/dbraw/zinc/98/37/03/708983703.db2.gz INPRXJFXIPOSLT-OAHLLOKOSA-N 0 3 306.410 1.702 20 10 DDCDHN Cc1n[nH]cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251597 710141753 /nfs/dbraw/zinc/14/17/53/710141753.db2.gz CBEZBHTZAMPBMU-MRXNPFEDSA-N 0 3 315.421 1.817 20 10 DDCDHN C[C@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CN2CCC1CC2 ZINC000912375356 711299806 /nfs/dbraw/zinc/29/98/06/711299806.db2.gz FWBXCFGMDFDLLZ-RCFWFJCLSA-N 0 3 302.374 1.712 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2COCO2)c1[O-] ZINC000894876721 711305419 /nfs/dbraw/zinc/30/54/19/711305419.db2.gz UTHGCAFNCNOTKX-NSHDSACASA-N 0 3 302.168 1.926 20 10 DDCDHN COC(=O)[C@]1(O)CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000895707495 711584326 /nfs/dbraw/zinc/58/43/26/711584326.db2.gz LSLREJFVQMVKLR-SFHVURJKSA-N 0 3 318.417 1.787 20 10 DDCDHN CCOc1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCOCC3)c([O-])c1 ZINC000923022123 714216691 /nfs/dbraw/zinc/21/66/91/714216691.db2.gz WUAWDLQEJCYFLF-JKSUJKDBSA-N 0 3 307.390 1.811 20 10 DDCDHN CO[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001116442902 780510458 /nfs/dbraw/zinc/51/04/58/780510458.db2.gz WMSXNYPHCJESBJ-HNNXBMFYSA-N 0 3 307.413 1.798 20 10 DDCDHN Cc1cc(F)cc(CN2CC[C@]3(C2)CN(C)C(=O)CO3)c1O ZINC001274099384 851926809 /nfs/dbraw/zinc/92/68/09/851926809.db2.gz GBXMBCNDCIBUDH-MRXNPFEDSA-N 0 3 308.353 1.273 20 10 DDCDHN CN1CC[C@]2(CCCN(Cc3cc(O)c(O)c(O)c3)CC2)C1=O ZINC001274837514 852628273 /nfs/dbraw/zinc/62/82/73/852628273.db2.gz YWGXABIUCWUOBA-KRWDZBQOSA-N 0 3 320.389 1.638 20 10 DDCDHN CO[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1F ZINC001139407954 860389986 /nfs/dbraw/zinc/38/99/86/860389986.db2.gz HSUMMICZASLRRV-DLBZAZTESA-N 0 3 307.413 1.607 20 10 DDCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001140054487 860565697 /nfs/dbraw/zinc/56/56/97/860565697.db2.gz RULQFDCBSRHDOZ-OKILXGFUSA-N 0 3 314.364 1.890 20 10 DDCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001140054487 860565700 /nfs/dbraw/zinc/56/57/00/860565700.db2.gz RULQFDCBSRHDOZ-OKILXGFUSA-N 0 3 314.364 1.890 20 10 DDCDHN Fc1cc(N2CCOCC2)ccc1CN1CCN2CC[C@H]2C1 ZINC001140667388 860671087 /nfs/dbraw/zinc/67/10/87/860671087.db2.gz QUGDGHBGDYPVAX-INIZCTEOSA-N 0 3 305.397 1.552 20 10 DDCDHN COc1cc(O)c(CN2CCC(NC(N)=O)CC2)c(OC)c1 ZINC001141032096 860768373 /nfs/dbraw/zinc/76/83/73/860768373.db2.gz RZFHDFWJFNKBFS-UHFFFAOYSA-N 0 3 309.366 1.042 20 10 DDCDHN OC[C@H]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)C[C@H]1O ZINC001141074446 860783045 /nfs/dbraw/zinc/78/30/45/860783045.db2.gz HXDUPYRHMUOULH-QZTJIDSGSA-N 0 3 316.445 1.561 20 10 DDCDHN COc1ccc(N2CCN(C)C[C@]3(CCCC(=O)N3)C2)cc1F ZINC001277009123 881608370 /nfs/dbraw/zinc/60/83/70/881608370.db2.gz FWVXOVGAUJYJHD-QGZVFWFLSA-N 0 3 321.396 1.625 20 10 DDCDHN CN(C)C(=O)NCCN(C)Cc1ccc(N2CCCC2)cc1 ZINC001320430429 866730803 /nfs/dbraw/zinc/73/08/03/866730803.db2.gz UAOQXQVYHJBADV-UHFFFAOYSA-N 0 3 304.438 1.990 20 10 DDCDHN CN1CCN(c2ccc(CN[C@]34C[C@H]3COC4)cc2F)CC1 ZINC001333681903 866932442 /nfs/dbraw/zinc/93/24/42/866932442.db2.gz AGDWGDRIHIZYEC-YOEHRIQHSA-N 0 3 305.397 1.456 20 10 DDCDHN OCc1cnccc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001334127944 867315812 /nfs/dbraw/zinc/31/58/12/867315812.db2.gz YGNHSXBMSMFDEQ-UHFFFAOYSA-N 0 3 317.364 1.584 20 10 DDCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1COCCO1 ZINC001335457860 868310608 /nfs/dbraw/zinc/31/06/08/868310608.db2.gz YIJVCAISBPYZPA-JKSUJKDBSA-N 0 3 307.390 1.789 20 10 DDCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1COCCO1 ZINC001335457860 868310622 /nfs/dbraw/zinc/31/06/22/868310622.db2.gz YIJVCAISBPYZPA-JKSUJKDBSA-N 0 3 307.390 1.789 20 10 DDCDHN COCCN(C)C(=O)C12CC([NH2+]Cc3ccc(O)cc3[O-])(C1)C2 ZINC001277190430 882916919 /nfs/dbraw/zinc/91/69/19/882916919.db2.gz GSISZAODYKSZEN-UHFFFAOYSA-N 0 3 320.389 1.215 20 10 DDCDHN COc1ccc(C[NH2+]C23CC(C(=O)N4CC=CC4)(C2)C3)c([O-])c1 ZINC001277456231 884498551 /nfs/dbraw/zinc/49/85/51/884498551.db2.gz CRHUVIISNJORQM-UHFFFAOYSA-N 0 3 314.385 1.812 20 10 DDCDHN COCCN(C)C(=O)[C@@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2 ZINC001277488706 885255652 /nfs/dbraw/zinc/25/56/52/885255652.db2.gz FLYOHRQWBCMEIL-ZDUSSCGKSA-N 0 3 322.380 1.458 20 10 DDCDHN COCCN(C)C(=O)[C@@H]1CC12CN(Cc1c(O)cccc1F)C2 ZINC001277488706 885255672 /nfs/dbraw/zinc/25/56/72/885255672.db2.gz FLYOHRQWBCMEIL-ZDUSSCGKSA-N 0 3 322.380 1.458 20 10 DDCDHN CN(C)c1ccc(CN2CC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001232836912 886623663 /nfs/dbraw/zinc/62/36/63/886623663.db2.gz WIJWOUOIAUEPFZ-CYBMUJFWSA-N 0 3 304.312 1.957 20 10 DDCDHN CCN1CCN(c2ccc(OC[C@H]3CN(C)CCO3)cc2)CC1 ZINC001234660456 888173462 /nfs/dbraw/zinc/17/34/62/888173462.db2.gz INOGDIXJPQRBPZ-GOSISDBHSA-N 0 3 319.449 1.538 20 10 DDCDHN COc1ccc(CN[C@@H](CO)CNC(=O)[C@H](C)C(C)C)cc1C ZINC001278165396 889948414 /nfs/dbraw/zinc/94/84/14/889948414.db2.gz WNWXJTIVQSNWDC-GDBMZVCRSA-N 0 3 322.449 1.862 20 10 DDCDHN CN(Cc1ccccc1O)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000376242862 530003663 /nfs/dbraw/zinc/00/36/63/530003663.db2.gz YVOORICBXHEQOE-QIIPPGSGSA-N 0 3 318.417 1.883 20 10 DDCDHN CCOc1cccc(C[NH2+]CCCN2CCN(C)CC2)c1[O-] ZINC000236927229 202075182 /nfs/dbraw/zinc/07/51/82/202075182.db2.gz YSKMZDHRWHAARY-UHFFFAOYSA-N 0 3 307.438 1.518 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1CN1CCOCC1)OCO2 ZINC000173371785 285381976 /nfs/dbraw/zinc/38/19/76/285381976.db2.gz CVGQQLBPBZCYGE-AWEZNQCLSA-N 0 3 320.389 1.418 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1CN1CCOCC1)OCO2 ZINC000173371785 285381979 /nfs/dbraw/zinc/38/19/79/285381979.db2.gz CVGQQLBPBZCYGE-AWEZNQCLSA-N 0 3 320.389 1.418 20 10 DDCDHN COCCOCCOCCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000274389605 130231068 /nfs/dbraw/zinc/23/10/68/130231068.db2.gz CSGBBRRDOWEJEG-UHFFFAOYSA-N 0 3 313.394 1.560 20 10 DDCDHN Oc1cc2c(cc1CN1CCC(n3cncn3)CC1)OCO2 ZINC000152065932 407557367 /nfs/dbraw/zinc/55/73/67/407557367.db2.gz ZHDJUFYCOGIPJX-UHFFFAOYSA-N 0 3 302.334 1.550 20 10 DDCDHN COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])CC2 ZINC000186103545 407578255 /nfs/dbraw/zinc/57/82/55/407578255.db2.gz YVDMFZBBAABFCS-ZYHUDNBSSA-N 0 3 320.368 1.935 20 10 DDCDHN NC(=O)c1ccc(N2CCN(Cc3ccccc3O)CC2)nc1 ZINC000271287610 407617941 /nfs/dbraw/zinc/61/79/41/407617941.db2.gz PMQJUOCRJZZILV-UHFFFAOYSA-N 0 3 312.373 1.208 20 10 DDCDHN Cc1cccc(CN2CCN(CCC(=O)N(C)C)CC2)c1O ZINC000271836328 407730802 /nfs/dbraw/zinc/73/08/02/407730802.db2.gz PPJSUNHMUSOFBB-UHFFFAOYSA-N 0 3 305.422 1.297 20 10 DDCDHN COCCCOCCN(C)Cc1cc(OC)c(OC)cc1O ZINC000271391225 407665446 /nfs/dbraw/zinc/66/54/46/407665446.db2.gz VHZXMSLQVHASOM-UHFFFAOYSA-N 0 3 313.394 1.894 20 10 DDCDHN COC(=O)C[C@H]1CSCCN1Cc1cc(OC)ccc1O ZINC000271898940 407734027 /nfs/dbraw/zinc/73/40/27/407734027.db2.gz YWADQYLMCHSGAY-LBPRGKRZSA-N 0 3 311.403 1.881 20 10 DDCDHN CCC[C@](C)(N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000272293754 407856018 /nfs/dbraw/zinc/85/60/18/407856018.db2.gz FTPVLIQCMZHIKI-SFHVURJKSA-N 0 3 319.449 1.999 20 10 DDCDHN C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cc(F)ccc1[O-] ZINC000273604108 408262866 /nfs/dbraw/zinc/26/28/66/408262866.db2.gz SRUBREFITRECOW-JQWIXIFHSA-N 0 3 316.398 1.606 20 10 DDCDHN CC(C)[C@@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269250101 408233175 /nfs/dbraw/zinc/23/31/75/408233175.db2.gz OTJMNBYLBPDKEV-QGZVFWFLSA-N 0 3 319.449 1.495 20 10 DDCDHN COc1ccc(N2CCN(CC3(O)CCOCC3)CC2)cc1 ZINC000269416797 408300432 /nfs/dbraw/zinc/30/04/32/408300432.db2.gz YJBOHHOYUOTNET-UHFFFAOYSA-N 0 3 306.406 1.359 20 10 DDCDHN CC[C@@H](NCC(=O)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000183357939 408390147 /nfs/dbraw/zinc/39/01/47/408390147.db2.gz MRCGUEHDOYLJRQ-MRXNPFEDSA-N 0 3 305.422 1.652 20 10 DDCDHN COc1ccc(N2CCCN(C[C@@H](O)CSC)CC2)cc1 ZINC000249287929 408713433 /nfs/dbraw/zinc/71/34/33/408713433.db2.gz TYUZCCICORRGCG-OAHLLOKOSA-N 0 3 310.463 1.931 20 10 DDCDHN O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cccc(O)c1[O-] ZINC000193148617 408703136 /nfs/dbraw/zinc/70/31/36/408703136.db2.gz PCNZQMIZUNJCNJ-LBPRGKRZSA-N 0 3 308.378 1.065 20 10 DDCDHN O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc(O)c1[O-] ZINC000193148617 408703140 /nfs/dbraw/zinc/70/31/40/408703140.db2.gz PCNZQMIZUNJCNJ-LBPRGKRZSA-N 0 3 308.378 1.065 20 10 DDCDHN CCCOc1ccc(C[NH2+]CC2(S(C)(=O)=O)CC2)c([O-])c1 ZINC000279603147 409245300 /nfs/dbraw/zinc/24/53/00/409245300.db2.gz DSNHAFBAOVAXRB-UHFFFAOYSA-N 0 3 313.419 1.848 20 10 DDCDHN CC[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000280136270 409256345 /nfs/dbraw/zinc/25/63/45/409256345.db2.gz PHYIFCRGUFUQMW-AWEZNQCLSA-N 0 3 315.435 1.803 20 10 DDCDHN COc1cc(N(C)C[C@H](O)CN(C)C2CC2)cc(OC)c1OC ZINC000290035185 409292075 /nfs/dbraw/zinc/29/20/75/409292075.db2.gz QLFHHAPMXVXPDW-CQSZACIVSA-N 0 3 324.421 1.604 20 10 DDCDHN CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000280475342 409319616 /nfs/dbraw/zinc/31/96/16/409319616.db2.gz ZJDGHGWMTWPACA-MRXNPFEDSA-N 0 3 308.378 1.367 20 10 DDCDHN CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000280475342 409319621 /nfs/dbraw/zinc/31/96/21/409319621.db2.gz ZJDGHGWMTWPACA-MRXNPFEDSA-N 0 3 308.378 1.367 20 10 DDCDHN CCOc1cccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000290228935 409329883 /nfs/dbraw/zinc/32/98/83/409329883.db2.gz YDHAGGWNJVGHNB-LBPRGKRZSA-N 0 3 313.419 1.705 20 10 DDCDHN NC(=O)[C@]1(O)CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000367489220 418605748 /nfs/dbraw/zinc/60/57/48/418605748.db2.gz KCOMELXMURCHCO-SFHVURJKSA-N 0 3 317.433 1.489 20 10 DDCDHN COc1ccc(O)c([C@H](C)N2CCC(S(N)(=O)=O)CC2)c1 ZINC000377631507 418711672 /nfs/dbraw/zinc/71/16/72/418711672.db2.gz USJOSKQZOBRSCH-JTQLQIEISA-N 0 3 314.407 1.215 20 10 DDCDHN COc1c([O-])c(C[NH2+][C@@H]2CCc3cn[nH]c3C2)ccc1[N+](=O)[O-] ZINC000369326782 418731976 /nfs/dbraw/zinc/73/19/76/418731976.db2.gz KYJTWDXITCCEBB-LLVKDONJSA-N 0 3 318.333 1.679 20 10 DDCDHN c1cc(N2CCOCC2)ccc1CN1CC([C@@H]2CCOC2)C1 ZINC000369868549 418738732 /nfs/dbraw/zinc/73/87/32/418738732.db2.gz SGFWTNRAZIGFRH-MRXNPFEDSA-N 0 3 302.418 1.992 20 10 DDCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1ccccc1[O-] ZINC000362258611 418751058 /nfs/dbraw/zinc/75/10/58/418751058.db2.gz RHYLFNVXBSPZJO-KGLIPLIRSA-N 0 3 314.389 1.972 20 10 DDCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000368601240 418722736 /nfs/dbraw/zinc/72/27/36/418722736.db2.gz JSKXTRDGQOYCCF-WBVHZDCISA-N 0 3 303.450 1.850 20 10 DDCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000368601240 418722738 /nfs/dbraw/zinc/72/27/38/418722738.db2.gz JSKXTRDGQOYCCF-WBVHZDCISA-N 0 3 303.450 1.850 20 10 DDCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1OC ZINC000378448689 418723000 /nfs/dbraw/zinc/72/30/00/418723000.db2.gz DDBRISPIWGPIFH-CQSZACIVSA-N 0 3 322.405 1.362 20 10 DDCDHN Cc1cccc(CN2CCCN(C(=O)[C@H]3CCCO3)CC2)c1O ZINC000371418830 418789966 /nfs/dbraw/zinc/78/99/66/418789966.db2.gz QYXNHHBGCLJYBT-MRXNPFEDSA-N 0 3 318.417 1.914 20 10 DDCDHN CC[C@H](N[C@@H](C)c1cc(OC)ccc1O)C(=O)N1CCOCC1 ZINC000185664971 276638273 /nfs/dbraw/zinc/63/82/73/276638273.db2.gz XSWIHHYRRDHTBQ-WFASDCNBSA-N 0 3 322.405 1.689 20 10 DDCDHN CCN(CC)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000243164100 279088260 /nfs/dbraw/zinc/08/82/60/279088260.db2.gz JRAVURRPLJDWNR-UHFFFAOYSA-N 0 3 305.422 1.686 20 10 DDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)CNC[C@H]1CCCO1 ZINC000237150809 340668365 /nfs/dbraw/zinc/66/83/65/340668365.db2.gz JIOONLFJFMVOPW-CQSZACIVSA-N 0 3 319.405 1.247 20 10 DDCDHN CCOc1cccc(CN2CCC(N3CCNC3=O)CC2)c1O ZINC000127649235 521335347 /nfs/dbraw/zinc/33/53/47/521335347.db2.gz QLDTYRVTQJYOFV-UHFFFAOYSA-N 0 3 319.405 1.781 20 10 DDCDHN CCS(=O)(=O)NCCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000182441484 521675367 /nfs/dbraw/zinc/67/53/67/521675367.db2.gz KPQXQEYGTXEZDU-LLVKDONJSA-N 0 3 316.423 1.381 20 10 DDCDHN Cc1cccc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)c1[O-] ZINC000179846753 524377155 /nfs/dbraw/zinc/37/71/55/524377155.db2.gz MTMLDUPHDJNMHJ-MRXNPFEDSA-N 0 3 311.422 1.935 20 10 DDCDHN Cc1cccc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c1[O-] ZINC000179846753 524377159 /nfs/dbraw/zinc/37/71/59/524377159.db2.gz MTMLDUPHDJNMHJ-MRXNPFEDSA-N 0 3 311.422 1.935 20 10 DDCDHN CN(CC(=O)NC1CC1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775644190 698018442 /nfs/dbraw/zinc/01/84/42/698018442.db2.gz GFCAVELUQXEMCX-UHFFFAOYSA-N 0 3 316.449 1.149 20 10 DDCDHN COC[C@@](C)(CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000777483434 698193547 /nfs/dbraw/zinc/19/35/47/698193547.db2.gz PFRQNMGKTDWNKS-CYBMUJFWSA-N 0 3 318.211 1.950 20 10 DDCDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000783523739 698847163 /nfs/dbraw/zinc/84/71/63/698847163.db2.gz JONOZIOCYZNRHL-TYNCELHUSA-N 0 3 314.389 1.970 20 10 DDCDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCc1ccccc1O ZINC000389804281 699090227 /nfs/dbraw/zinc/09/02/27/699090227.db2.gz ZOJRBXYIFKUSLI-SUYBPPKGSA-N 0 3 304.390 1.541 20 10 DDCDHN CN(C)c1ccc(CN2CCC(N3CN=NC3=O)CC2)cc1 ZINC000788830633 699341949 /nfs/dbraw/zinc/34/19/49/699341949.db2.gz CTYAEROCDROBGV-UHFFFAOYSA-N 0 3 301.394 1.887 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]1CC)cc2=O ZINC000727833040 699427501 /nfs/dbraw/zinc/42/75/01/699427501.db2.gz KBTNJTUPALVYAW-GFCCVEGCSA-N 0 3 318.377 1.986 20 10 DDCDHN CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000790761709 699595825 /nfs/dbraw/zinc/59/58/25/699595825.db2.gz WSDMQTKUNMZMLD-AAEUAGOBSA-N 0 3 301.358 1.596 20 10 DDCDHN CN1CCN(CCCCNC(=O)NCc2ccccc2O)CC1 ZINC000736652436 699728878 /nfs/dbraw/zinc/72/88/78/699728878.db2.gz ZZHULPBILMNWJS-UHFFFAOYSA-N 0 3 320.437 1.219 20 10 DDCDHN OC[C@@H](CC(F)(F)F)NCc1ccc(N2CCOCC2)cc1 ZINC000756996868 700651693 /nfs/dbraw/zinc/65/16/93/700651693.db2.gz RPVDGIAHABOXLE-CYBMUJFWSA-N 0 3 318.339 1.926 20 10 DDCDHN C[C@@H](N[C@H]1CCCN(C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000766438333 701050772 /nfs/dbraw/zinc/05/07/72/701050772.db2.gz UKHVGAREUYPFNM-PBHICJAKSA-N 0 3 317.433 1.795 20 10 DDCDHN Oc1cc2c(cc1CN1CCN(C3CCC3)CC1)[C@H](O)CO2 ZINC000768449703 701177839 /nfs/dbraw/zinc/17/78/39/701177839.db2.gz YVRHCWALPRXRCL-MRXNPFEDSA-N 0 3 304.390 1.488 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]CCCn2cc(CO)nn2)c2c1c(F)ccc2[O-] ZINC000810243859 701746636 /nfs/dbraw/zinc/74/66/36/701746636.db2.gz LHRBPXPZSQIPPS-ZWNOBZJWSA-N 0 3 320.368 1.843 20 10 DDCDHN COc1cc(C)cc(CN2CC[C@H](OC(=O)N(C)C)C2)c1O ZINC000840103275 701969353 /nfs/dbraw/zinc/96/93/53/701969353.db2.gz AUFPCVANWKMGGO-ZDUSSCGKSA-N 0 3 308.378 1.982 20 10 DDCDHN C[C@@H](O)[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000840975903 702299211 /nfs/dbraw/zinc/29/92/11/702299211.db2.gz AKAISRHVNGSGDL-CRAIPNDOSA-N 0 3 319.449 1.020 20 10 DDCDHN CNS(=O)(=O)CCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000866457506 706703179 /nfs/dbraw/zinc/70/31/79/706703179.db2.gz PBHSCDYKEHODKZ-ONGXEEELSA-N 0 3 316.398 1.609 20 10 DDCDHN Cn1cnnc1N1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000848497224 703557983 /nfs/dbraw/zinc/55/79/83/703557983.db2.gz JRKKZEDWNYNMIU-UHFFFAOYSA-N 0 3 313.405 1.332 20 10 DDCDHN CCNS(=O)(=O)[C@H]1CCN(Cc2cccc(CC)c2O)C1 ZINC000848901603 703600796 /nfs/dbraw/zinc/60/07/96/703600796.db2.gz XLGGYMSQINEEEL-AWEZNQCLSA-N 0 3 312.435 1.468 20 10 DDCDHN [O-]c1ccc2ccncc2c1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000853552464 704266783 /nfs/dbraw/zinc/26/67/83/704266783.db2.gz GLPKZLZGRHAERS-HNNXBMFYSA-N 0 3 313.401 1.847 20 10 DDCDHN CCCN(C)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855231123 704474358 /nfs/dbraw/zinc/47/43/58/704474358.db2.gz KIOUPHORKLSOIW-AWEZNQCLSA-N 0 3 305.422 1.732 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@@H]2CN(C)CCN2C)cc1F ZINC000858132655 704669293 /nfs/dbraw/zinc/66/92/93/704669293.db2.gz ASMXUSCUAQCSGI-CYBMUJFWSA-N 0 3 312.408 1.366 20 10 DDCDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000858498396 704718653 /nfs/dbraw/zinc/71/86/53/704718653.db2.gz OXMVHZMOJYZZEH-MCIONIFRSA-N 0 3 324.446 1.830 20 10 DDCDHN CN1CCN(c2ccc(CN3CCO[C@@H](CCF)C3)cc2)CC1 ZINC000862530785 705726869 /nfs/dbraw/zinc/72/68/69/705726869.db2.gz SVAAIUXTJXXZMO-SFHVURJKSA-N 0 3 321.440 1.999 20 10 DDCDHN CCN1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876523681 705745127 /nfs/dbraw/zinc/74/51/27/705745127.db2.gz BCVNBOZWXQJSFF-UHFFFAOYSA-N 0 3 303.450 1.785 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000877501991 706125156 /nfs/dbraw/zinc/12/51/56/706125156.db2.gz XYCYVZKEEYJSBB-OCCSQVGLSA-N 0 3 312.435 1.508 20 10 DDCDHN OC1CCN(c2ccc(CN3CC4(C3)CCOC4)cc2)CC1 ZINC000877555497 706141711 /nfs/dbraw/zinc/14/17/11/706141711.db2.gz ZZTGMXHTLQVZGH-UHFFFAOYSA-N 0 3 302.418 1.870 20 10 DDCDHN Cc1ccc(CNCCS(=O)(=O)C2CCOCC2)c(O)c1 ZINC000877566922 706144769 /nfs/dbraw/zinc/14/47/69/706144769.db2.gz CKILEFUXLVOOEC-UHFFFAOYSA-N 0 3 313.419 1.384 20 10 DDCDHN Cc1ccc(C[NH+]2CCC(CN3CCNC3=O)CC2)c([O-])c1 ZINC000897579963 708382097 /nfs/dbraw/zinc/38/20/97/708382097.db2.gz DQAOVBHLAXIVIS-UHFFFAOYSA-N 0 3 303.406 1.938 20 10 DDCDHN COc1ccc(C[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1C ZINC000898159496 708560999 /nfs/dbraw/zinc/56/09/99/708560999.db2.gz ZMKWNJSDZOZXHD-CQSZACIVSA-N 0 3 314.389 1.868 20 10 DDCDHN CC[C@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102852 708984373 /nfs/dbraw/zinc/98/43/73/708984373.db2.gz SQZDOECXPBOYEG-ZBFHGGJFSA-N 0 3 322.453 1.425 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC(=O)O2)N(C)C)cc1 ZINC000891246413 710140697 /nfs/dbraw/zinc/14/06/97/710140697.db2.gz NNUAQABBSVLEKD-HUUCEWRRSA-N 0 3 319.405 1.177 20 10 DDCDHN CC1=NO[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891248408 710141157 /nfs/dbraw/zinc/14/11/57/710141157.db2.gz MJSMGGQKLYPLKT-CVEARBPZSA-N 0 3 318.421 1.636 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000914150650 713348940 /nfs/dbraw/zinc/34/89/40/713348940.db2.gz PZKBSFUTNZAUPA-VXGBXAGGSA-N 0 3 307.369 1.957 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000914150650 713348941 /nfs/dbraw/zinc/34/89/41/713348941.db2.gz PZKBSFUTNZAUPA-VXGBXAGGSA-N 0 3 307.369 1.957 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000914150648 713348885 /nfs/dbraw/zinc/34/88/85/713348885.db2.gz PZKBSFUTNZAUPA-NWDGAFQWSA-N 0 3 307.369 1.957 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000914150648 713348886 /nfs/dbraw/zinc/34/88/86/713348886.db2.gz PZKBSFUTNZAUPA-NWDGAFQWSA-N 0 3 307.369 1.957 20 10 DDCDHN Cc1ccc(O)c(CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)c1 ZINC000918004560 713524147 /nfs/dbraw/zinc/52/41/47/713524147.db2.gz RIPZEPQCZWWETH-INIZCTEOSA-N 0 3 324.446 1.606 20 10 DDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)C1(O)CCC1)C[C@H]1CCCO1 ZINC000929971582 713725075 /nfs/dbraw/zinc/72/50/75/713725075.db2.gz PIINYIKGVXXHNL-WBVHZDCISA-N 0 3 321.417 1.649 20 10 DDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)C1(O)CCC1)C[C@H]1CCCO1 ZINC000929971582 713725078 /nfs/dbraw/zinc/72/50/78/713725078.db2.gz PIINYIKGVXXHNL-WBVHZDCISA-N 0 3 321.417 1.649 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C1(C(N)=O)CCCC1 ZINC000930095411 713754814 /nfs/dbraw/zinc/75/48/14/713754814.db2.gz OYEMSXBULOKVDQ-UHFFFAOYSA-N 0 3 317.433 1.753 20 10 DDCDHN CCOc1ccc(C[NH2+]CC(C)(C)CS(C)(=O)=O)c([O-])c1 ZINC000922738144 714132742 /nfs/dbraw/zinc/13/27/42/714132742.db2.gz PZRNYNSZHPCIBL-UHFFFAOYSA-N 0 3 315.435 1.951 20 10 DDCDHN CN(C)C[C@H]1NC(=O)N(Cc2ccc(N3CCCC3)cc2)C1=O ZINC000924489018 714593730 /nfs/dbraw/zinc/59/37/30/714593730.db2.gz WWSGMIHFOWYXNK-OAHLLOKOSA-N 0 3 316.405 1.269 20 10 DDCDHN CN1CC2(C1)CCN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC001270703916 842832963 /nfs/dbraw/zinc/83/29/63/842832963.db2.gz VZMGADGSITZWOU-HWKANZROSA-N 0 3 302.374 1.665 20 10 DDCDHN CN1CCOc2cc(CN3CCC4(CCC(=O)N4)CC3)ccc21 ZINC001141146140 860795139 /nfs/dbraw/zinc/79/51/39/860795139.db2.gz MELGWKLGVKRXNG-UHFFFAOYSA-N 0 3 315.417 1.760 20 10 DDCDHN CO[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001323324510 866530933 /nfs/dbraw/zinc/53/09/33/866530933.db2.gz WMSXNYPHCJESBJ-OAHLLOKOSA-N 0 3 307.413 1.798 20 10 DDCDHN CCOc1cccc(CN2CCCO[C@@H](C(=O)OC)C2)c1O ZINC001203614879 870671749 /nfs/dbraw/zinc/67/17/49/870671749.db2.gz FWFBKCIYJXYWSX-CQSZACIVSA-N 0 3 309.362 1.555 20 10 DDCDHN COc1ncnc2c1CC[N@H+](Cc1ccc(O)cc1[O-])CC2 ZINC001204275103 871035424 /nfs/dbraw/zinc/03/54/24/871035424.db2.gz WVAUYBGMOYJUAG-UHFFFAOYSA-N 0 3 301.346 1.497 20 10 DDCDHN COc1ncnc2c1CC[N@@H+](Cc1ccc(O)cc1[O-])CC2 ZINC001204275103 871035446 /nfs/dbraw/zinc/03/54/46/871035446.db2.gz WVAUYBGMOYJUAG-UHFFFAOYSA-N 0 3 301.346 1.497 20 10 DDCDHN O=C1CC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)CC(=O)N1 ZINC001204279523 871036800 /nfs/dbraw/zinc/03/68/00/871036800.db2.gz ADDSYFWDFUGKBF-UHFFFAOYSA-N 0 3 304.346 1.117 20 10 DDCDHN C[C@@H]1[C@H](NCc2ccc(N3CCCC3)cc2)CCS1(=O)=O ZINC000314330401 878651279 /nfs/dbraw/zinc/65/12/79/878651279.db2.gz LHQSSWCNPKPCGG-CZUORRHYSA-N 0 3 308.447 1.952 20 10 DDCDHN CN(C)C(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2O1 ZINC001277441514 884291784 /nfs/dbraw/zinc/29/17/84/884291784.db2.gz MUISPUBMGBCIDN-YCPHGPKFSA-N 0 3 304.390 1.460 20 10 DDCDHN CN(C)C(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2O1 ZINC001277441514 884291801 /nfs/dbraw/zinc/29/18/01/884291801.db2.gz MUISPUBMGBCIDN-YCPHGPKFSA-N 0 3 304.390 1.460 20 10 DDCDHN COc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N(C)C)c([O-])c1 ZINC001277456145 884498771 /nfs/dbraw/zinc/49/87/71/884498771.db2.gz BQUROGDLJQEACO-FCLUMBPUSA-N 0 3 318.417 1.993 20 10 DDCDHN COc1cc(CN2CCC3(COC(=O)N3)CC2)c(O)cc1O ZINC001231639168 885778694 /nfs/dbraw/zinc/77/86/94/885778694.db2.gz MNJKWXZJMFYVPR-UHFFFAOYSA-N 0 3 308.334 1.181 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1[O-] ZINC001233290107 886899626 /nfs/dbraw/zinc/89/96/26/886899626.db2.gz JOJUHAGDLGMMHT-CABZTGNLSA-N 0 3 310.781 1.622 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1[O-] ZINC001233290107 886899644 /nfs/dbraw/zinc/89/96/44/886899644.db2.gz JOJUHAGDLGMMHT-CABZTGNLSA-N 0 3 310.781 1.622 20 10 DDCDHN CCN1CCN(c2ccc(OC3CN(C(C)=O)C3)cc2)CC1 ZINC001234658314 888173507 /nfs/dbraw/zinc/17/35/07/888173507.db2.gz ZWXDAYXKEZNSNN-UHFFFAOYSA-N 0 3 303.406 1.438 20 10 DDCDHN COCCOc1ccc(N2CCN(CCCCO)CC2)cc1 ZINC001236157317 889120804 /nfs/dbraw/zinc/12/08/04/889120804.db2.gz FLVBONLZVLTEJX-UHFFFAOYSA-N 0 3 308.422 1.606 20 10 DDCDHN COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236806775 889364800 /nfs/dbraw/zinc/36/48/00/889364800.db2.gz BAABBSZMFPPREF-SJCJKPOMSA-N 0 3 321.373 1.331 20 10 DDCDHN COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236806775 889364815 /nfs/dbraw/zinc/36/48/15/889364815.db2.gz BAABBSZMFPPREF-SJCJKPOMSA-N 0 3 321.373 1.331 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC3(CC2)CNC(=O)CO3)c([O-])c1 ZINC001237043460 889479557 /nfs/dbraw/zinc/47/95/57/889479557.db2.gz OIHPGTCKZQXFGA-UHFFFAOYSA-N 0 3 320.389 1.272 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3C[C@H](O)[C@@H](CO)C3)ccc2O1 ZINC001249224435 893877376 /nfs/dbraw/zinc/87/73/76/893877376.db2.gz ZDCSWWZQJMEQKN-OCCSQVGLSA-N 0 3 305.374 1.361 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3C[C@H](O)[C@@H](CO)C3)ccc2O1 ZINC001249224435 893877396 /nfs/dbraw/zinc/87/73/96/893877396.db2.gz ZDCSWWZQJMEQKN-OCCSQVGLSA-N 0 3 305.374 1.361 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@H](O)[C@@H](CO)C3)ccc2O1 ZINC001249223234 893879289 /nfs/dbraw/zinc/87/92/89/893879289.db2.gz BXRFBSJJXRSWAR-UKRRQHHQSA-N 0 3 319.401 1.752 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@H](O)[C@@H](CO)C3)ccc2O1 ZINC001249223234 893879318 /nfs/dbraw/zinc/87/93/18/893879318.db2.gz BXRFBSJJXRSWAR-UKRRQHHQSA-N 0 3 319.401 1.752 20 10 DDCDHN [O-]c1cc(O)ccc1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC001251946190 894906508 /nfs/dbraw/zinc/90/65/08/894906508.db2.gz RVHRRTPCLACKIF-CQSZACIVSA-N 0 3 307.321 1.766 20 10 DDCDHN CN(Cc1ccccc1O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000369048696 530003331 /nfs/dbraw/zinc/00/33/31/530003331.db2.gz WVQSPMGJMDEIAE-CABCVRRESA-N 0 3 319.405 1.397 20 10 DDCDHN Cc1cc(C)c([C@H](C)[NH2+]CCCn2cc(CO)nn2)c([O-])c1 ZINC000293975482 222775048 /nfs/dbraw/zinc/77/50/48/222775048.db2.gz AZRNLKRCNJRXPS-ZDUSSCGKSA-N 0 3 304.394 1.834 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000296639558 222827028 /nfs/dbraw/zinc/82/70/28/222827028.db2.gz XZXVUXLXOHSHEJ-NWDGAFQWSA-N 0 3 300.424 1.679 20 10 DDCDHN CN(C)[C@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCSC1 ZINC000272675108 130052765 /nfs/dbraw/zinc/05/27/65/130052765.db2.gz QYGFMPIYMWUSKS-NBUZRDOWSA-N 0 3 322.430 1.665 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CCCNS(C)(=O)=O)c([O-])c1C ZINC000273423091 130119357 /nfs/dbraw/zinc/11/93/57/130119357.db2.gz SNXFTNJVYNPGQO-LBPRGKRZSA-N 0 3 300.424 1.599 20 10 DDCDHN Oc1cc2c(cc1CN[C@@H]1COc3ccccc3[C@@H]1O)OCO2 ZINC000288613088 131332239 /nfs/dbraw/zinc/33/22/39/131332239.db2.gz QVQOYGGKYXPTFF-PXAZEXFGSA-N 0 3 315.325 1.705 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1COc3ccccc3[C@@H]1O)OCO2 ZINC000288613088 131332241 /nfs/dbraw/zinc/33/22/41/131332241.db2.gz QVQOYGGKYXPTFF-PXAZEXFGSA-N 0 3 315.325 1.705 20 10 DDCDHN Cc1ccc(O)c(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000092044987 407185549 /nfs/dbraw/zinc/18/55/49/407185549.db2.gz LGZVBEFWXODYMG-OAHLLOKOSA-N 0 3 324.446 1.701 20 10 DDCDHN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCCN1 ZINC000237690330 407836686 /nfs/dbraw/zinc/83/66/86/407836686.db2.gz WPRLJGNRUGETQS-OAHLLOKOSA-N 0 3 321.396 1.421 20 10 DDCDHN C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)N)cc2F)C[C@@H](C)O1 ZINC000269253991 408235309 /nfs/dbraw/zinc/23/53/09/408235309.db2.gz RBGIFQBQTFMFSW-VXGBXAGGSA-N 0 3 323.412 1.793 20 10 DDCDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CCN(C)CC1 ZINC000291676825 408906601 /nfs/dbraw/zinc/90/66/01/408906601.db2.gz MMEVWPSQYDEERF-LBPRGKRZSA-N 0 3 306.406 1.877 20 10 DDCDHN COc1cccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000289716144 409284862 /nfs/dbraw/zinc/28/48/62/409284862.db2.gz PDTHAFKFBLWZSF-HIFRSBDPSA-N 0 3 306.406 1.696 20 10 DDCDHN COc1cccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000289716144 409284864 /nfs/dbraw/zinc/28/48/64/409284864.db2.gz PDTHAFKFBLWZSF-HIFRSBDPSA-N 0 3 306.406 1.696 20 10 DDCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289759194 409286068 /nfs/dbraw/zinc/28/60/68/409286068.db2.gz QXLJCBILMIFVRM-DYVFJYSZSA-N 0 3 317.389 1.653 20 10 DDCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289759194 409286069 /nfs/dbraw/zinc/28/60/69/409286069.db2.gz QXLJCBILMIFVRM-DYVFJYSZSA-N 0 3 317.389 1.653 20 10 DDCDHN CCCOc1ccc(C[NH2+]CCCn2cc(CO)nn2)c([O-])c1 ZINC000289725485 409286111 /nfs/dbraw/zinc/28/61/11/409286111.db2.gz FVVHXZHTMGIHSS-UHFFFAOYSA-N 0 3 320.393 1.445 20 10 DDCDHN Cc1cn[nH]c1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000289891932 409289304 /nfs/dbraw/zinc/28/93/04/409289304.db2.gz MWQICDSQVAOATD-UHFFFAOYSA-N 0 3 304.369 1.984 20 10 DDCDHN COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000295136241 409339532 /nfs/dbraw/zinc/33/95/32/409339532.db2.gz YWUZZVGGKMYRPX-MRXNPFEDSA-N 0 3 323.345 1.132 20 10 DDCDHN COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000295136241 409339539 /nfs/dbraw/zinc/33/95/39/409339539.db2.gz YWUZZVGGKMYRPX-MRXNPFEDSA-N 0 3 323.345 1.132 20 10 DDCDHN COC(=O)c1cn(CC[NH2+][C@H]2CCc3cccc([O-])c32)nn1 ZINC000296614951 409624205 /nfs/dbraw/zinc/62/42/05/409624205.db2.gz YSFWGQHBLDFJIG-NSHDSACASA-N 0 3 302.334 1.047 20 10 DDCDHN CCCN(Cc1ccccc1O)C(=O)c1[nH]nc2c1CNCC2 ZINC000188479141 222014782 /nfs/dbraw/zinc/01/47/82/222014782.db2.gz YWSKGCPOKYRYEE-UHFFFAOYSA-N 0 3 314.389 1.813 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)[C@]2(F)CCNC2)cc1F ZINC000372106122 418837045 /nfs/dbraw/zinc/83/70/45/418837045.db2.gz VRKRUZXHWIRPEG-INIZCTEOSA-N 0 3 311.376 1.990 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000229052862 697777282 /nfs/dbraw/zinc/77/72/82/697777282.db2.gz CDONKKILFJRIKT-JTQLQIEISA-N 0 3 312.753 1.291 20 10 DDCDHN COC(=O)CNC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775837073 698042843 /nfs/dbraw/zinc/04/28/43/698042843.db2.gz RERQJDMBCGIXHX-RYUDHWBXSA-N 0 3 307.394 1.081 20 10 DDCDHN CCN(CCO)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776239536 698086832 /nfs/dbraw/zinc/08/68/32/698086832.db2.gz UEWOBNHAHWIJHQ-AWEZNQCLSA-N 0 3 322.453 1.427 20 10 DDCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)C(=O)NCCF ZINC000800292005 700213221 /nfs/dbraw/zinc/21/32/21/700213221.db2.gz IXCQFXXVADFRTM-CYBMUJFWSA-N 0 3 309.385 1.087 20 10 DDCDHN CS(=O)(=O)N[C@H]1CCCN(Cc2cccc(F)c2O)C1 ZINC000703131172 699235271 /nfs/dbraw/zinc/23/52/71/699235271.db2.gz INJRIIYALXOWSV-NSHDSACASA-N 0 3 302.371 1.045 20 10 DDCDHN Cc1cc(C)c(O)c(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000793587735 699765917 /nfs/dbraw/zinc/76/59/17/699765917.db2.gz JLUPMAMPVRZOSV-CQSZACIVSA-N 0 3 312.435 1.475 20 10 DDCDHN Cc1nc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000794458518 699811017 /nfs/dbraw/zinc/81/10/17/699811017.db2.gz OJQKEGGRHYGKMH-GFCCVEGCSA-N 0 3 301.394 1.801 20 10 DDCDHN O=[N+]([O-])c1cc(CNCCOCCO)ccc1N1CCCCC1 ZINC000743566065 699917474 /nfs/dbraw/zinc/91/74/74/699917474.db2.gz OZIICIJGJPFRCG-UHFFFAOYSA-N 0 3 323.393 1.684 20 10 DDCDHN CC(=O)N(C)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768445285 701177227 /nfs/dbraw/zinc/17/72/27/701177227.db2.gz RFVPTZCESOOCMQ-INIZCTEOSA-N 0 3 320.389 1.261 20 10 DDCDHN CNC(=O)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768465630 701180636 /nfs/dbraw/zinc/18/06/36/701180636.db2.gz JOBKERVKSAFHTM-OAHLLOKOSA-N 0 3 320.389 1.166 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c2c1c(F)ccc2[O-] ZINC000810261575 701748586 /nfs/dbraw/zinc/74/85/86/701748586.db2.gz DWVUEBCLDNEZHA-KOLCDFICSA-N 0 3 316.398 1.561 20 10 DDCDHN COC(=O)[C@]1(C)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840185496 702017698 /nfs/dbraw/zinc/01/76/98/702017698.db2.gz PUHROPUKEGMYQG-RHSMWYFYSA-N 0 3 321.373 1.593 20 10 DDCDHN COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840185496 702017703 /nfs/dbraw/zinc/01/77/03/702017703.db2.gz PUHROPUKEGMYQG-RHSMWYFYSA-N 0 3 321.373 1.593 20 10 DDCDHN [NH3+]CC1(O)CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000841106545 702349320 /nfs/dbraw/zinc/34/93/20/702349320.db2.gz BYCBDRWEDGIYTI-UHFFFAOYSA-N 0 3 315.211 1.440 20 10 DDCDHN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](N)C3CCC3)C2)cc1 ZINC000818269572 702621643 /nfs/dbraw/zinc/62/16/43/702621643.db2.gz FEXDSXQNEGHPDE-DYVFJYSZSA-N 0 3 317.433 1.765 20 10 DDCDHN O=C1CNCCN1[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000843065410 702811966 /nfs/dbraw/zinc/81/19/66/702811966.db2.gz LZKBSRNDZKUYRH-LBPRGKRZSA-N 0 3 323.824 1.442 20 10 DDCDHN O=C1CNCCN1[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000843065410 702811968 /nfs/dbraw/zinc/81/19/68/702811968.db2.gz LZKBSRNDZKUYRH-LBPRGKRZSA-N 0 3 323.824 1.442 20 10 DDCDHN C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1[O-] ZINC000879649009 706749347 /nfs/dbraw/zinc/74/93/47/706749347.db2.gz HCEGTZAOJYZILA-LLVKDONJSA-N 0 3 303.318 1.813 20 10 DDCDHN CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000879649990 706749499 /nfs/dbraw/zinc/74/94/99/706749499.db2.gz WRZQPKHLQUGNCG-OLZOCXBDSA-N 0 3 319.405 1.122 20 10 DDCDHN CCN1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000879650009 706749570 /nfs/dbraw/zinc/74/95/70/706749570.db2.gz XIMLTFGERARKRF-ZIAGYGMSSA-N 0 3 305.422 1.595 20 10 DDCDHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000850833223 703757517 /nfs/dbraw/zinc/75/75/17/703757517.db2.gz IEUXZWUXIRRWEU-CYBMUJFWSA-N 0 3 304.394 1.196 20 10 DDCDHN Nc1ccc(CC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000852863228 704152593 /nfs/dbraw/zinc/15/25/93/704152593.db2.gz CIBMWWSDVBSZCZ-INIZCTEOSA-N 0 3 303.406 1.181 20 10 DDCDHN C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000854642061 704431813 /nfs/dbraw/zinc/43/18/13/704431813.db2.gz IKMNAUZBZWFDSE-OLZOCXBDSA-N 0 3 306.362 1.033 20 10 DDCDHN C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000854642061 704431815 /nfs/dbraw/zinc/43/18/15/704431815.db2.gz IKMNAUZBZWFDSE-OLZOCXBDSA-N 0 3 306.362 1.033 20 10 DDCDHN O=C1NCCCC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000876925892 705926890 /nfs/dbraw/zinc/92/68/90/705926890.db2.gz GKBQIZNIJOJHIQ-QGZVFWFLSA-N 0 3 317.433 1.406 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000876961470 705939665 /nfs/dbraw/zinc/93/96/65/705939665.db2.gz GCKSUKAOSOLKGJ-QGZVFWFLSA-N 0 3 322.474 1.998 20 10 DDCDHN COc1ccc(N2CCCN(C[C@@](C)(O)C(C)=O)CC2)cc1 ZINC000827468487 706008116 /nfs/dbraw/zinc/00/81/16/706008116.db2.gz SQVAPKJHQINSHG-QGZVFWFLSA-N 0 3 306.406 1.547 20 10 DDCDHN C[C@H](O)[C@@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000865740615 706511939 /nfs/dbraw/zinc/51/19/39/706511939.db2.gz JHMNLXINDYRRKG-LRDDRELGSA-N 0 3 323.393 1.416 20 10 DDCDHN COC(=O)C1=NO[C@@]2(CCN(Cc3cc(C)c(C)cc3O)C2)C1 ZINC000872709208 707566129 /nfs/dbraw/zinc/56/61/29/707566129.db2.gz KAFAXBLMIRKCQR-KRWDZBQOSA-N 0 3 318.373 1.903 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(O)CCC2)N(C)C)cc1 ZINC000891246372 710140705 /nfs/dbraw/zinc/14/07/05/710140705.db2.gz BQHPSJVDSQKVLW-OAHLLOKOSA-N 0 3 305.422 1.387 20 10 DDCDHN OCC1CCN(c2ccc(CNCc3c[nH]cn3)cc2)CC1 ZINC000894202781 711014631 /nfs/dbraw/zinc/01/46/31/711014631.db2.gz LKIYEPOUYQKBTC-UHFFFAOYSA-N 0 3 300.406 1.908 20 10 DDCDHN OCC1CCN(c2ccc(CNCc3cnc[nH]3)cc2)CC1 ZINC000894202781 711014633 /nfs/dbraw/zinc/01/46/33/711014633.db2.gz LKIYEPOUYQKBTC-UHFFFAOYSA-N 0 3 300.406 1.908 20 10 DDCDHN COC(=O)c1c(CN[C@H](C)CC(N)=O)c2cc(F)ccc2n1C ZINC000894343019 711078040 /nfs/dbraw/zinc/07/80/40/711078040.db2.gz SHGUIVJHTUYPNV-SECBINFHSA-N 0 3 321.352 1.458 20 10 DDCDHN COc1ccc(CN[C@H]2C[C@H]3CCCCN3C2=O)c(O)c1OC ZINC000894811721 711281126 /nfs/dbraw/zinc/28/11/26/711281126.db2.gz YRWYZQZSMOEORK-OLZOCXBDSA-N 0 3 320.389 1.652 20 10 DDCDHN O=C1NCC2(CCOCC2)[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000896044521 711668049 /nfs/dbraw/zinc/66/80/49/711668049.db2.gz BKIOXIGQYVOGSD-MRXNPFEDSA-N 0 3 316.401 1.396 20 10 DDCDHN COC(=O)/C=C\c1ccc(N2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000931280825 714055947 /nfs/dbraw/zinc/05/59/47/714055947.db2.gz SZDCSLCSLOUUEM-ALCCZGGFSA-N 0 3 319.361 1.923 20 10 DDCDHN COCC(=O)NC1CC[NH+](Cc2ccc(OC)cc2[O-])CC1 ZINC001203628084 744298555 /nfs/dbraw/zinc/29/85/55/744298555.db2.gz ZHCNOEBMXDEDCX-UHFFFAOYSA-N 0 3 308.378 1.128 20 10 DDCDHN Cc1noc([C@@H]2CN(Cc3c(C)cccc3O)CCN2C)n1 ZINC000585140409 771968807 /nfs/dbraw/zinc/96/88/07/771968807.db2.gz DHJQPCSGMYMWKR-AWEZNQCLSA-N 0 3 302.378 1.881 20 10 DDCDHN COc1ccc(N2CCCN(C[C@@H]3CN(C)C(=O)O3)CC2)cc1 ZINC001117741821 780892531 /nfs/dbraw/zinc/89/25/31/780892531.db2.gz IMORXAMHRFGIKX-INIZCTEOSA-N 0 3 319.405 1.658 20 10 DDCDHN Cc1cc(CN2CC[C@]3(C2)CN(C)C(=O)CO3)ccc1N(C)C ZINC001273206677 848759365 /nfs/dbraw/zinc/75/93/65/848759365.db2.gz PVSQSXJDZLKDLV-GOSISDBHSA-N 0 3 317.433 1.494 20 10 DDCDHN CCc1ccc(C[N@@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)c([O-])c1 ZINC001274656370 852486252 /nfs/dbraw/zinc/48/62/52/852486252.db2.gz PBKDJKMSAKZNAJ-SFHVURJKSA-N 0 3 316.401 1.926 20 10 DDCDHN CCc1ccc(C[N@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)c([O-])c1 ZINC001274656370 852486254 /nfs/dbraw/zinc/48/62/54/852486254.db2.gz PBKDJKMSAKZNAJ-SFHVURJKSA-N 0 3 316.401 1.926 20 10 DDCDHN COCC(=O)N[C@@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674596 860449353 /nfs/dbraw/zinc/44/93/53/860449353.db2.gz XKYBJDVXQNZCDW-MRXNPFEDSA-N 0 3 319.449 1.788 20 10 DDCDHN CCN1CCN(c2ccc(CN3CCCNC(=O)C3)cc2)CC1 ZINC001140302355 860615558 /nfs/dbraw/zinc/61/55/58/860615558.db2.gz PENRQXMZSALROX-UHFFFAOYSA-N 0 3 316.449 1.150 20 10 DDCDHN COC(=O)[C@H]1CN(Cc2ccc3c(c2)OCCN3C)CC12CC2 ZINC001141146331 860795363 /nfs/dbraw/zinc/79/53/63/860795363.db2.gz SKZOJYYCPCQUDG-CQSZACIVSA-N 0 3 316.401 1.900 20 10 DDCDHN COc1cc(C)cc(CN2CCc3n[nH]c(=O)cc3C2)c1O ZINC001333713205 866956528 /nfs/dbraw/zinc/95/65/28/866956528.db2.gz HCIMXPYRBXPDKM-UHFFFAOYSA-N 0 3 301.346 1.763 20 10 DDCDHN O=C([C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1)N1CCCC1 ZINC001204275588 871035047 /nfs/dbraw/zinc/03/50/47/871035047.db2.gz WOTFSJVUMWJXFI-AWEZNQCLSA-N 0 3 304.390 1.932 20 10 DDCDHN O=C([C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1)N1CCCC1 ZINC001204275588 871035065 /nfs/dbraw/zinc/03/50/65/871035065.db2.gz WOTFSJVUMWJXFI-AWEZNQCLSA-N 0 3 304.390 1.932 20 10 DDCDHN C[C@@H]1[NH2+]C[C@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001218385112 877470763 /nfs/dbraw/zinc/47/07/63/877470763.db2.gz RJPOFXIVSMFSPS-LKFCYVNXSA-N 0 3 309.321 1.907 20 10 DDCDHN CN(C)C(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2O1 ZINC001277441512 884294082 /nfs/dbraw/zinc/29/40/82/884294082.db2.gz MUISPUBMGBCIDN-FMKPAKJESA-N 0 3 304.390 1.460 20 10 DDCDHN CN(C)C(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2O1 ZINC001277441512 884294087 /nfs/dbraw/zinc/29/40/87/884294087.db2.gz MUISPUBMGBCIDN-FMKPAKJESA-N 0 3 304.390 1.460 20 10 DDCDHN CCc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NC)C2)c([O-])c1 ZINC001236785609 889353391 /nfs/dbraw/zinc/35/33/91/889353391.db2.gz LFHHNFQIWMUKFS-SJLPKXTDSA-N 0 3 318.417 1.682 20 10 DDCDHN CCc1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(C(=O)NC)C2)c([O-])c1 ZINC001236785609 889353406 /nfs/dbraw/zinc/35/34/06/889353406.db2.gz LFHHNFQIWMUKFS-SJLPKXTDSA-N 0 3 318.417 1.682 20 10 DDCDHN COC(=O)Cc1ccc(CN2CCCC(=O)[C@@H](C)C2)c(O)c1 ZINC001249173007 893850997 /nfs/dbraw/zinc/85/09/97/893850997.db2.gz PMQOHZLOTIVPSP-LBPRGKRZSA-N 0 3 305.374 1.909 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCOCCS(C)(=O)=O)c1 ZINC000273450720 130124277 /nfs/dbraw/zinc/12/42/77/130124277.db2.gz FZJNQBIWWJHTPC-NSHDSACASA-N 0 3 317.407 1.113 20 10 DDCDHN C[C@@H](CO)[C@@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000273951245 130190620 /nfs/dbraw/zinc/19/06/20/130190620.db2.gz FHWPXLFPKDQAJI-UONOGXRCSA-N 0 3 307.438 1.318 20 10 DDCDHN NC(=O)CCC1CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000271190560 407566312 /nfs/dbraw/zinc/56/63/12/407566312.db2.gz LKADCMIDGUPQJR-UHFFFAOYSA-N 0 3 306.362 1.598 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](CC)C1)cc2=O ZINC000125670887 407395093 /nfs/dbraw/zinc/39/50/93/407395093.db2.gz MUFBOWMOFRHSST-NSHDSACASA-N 0 3 318.377 1.844 20 10 DDCDHN CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000237109450 407797309 /nfs/dbraw/zinc/79/73/09/407797309.db2.gz BLIHPMMKCCODIT-UHFFFAOYSA-N 0 3 320.414 1.932 20 10 DDCDHN COCC[C@@H](CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000281399994 408885512 /nfs/dbraw/zinc/88/55/12/408885512.db2.gz XKCUVCUNGONZHX-LBPRGKRZSA-N 0 3 318.211 1.950 20 10 DDCDHN CO[C@H]1CCCC[C@@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000277032847 408904835 /nfs/dbraw/zinc/90/48/35/408904835.db2.gz SGXHXJAQMPGUJT-IRXDYDNUSA-N 0 3 319.449 1.916 20 10 DDCDHN COc1cccc(CN2CCC[C@H](n3cc(CO)nn3)C2)c1O ZINC000293551193 409136524 /nfs/dbraw/zinc/13/65/24/409136524.db2.gz DYOGGZHVWHPUGP-AWEZNQCLSA-N 0 3 318.377 1.322 20 10 DDCDHN C[C@@H](N[C@H]1CCCNC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000296390437 409524791 /nfs/dbraw/zinc/52/47/91/409524791.db2.gz KADFTCKEKUQGMN-DOMZBBRYSA-N 0 3 321.396 1.592 20 10 DDCDHN CC(C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)S(C)(=O)=O ZINC000298631100 410322215 /nfs/dbraw/zinc/32/22/15/410322215.db2.gz VWBZTJPZEPLNEH-LBPRGKRZSA-N 0 3 324.446 1.677 20 10 DDCDHN CON(C)C(=O)CCN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000367356341 418590024 /nfs/dbraw/zinc/59/00/24/418590024.db2.gz MDBLGEURXVCWCF-UHFFFAOYSA-N 0 3 303.406 1.862 20 10 DDCDHN CCN(CC)c1ccc(CNC[C@H]2CN(C)CCN2C)cc1 ZINC000264769359 222335930 /nfs/dbraw/zinc/33/59/30/222335930.db2.gz QWYCCBZNBYKJBI-SFHVURJKSA-N 0 3 304.482 1.868 20 10 DDCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1cc(F)ccc1[O-] ZINC000368318587 418719264 /nfs/dbraw/zinc/71/92/64/418719264.db2.gz NBZWGKDCIKIXRU-MFKMUULPSA-N 0 3 318.352 1.721 20 10 DDCDHN C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(F)ccc1[O-] ZINC000368211078 418704902 /nfs/dbraw/zinc/70/49/02/418704902.db2.gz BTBULRYRJPHUNS-ABAIWWIYSA-N 0 3 322.380 1.962 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c1 ZINC000370286306 418742587 /nfs/dbraw/zinc/74/25/87/418742587.db2.gz URNUXSGQGBGYAD-YOEHRIQHSA-N 0 3 304.390 1.938 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)c([O-])c1 ZINC000370374226 418743730 /nfs/dbraw/zinc/74/37/30/418743730.db2.gz LCLASPRHRCMLHA-GFCCVEGCSA-N 0 3 316.409 1.544 20 10 DDCDHN C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccccc1[O-] ZINC000362238760 418751518 /nfs/dbraw/zinc/75/15/18/418751518.db2.gz OGKBLAJJDVSJCS-SWLSCSKDSA-N 0 3 304.390 1.823 20 10 DDCDHN Cc1cccc(CN2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1O ZINC000371418829 418790231 /nfs/dbraw/zinc/79/02/31/418790231.db2.gz QYXNHHBGCLJYBT-INIZCTEOSA-N 0 3 318.417 1.914 20 10 DDCDHN CN1CCN(C[C@@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)CC1 ZINC000377633314 290045295 /nfs/dbraw/zinc/04/52/95/290045295.db2.gz XBPYBVUYFRJDTO-HNNXBMFYSA-N 0 3 321.440 1.991 20 10 DDCDHN CN1CCN(C[C@@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)CC1 ZINC000377633314 290045297 /nfs/dbraw/zinc/04/52/97/290045297.db2.gz XBPYBVUYFRJDTO-HNNXBMFYSA-N 0 3 321.440 1.991 20 10 DDCDHN Cc1cccc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1[O-] ZINC000529644021 307565225 /nfs/dbraw/zinc/56/52/25/307565225.db2.gz LUUPVOXEFTYMBA-SFHVURJKSA-N 0 3 320.433 1.406 20 10 DDCDHN COc1ccc(O)c(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1 ZINC000375401700 337010497 /nfs/dbraw/zinc/01/04/97/337010497.db2.gz PUYPLJNCXKEXHB-GHMZBOCLSA-N 0 3 318.295 1.496 20 10 DDCDHN CCC[C@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000236887639 521115271 /nfs/dbraw/zinc/11/52/71/521115271.db2.gz MJGLERILGWFTQP-HNNXBMFYSA-N 0 3 323.412 1.530 20 10 DDCDHN CNC(=O)C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000159588122 524049215 /nfs/dbraw/zinc/04/92/15/524049215.db2.gz ALZYMLONXMSUAJ-UHFFFAOYSA-N 0 3 308.378 1.367 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000180031858 524741806 /nfs/dbraw/zinc/74/18/06/524741806.db2.gz HQRPOHOODWCOGW-OAHLLOKOSA-N 0 3 320.433 1.945 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000180031858 524741812 /nfs/dbraw/zinc/74/18/12/524741812.db2.gz HQRPOHOODWCOGW-OAHLLOKOSA-N 0 3 320.433 1.945 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000186167036 525924309 /nfs/dbraw/zinc/92/43/09/525924309.db2.gz MPNJLHBXCMJDMH-QWHCGFSZSA-N 0 3 312.435 1.633 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([O-])c1O ZINC000182823574 526131622 /nfs/dbraw/zinc/13/16/22/526131622.db2.gz MPVKXMWEJXWCDX-JSGCOSHPSA-N 0 3 304.390 1.963 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([O-])c1O ZINC000182823574 526131630 /nfs/dbraw/zinc/13/16/30/526131630.db2.gz MPVKXMWEJXWCDX-JSGCOSHPSA-N 0 3 304.390 1.963 20 10 DDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC1CCN(C2CC2)CC1 ZINC000180615712 527613450 /nfs/dbraw/zinc/61/34/50/527613450.db2.gz PMHKADAYLZWBFB-QHHAFSJGSA-N 0 3 302.374 1.854 20 10 DDCDHN O[C@@H](CNCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000219454130 697754520 /nfs/dbraw/zinc/75/45/20/697754520.db2.gz DBLPNQKBHVZLFU-ZDUSSCGKSA-N 0 3 304.312 1.536 20 10 DDCDHN CCN(C)c1ccc(CN[C@]2(CC(=O)OC)CCOC2)cc1 ZINC000773849969 697813437 /nfs/dbraw/zinc/81/34/37/697813437.db2.gz SZZXPDJMFZQKDE-KRWDZBQOSA-N 0 3 306.406 1.955 20 10 DDCDHN CCCN(CC(=O)OC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775634210 698016881 /nfs/dbraw/zinc/01/68/81/698016881.db2.gz ORTFFYDTIXAKOR-UHFFFAOYSA-N 0 3 319.449 1.823 20 10 DDCDHN C[C@H](N[C@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000296419330 698592673 /nfs/dbraw/zinc/59/26/73/698592673.db2.gz LHBGLLBUSFDDTH-BBRMVZONSA-N 0 3 303.406 1.452 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@@H](N)CC3CC3)CC2)cc1 ZINC000319399391 698711734 /nfs/dbraw/zinc/71/17/34/698711734.db2.gz LXHKQZVVGLTWAA-INIZCTEOSA-N 0 3 303.406 1.471 20 10 DDCDHN COc1cc(O)c(CN2CCC3(COC(=O)N3)CC2)cc1OC ZINC000784023479 698903650 /nfs/dbraw/zinc/90/36/50/698903650.db2.gz KGQGZXSECHLOTO-UHFFFAOYSA-N 0 3 322.361 1.484 20 10 DDCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ncnn1C ZINC000788972383 699351989 /nfs/dbraw/zinc/35/19/89/699351989.db2.gz ZXVZCZVCBXXJQY-CQSZACIVSA-N 0 3 314.437 1.418 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)[C@H](O)CO2 ZINC000789506622 699390820 /nfs/dbraw/zinc/39/08/20/699390820.db2.gz NDWDOSCHXBIMCF-BMFZPTHFSA-N 0 3 305.374 1.961 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)[C@H](O)CO2 ZINC000789506622 699390823 /nfs/dbraw/zinc/39/08/23/699390823.db2.gz NDWDOSCHXBIMCF-BMFZPTHFSA-N 0 3 305.374 1.961 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c([O-])c1 ZINC000792187288 699681680 /nfs/dbraw/zinc/68/16/80/699681680.db2.gz ROYKXESITQFWBM-AWEZNQCLSA-N 0 3 304.390 1.988 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c([O-])c1 ZINC000792187288 699681681 /nfs/dbraw/zinc/68/16/81/699681681.db2.gz ROYKXESITQFWBM-AWEZNQCLSA-N 0 3 304.390 1.988 20 10 DDCDHN CN(Cc1cc2c(cc1O)CCC2)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793588849 699766029 /nfs/dbraw/zinc/76/60/29/699766029.db2.gz NIEZXWOWKDIXMN-OAHLLOKOSA-N 0 3 324.446 1.347 20 10 DDCDHN CCCC[N@H+](CCCS(=O)(=O)NC)Cc1ccccc1[O-] ZINC000801597505 700326063 /nfs/dbraw/zinc/32/60/63/700326063.db2.gz ISOAJDYFGVCWLU-UHFFFAOYSA-N 0 3 314.451 1.934 20 10 DDCDHN CCCC[N@@H+](CCCS(=O)(=O)NC)Cc1ccccc1[O-] ZINC000801597505 700326068 /nfs/dbraw/zinc/32/60/68/700326068.db2.gz ISOAJDYFGVCWLU-UHFFFAOYSA-N 0 3 314.451 1.934 20 10 DDCDHN CCN(C)c1ccc([C@H](C)NCC(=O)N2CCN(C)CC2)cc1 ZINC000765415808 701010783 /nfs/dbraw/zinc/01/07/83/701010783.db2.gz AQMYJVKKYNRLOM-HNNXBMFYSA-N 0 3 318.465 1.567 20 10 DDCDHN CC(=O)OC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768462473 701179855 /nfs/dbraw/zinc/17/98/55/701179855.db2.gz LTRPGHLRBYOXDZ-OAHLLOKOSA-N 0 3 307.346 1.346 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC(c2nncn2C)CC1 ZINC000768770122 701201458 /nfs/dbraw/zinc/20/14/58/701201458.db2.gz RUZCEOBVWKTUGD-UHFFFAOYSA-N 0 3 302.378 1.909 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@]2(C)CO)cc1 ZINC000839556106 701735128 /nfs/dbraw/zinc/73/51/28/701735128.db2.gz HUXKHBKKAIDSJO-QGZVFWFLSA-N 0 3 305.422 1.216 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN1CCN(C[C@H](C)O)C[C@H]1C ZINC000840940801 702287983 /nfs/dbraw/zinc/28/79/83/702287983.db2.gz GFZPWNMZUJABJR-CVEARBPZSA-N 0 3 305.466 1.948 20 10 DDCDHN CC(=O)N[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000817412905 702373116 /nfs/dbraw/zinc/37/31/16/702373116.db2.gz QODRLAJMBQTNGQ-INIZCTEOSA-N 0 3 303.406 1.234 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)c([O-])c1 ZINC000817419375 702376620 /nfs/dbraw/zinc/37/66/20/702376620.db2.gz UUWGVWTXCQWOJW-GFCCVEGCSA-N 0 3 303.366 1.272 20 10 DDCDHN CCOC(=O)[C@H]1NCC[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000817900665 702513330 /nfs/dbraw/zinc/51/33/30/702513330.db2.gz UYDLREGGPJFMKQ-SJORKVTESA-N 0 3 317.433 1.670 20 10 DDCDHN Cc1cc(O)c(CN2CN(CCN(C)C)C(=O)[C@H]2C)cc1C ZINC000843428635 702879823 /nfs/dbraw/zinc/87/98/23/702879823.db2.gz LIVUINZQCZXCNB-CQSZACIVSA-N 0 3 305.422 1.561 20 10 DDCDHN CC[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000846189249 703248597 /nfs/dbraw/zinc/24/85/97/703248597.db2.gz QMALWKLBQJPIQL-TZMCWYRMSA-N 0 3 312.435 1.775 20 10 DDCDHN COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652354 706750045 /nfs/dbraw/zinc/75/00/45/706750045.db2.gz YXBXKJPTRWSUIK-GXTWGEPZSA-N 0 3 322.405 1.747 20 10 DDCDHN CCOc1ccc(C[NH2+][C@H]2CCc3c(nnn3C)C2)c([O-])c1 ZINC000848566644 703563677 /nfs/dbraw/zinc/56/36/77/703563677.db2.gz CWZXIOFWZWYOMA-LBPRGKRZSA-N 0 3 302.378 1.567 20 10 DDCDHN CCOc1ccc(C[NH2+]C[C@@]2(OCCO)CCOC2)c([O-])c1 ZINC000850358661 703727144 /nfs/dbraw/zinc/72/71/44/703727144.db2.gz TYJNWMBMUNRJBT-INIZCTEOSA-N 0 3 311.378 1.049 20 10 DDCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)CN(C)C ZINC000819825062 704177200 /nfs/dbraw/zinc/17/72/00/704177200.db2.gz PWYDNKXDHSNXBT-ZDUSSCGKSA-N 0 3 321.446 1.808 20 10 DDCDHN O=C1NCC[C@H]1CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000821390891 704402797 /nfs/dbraw/zinc/40/27/97/704402797.db2.gz FOKZOMUAEFCJPA-HOCLYGCPSA-N 0 3 318.417 1.899 20 10 DDCDHN O=C1NCC[C@H]1CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000821390891 704402798 /nfs/dbraw/zinc/40/27/98/704402798.db2.gz FOKZOMUAEFCJPA-HOCLYGCPSA-N 0 3 318.417 1.899 20 10 DDCDHN CN(C)c1cc(F)c(CNCCCNS(C)(=O)=O)cc1F ZINC000858091045 704664775 /nfs/dbraw/zinc/66/47/75/704664775.db2.gz NLIMQKUUCPKTOO-UHFFFAOYSA-N 0 3 321.393 1.060 20 10 DDCDHN CC[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NC ZINC000834914834 707147868 /nfs/dbraw/zinc/14/78/68/707147868.db2.gz WWWNHZKAMJGNSY-DOMZBBRYSA-N 0 3 323.412 1.838 20 10 DDCDHN CCOC(=O)[C@@H]1C[N@H+](Cc2c([O-])cccc2OC)CC12COC2 ZINC000824490150 705463634 /nfs/dbraw/zinc/46/36/34/705463634.db2.gz XZCNFMZYBRTSLO-ZDUSSCGKSA-N 0 3 321.373 1.412 20 10 DDCDHN CCOC(=O)[C@@H]1C[N@@H+](Cc2c([O-])cccc2OC)CC12COC2 ZINC000824490150 705463635 /nfs/dbraw/zinc/46/36/35/705463635.db2.gz XZCNFMZYBRTSLO-ZDUSSCGKSA-N 0 3 321.373 1.412 20 10 DDCDHN CCN(CCC[NH2+]Cc1ccc(C)cc1[O-])S(C)(=O)=O ZINC000876956340 705937788 /nfs/dbraw/zinc/93/77/88/705937788.db2.gz KFAPFXACWGXABX-UHFFFAOYSA-N 0 3 300.424 1.462 20 10 DDCDHN C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCN1CCO ZINC000835044960 707161327 /nfs/dbraw/zinc/16/13/27/707161327.db2.gz DYNFPGKJGIZSLF-YIEVGGLXSA-N 0 3 303.450 1.764 20 10 DDCDHN CN(C)c1ccc(CN[C@H]2C[C@H](S(C)(=O)=O)C2)cc1F ZINC000883379015 707987961 /nfs/dbraw/zinc/98/79/61/707987961.db2.gz JAODYRZEVSSRFV-HAQNSBGRSA-N 0 3 300.399 1.557 20 10 DDCDHN CN(C)c1ccc(/C=C\CN[C@H]2C[C@H](S(C)(=O)=O)C2)cc1 ZINC000883380358 707988521 /nfs/dbraw/zinc/98/85/21/707988521.db2.gz JPVAUERZIQXRCJ-WHSBIXSXSA-N 0 3 308.447 1.931 20 10 DDCDHN CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000839193120 708035043 /nfs/dbraw/zinc/03/50/43/708035043.db2.gz PLCZNRWUTBDWCI-NWDGAFQWSA-N 0 3 316.195 1.967 20 10 DDCDHN COCC[C@H](N)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000884203113 708187793 /nfs/dbraw/zinc/18/77/93/708187793.db2.gz PHAABBIUZPFZGO-CJNGLKHVSA-N 0 3 321.421 1.064 20 10 DDCDHN CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000898356474 708619893 /nfs/dbraw/zinc/61/98/93/708619893.db2.gz QNRGQOGHFHSARZ-WCQYABFASA-N 0 3 312.341 1.070 20 10 DDCDHN Cc1ccc(C(=O)NC[C@H]2CCN2C2CCOCC2)c(O)c1O ZINC000885876424 708647422 /nfs/dbraw/zinc/64/74/22/708647422.db2.gz QQTAGRXUGYSEBB-CYBMUJFWSA-N 0 3 320.389 1.389 20 10 DDCDHN C[C@@H]1C[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CO1 ZINC000891248817 710141302 /nfs/dbraw/zinc/14/13/02/710141302.db2.gz OFNWBRFHXAAXOJ-UKPHBRMFSA-N 0 3 319.449 1.897 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCO2)N(C)C)cc1 ZINC000891254127 710143378 /nfs/dbraw/zinc/14/33/78/710143378.db2.gz VTRULTNODUYQSM-HZPDHXFCSA-N 0 3 305.422 1.651 20 10 DDCDHN COC(=O)c1c(CNCC[C@H](C)O)c2cc(F)ccc2n1C ZINC000894563514 711182783 /nfs/dbraw/zinc/18/27/83/711182783.db2.gz QRNJIIQZXKJTHV-JTQLQIEISA-N 0 3 308.353 1.965 20 10 DDCDHN COc1cc(C)cc(CN2CN(CCN(C)C)C(=O)[C@@H]2C)c1O ZINC000895083482 711401440 /nfs/dbraw/zinc/40/14/40/711401440.db2.gz AHDRFNWMILEETK-ZDUSSCGKSA-N 0 3 321.421 1.261 20 10 DDCDHN COc1ccc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c(O)c1OC ZINC000895620664 711561764 /nfs/dbraw/zinc/56/17/64/711561764.db2.gz BOQGEGVOZWOJNJ-MWLCHTKSSA-N 0 3 315.391 1.075 20 10 DDCDHN O=C(NCc1ccccc1O)NC[C@@H]1CCN1C1CCOCC1 ZINC000915525479 713422302 /nfs/dbraw/zinc/42/23/02/713422302.db2.gz PEEQWNLJFRMZKM-HNNXBMFYSA-N 0 3 319.405 1.445 20 10 DDCDHN CS(=O)(=O)CC1(CNCc2ccc3c(c2)CCCO3)CC1 ZINC000921818977 713877106 /nfs/dbraw/zinc/87/71/06/713877106.db2.gz LKMFWYLTFDLFQX-UHFFFAOYSA-N 0 3 309.431 1.926 20 10 DDCDHN CS(=O)(=O)N1CCC[C@@H]1CNCc1ccc2c(c1)CCCO2 ZINC000921926848 713911045 /nfs/dbraw/zinc/91/10/45/713911045.db2.gz BHEGGMXQKMRCQZ-OAHLLOKOSA-N 0 3 324.446 1.525 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCO[C@@H]1c1nnc(C)[nH]1 ZINC000922408599 714045417 /nfs/dbraw/zinc/04/54/17/714045417.db2.gz AZIKVIAGEYTNJF-NHYWBVRUSA-N 0 3 318.377 1.695 20 10 DDCDHN COc1cc(O)c(CN2CC[C@@H](N(C)C(C)=O)C2)c(OC)c1 ZINC001141030764 860766999 /nfs/dbraw/zinc/76/69/99/860766999.db2.gz KFUJCDVRJXJDQX-GFCCVEGCSA-N 0 3 308.378 1.462 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN1CCN(Cc2nnc[nH]2)CC1 ZINC001332722948 866097653 /nfs/dbraw/zinc/09/76/53/866097653.db2.gz DDUQOCDDANFFAV-UHFFFAOYSA-N 0 3 314.437 1.497 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001161130374 866393869 /nfs/dbraw/zinc/39/38/69/866393869.db2.gz HOBKVTXEBAOMRF-INIZCTEOSA-N 0 3 315.421 1.394 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001161130374 866393877 /nfs/dbraw/zinc/39/38/77/866393877.db2.gz HOBKVTXEBAOMRF-INIZCTEOSA-N 0 3 315.421 1.394 20 10 DDCDHN Cc1ccc(O)c(CNCc2ccc(S(N)(=O)=O)cc2F)c1 ZINC001308868265 871535144 /nfs/dbraw/zinc/53/51/44/871535144.db2.gz DOIFIWYMHCBZSC-UHFFFAOYSA-N 0 3 324.377 1.777 20 10 DDCDHN CN1CCO[C@@]2(CCCN(Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516449 873122536 /nfs/dbraw/zinc/12/25/36/873122536.db2.gz CHOCSFCXMDFDGI-INIZCTEOSA-N 0 3 308.378 1.100 20 10 DDCDHN O=C(NCC(F)F)[C@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2 ZINC001277485326 885205918 /nfs/dbraw/zinc/20/59/18/885205918.db2.gz ZLRYVTPQIJGYJI-SNVBAGLBSA-N 0 3 314.307 1.735 20 10 DDCDHN CCN(CC)c1ccc(CN2CC3(C[C@@H]3C(N)=O)C2)c(O)c1 ZINC001277533809 885736356 /nfs/dbraw/zinc/73/63/56/885736356.db2.gz NJSHYWWQEDJGLI-CQSZACIVSA-N 0 3 303.406 1.546 20 10 DDCDHN COc1cc([O-])c(CN2C[C@H]3C[NH2+]C[C@H]32)cc1Br ZINC001236290774 889165069 /nfs/dbraw/zinc/16/50/69/889165069.db2.gz KHRWGTXJXLDVFL-MWLCHTKSSA-N 0 3 313.195 1.567 20 10 DDCDHN COc1cc(C)c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c([O-])c1 ZINC001236809035 889369614 /nfs/dbraw/zinc/36/96/14/889369614.db2.gz DAZLYMFFMYZTAP-QLPKVWCKSA-N 0 3 318.417 1.912 20 10 DDCDHN COc1cc(C)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c([O-])c1 ZINC001236809035 889369627 /nfs/dbraw/zinc/36/96/27/889369627.db2.gz DAZLYMFFMYZTAP-QLPKVWCKSA-N 0 3 318.417 1.912 20 10 DDCDHN CN1CCN(c2ccc(CN3CC[C@@]34CCOC4)c(F)c2)CC1 ZINC001236945086 889434401 /nfs/dbraw/zinc/43/44/01/889434401.db2.gz HUPZVOSOHLYNAK-SFHVURJKSA-N 0 3 319.424 1.942 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c([O-])c1 ZINC001249173036 893848396 /nfs/dbraw/zinc/84/83/96/893848396.db2.gz QAUJFPFNIYCPQL-ZIAGYGMSSA-N 0 3 311.353 1.403 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)c([O-])c1 ZINC001249173036 893848417 /nfs/dbraw/zinc/84/84/17/893848417.db2.gz QAUJFPFNIYCPQL-ZIAGYGMSSA-N 0 3 311.353 1.403 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c([O-])c1 ZINC001249173571 893852412 /nfs/dbraw/zinc/85/24/12/893852412.db2.gz UDQOTIHQXQOTJH-IUODEOHRSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c([O-])c1 ZINC001249173571 893852422 /nfs/dbraw/zinc/85/24/22/893852422.db2.gz UDQOTIHQXQOTJH-IUODEOHRSA-N 0 3 307.390 1.701 20 10 DDCDHN CCOC(=O)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000016080012 352157488 /nfs/dbraw/zinc/15/74/88/352157488.db2.gz BRMAPNVKPBNTCH-NSHDSACASA-N 0 3 307.346 1.896 20 10 DDCDHN CCN1CCN([C@@H]2CCN(Cc3ccc(N(C)C)cc3)C2)CC1 ZINC000093132618 193206434 /nfs/dbraw/zinc/20/64/34/193206434.db2.gz UXBQDUPAHYWKAZ-LJQANCHMSA-N 0 3 316.493 1.964 20 10 DDCDHN COc1cc([O-])c(C[NH2+]C[C@@](C)(O)CSC)cc1OC ZINC000271800113 407731636 /nfs/dbraw/zinc/73/16/36/407731636.db2.gz ISGYNWWQZMYNQB-CQSZACIVSA-N 0 3 301.408 1.613 20 10 DDCDHN CCCS(=O)(=O)NC1CCN(Cc2ccccc2O)CC1 ZINC000179560249 407807652 /nfs/dbraw/zinc/80/76/52/407807652.db2.gz OJZQUCBUKIEQDR-UHFFFAOYSA-N 0 3 312.435 1.686 20 10 DDCDHN CCC[N@H+](CCCNS(=O)(=O)CC)Cc1ccccc1[O-] ZINC000133214030 407827024 /nfs/dbraw/zinc/82/70/24/407827024.db2.gz WOWMNXWIIIBOKL-UHFFFAOYSA-N 0 3 314.451 1.934 20 10 DDCDHN CCC[N@@H+](CCCNS(=O)(=O)CC)Cc1ccccc1[O-] ZINC000133214030 407827030 /nfs/dbraw/zinc/82/70/30/407827030.db2.gz WOWMNXWIIIBOKL-UHFFFAOYSA-N 0 3 314.451 1.934 20 10 DDCDHN C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)N)cc2F)C[C@H](C)O1 ZINC000269253989 408234253 /nfs/dbraw/zinc/23/42/53/408234253.db2.gz RBGIFQBQTFMFSW-TXEJJXNPSA-N 0 3 323.412 1.793 20 10 DDCDHN C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccccc1[O-] ZINC000183616081 408454694 /nfs/dbraw/zinc/45/46/94/408454694.db2.gz FEZLNHJZCBYVNV-GFCCVEGCSA-N 0 3 324.446 1.999 20 10 DDCDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184701970 408669771 /nfs/dbraw/zinc/66/97/71/408669771.db2.gz PXAWSMLLJOEXTN-SECBINFHSA-N 0 3 300.786 1.868 20 10 DDCDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184701970 408669775 /nfs/dbraw/zinc/66/97/75/408669775.db2.gz PXAWSMLLJOEXTN-SECBINFHSA-N 0 3 300.786 1.868 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c1 ZINC000185317534 408794089 /nfs/dbraw/zinc/79/40/89/408794089.db2.gz IRVJSGALXYQYQG-CMPLNLGQSA-N 0 3 302.378 1.966 20 10 DDCDHN C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccccc1[O-] ZINC000281188133 408874429 /nfs/dbraw/zinc/87/44/29/408874429.db2.gz RCFQFKHZUIDYLL-NWDGAFQWSA-N 0 3 314.389 1.601 20 10 DDCDHN NCC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000165994470 408815311 /nfs/dbraw/zinc/81/53/11/408815311.db2.gz DRVPUEPYOONXAO-UHFFFAOYSA-N 0 3 317.311 1.629 20 10 DDCDHN CCCC[N@H+](CCC(=O)NCC(=O)OC)Cc1ccccc1[O-] ZINC000282412658 409049344 /nfs/dbraw/zinc/04/93/44/409049344.db2.gz IRAMPWQRODKTBD-UHFFFAOYSA-N 0 3 322.405 1.674 20 10 DDCDHN CCCC[N@@H+](CCC(=O)NCC(=O)OC)Cc1ccccc1[O-] ZINC000282412658 409049348 /nfs/dbraw/zinc/04/93/48/409049348.db2.gz IRAMPWQRODKTBD-UHFFFAOYSA-N 0 3 322.405 1.674 20 10 DDCDHN COC[C@]1(C(=O)OC)CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000295086347 409318450 /nfs/dbraw/zinc/31/84/50/409318450.db2.gz RALPEJNDDPSHGU-INIZCTEOSA-N 0 3 309.362 1.412 20 10 DDCDHN COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000295086347 409318454 /nfs/dbraw/zinc/31/84/54/409318454.db2.gz RALPEJNDDPSHGU-INIZCTEOSA-N 0 3 309.362 1.412 20 10 DDCDHN COc1ccc(O)c(CN2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000362047558 418745011 /nfs/dbraw/zinc/74/50/11/418745011.db2.gz SELYXYMEDIBRBK-CYBMUJFWSA-N 0 3 305.378 1.390 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)c1 ZINC000185392193 295167193 /nfs/dbraw/zinc/16/71/93/295167193.db2.gz RTUHBFYTYSMSEV-UONOGXRCSA-N 0 3 307.438 1.687 20 10 DDCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)c([O-])c1 ZINC000365653751 520351904 /nfs/dbraw/zinc/35/19/04/520351904.db2.gz FPBOZHHSPLYAAW-ZFWWWQNUSA-N 0 3 304.390 1.749 20 10 DDCDHN CCCOc1ccc(C[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)c([O-])c1 ZINC000365653751 520351910 /nfs/dbraw/zinc/35/19/10/520351910.db2.gz FPBOZHHSPLYAAW-ZFWWWQNUSA-N 0 3 304.390 1.749 20 10 DDCDHN COC[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000265754098 522474304 /nfs/dbraw/zinc/47/43/04/522474304.db2.gz FXDNRTGJGFDHJG-MRXNPFEDSA-N 0 3 319.449 1.679 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@@H]3CCCCN3)CC2)cc1F ZINC000237267152 524418010 /nfs/dbraw/zinc/41/80/10/524418010.db2.gz ZHTOEQHQSRIZCF-HNNXBMFYSA-N 0 3 321.396 1.625 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([O-])c1O ZINC000182823529 526132305 /nfs/dbraw/zinc/13/23/05/526132305.db2.gz MPVKXMWEJXWCDX-OCCSQVGLSA-N 0 3 304.390 1.963 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([O-])c1O ZINC000182823529 526132315 /nfs/dbraw/zinc/13/23/15/526132315.db2.gz MPVKXMWEJXWCDX-OCCSQVGLSA-N 0 3 304.390 1.963 20 10 DDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@]12CCCO2 ZINC000273628313 535507657 /nfs/dbraw/zinc/50/76/57/535507657.db2.gz SEASISQGJFCAKN-GVDBMIGSSA-N 0 3 321.373 1.937 20 10 DDCDHN CN(C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)S(C)(=O)=O ZINC000289361715 536424623 /nfs/dbraw/zinc/42/46/23/536424623.db2.gz KKMWVBXWUGMGRZ-ZDUSSCGKSA-N 0 3 312.435 1.496 20 10 DDCDHN CN(C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)S(C)(=O)=O ZINC000289361715 536424627 /nfs/dbraw/zinc/42/46/27/536424627.db2.gz KKMWVBXWUGMGRZ-ZDUSSCGKSA-N 0 3 312.435 1.496 20 10 DDCDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cnn(C)c2)C1 ZINC000067208702 696359955 /nfs/dbraw/zinc/35/99/55/696359955.db2.gz HJTQMDUCOTVAKN-FDMDGMSGSA-N 0 3 310.401 1.953 20 10 DDCDHN COc1cc(O)c(CN[C@@H](C)C(=O)N2CCCC2)cc1OC ZINC000798959381 700106236 /nfs/dbraw/zinc/10/62/36/700106236.db2.gz GJQQFOWLFAANSS-NSHDSACASA-N 0 3 308.378 1.510 20 10 DDCDHN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000799348109 700138184 /nfs/dbraw/zinc/13/81/84/700138184.db2.gz YNJMSZFJLHQEQJ-WBMJQRKESA-N 0 3 321.396 1.277 20 10 DDCDHN CC[C@H](CO)N1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000180519205 697449318 /nfs/dbraw/zinc/44/93/18/697449318.db2.gz GAQBIOMCAQDWIE-CQSZACIVSA-N 0 3 324.421 1.298 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC(=O)NC2CC2)c1 ZINC000775368556 697989330 /nfs/dbraw/zinc/98/93/30/697989330.db2.gz AUNGVMIFQXHDKY-SECBINFHSA-N 0 3 307.350 1.040 20 10 DDCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NC(=O)NC(C)C)c1 ZINC000775370930 697989362 /nfs/dbraw/zinc/98/93/62/697989362.db2.gz XNMKRQDAQSHWHN-QWRGUYRKSA-N 0 3 323.393 1.674 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@H](N)CC(F)F)CC2)cc1 ZINC000389805174 699090017 /nfs/dbraw/zinc/09/00/17/699090017.db2.gz JVZFQNYYCOZVHJ-CYBMUJFWSA-N 0 3 313.348 1.326 20 10 DDCDHN CC1(C)CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1O ZINC000790937179 699604027 /nfs/dbraw/zinc/60/40/27/699604027.db2.gz LAKSEYBHWPRMPH-MRXNPFEDSA-N 0 3 308.397 1.865 20 10 DDCDHN CC1(C)OCC(NCc2ccc(N3CCOCC3)c(F)c2)CO1 ZINC000758010892 700680778 /nfs/dbraw/zinc/68/07/78/700680778.db2.gz VNZXJQPJSIUTDC-UHFFFAOYSA-N 0 3 324.396 1.903 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCOCC3(CCC3)C1)[C@H](O)CO2 ZINC000758985917 700732073 /nfs/dbraw/zinc/73/20/73/700732073.db2.gz DWFWZKAQCIOZCZ-OAHLLOKOSA-N 0 3 305.374 1.821 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCOCC3(CCC3)C1)[C@H](O)CO2 ZINC000758985917 700732074 /nfs/dbraw/zinc/73/20/74/700732074.db2.gz DWFWZKAQCIOZCZ-OAHLLOKOSA-N 0 3 305.374 1.821 20 10 DDCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N(C)C ZINC000764938645 700992238 /nfs/dbraw/zinc/99/22/38/700992238.db2.gz HLFZAIKSQVWSCU-UONOGXRCSA-N 0 3 305.422 1.651 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC3(C1)CCOCC3)[C@@H](O)CO2 ZINC000768466530 701180532 /nfs/dbraw/zinc/18/05/32/701180532.db2.gz RNPKGQAXPUECRD-HNNXBMFYSA-N 0 3 305.374 1.821 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC3(C1)CCOCC3)[C@@H](O)CO2 ZINC000768466530 701180534 /nfs/dbraw/zinc/18/05/34/701180534.db2.gz RNPKGQAXPUECRD-HNNXBMFYSA-N 0 3 305.374 1.821 20 10 DDCDHN COc1cccc(O)c1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000769326760 701241288 /nfs/dbraw/zinc/24/12/88/701241288.db2.gz HCPBFNNUXVRNCT-HOCLYGCPSA-N 0 3 306.406 1.432 20 10 DDCDHN COc1cccc(O)c1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000769523311 701248161 /nfs/dbraw/zinc/24/81/61/701248161.db2.gz FWTDYGWZMPYXEH-AWEZNQCLSA-N 0 3 306.406 1.555 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NC[C@@H]2CCCO2)c1 ZINC000839539022 701729944 /nfs/dbraw/zinc/72/99/44/701729944.db2.gz HIQCVPAWEFANNP-AAEUAGOBSA-N 0 3 308.378 1.347 20 10 DDCDHN Cc1cnn([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)c1 ZINC000811802132 702063291 /nfs/dbraw/zinc/06/32/91/702063291.db2.gz XKYUMJUCMRUGIB-CJNGLKHVSA-N 0 3 315.373 1.770 20 10 DDCDHN Cc1cnn([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)c1 ZINC000811802132 702063298 /nfs/dbraw/zinc/06/32/98/702063298.db2.gz XKYUMJUCMRUGIB-CJNGLKHVSA-N 0 3 315.373 1.770 20 10 DDCDHN COc1cccc(O)c1CN1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000816641946 702134077 /nfs/dbraw/zinc/13/40/77/702134077.db2.gz KJIQPCYPNXZXTJ-CYBMUJFWSA-N 0 3 318.377 1.322 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000816641946 702134078 /nfs/dbraw/zinc/13/40/78/702134078.db2.gz KJIQPCYPNXZXTJ-CYBMUJFWSA-N 0 3 318.377 1.322 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000816641946 702134081 /nfs/dbraw/zinc/13/40/81/702134081.db2.gz KJIQPCYPNXZXTJ-CYBMUJFWSA-N 0 3 318.377 1.322 20 10 DDCDHN CS(=O)(=O)CC1(C[NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000840976824 702300046 /nfs/dbraw/zinc/30/00/46/702300046.db2.gz YCCZYSAFCYPBGY-UHFFFAOYSA-N 0 3 301.383 1.836 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CC[C@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000814173326 702490657 /nfs/dbraw/zinc/49/06/57/702490657.db2.gz JVVWLAKKKSSKTJ-GWCFXTLKSA-N 0 3 307.350 1.445 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CC[C@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000814173326 702490659 /nfs/dbraw/zinc/49/06/59/702490659.db2.gz JVVWLAKKKSSKTJ-GWCFXTLKSA-N 0 3 307.350 1.445 20 10 DDCDHN COc1c([O-])c(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000814173326 702490662 /nfs/dbraw/zinc/49/06/62/702490662.db2.gz JVVWLAKKKSSKTJ-GWCFXTLKSA-N 0 3 307.350 1.445 20 10 DDCDHN COc1c([O-])c(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000814173326 702490665 /nfs/dbraw/zinc/49/06/65/702490665.db2.gz JVVWLAKKKSSKTJ-GWCFXTLKSA-N 0 3 307.350 1.445 20 10 DDCDHN C[C@H](N[C@@H]1COC[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000866418650 706694241 /nfs/dbraw/zinc/69/42/41/706694241.db2.gz PAFQGHOXDLLNHJ-PEYYIBSZSA-N 0 3 310.369 1.073 20 10 DDCDHN COc1ccc(N2CCN(CC[C@@H]3CCNC3=O)CC2)cc1F ZINC000846813462 703336319 /nfs/dbraw/zinc/33/63/19/703336319.db2.gz FRNIRQPPKMAHSY-ZDUSSCGKSA-N 0 3 321.396 1.483 20 10 DDCDHN CCOC(=O)CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C(C)C ZINC000848502589 703558545 /nfs/dbraw/zinc/55/85/45/703558545.db2.gz VLZJVTPJEUESDA-OAHLLOKOSA-N 0 3 323.389 1.982 20 10 DDCDHN CCOC(=O)CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C(C)C ZINC000848502589 703558546 /nfs/dbraw/zinc/55/85/46/703558546.db2.gz VLZJVTPJEUESDA-OAHLLOKOSA-N 0 3 323.389 1.982 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848562319 703563335 /nfs/dbraw/zinc/56/33/35/703563335.db2.gz HRFMOHFMNMHCEA-MCIONIFRSA-N 0 3 308.422 1.988 20 10 DDCDHN CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)c([O-])c1 ZINC000850369308 703727997 /nfs/dbraw/zinc/72/79/97/703727997.db2.gz UQEBIHNDYDMHKR-YPMHNXCESA-N 0 3 313.419 1.846 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](n3ccnn3)C1)[C@H](O)CO2 ZINC000819895979 704182720 /nfs/dbraw/zinc/18/27/20/704182720.db2.gz CSWFHOZCWOACEW-SWLSCSKDSA-N 0 3 316.361 1.247 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](n3ccnn3)C1)[C@H](O)CO2 ZINC000819895979 704182723 /nfs/dbraw/zinc/18/27/23/704182723.db2.gz CSWFHOZCWOACEW-SWLSCSKDSA-N 0 3 316.361 1.247 20 10 DDCDHN Oc1cc2c(cc1CN1CCC[C@H](n3ccnn3)C1)[C@H](O)CO2 ZINC000819895979 704182726 /nfs/dbraw/zinc/18/27/26/704182726.db2.gz CSWFHOZCWOACEW-SWLSCSKDSA-N 0 3 316.361 1.247 20 10 DDCDHN NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000858469301 704715568 /nfs/dbraw/zinc/71/55/68/704715568.db2.gz SXDKRFUDTRDXSS-KGLIPLIRSA-N 0 3 303.406 1.309 20 10 DDCDHN COc1ccc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c(O)c1OC ZINC000894159130 710991936 /nfs/dbraw/zinc/99/19/36/710991936.db2.gz SDIXNNHHRYTQSK-QWHCGFSZSA-N 0 3 324.421 1.296 20 10 DDCDHN CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2CNCCO2)cc1 ZINC000826019871 705759163 /nfs/dbraw/zinc/75/91/63/705759163.db2.gz LYSIZDNYUIQHEF-QGZVFWFLSA-N 0 3 319.449 1.870 20 10 DDCDHN Cn1ncc(CN)c1C(=O)NCCCSc1nccs1 ZINC000876661564 705807930 /nfs/dbraw/zinc/80/79/30/705807930.db2.gz FRZJRRKJBGBEDB-UHFFFAOYSA-N 0 3 311.436 1.248 20 10 DDCDHN COC1CCN(c2ccc(CN(C)CCNC(C)=O)cc2)CC1 ZINC000830148384 706464367 /nfs/dbraw/zinc/46/43/67/706464367.db2.gz UEDLUWYVTASXTG-UHFFFAOYSA-N 0 3 319.449 1.870 20 10 DDCDHN CN(C)c1ccc(/C=C/CNCC(=O)N2CCN(C)CC2)cc1 ZINC000835035303 707160054 /nfs/dbraw/zinc/16/00/54/707160054.db2.gz GSNPTIYWMQSLSR-SNAWJCMRSA-N 0 3 316.449 1.129 20 10 DDCDHN COc1ccc(CNCC[S@@](C)=O)cc1Cn1cccn1 ZINC000873054271 707711573 /nfs/dbraw/zinc/71/15/73/707711573.db2.gz TZXBNQNXKADFFX-OAQYLSRUSA-N 0 3 307.419 1.408 20 10 DDCDHN CCN1CCC[C@H](NCc2cc(OC)c(OC)cc2O)C1=O ZINC000896732612 708135219 /nfs/dbraw/zinc/13/52/19/708135219.db2.gz AJUJOUIEDCDRGP-LBPRGKRZSA-N 0 3 308.378 1.510 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC2(C)COC2)N(C)C)cc1 ZINC000899099280 708982491 /nfs/dbraw/zinc/98/24/91/708982491.db2.gz XZCUCJCKMQDKST-OAHLLOKOSA-N 0 3 320.437 1.443 20 10 DDCDHN CCO[C@@H]1C[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256487 710143862 /nfs/dbraw/zinc/14/38/62/710143862.db2.gz YTTJGZVYULJYIJ-GVDBMIGSSA-N 0 3 319.449 1.897 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)CCCC(N)=O)N(C)C)cc1 ZINC000891256303 710144007 /nfs/dbraw/zinc/14/40/07/710144007.db2.gz XGJTUAZNTNHCPI-OAHLLOKOSA-N 0 3 320.437 1.127 20 10 DDCDHN C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cc(F)ccc1[O-] ZINC000903290901 711090690 /nfs/dbraw/zinc/09/06/90/711090690.db2.gz JDLDIFPIHZTHHW-NSHDSACASA-N 0 3 316.398 1.608 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)NOCC2CC2)N(C)C)cc1 ZINC000895045305 711384146 /nfs/dbraw/zinc/38/41/46/711384146.db2.gz VYNLLHFTUOJLLF-INIZCTEOSA-N 0 3 320.437 1.996 20 10 DDCDHN COC(=O)C[C@]1(NCc2ccc3c(c2)CCCO3)CCOC1 ZINC000922003802 713934342 /nfs/dbraw/zinc/93/43/42/713934342.db2.gz FCDACVBIZGKAQL-QGZVFWFLSA-N 0 3 305.374 1.823 20 10 DDCDHN CC(C)(CNS(C)(=O)=O)NCc1ccc2c(c1)CCCO2 ZINC000922636513 714107313 /nfs/dbraw/zinc/10/73/13/714107313.db2.gz PCIDNLVBWGPZSL-UHFFFAOYSA-N 0 3 312.435 1.429 20 10 DDCDHN CN(C)C[C@H]1NC(=O)N(Cc2ccc(N3CC=CC3)cc2)C1=O ZINC000924683787 714639320 /nfs/dbraw/zinc/63/93/20/714639320.db2.gz ICEKBVBEQYWAKT-OAHLLOKOSA-N 0 3 314.389 1.045 20 10 DDCDHN CN1CCN(c2ccc(CN3CC[C@@]4(O)C[C@H]4C3)cc2F)CC1 ZINC001118664510 781199985 /nfs/dbraw/zinc/19/99/85/781199985.db2.gz XCXFOYIHACYOQZ-MAUKXSAKSA-N 0 3 319.424 1.534 20 10 DDCDHN CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001275909417 853929994 /nfs/dbraw/zinc/92/99/94/853929994.db2.gz YBGSNWBUTLDPAR-DOMZBBRYSA-N 0 3 321.396 1.126 20 10 DDCDHN CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001275909417 853929999 /nfs/dbraw/zinc/92/99/99/853929999.db2.gz YBGSNWBUTLDPAR-DOMZBBRYSA-N 0 3 321.396 1.126 20 10 DDCDHN COC(=O)CO[C@H]1CCN(Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359700 860073080 /nfs/dbraw/zinc/07/30/80/860073080.db2.gz GOMKHLFZQYGZTF-INIZCTEOSA-N 0 3 318.417 1.833 20 10 DDCDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001139130433 860299006 /nfs/dbraw/zinc/29/90/06/860299006.db2.gz FCEUYXPOVSKFDP-BETUJISGSA-N 0 3 314.385 1.800 20 10 DDCDHN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001139130433 860299017 /nfs/dbraw/zinc/29/90/17/860299017.db2.gz FCEUYXPOVSKFDP-BETUJISGSA-N 0 3 314.385 1.800 20 10 DDCDHN Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001139130433 860299026 /nfs/dbraw/zinc/29/90/26/860299026.db2.gz FCEUYXPOVSKFDP-BETUJISGSA-N 0 3 314.385 1.800 20 10 DDCDHN Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001139130433 860299033 /nfs/dbraw/zinc/29/90/33/860299033.db2.gz FCEUYXPOVSKFDP-BETUJISGSA-N 0 3 314.385 1.800 20 10 DDCDHN CN1CCN(c2ccc(CN3CCCC(=O)CC3)cc2)CC1 ZINC001139408782 860389532 /nfs/dbraw/zinc/38/95/32/860389532.db2.gz QUEOSYVYSNDTOE-UHFFFAOYSA-N 0 3 301.434 1.993 20 10 DDCDHN COc1cc(C)cc(CN[C@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC001333718223 866960512 /nfs/dbraw/zinc/96/05/12/866960512.db2.gz HAHCBLXKPTXXCC-YPMHNXCESA-N 0 3 313.419 1.765 20 10 DDCDHN CCN1CC[C@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001204274285 871033503 /nfs/dbraw/zinc/03/35/03/871033503.db2.gz MBSSGRSYKZWYAF-KRWDZBQOSA-N 0 3 304.390 1.932 20 10 DDCDHN CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001204274285 871033523 /nfs/dbraw/zinc/03/35/23/871033523.db2.gz MBSSGRSYKZWYAF-KRWDZBQOSA-N 0 3 304.390 1.932 20 10 DDCDHN NC(=O)[C@@H]1CCC2(C1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001277192783 882929790 /nfs/dbraw/zinc/92/97/90/882929790.db2.gz SYTZCSLIJNBVJW-GFCCVEGCSA-N 0 3 304.390 1.965 20 10 DDCDHN COc1ccc(CN2CC[C@@H]3C[C@@]32C(=O)N2CC=CC2)c(O)c1 ZINC001277456370 884501147 /nfs/dbraw/zinc/50/11/47/884501147.db2.gz DWUSTSSNRCNQSF-KDOFPFPSSA-N 0 3 314.385 1.764 20 10 DDCDHN COC(=O)CN1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001231590317 885752673 /nfs/dbraw/zinc/75/26/73/885752673.db2.gz SWHKTNNERBXEGI-UHFFFAOYSA-N 0 3 314.385 1.836 20 10 DDCDHN COc1cc(CN2CCC3(CNC(=O)O3)CC2)c(O)cc1O ZINC001231637153 885774923 /nfs/dbraw/zinc/77/49/23/885774923.db2.gz GKWKOJXLJBENEI-UHFFFAOYSA-N 0 3 308.334 1.181 20 10 DDCDHN CCOC(=O)CN1CCN(Cc2c(C)cc(C)cc2O)CC1 ZINC001231842996 885901945 /nfs/dbraw/zinc/90/19/45/885901945.db2.gz RNLFQJJLAZMUCT-UHFFFAOYSA-N 0 3 306.406 1.690 20 10 DDCDHN COCC1CN(Cc2ccc(N3CCN(C)CC3)cc2F)C1 ZINC001236932596 889429766 /nfs/dbraw/zinc/42/97/66/889429766.db2.gz SLJJWKKWOMUOFU-UHFFFAOYSA-N 0 3 307.413 1.656 20 10 DDCDHN Cc1cc(F)cc(CN2CC[C@H]3O[C@@H](C(=O)N(C)C)C[C@H]32)c1O ZINC001238060279 890006159 /nfs/dbraw/zinc/00/61/59/890006159.db2.gz GLMXTIVWFBBBJQ-RBSFLKMASA-N 0 3 322.380 1.660 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@](C)(C(=O)OC)C2)c([O-])c1 ZINC001249216704 893873343 /nfs/dbraw/zinc/87/33/43/893873343.db2.gz HJXUXCYPMJWQQZ-KRWDZBQOSA-N 0 3 321.373 1.493 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@](C)(C(=O)OC)C2)c([O-])c1 ZINC001249216704 893873358 /nfs/dbraw/zinc/87/33/58/893873358.db2.gz HJXUXCYPMJWQQZ-KRWDZBQOSA-N 0 3 321.373 1.493 20 10 DDCDHN CCOC(=O)C[C@H](O)CNCc1ccc(N2CCCC2)cc1 ZINC001253806936 896110413 /nfs/dbraw/zinc/11/04/13/896110413.db2.gz PQLIXVVAFDJWKN-INIZCTEOSA-N 0 3 306.406 1.691 20 10 DDCDHN O=C(NCC1CCOCC1)[C@H]1CCCN1Cc1ccccc1O ZINC000374382658 223676497 /nfs/dbraw/zinc/67/64/97/223676497.db2.gz BABTVTNQDBAOCF-MRXNPFEDSA-N 0 3 318.417 1.899 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c([O-])c1 ZINC000273363302 130110690 /nfs/dbraw/zinc/11/06/90/130110690.db2.gz AUVRYYLJSSKBLN-AWEZNQCLSA-N 0 3 319.449 1.904 20 10 DDCDHN CCCN(CCNS(=O)(=O)CC)Cc1ccccc1O ZINC000068819719 406666089 /nfs/dbraw/zinc/66/60/89/406666089.db2.gz DZUNNZXJPKYZNQ-UHFFFAOYSA-N 0 3 300.424 1.544 20 10 DDCDHN CC[C@@H](C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)N(C)C ZINC000151646071 407470985 /nfs/dbraw/zinc/47/09/85/407470985.db2.gz GCKQUNVWDUCTJZ-HNNXBMFYSA-N 0 3 323.412 1.823 20 10 DDCDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000186728513 407759405 /nfs/dbraw/zinc/75/94/05/407759405.db2.gz KKHIAIAJSDBJIF-QAPCUYQASA-N 0 3 319.449 1.901 20 10 DDCDHN CCN(C)c1ccc([C@@H](C)NCCN2C(=O)CNC2=O)cc1 ZINC000134111775 407885438 /nfs/dbraw/zinc/88/54/38/407885438.db2.gz IOQYLSPYAKUNSA-GFCCVEGCSA-N 0 3 304.394 1.345 20 10 DDCDHN CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000138263473 408165534 /nfs/dbraw/zinc/16/55/34/408165534.db2.gz FCAXPHSTEQMXTE-CYBMUJFWSA-N 0 3 320.414 1.669 20 10 DDCDHN CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000138263473 408165537 /nfs/dbraw/zinc/16/55/37/408165537.db2.gz FCAXPHSTEQMXTE-CYBMUJFWSA-N 0 3 320.414 1.669 20 10 DDCDHN C[C@H](N)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000269267011 408241215 /nfs/dbraw/zinc/24/12/15/408241215.db2.gz ZOAVQHPOBOVYGH-SRVKXCTJSA-N 0 3 309.385 1.403 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)c([O-])c1C ZINC000273600676 408259226 /nfs/dbraw/zinc/25/92/26/408259226.db2.gz RWEAEBNPNYPPTE-HNNXBMFYSA-N 0 3 319.449 1.824 20 10 DDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)c1 ZINC000273622729 408268096 /nfs/dbraw/zinc/26/80/96/408268096.db2.gz ZMVIIFMFWKXQEJ-DZGCQCFKSA-N 0 3 305.422 1.691 20 10 DDCDHN CCOc1ccc(O)c(CN(C)[C@H](C)CN2CCOCC2)c1 ZINC000279339480 409194982 /nfs/dbraw/zinc/19/49/82/409194982.db2.gz DXXWPKRAWINKTP-CQSZACIVSA-N 0 3 308.422 1.943 20 10 DDCDHN CCOc1ccc([O-])c(C[N@H+](C)[C@H](C)CN2CCOCC2)c1 ZINC000279339480 409194984 /nfs/dbraw/zinc/19/49/84/409194984.db2.gz DXXWPKRAWINKTP-CQSZACIVSA-N 0 3 308.422 1.943 20 10 DDCDHN CCOc1ccc([O-])c(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1 ZINC000279339480 409194987 /nfs/dbraw/zinc/19/49/87/409194987.db2.gz DXXWPKRAWINKTP-CQSZACIVSA-N 0 3 308.422 1.943 20 10 DDCDHN CCOCc1cc(CNCCN2CCC(O)CC2)ccc1OC ZINC000294948348 409306415 /nfs/dbraw/zinc/30/64/15/409306415.db2.gz VTPDIEKWMYENBS-UHFFFAOYSA-N 0 3 322.449 1.778 20 10 DDCDHN CCN(C)C(=O)[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000295074657 409314419 /nfs/dbraw/zinc/31/44/19/409314419.db2.gz PPEIYCVDCBCCME-HNNXBMFYSA-N 0 3 308.378 1.713 20 10 DDCDHN CCN(C)C(=O)[C@@H](NCc1cc2c(cc1O)OCO2)C(C)C ZINC000295074657 409314421 /nfs/dbraw/zinc/31/44/21/409314421.db2.gz PPEIYCVDCBCCME-HNNXBMFYSA-N 0 3 308.378 1.713 20 10 DDCDHN CCN1CCN(CCC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000296108081 409431694 /nfs/dbraw/zinc/43/16/94/409431694.db2.gz USBIEIVDHPPENO-MRXNPFEDSA-N 0 3 303.450 1.997 20 10 DDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1COC3(CCOCC3)O1)CC2 ZINC000296726442 409634474 /nfs/dbraw/zinc/63/44/74/409634474.db2.gz IUGQIIJMEJUMBH-UONOGXRCSA-N 0 3 305.374 1.891 20 10 DDCDHN CN1CCc2cc(CNC(=O)NC[C@@H]3CCCN3C)ccc21 ZINC000373600537 418443891 /nfs/dbraw/zinc/44/38/91/418443891.db2.gz ZYEMJHKFVXRHMA-HNNXBMFYSA-N 0 3 302.422 1.572 20 10 DDCDHN COC(=O)[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC1(C)C ZINC000364232378 523749537 /nfs/dbraw/zinc/74/95/37/523749537.db2.gz ZEGDAQVLRWJXCG-NSHDSACASA-N 0 3 307.346 1.752 20 10 DDCDHN COC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)CC1(C)C ZINC000364232378 523749546 /nfs/dbraw/zinc/74/95/46/523749546.db2.gz ZEGDAQVLRWJXCG-NSHDSACASA-N 0 3 307.346 1.752 20 10 DDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)CC1(C)C ZINC000364232378 523749550 /nfs/dbraw/zinc/74/95/50/523749550.db2.gz ZEGDAQVLRWJXCG-NSHDSACASA-N 0 3 307.346 1.752 20 10 DDCDHN COC(=O)[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)CC12CCC2 ZINC000365198908 523975156 /nfs/dbraw/zinc/97/51/56/523975156.db2.gz MUBOLKABWQLYIK-GFCCVEGCSA-N 0 3 319.357 1.896 20 10 DDCDHN COC(=O)[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)CC12CCC2 ZINC000365198908 523975158 /nfs/dbraw/zinc/97/51/58/523975158.db2.gz MUBOLKABWQLYIK-GFCCVEGCSA-N 0 3 319.357 1.896 20 10 DDCDHN C[C@@H](NCc1cc(=O)n2nccc2[nH]1)c1ccc(N(C)C)cc1 ZINC000775830082 698042163 /nfs/dbraw/zinc/04/21/63/698042163.db2.gz CMRYAHLYRCXXMP-GFCCVEGCSA-N 0 3 311.389 1.939 20 10 DDCDHN CN1CC[C@@](O)(C[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000705763454 699241869 /nfs/dbraw/zinc/24/18/69/699241869.db2.gz ZXTNGEGWTSFCIM-CYBMUJFWSA-N 0 3 315.211 1.311 20 10 DDCDHN C[N@H+](Cc1ccc(OCC(N)=O)cc1)Cc1ccccc1[O-] ZINC000732203439 699549965 /nfs/dbraw/zinc/54/99/65/699549965.db2.gz UQXLFNCFWYJFQL-UHFFFAOYSA-N 0 3 300.358 1.888 20 10 DDCDHN C[N@@H+](Cc1ccc(OCC(N)=O)cc1)Cc1ccccc1[O-] ZINC000732203439 699549966 /nfs/dbraw/zinc/54/99/66/699549966.db2.gz UQXLFNCFWYJFQL-UHFFFAOYSA-N 0 3 300.358 1.888 20 10 DDCDHN O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc([O-])cs1 ZINC000732288170 699554210 /nfs/dbraw/zinc/55/42/10/699554210.db2.gz NJKICMCANWYEED-UHFFFAOYSA-N 0 3 310.419 1.829 20 10 DDCDHN O=C(NCC1(N2CCCC2)CCOCC1)C1=CC(=O)CS1 ZINC000732288170 699554211 /nfs/dbraw/zinc/55/42/11/699554211.db2.gz NJKICMCANWYEED-UHFFFAOYSA-N 0 3 310.419 1.829 20 10 DDCDHN COC(=O)[C@]12C[N@H+](Cc3c([O-])cccc3OC)C[C@H]1COCC2 ZINC000793345967 699751716 /nfs/dbraw/zinc/75/17/16/699751716.db2.gz LIRAGPFXWMLIQZ-YVEFUNNKSA-N 0 3 321.373 1.412 20 10 DDCDHN COC(=O)[C@]12C[N@@H+](Cc3c([O-])cccc3OC)C[C@H]1COCC2 ZINC000793345967 699751718 /nfs/dbraw/zinc/75/17/18/699751718.db2.gz LIRAGPFXWMLIQZ-YVEFUNNKSA-N 0 3 321.373 1.412 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@]2(C)CO)cc1 ZINC000759899673 700780588 /nfs/dbraw/zinc/78/05/88/700780588.db2.gz AKTPVYOLPVVJGP-SFHVURJKSA-N 0 3 319.449 1.558 20 10 DDCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768461836 701179383 /nfs/dbraw/zinc/17/93/83/701179383.db2.gz FZIHJQSAJBGQOH-SMDDNHRTSA-N 0 3 307.346 1.346 20 10 DDCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768461836 701179385 /nfs/dbraw/zinc/17/93/85/701179385.db2.gz FZIHJQSAJBGQOH-SMDDNHRTSA-N 0 3 307.346 1.346 20 10 DDCDHN O=C1NCCN1CCN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000808735987 701533533 /nfs/dbraw/zinc/53/35/33/701533533.db2.gz FCABHLCSPPBLOD-HNNXBMFYSA-N 0 3 319.405 1.398 20 10 DDCDHN COCCN1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868281330 702038584 /nfs/dbraw/zinc/03/85/84/702038584.db2.gz OTILOQZJXCGJFM-KBPBESRZSA-N 0 3 321.421 1.863 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2ccnn2)c2c1c(F)ccc2[O-] ZINC000840804726 702244630 /nfs/dbraw/zinc/24/46/30/702244630.db2.gz HNAHDLBJOVXHKH-FOGDFJRCSA-N 0 3 306.341 1.322 20 10 DDCDHN C[C@@H]1NCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1C ZINC000841831177 702575455 /nfs/dbraw/zinc/57/54/55/702575455.db2.gz CPXAWKUKTFMSPJ-GJZGRUSLSA-N 0 3 314.433 1.955 20 10 DDCDHN CC[C@@H](C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])C(=O)OC ZINC000879652724 706750144 /nfs/dbraw/zinc/75/01/44/706750144.db2.gz HJJDODSBJBXUSF-BFQNTYOBSA-N 0 3 322.405 1.747 20 10 DDCDHN COC(=O)Cn1cc(CC[NH2+][C@@H](C)c2ccccc2[O-])nn1 ZINC000879650660 706749746 /nfs/dbraw/zinc/74/97/46/706749746.db2.gz MJHDUUVSWXULQW-NSHDSACASA-N 0 3 304.350 1.050 20 10 DDCDHN CCc1cccc(CN[C@H]2CCN(c3cnn(C)c3)C2=O)c1O ZINC000848897290 703599773 /nfs/dbraw/zinc/59/97/73/703599773.db2.gz OGYMHEJYYGYRLH-HNNXBMFYSA-N 0 3 314.389 1.583 20 10 DDCDHN Cc1ccc(O)c(CNCCS(=O)(=O)CC(F)(F)F)c1 ZINC000850364759 703727499 /nfs/dbraw/zinc/72/74/99/703727499.db2.gz RNWMJDBYVKLXAL-UHFFFAOYSA-N 0 3 311.325 1.767 20 10 DDCDHN O=C(NCc1ccccc1O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000852635375 704088873 /nfs/dbraw/zinc/08/88/73/704088873.db2.gz GLSFOLIHVCZQEN-OAHLLOKOSA-N 0 3 319.405 1.445 20 10 DDCDHN CNC(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000821390334 704402407 /nfs/dbraw/zinc/40/24/07/704402407.db2.gz ABSHKYLAMVATNE-HNNXBMFYSA-N 0 3 306.406 1.899 20 10 DDCDHN CNC(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000821390334 704402408 /nfs/dbraw/zinc/40/24/08/704402408.db2.gz ABSHKYLAMVATNE-HNNXBMFYSA-N 0 3 306.406 1.899 20 10 DDCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000858305679 704692405 /nfs/dbraw/zinc/69/24/05/704692405.db2.gz AZIADQYPNDPHSY-QGZVFWFLSA-N 0 3 313.401 1.778 20 10 DDCDHN CC1CCN(c2ccc(CNc3nc(N)nc(N)n3)cc2)CC1 ZINC000858402751 704706499 /nfs/dbraw/zinc/70/64/99/704706499.db2.gz KANUXMGNDHKXSW-UHFFFAOYSA-N 0 3 313.409 1.884 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)NCc1ccc(N(C)C)c(F)c1 ZINC000824677910 705504315 /nfs/dbraw/zinc/50/43/15/705504315.db2.gz LABVTLIAHYQXRQ-GFCCVEGCSA-N 0 3 317.430 1.309 20 10 DDCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](N)CN(C)C)cc1 ZINC000876712571 705833320 /nfs/dbraw/zinc/83/33/20/705833320.db2.gz AVMCSZGNHARYLG-INIZCTEOSA-N 0 3 306.454 1.380 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)c([O-])c1 ZINC000877158905 706002230 /nfs/dbraw/zinc/00/22/30/706002230.db2.gz OIYOKAJITBXECC-TZMCWYRMSA-N 0 3 312.435 1.508 20 10 DDCDHN COC1CCN(c2ccc(CN3C[C@H](O)C[C@H](O)C3)cc2)CC1 ZINC000827958729 706093955 /nfs/dbraw/zinc/09/39/55/706093955.db2.gz ZXUIMAUYUZMBHF-CALCHBBNSA-N 0 3 320.433 1.229 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000877521231 706131183 /nfs/dbraw/zinc/13/11/83/706131183.db2.gz SZOMETAKNKIQCQ-UHFFFAOYSA-N 0 3 303.362 1.311 20 10 DDCDHN Cc1ccc(CN2CCN(CCc3cnccn3)CC2)c(O)c1 ZINC000877703467 706182176 /nfs/dbraw/zinc/18/21/76/706182176.db2.gz KYCGSTGSLFEKSC-UHFFFAOYSA-N 0 3 312.417 1.851 20 10 DDCDHN Cn1nnnc1CCN(Cc1ccco1)Cc1ccccc1O ZINC000878241372 706335461 /nfs/dbraw/zinc/33/54/61/706335461.db2.gz UAHLHWCXQCIXAT-UHFFFAOYSA-N 0 3 313.361 1.754 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H]2COCC2(C)C)cc1 ZINC000832164957 706857967 /nfs/dbraw/zinc/85/79/67/706857967.db2.gz FXEJJZQRCKMEQU-MRXNPFEDSA-N 0 3 319.449 1.726 20 10 DDCDHN CN(C)S(=O)(=O)C1(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000886737359 708829317 /nfs/dbraw/zinc/82/93/17/708829317.db2.gz YXNOPJIDBAWCDA-LBPRGKRZSA-N 0 3 310.419 1.393 20 10 DDCDHN COCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891405046 710188331 /nfs/dbraw/zinc/18/83/31/710188331.db2.gz BANFMJWSTZNBNA-OAHLLOKOSA-N 0 3 308.426 1.301 20 10 DDCDHN COc1ccc(CN(C)CCNC(=O)N(C)C)c(O)c1OC ZINC000893314541 710596170 /nfs/dbraw/zinc/59/61/70/710596170.db2.gz SFNDTCVIYGPIPN-UHFFFAOYSA-N 0 3 311.382 1.112 20 10 DDCDHN C[C@H]1C[C@H]([NH2+]CCCc2nnnn2C)c2c1c(F)ccc2[O-] ZINC000903348891 711100095 /nfs/dbraw/zinc/10/00/95/711100095.db2.gz NPBJHSCZOLNFHE-ONGXEEELSA-N 0 3 305.357 1.826 20 10 DDCDHN CN1CCN(c2ccc(CN3CCc4ncncc4C3)cc2)CC1 ZINC000895723051 711588088 /nfs/dbraw/zinc/58/80/88/711588088.db2.gz PMAURFRIPUFSQA-UHFFFAOYSA-N 0 3 323.444 1.787 20 10 DDCDHN CO[C@H](C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895746635 711594175 /nfs/dbraw/zinc/59/41/75/711594175.db2.gz OIXGUVWSBXGGIX-CJNGLKHVSA-N 0 3 322.453 1.689 20 10 DDCDHN COc1ccc(CN[C@H]2C(=O)NCC23CCOCC3)cc1C ZINC000895772983 711602989 /nfs/dbraw/zinc/60/29/89/711602989.db2.gz NQVSHCURWSKTJR-HNNXBMFYSA-N 0 3 304.390 1.388 20 10 DDCDHN C[C@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)C[N@@H+]1C1CC1 ZINC000921384059 713751612 /nfs/dbraw/zinc/75/16/12/713751612.db2.gz IXJGLQXNGCBCGJ-WDEREUQCSA-N 0 3 307.369 1.956 20 10 DDCDHN C[C@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)C[N@H+]1C1CC1 ZINC000921384059 713751614 /nfs/dbraw/zinc/75/16/14/713751614.db2.gz IXJGLQXNGCBCGJ-WDEREUQCSA-N 0 3 307.369 1.956 20 10 DDCDHN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924715307 714647750 /nfs/dbraw/zinc/64/77/50/714647750.db2.gz FOYOYZLVJHZFMN-SMDDNHRTSA-N 0 3 304.394 1.296 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001148218786 773399241 /nfs/dbraw/zinc/39/92/41/773399241.db2.gz LFXAEAXYMXUDGW-LBPRGKRZSA-N 0 3 306.362 1.035 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CN(C)C(=O)O1 ZINC001117742198 780892399 /nfs/dbraw/zinc/89/23/99/780892399.db2.gz PFGQCTPILNVSJQ-INIZCTEOSA-N 0 3 319.405 1.406 20 10 DDCDHN CN1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272988197 847749566 /nfs/dbraw/zinc/74/95/66/847749566.db2.gz NZXNFTIGLKBFNY-INIZCTEOSA-N 0 3 304.346 1.069 20 10 DDCDHN CN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272988197 847749572 /nfs/dbraw/zinc/74/95/72/847749572.db2.gz NZXNFTIGLKBFNY-INIZCTEOSA-N 0 3 304.346 1.069 20 10 DDCDHN COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001275913883 853936556 /nfs/dbraw/zinc/93/65/56/853936556.db2.gz SOOFSTJXHQIGKJ-HOTGVXAUSA-N 0 3 324.396 1.800 20 10 DDCDHN COCCOCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001275913883 853936560 /nfs/dbraw/zinc/93/65/60/853936560.db2.gz SOOFSTJXHQIGKJ-HOTGVXAUSA-N 0 3 324.396 1.800 20 10 DDCDHN COc1cc(CN2CCC[C@@]3(CN(C)CCO3)C2)c(O)cc1O ZINC001276091567 854750556 /nfs/dbraw/zinc/75/05/56/854750556.db2.gz SNTOBZZUXSNSKF-QGZVFWFLSA-N 0 3 322.405 1.403 20 10 DDCDHN CCN(C)C(=O)CO[C@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC001140056462 860566604 /nfs/dbraw/zinc/56/66/04/860566604.db2.gz XYHOTVLWPXGAAQ-HNNXBMFYSA-N 0 3 324.396 1.991 20 10 DDCDHN COC(CN(C)Cc1ccc(N2CCC(O)CC2)cc1)OC ZINC001140286120 860612794 /nfs/dbraw/zinc/61/27/94/860612794.db2.gz YIBFAVMITNGCLO-UHFFFAOYSA-N 0 3 308.422 1.698 20 10 DDCDHN CN(C)C1(C)CN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140663894 860671069 /nfs/dbraw/zinc/67/10/69/860671069.db2.gz RTFBFISUHKSRCB-UHFFFAOYSA-N 0 3 307.413 1.798 20 10 DDCDHN COc1cc([O-])c(C[NH+]2CCC(n3cnnc3)CC2)c(OC)c1 ZINC001141028860 860766654 /nfs/dbraw/zinc/76/66/54/860766654.db2.gz COOKYXPAOSAKGC-UHFFFAOYSA-N 0 3 318.377 1.838 20 10 DDCDHN COc1ccc(CNC2(CNC(=O)CC(C)(C)O)CC2)cc1C ZINC001277050267 881902483 /nfs/dbraw/zinc/90/24/83/881902483.db2.gz UMBNYLQGNKDUGH-UHFFFAOYSA-N 0 3 320.433 1.903 20 10 DDCDHN CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001320461559 866754975 /nfs/dbraw/zinc/75/49/75/866754975.db2.gz QFSQSDHMBCDLIR-IUODEOHRSA-N 0 3 321.373 1.736 20 10 DDCDHN CCOC(=O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001320461559 866754986 /nfs/dbraw/zinc/75/49/86/866754986.db2.gz QFSQSDHMBCDLIR-IUODEOHRSA-N 0 3 321.373 1.736 20 10 DDCDHN COCC[N@H+](Cc1ccccc1[O-])C1CCN(C(C)=O)CC1 ZINC001203555803 870638838 /nfs/dbraw/zinc/63/88/38/870638838.db2.gz GHYSKUJNFFLGQT-UHFFFAOYSA-N 0 3 306.406 1.852 20 10 DDCDHN COCC[N@@H+](Cc1ccccc1[O-])C1CCN(C(C)=O)CC1 ZINC001203555803 870638851 /nfs/dbraw/zinc/63/88/51/870638851.db2.gz GHYSKUJNFFLGQT-UHFFFAOYSA-N 0 3 306.406 1.852 20 10 DDCDHN COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC001203563276 870644181 /nfs/dbraw/zinc/64/41/81/870644181.db2.gz XYAAVLYZESGHDQ-CYBMUJFWSA-N 0 3 301.346 1.844 20 10 DDCDHN COc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC001203563276 870644194 /nfs/dbraw/zinc/64/41/94/870644194.db2.gz XYAAVLYZESGHDQ-CYBMUJFWSA-N 0 3 301.346 1.844 20 10 DDCDHN C[C@@]1(CO)CN(Cc2ccc(N3CCCC3)cc2)CC[C@H]1O ZINC001204323073 871053018 /nfs/dbraw/zinc/05/30/18/871053018.db2.gz DDSPFZUCAVZYFR-MSOLQXFVSA-N 0 3 304.434 1.852 20 10 DDCDHN COCCN(C)C(=O)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2 ZINC001277446598 884342180 /nfs/dbraw/zinc/34/21/80/884342180.db2.gz RKBFHNRGFMXUKJ-UHFFFAOYSA-N 0 3 304.390 1.509 20 10 DDCDHN COCCN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001277567697 885876580 /nfs/dbraw/zinc/87/65/80/885876580.db2.gz ORTQLHIWQAFXRQ-CRAIPNDOSA-N 0 3 318.417 1.627 20 10 DDCDHN COCCN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001277567697 885876589 /nfs/dbraw/zinc/87/65/89/885876589.db2.gz ORTQLHIWQAFXRQ-CRAIPNDOSA-N 0 3 318.417 1.627 20 10 DDCDHN CN(C)c1ccc(CN2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC001232834777 886619974 /nfs/dbraw/zinc/61/99/74/886619974.db2.gz MGPOJIODFALCBN-MRXNPFEDSA-N 0 3 305.422 1.365 20 10 DDCDHN CC(C)c1nc(CCN(C)Cc2cc(O)c(O)cc2O)no1 ZINC001233483255 887016086 /nfs/dbraw/zinc/01/60/86/887016086.db2.gz SHMBZMKPFWLJMQ-UHFFFAOYSA-N 0 3 307.350 1.984 20 10 DDCDHN Cc1nnc([C@H]2CCCN(Cc3cc(O)c(O)cc3O)C2)o1 ZINC001233486744 887021294 /nfs/dbraw/zinc/02/12/94/887021294.db2.gz ZVPONQFTZKTIGX-JTQLQIEISA-N 0 3 305.334 1.874 20 10 DDCDHN CCN1CCN(c2ccc(O[C@H]3CCCOC3=O)cc2)CC1 ZINC001234657238 888172580 /nfs/dbraw/zinc/17/25/80/888172580.db2.gz CTSGJYOVRZPFID-INIZCTEOSA-N 0 3 304.390 1.913 20 10 DDCDHN [O-]c1ccc(Cl)c(Cl)c1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234992612 888315994 /nfs/dbraw/zinc/31/59/94/888315994.db2.gz SFODEZPQYHNPRQ-CQSZACIVSA-N 0 3 316.232 1.836 20 10 DDCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235059588 888381557 /nfs/dbraw/zinc/38/15/57/888381557.db2.gz DNMSWJQERIMKQZ-AWEZNQCLSA-N 0 3 315.339 1.548 20 10 DDCDHN COC(=O)[C@@H]1CNCCN1Cc1ccc2ccccc2c1O ZINC001236056346 889083516 /nfs/dbraw/zinc/08/35/16/889083516.db2.gz CJTBPCAKOGEZKY-HNNXBMFYSA-N 0 3 300.358 1.492 20 10 DDCDHN CCOc1ccc(CN2CC(N3CCN(C)CC3)C2)c(O)c1 ZINC001237047449 889481198 /nfs/dbraw/zinc/48/11/98/889481198.db2.gz XVDJQRYXZRBRTQ-UHFFFAOYSA-N 0 3 305.422 1.223 20 10 DDCDHN C[C@@H]1CCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237206963 889545115 /nfs/dbraw/zinc/54/51/15/889545115.db2.gz NRDAQGUAEKXRKW-CQSZACIVSA-N 0 3 308.447 1.763 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC001249171199 893848851 /nfs/dbraw/zinc/84/88/51/893848851.db2.gz ALDZAQNCHVMBHN-DOMZBBRYSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC001249171199 893848869 /nfs/dbraw/zinc/84/88/69/893848869.db2.gz ALDZAQNCHVMBHN-DOMZBBRYSA-N 0 3 307.390 1.701 20 10 DDCDHN Oc1ccc(CNC[C@H](O)COc2cccc(F)c2)cc1O ZINC001250827434 894445644 /nfs/dbraw/zinc/44/56/44/894445644.db2.gz QXYLRHUFNOKQTB-ZDUSSCGKSA-N 0 3 307.321 1.766 20 10 DDCDHN CNCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237263632 283500213 /nfs/dbraw/zinc/50/02/13/283500213.db2.gz SGGULTBDDPHWKV-LLVKDONJSA-N 0 3 313.348 1.592 20 10 DDCDHN CCN(CCC[NH2+][C@H](C)c1cc(F)ccc1[O-])S(C)(=O)=O ZINC000094617760 193385237 /nfs/dbraw/zinc/38/52/37/193385237.db2.gz FWUOWPMCPFVQEZ-LLVKDONJSA-N 0 3 318.414 1.854 20 10 DDCDHN CCOc1ccc(O)c(CN2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC000372681979 223656130 /nfs/dbraw/zinc/65/61/30/223656130.db2.gz CCHDAAJOEBCNCW-MRXNPFEDSA-N 0 3 306.362 1.865 20 10 DDCDHN COc1cccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000105904992 221502087 /nfs/dbraw/zinc/50/20/87/221502087.db2.gz NTRFKISRNDSHDH-AWEZNQCLSA-N 0 3 314.389 1.949 20 10 DDCDHN CC(C)[C@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000165414083 408811179 /nfs/dbraw/zinc/81/11/79/408811179.db2.gz BAXOPVCHFLXSNF-HNNXBMFYSA-N 0 3 309.385 1.262 20 10 DDCDHN Oc1cc(OCc2ccccc2)ccc1CN1C[C@@H](O)[C@H](O)C1 ZINC000278340053 409078926 /nfs/dbraw/zinc/07/89/26/409078926.db2.gz HNVCFQYORWZHEU-QZTJIDSGSA-N 0 3 315.369 1.509 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1 ZINC000289702481 409284369 /nfs/dbraw/zinc/28/43/69/409284369.db2.gz OPFUVNOLJUIYLZ-GUYCJALGSA-N 0 3 317.389 1.653 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1 ZINC000289702481 409284370 /nfs/dbraw/zinc/28/43/70/409284370.db2.gz OPFUVNOLJUIYLZ-GUYCJALGSA-N 0 3 317.389 1.653 20 10 DDCDHN [O-]c1ccccc1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000305749581 409765034 /nfs/dbraw/zinc/76/50/34/409765034.db2.gz XOPYTIYZOVWQNH-UHFFFAOYSA-N 0 3 301.390 1.961 20 10 DDCDHN CN(CCNC(=O)NCc1ccc2c(c1)CCN2C)C1CC1 ZINC000375307201 418626633 /nfs/dbraw/zinc/62/66/33/418626633.db2.gz FJGPHHXNUNJOMA-UHFFFAOYSA-N 0 3 302.422 1.572 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CCN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000377695881 418712814 /nfs/dbraw/zinc/71/28/14/418712814.db2.gz MYEQDMDUMRSQPA-UHFFFAOYSA-N 0 3 307.350 1.589 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CCN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000377695881 418712817 /nfs/dbraw/zinc/71/28/17/418712817.db2.gz MYEQDMDUMRSQPA-UHFFFAOYSA-N 0 3 307.350 1.589 20 10 DDCDHN CCOc1cccc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2)c1[O-] ZINC000377797520 418714815 /nfs/dbraw/zinc/71/48/15/418714815.db2.gz XAUICLLCCFZBDP-CQSZACIVSA-N 0 3 316.405 1.893 20 10 DDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1 ZINC000378151637 418719204 /nfs/dbraw/zinc/71/92/04/418719204.db2.gz OFNZBPUWODBMAV-SFHVURJKSA-N 0 3 320.433 1.672 20 10 DDCDHN COc1cc(O)c(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1OC ZINC000362241204 418751514 /nfs/dbraw/zinc/75/15/14/418751514.db2.gz XDTPSZRSLDXGKT-CYZMBNFOSA-N 0 3 320.389 1.508 20 10 DDCDHN CCN1C(=O)[C@H]2CN(Cc3cccc(C)c3O)CCN2C1=O ZINC000378443790 418723670 /nfs/dbraw/zinc/72/36/70/418723670.db2.gz UHIKTTIRKIJCDU-CYBMUJFWSA-N 0 3 303.362 1.169 20 10 DDCDHN COC[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000265817126 522473075 /nfs/dbraw/zinc/47/30/75/522473075.db2.gz RCPMETDXUURDJS-OAHLLOKOSA-N 0 3 305.422 1.337 20 10 DDCDHN CCn1nccc1N1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1=O ZINC000191642416 523733467 /nfs/dbraw/zinc/73/34/67/523733467.db2.gz XFUKNWGNKVJESG-AWEZNQCLSA-N 0 3 314.389 1.894 20 10 DDCDHN NCC(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366324280 527160814 /nfs/dbraw/zinc/16/08/14/527160814.db2.gz NWDWYNXFUIULBK-JTQLQIEISA-N 0 3 317.311 1.486 20 10 DDCDHN Nc1ccc(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](N)C2)cc1 ZINC000364209077 527476811 /nfs/dbraw/zinc/47/68/11/527476811.db2.gz NGXDJCAQEPWZEZ-DLBZAZTESA-N 0 3 313.376 1.904 20 10 DDCDHN CC(=O)N(C)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000052085402 696251848 /nfs/dbraw/zinc/25/18/48/696251848.db2.gz MKLQYBWXBXNHKC-UHFFFAOYSA-N 0 3 306.362 1.564 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCO[C@@H](C)C2)c1 ZINC000182442356 697475160 /nfs/dbraw/zinc/47/51/60/697475160.db2.gz WZMHAMAPLKMPRE-NWDGAFQWSA-N 0 3 308.378 1.299 20 10 DDCDHN COC(=O)[C@@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775648089 698019036 /nfs/dbraw/zinc/01/90/36/698019036.db2.gz QLWNZCCWVDWUNY-KRWDZBQOSA-N 0 3 317.433 1.576 20 10 DDCDHN CC(C)[C@@H](CNC(=O)Cc1ccc(N)cc1)N1CCN(C)CC1 ZINC000320373726 698719629 /nfs/dbraw/zinc/71/96/29/698719629.db2.gz PHAVIMAXHTVKRV-QGZVFWFLSA-N 0 3 318.465 1.200 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2COCCN2C)c1[O-] ZINC000704198362 699238016 /nfs/dbraw/zinc/23/80/16/699238016.db2.gz UVFYSGDCTJYGAP-LBPRGKRZSA-N 0 3 300.786 1.474 20 10 DDCDHN CCC[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000727830846 699427696 /nfs/dbraw/zinc/42/76/96/699427696.db2.gz QSANDWNQLCANQP-UHFFFAOYSA-N 0 3 319.405 1.935 20 10 DDCDHN CCC[N@@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000727830846 699427697 /nfs/dbraw/zinc/42/76/97/699427697.db2.gz QSANDWNQLCANQP-UHFFFAOYSA-N 0 3 319.405 1.935 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c([O-])c1 ZINC000742391115 699876509 /nfs/dbraw/zinc/87/65/09/699876509.db2.gz DOOKYBNGJUBGQM-LNSITVRQSA-N 0 3 304.390 1.890 20 10 DDCDHN CC[C@@]1(NCC(=O)NCc2ccc(N(C)C)cc2)CCOC1 ZINC000839577135 701742721 /nfs/dbraw/zinc/74/27/21/701742721.db2.gz AVSHXRAXJOJCMS-QGZVFWFLSA-N 0 3 305.422 1.528 20 10 DDCDHN Cc1cnn([C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)c1 ZINC000811802134 702063410 /nfs/dbraw/zinc/06/34/10/702063410.db2.gz XKYUMJUCMRUGIB-XJKSGUPXSA-N 0 3 315.373 1.770 20 10 DDCDHN Cc1cnn([C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)c1 ZINC000811802134 702063416 /nfs/dbraw/zinc/06/34/16/702063416.db2.gz XKYUMJUCMRUGIB-XJKSGUPXSA-N 0 3 315.373 1.770 20 10 DDCDHN COc1c([O-])c(CN(C)C[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000817417584 702375463 /nfs/dbraw/zinc/37/54/63/702375463.db2.gz PXQCOLQJEJGKFY-GFCCVEGCSA-N 0 3 309.366 1.835 20 10 DDCDHN COc1c([O-])c(CN(C)C[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000817417584 702375470 /nfs/dbraw/zinc/37/54/70/702375470.db2.gz PXQCOLQJEJGKFY-GFCCVEGCSA-N 0 3 309.366 1.835 20 10 DDCDHN C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@H](C)CN1 ZINC000841759756 702558261 /nfs/dbraw/zinc/55/82/61/702558261.db2.gz PODWVJQWXQAHTD-ZIAGYGMSSA-N 0 3 316.449 1.961 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2=O)c2c1c(F)ccc2[O-] ZINC000818362067 702640177 /nfs/dbraw/zinc/64/01/77/702640177.db2.gz PBKYLCHHYNIYCG-MIMYLULJSA-N 0 3 306.337 1.817 20 10 DDCDHN CN(CCN1CC[NH2+]CC1)Cc1c([O-])ccc(Cl)c1F ZINC000843052978 702809254 /nfs/dbraw/zinc/80/92/54/702809254.db2.gz RVGWWSFJTQUSKM-UHFFFAOYSA-N 0 3 301.793 1.522 20 10 DDCDHN O=C1CNCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000843066569 702812450 /nfs/dbraw/zinc/81/24/50/702812450.db2.gz YGIZGKJAKSKRGK-AWEZNQCLSA-N 0 3 323.824 1.442 20 10 DDCDHN O=C1CNCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000843066569 702812452 /nfs/dbraw/zinc/81/24/52/702812452.db2.gz YGIZGKJAKSKRGK-AWEZNQCLSA-N 0 3 323.824 1.442 20 10 DDCDHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000843428595 702879814 /nfs/dbraw/zinc/87/98/14/702879814.db2.gz KUSUZIHCDITVBL-ZDUSSCGKSA-N 0 3 322.428 1.444 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)COC2(C)CNC2)cc1F ZINC000844183249 702985892 /nfs/dbraw/zinc/98/58/92/702985892.db2.gz UTQXQXBHCZXRFK-UHFFFAOYSA-N 0 3 323.412 1.667 20 10 DDCDHN COc1ccc(N2CCN(CC[C@H]3CCNC3=O)CC2)cc1F ZINC000846813461 703336481 /nfs/dbraw/zinc/33/64/81/703336481.db2.gz FRNIRQPPKMAHSY-CYBMUJFWSA-N 0 3 321.396 1.483 20 10 DDCDHN CCc1cccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1O ZINC000848885725 703598401 /nfs/dbraw/zinc/59/84/01/703598401.db2.gz MXUUGAUUIJGDCR-DLBZAZTESA-N 0 3 304.434 1.986 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCc3c(nnn3C)C2)c1[O-] ZINC000848925660 703604353 /nfs/dbraw/zinc/60/43/53/703604353.db2.gz BBDUOIMZCLPTSI-NSHDSACASA-N 0 3 322.796 1.830 20 10 DDCDHN CCOc1cccc(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC000850368129 703727753 /nfs/dbraw/zinc/72/77/53/703727753.db2.gz IZUPNVRDUXDIGV-WCQYABFASA-N 0 3 313.419 1.846 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H]3COC[C@H]3C2)cc1 ZINC000852668034 704096861 /nfs/dbraw/zinc/09/68/61/704096861.db2.gz UNQUWXGDHBFULU-JKSUJKDBSA-N 0 3 317.433 1.337 20 10 DDCDHN COc1ccc(N2CCN(C[C@@]3(OC)CCOC3)CC2)cc1F ZINC000876806188 705885431 /nfs/dbraw/zinc/88/54/31/705885431.db2.gz MIMLLOHVYIOMEM-KRWDZBQOSA-N 0 3 324.396 1.762 20 10 DDCDHN N[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCC1 ZINC000827321620 705974992 /nfs/dbraw/zinc/97/49/92/705974992.db2.gz ZVRKWZHGRYUOIU-MRXNPFEDSA-N 0 3 319.474 1.983 20 10 DDCDHN COc1cccc(CN2CC[C@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827544838 706023387 /nfs/dbraw/zinc/02/33/87/706023387.db2.gz LRAGKOKJDPUYIH-ZDUSSCGKSA-N 0 3 307.394 1.589 20 10 DDCDHN COc1cc(O)c(CN[C@@H](C)[C@@H](O)C(F)(F)F)cc1OC ZINC000877693253 706180807 /nfs/dbraw/zinc/18/08/07/706180807.db2.gz DGXCXNZGMLCBSM-JVXZTZIISA-N 0 3 309.284 1.811 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC(C(=O)NOC)CC2)c([O-])c1 ZINC000877786615 706212011 /nfs/dbraw/zinc/21/20/11/706212011.db2.gz QAGJDTZGLQCWMF-UHFFFAOYSA-N 0 3 308.378 1.681 20 10 DDCDHN CN(C)c1ccc(Cn2cc([C@H](N)C3CCOCC3)nn2)cc1 ZINC000881272286 707176011 /nfs/dbraw/zinc/17/60/11/707176011.db2.gz RBPSYRNPAXOJJT-QGZVFWFLSA-N 0 3 315.421 1.819 20 10 DDCDHN CCN(C)c1ccc([C@@H](C)NC[C@H](O)CS(C)(=O)=O)cc1 ZINC000927032142 712933653 /nfs/dbraw/zinc/93/36/53/712933653.db2.gz PUZBZBDXORNXTD-DOMZBBRYSA-N 0 3 314.451 1.199 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)COCC2CC2)N(C)C)cc1 ZINC000891251660 710141863 /nfs/dbraw/zinc/14/18/63/710141863.db2.gz DGHWJCPXRLKKQN-QGZVFWFLSA-N 0 3 319.449 1.898 20 10 DDCDHN COCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891405045 710187969 /nfs/dbraw/zinc/18/79/69/710187969.db2.gz BANFMJWSTZNBNA-HNNXBMFYSA-N 0 3 308.426 1.301 20 10 DDCDHN Nc1ccc(CCNC(=O)c2cccc3c2OCCNC3)cc1 ZINC000911783203 710985280 /nfs/dbraw/zinc/98/52/80/710985280.db2.gz QVDSSJGFALFDPE-UHFFFAOYSA-N 0 3 311.385 1.723 20 10 DDCDHN COC(=O)N1CC(C)(NCc2cc(OC)c(OC)cc2O)C1 ZINC000894541816 711172535 /nfs/dbraw/zinc/17/25/35/711172535.db2.gz DUEOVKDHOAMBSS-UHFFFAOYSA-N 0 3 310.350 1.340 20 10 DDCDHN COC(=O)c1c(CN[C@H]2C[C@@H](CO)C2)c2cc(F)ccc2n1C ZINC000895417404 711507619 /nfs/dbraw/zinc/50/76/19/711507619.db2.gz ABZKRBBSXVYYQG-KLPPZKSPSA-N 0 3 320.364 1.965 20 10 DDCDHN COCCN1CC[C@@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000919634460 713623683 /nfs/dbraw/zinc/62/36/83/713623683.db2.gz JDTDZUOKURZKSQ-LLVKDONJSA-N 0 3 311.357 1.051 20 10 DDCDHN O=S(=O)(CCC[NH+]1CCCC1)NCc1c([O-])cccc1F ZINC000921451592 713774962 /nfs/dbraw/zinc/77/49/62/713774962.db2.gz SKCHFWXGEXDKGH-UHFFFAOYSA-N 0 3 316.398 1.437 20 10 DDCDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c([O-])c1 ZINC001203635368 744361169 /nfs/dbraw/zinc/36/11/69/744361169.db2.gz RHSFQUUHBWDXSI-AWEZNQCLSA-N 0 3 319.336 1.983 20 10 DDCDHN COc1ccc(C[N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c([O-])c1 ZINC001203635368 744361173 /nfs/dbraw/zinc/36/11/73/744361173.db2.gz RHSFQUUHBWDXSI-AWEZNQCLSA-N 0 3 319.336 1.983 20 10 DDCDHN CC[C@H](CO)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001119815949 781627510 /nfs/dbraw/zinc/62/75/10/781627510.db2.gz FEABCSWCGGVHTP-CYBMUJFWSA-N 0 3 324.421 1.605 20 10 DDCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc[nH]1 ZINC001275267415 852940429 /nfs/dbraw/zinc/94/04/29/852940429.db2.gz NRLHGUGKGZLHFK-CALCHBBNSA-N 0 3 313.401 1.806 20 10 DDCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc[nH]1 ZINC001275267415 852940433 /nfs/dbraw/zinc/94/04/33/852940433.db2.gz NRLHGUGKGZLHFK-CALCHBBNSA-N 0 3 313.401 1.806 20 10 DDCDHN COc1cc([O-])c(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c(OC)c1 ZINC001141026085 860765400 /nfs/dbraw/zinc/76/54/00/860765400.db2.gz BXIIYDBZOWQDTH-LBPRGKRZSA-N 0 3 323.389 1.525 20 10 DDCDHN CNC(=O)C1(NCc2ccc(N3CCCC3)cc2)CCOCC1 ZINC001331511470 865126732 /nfs/dbraw/zinc/12/67/32/865126732.db2.gz CPMPHFGZUCWMOT-UHFFFAOYSA-N 0 3 317.433 1.672 20 10 DDCDHN CC[C@@H](CO)NCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001331550924 865151154 /nfs/dbraw/zinc/15/11/54/865151154.db2.gz WTGJNZQDSGLKEL-NSHDSACASA-N 0 3 308.353 1.965 20 10 DDCDHN CN(C)C1=NOC2(C1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204273664 871033084 /nfs/dbraw/zinc/03/30/84/871033084.db2.gz DTFKDERHXPUDKO-UHFFFAOYSA-N 0 3 305.378 1.728 20 10 DDCDHN COc1cc(CN2CCN(C3CCOCC3)CC2)cc(O)c1O ZINC001204345743 871066341 /nfs/dbraw/zinc/06/63/41/871066341.db2.gz WIWXYPGZVIBFBM-UHFFFAOYSA-N 0 3 322.405 1.403 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC001344820724 873133380 /nfs/dbraw/zinc/13/33/80/873133380.db2.gz CBCOAOFZOSTGKX-SECBINFHSA-N 0 3 304.325 1.261 20 10 DDCDHN CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(O)c(O)cc1O)C2 ZINC001233484209 887014058 /nfs/dbraw/zinc/01/40/58/887014058.db2.gz BIWVTFUKQCUQHD-SUMWQHHRSA-N 0 3 323.389 1.963 20 10 DDCDHN COc1cc([O-])c(CN2CCN[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235062530 888384805 /nfs/dbraw/zinc/38/48/05/888384805.db2.gz PSQXBYRLMQZYJT-HNNXBMFYSA-N 0 3 311.813 1.192 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000296627428 222826455 /nfs/dbraw/zinc/82/64/55/222826455.db2.gz XFUBTVVZQQXHCE-STQMWFEESA-N 0 3 314.451 1.987 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CC(C)C)cc2=O ZINC000065961435 352971636 /nfs/dbraw/zinc/97/16/36/352971636.db2.gz ZLTLLMYCDXMAOH-UHFFFAOYSA-N 0 3 306.366 1.699 20 10 DDCDHN C[C@H](NC[C@@]1(O)CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090850262 353799327 /nfs/dbraw/zinc/79/93/27/353799327.db2.gz VOBNQXIVYFAEQN-GUYCJALGSA-N 0 3 324.396 1.464 20 10 DDCDHN CCCOc1ccc(C[N@H+](C)CCN2CCOCC2)c([O-])c1 ZINC000092974888 193190740 /nfs/dbraw/zinc/19/07/40/193190740.db2.gz CRAAUHAGXINLOA-UHFFFAOYSA-N 0 3 308.422 1.945 20 10 DDCDHN CCCOc1ccc(C[N@@H+](C)CCN2CCOCC2)c([O-])c1 ZINC000092974888 193190741 /nfs/dbraw/zinc/19/07/41/193190741.db2.gz CRAAUHAGXINLOA-UHFFFAOYSA-N 0 3 308.422 1.945 20 10 DDCDHN CCN1CCN([C@H]2CC[N@H+](Cc3cc(C)ccc3[O-])C2)CC1 ZINC000093133251 193205486 /nfs/dbraw/zinc/20/54/86/193205486.db2.gz JWSDOKUBEGKWSL-KRWDZBQOSA-N 0 3 303.450 1.912 20 10 DDCDHN CCN1CCN([C@H]2CC[N@@H+](Cc3cc(C)ccc3[O-])C2)CC1 ZINC000093133251 193205488 /nfs/dbraw/zinc/20/54/88/193205488.db2.gz JWSDOKUBEGKWSL-KRWDZBQOSA-N 0 3 303.450 1.912 20 10 DDCDHN CCN(CCC[NH2+][C@@H](C)c1cc(F)ccc1[O-])S(C)(=O)=O ZINC000094617759 193385130 /nfs/dbraw/zinc/38/51/30/193385130.db2.gz FWUOWPMCPFVQEZ-NSHDSACASA-N 0 3 318.414 1.854 20 10 DDCDHN COC(=O)c1cn(CC[NH2+]Cc2cc(Cl)cc(C)c2[O-])nn1 ZINC000285096475 131137850 /nfs/dbraw/zinc/13/78/50/131137850.db2.gz MXGHUEDFOLTFOB-UHFFFAOYSA-N 0 3 324.768 1.522 20 10 DDCDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)CN1CCN(C)CC1 ZINC000297540326 132021668 /nfs/dbraw/zinc/02/16/68/132021668.db2.gz FANFBFHZJCCQBE-HOCLYGCPSA-N 0 3 303.450 1.853 20 10 DDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCOCCS(C)(=O)=O)c1 ZINC000186077563 407569020 /nfs/dbraw/zinc/56/90/20/407569020.db2.gz PDFHHGTVIKEVHG-GFCCVEGCSA-N 0 3 301.408 1.412 20 10 DDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000093665213 407200118 /nfs/dbraw/zinc/20/01/18/407200118.db2.gz BRMFHINWGIUDOS-HNNXBMFYSA-N 0 3 320.433 1.945 20 10 DDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000093665213 407200119 /nfs/dbraw/zinc/20/01/19/407200119.db2.gz BRMFHINWGIUDOS-HNNXBMFYSA-N 0 3 320.433 1.945 20 10 DDCDHN CCOC[C@@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000113499086 407508904 /nfs/dbraw/zinc/50/89/04/407508904.db2.gz XPZWSKROROTPAI-KRWDZBQOSA-N 0 3 308.422 1.352 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000273610350 408264878 /nfs/dbraw/zinc/26/48/78/408264878.db2.gz VPDSNZIOZKYNSZ-OLZOCXBDSA-N 0 3 312.435 1.775 20 10 DDCDHN CCN(C)c1ccc([C@H](C)NCC(=O)N2CCOCC2)cc1 ZINC000183352749 408387944 /nfs/dbraw/zinc/38/79/44/408387944.db2.gz GGWDEQWUMKQEJV-AWEZNQCLSA-N 0 3 305.422 1.652 20 10 DDCDHN CCOc1cccc(C[NH2+]CC2(N3CCOCC3)CC2)c1[O-] ZINC000277505864 408953855 /nfs/dbraw/zinc/95/38/55/408953855.db2.gz QDTUGWMCBTYPLS-UHFFFAOYSA-N 0 3 306.406 1.745 20 10 DDCDHN COc1ccc([O-])c(C[NH2+]CCCN2CCCO[C@H](C)C2)c1 ZINC000277662730 408987365 /nfs/dbraw/zinc/98/73/65/408987365.db2.gz ZYTSEJOLXUSWLY-CQSZACIVSA-N 0 3 308.422 1.991 20 10 DDCDHN COC[C@@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000279646595 409246160 /nfs/dbraw/zinc/24/61/60/409246160.db2.gz DOTWJVIDEUEVIE-LLVKDONJSA-N 0 3 306.328 1.868 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)NCc1ccc(OC)c(C)c1 ZINC000295086328 409318160 /nfs/dbraw/zinc/31/81/60/409318160.db2.gz QZXWJSDZJGVXBD-ZDUSSCGKSA-N 0 3 300.424 1.421 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1)OCO2 ZINC000295195675 409369028 /nfs/dbraw/zinc/36/90/28/409369028.db2.gz XWAOYQZEOWIYHC-AWEZNQCLSA-N 0 3 319.332 1.953 20 10 DDCDHN CC[C@@H](NCCS(=O)(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000290310444 409355402 /nfs/dbraw/zinc/35/54/02/409355402.db2.gz ZSJCBUHLUHYPNE-OAHLLOKOSA-N 0 3 313.467 1.685 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CCCC[C@H](CO)C2)cc1 ZINC000374053089 418486162 /nfs/dbraw/zinc/48/61/62/418486162.db2.gz UQBRPARTEDEOTI-INIZCTEOSA-N 0 3 319.449 1.463 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c1[O-] ZINC000366568507 418490530 /nfs/dbraw/zinc/49/05/30/418490530.db2.gz WUJRLRMPARCZEV-GHMZBOCLSA-N 0 3 324.764 1.149 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c1[O-] ZINC000366568507 418490533 /nfs/dbraw/zinc/49/05/33/418490533.db2.gz WUJRLRMPARCZEV-GHMZBOCLSA-N 0 3 324.764 1.149 20 10 DDCDHN C[C@@H](CO)N1CCCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000376416474 418697280 /nfs/dbraw/zinc/69/72/80/418697280.db2.gz SIZAZEQSWBLSQE-AWEZNQCLSA-N 0 3 309.429 1.780 20 10 DDCDHN COc1ccc(O)c(CN2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000362047560 418744831 /nfs/dbraw/zinc/74/48/31/418744831.db2.gz SELYXYMEDIBRBK-ZDUSSCGKSA-N 0 3 305.378 1.390 20 10 DDCDHN CCOc1ccc(O)c(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000371324829 418779691 /nfs/dbraw/zinc/77/96/91/418779691.db2.gz AUUUQRGHMPFLNB-WMZOPIPTSA-N 0 3 320.433 1.822 20 10 DDCDHN CN1CCC[C@H](N2CCN(C(=O)Cc3ccc(N)cc3)CC2)C1 ZINC000372099333 418836764 /nfs/dbraw/zinc/83/67/64/418836764.db2.gz TUEJCGCKFMGPCT-KRWDZBQOSA-N 0 3 316.449 1.050 20 10 DDCDHN O=C(c1cn[n-]c1[C@@H]1CC[NH2+]C1)N1CCc2cc(F)c(F)cc21 ZINC000662386555 424600421 /nfs/dbraw/zinc/60/04/21/424600421.db2.gz CMZOSEDIEOMINK-SNVBAGLBSA-N 0 3 318.327 1.968 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H](F)CN2)cc1F ZINC000188760120 520902873 /nfs/dbraw/zinc/90/28/73/520902873.db2.gz GXAVKVBRJWWYJQ-GXTWGEPZSA-N 0 3 311.376 1.988 20 10 DDCDHN COC[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000265817123 522844090 /nfs/dbraw/zinc/84/40/90/522844090.db2.gz RCPMETDXUURDJS-HNNXBMFYSA-N 0 3 305.422 1.337 20 10 DDCDHN [O-]c1ccccc1C[N@H+](CCn1cncn1)C[C@@H]1CCCO1 ZINC000264744481 526372413 /nfs/dbraw/zinc/37/24/13/526372413.db2.gz UVSCUQYBQUUJFB-HNNXBMFYSA-N 0 3 302.378 1.665 20 10 DDCDHN [O-]c1ccccc1C[N@@H+](CCn1cncn1)C[C@@H]1CCCO1 ZINC000264744481 526372416 /nfs/dbraw/zinc/37/24/16/526372416.db2.gz UVSCUQYBQUUJFB-HNNXBMFYSA-N 0 3 302.378 1.665 20 10 DDCDHN Cc1ccc(O)c(CN2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000093047102 696598941 /nfs/dbraw/zinc/59/89/41/696598941.db2.gz NRAZPAPQYIWQAD-UHFFFAOYSA-N 0 3 317.433 1.441 20 10 DDCDHN C[C@H](NCC(=O)NC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775258340 697977178 /nfs/dbraw/zinc/97/71/78/697977178.db2.gz XWYXCSPJRLWALA-ZDUSSCGKSA-N 0 3 303.406 1.452 20 10 DDCDHN COc1cc(O)c(CN2CCSC[C@@H]2CCO)cc1OC ZINC000775736986 698027632 /nfs/dbraw/zinc/02/76/32/698027632.db2.gz IZYJDHCVYMQVSG-LBPRGKRZSA-N 0 3 313.419 1.709 20 10 DDCDHN CS(=O)(=O)N[C@@H]1CCCN(Cc2cccc(F)c2O)C1 ZINC000703131170 699235032 /nfs/dbraw/zinc/23/50/32/699235032.db2.gz INJRIIYALXOWSV-LLVKDONJSA-N 0 3 302.371 1.045 20 10 DDCDHN CCOc1ccc(CN2CC[C@H](NC(=O)NC3CC3)C2)c(O)c1 ZINC000761228255 700851634 /nfs/dbraw/zinc/85/16/34/700851634.db2.gz KNQLFTGIEVGFJO-AWEZNQCLSA-N 0 3 319.405 1.827 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c([O-])c1 ZINC000761228255 700851635 /nfs/dbraw/zinc/85/16/35/700851635.db2.gz KNQLFTGIEVGFJO-AWEZNQCLSA-N 0 3 319.405 1.827 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c([O-])c1 ZINC000761228255 700851636 /nfs/dbraw/zinc/85/16/36/700851636.db2.gz KNQLFTGIEVGFJO-AWEZNQCLSA-N 0 3 319.405 1.827 20 10 DDCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N(C)C ZINC000764938648 700992317 /nfs/dbraw/zinc/99/23/17/700992317.db2.gz HLFZAIKSQVWSCU-ZIAGYGMSSA-N 0 3 305.422 1.651 20 10 DDCDHN COCCC[N@H+](CCOC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439419 701176830 /nfs/dbraw/zinc/17/68/30/701176830.db2.gz HFEGMIFKLYTWTH-HNNXBMFYSA-N 0 3 311.378 1.303 20 10 DDCDHN COCCC[N@@H+](CCOC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439419 701176831 /nfs/dbraw/zinc/17/68/31/701176831.db2.gz HFEGMIFKLYTWTH-HNNXBMFYSA-N 0 3 311.378 1.303 20 10 DDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(n3ccnc3)CC1)[C@@H](O)CO2 ZINC000768446529 701177659 /nfs/dbraw/zinc/17/76/59/701177659.db2.gz KUAWXOVHQLQQTN-INIZCTEOSA-N 0 3 315.373 1.852 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC[C@H]2CCCO2)c1 ZINC000839539023 701730224 /nfs/dbraw/zinc/73/02/24/701730224.db2.gz HIQCVPAWEFANNP-DGCLKSJQSA-N 0 3 308.378 1.347 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CNCCO2)c1[O-] ZINC000841099427 702345735 /nfs/dbraw/zinc/34/57/35/702345735.db2.gz PVSIDXVGQYSCTR-GFCCVEGCSA-N 0 3 315.211 1.541 20 10 DDCDHN C[C@H](NC(=O)NC[C@@H]1CNCCO1)c1ccc(N(C)C)cc1 ZINC000841880707 702605257 /nfs/dbraw/zinc/60/52/57/702605257.db2.gz GMTKWMFCUPQVPZ-WFASDCNBSA-N 0 3 306.410 1.101 20 10 DDCDHN COc1ccc(N(C)CCN(C)CCN2CCO[C@H](C)C2)cc1 ZINC000844401484 703026564 /nfs/dbraw/zinc/02/65/64/703026564.db2.gz MGISWPJJGQGNLS-MRXNPFEDSA-N 0 3 321.465 1.784 20 10 DDCDHN CCn1cc(CNCc2ccc(N3CCN(C)CC3)cc2)nn1 ZINC000850366822 703727898 /nfs/dbraw/zinc/72/78/98/703727898.db2.gz KWAKTUTUFOPYDP-UHFFFAOYSA-N 0 3 314.437 1.340 20 10 DDCDHN COc1ccc(N2CC[C@@H](N[C@@H]3CCCS(=O)(=O)C3)C2)cc1 ZINC000850487148 703733625 /nfs/dbraw/zinc/73/36/25/703733625.db2.gz GLIYLWWIGWXUJX-ZIAGYGMSSA-N 0 3 324.446 1.441 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@@H](O)C2CCOCC2)cc1F ZINC000858142012 704670013 /nfs/dbraw/zinc/67/00/13/704670013.db2.gz VBOJBARLNYOIMD-MRXNPFEDSA-N 0 3 314.376 1.908 20 10 DDCDHN COc1cc(CN2CC[C@H](O)[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000826123549 705775524 /nfs/dbraw/zinc/77/55/24/705775524.db2.gz QGSVRABTJSQWMO-CJNGLKHVSA-N 0 3 323.433 1.873 20 10 DDCDHN COCCN(CCF)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000827053778 705918605 /nfs/dbraw/zinc/91/86/05/705918605.db2.gz GHUFQSCJRQZHHB-UHFFFAOYSA-N 0 3 309.429 1.856 20 10 DDCDHN CC(=O)[C@@](C)(O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000827336393 705978419 /nfs/dbraw/zinc/97/84/19/705978419.db2.gz GIJVJMUJXCNDKM-KRWDZBQOSA-N 0 3 306.406 1.295 20 10 DDCDHN CN1CCN(CC[NH2+]Cc2ccc(F)c(F)c2[O-])CC1(C)C ZINC000877499707 706123909 /nfs/dbraw/zinc/12/39/09/706123909.db2.gz UIBWABJVNDTTHS-UHFFFAOYSA-N 0 3 313.392 1.786 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C ZINC000877651998 706170790 /nfs/dbraw/zinc/17/07/90/706170790.db2.gz PYHQVTRYPFVRMH-GOSISDBHSA-N 0 3 320.433 1.406 20 10 DDCDHN O=C(C[C@H]1CNCCO1)NCCCSc1nccs1 ZINC000829527966 706350693 /nfs/dbraw/zinc/35/06/93/706350693.db2.gz IMSFQCCANZDPOI-JTQLQIEISA-N 0 3 301.437 1.120 20 10 DDCDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834774794 707114506 /nfs/dbraw/zinc/11/45/06/707114506.db2.gz ROJRYICHQKESSC-SQWLQELKSA-N 0 3 307.390 1.790 20 10 DDCDHN CN(C)c1ccc([C@@H](CNc2cc(=O)[n-]cn2)[NH+](C)C)cc1 ZINC000897523891 708362451 /nfs/dbraw/zinc/36/24/51/708362451.db2.gz YYGPCCCFBVLILB-CQSZACIVSA-N 0 3 301.394 1.963 20 10 DDCDHN CCOc1ccc(CN2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c1 ZINC000897619165 708396130 /nfs/dbraw/zinc/39/61/30/708396130.db2.gz PQFGIZRWKUYTGE-BETUJISGSA-N 0 3 311.403 1.267 20 10 DDCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c([O-])c1 ZINC000897624424 708399340 /nfs/dbraw/zinc/39/93/40/708399340.db2.gz ZILQUOKFSOEKDD-GUYCJALGSA-N 0 3 304.390 1.878 20 10 DDCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c([O-])c1 ZINC000897624424 708399344 /nfs/dbraw/zinc/39/93/44/708399344.db2.gz ZILQUOKFSOEKDD-GUYCJALGSA-N 0 3 304.390 1.878 20 10 DDCDHN CCOC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@H](CO)C1 ZINC000898356475 708619858 /nfs/dbraw/zinc/61/98/58/708619858.db2.gz QNRGQOGHFHSARZ-YPMHNXCESA-N 0 3 312.341 1.070 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CCOCC2)N(C)C)cc1 ZINC000899101727 708983548 /nfs/dbraw/zinc/98/35/48/708983548.db2.gz LHHXAPNXPCWSBD-INIZCTEOSA-N 0 3 320.437 1.397 20 10 DDCDHN COC1CC(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891247828 710141274 /nfs/dbraw/zinc/14/12/74/710141274.db2.gz VNDINUPPUZBWFK-BDVYOWHSSA-N 0 3 319.449 1.897 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]CCCc2nnnn2C)c2c1c(F)ccc2[O-] ZINC000903348890 711100027 /nfs/dbraw/zinc/10/00/27/711100027.db2.gz NPBJHSCZOLNFHE-MWLCHTKSSA-N 0 3 305.357 1.826 20 10 DDCDHN CNC(=O)C1(NCc2ccc(N(C)C)c(F)c2)CCOCC1 ZINC000895884254 711636898 /nfs/dbraw/zinc/63/68/98/711636898.db2.gz IDPPMWAKCWBAQM-UHFFFAOYSA-N 0 3 309.385 1.277 20 10 DDCDHN CN(Cc1ccccc1O)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914145366 713347965 /nfs/dbraw/zinc/34/79/65/713347965.db2.gz SWKIJWZTMBTYND-INIZCTEOSA-N 0 3 324.446 1.640 20 10 DDCDHN CN(C)c1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000920277609 713659409 /nfs/dbraw/zinc/65/94/09/713659409.db2.gz HCLLNNUIZMRGGL-CQSZACIVSA-N 0 3 302.422 1.789 20 10 DDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)C1(O)CCOCC1 ZINC000929753422 713682653 /nfs/dbraw/zinc/68/26/53/713682653.db2.gz PWWOLVQYMIAHTR-INIZCTEOSA-N 0 3 309.406 1.507 20 10 DDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)C1(O)CCOCC1 ZINC000929753422 713682654 /nfs/dbraw/zinc/68/26/54/713682654.db2.gz PWWOLVQYMIAHTR-INIZCTEOSA-N 0 3 309.406 1.507 20 10 DDCDHN NC(=O)N=Nc1ccc(C(=O)NCC2CN(CCCF)C2)cc1 ZINC001032219106 749007665 /nfs/dbraw/zinc/00/76/65/749007665.db2.gz NJLXOHFEINEUMH-UHFFFAOYSA-N 0 3 321.356 1.870 20 10 DDCDHN Oc1cc(O)c(CN2CCN(c3nccs3)CC2)c(O)c1 ZINC001144500146 772551258 /nfs/dbraw/zinc/55/12/58/772551258.db2.gz PXINDKCIMUMNFX-UHFFFAOYSA-N 0 3 307.375 1.582 20 10 DDCDHN CN(C)c1ccc([C@@H](O)C(=O)N2CCC3(CN(C)C3)CC2)cc1 ZINC001272778758 847416256 /nfs/dbraw/zinc/41/62/56/847416256.db2.gz AVJKFXJEVUKMIT-MRXNPFEDSA-N 0 3 317.433 1.340 20 10 DDCDHN O=C1N(C2COC2)CC[C@@]12CCCN2Cc1ccc(O)cc1O ZINC001272988451 847750353 /nfs/dbraw/zinc/75/03/53/847750353.db2.gz RYBJHKVXARMUTN-KRWDZBQOSA-N 0 3 318.373 1.064 20 10 DDCDHN Cc1cc(Cl)cc(CN2CC[C@]3(C2)CN(C)C(=O)CO3)c1O ZINC001274399230 852234044 /nfs/dbraw/zinc/23/40/44/852234044.db2.gz OBCXCINWECSOSX-MRXNPFEDSA-N 0 3 324.808 1.787 20 10 DDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c1[O-] ZINC001274399230 852234055 /nfs/dbraw/zinc/23/40/55/852234055.db2.gz OBCXCINWECSOSX-MRXNPFEDSA-N 0 3 324.808 1.787 20 10 DDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c1[O-] ZINC001274399230 852234065 /nfs/dbraw/zinc/23/40/65/852234065.db2.gz OBCXCINWECSOSX-MRXNPFEDSA-N 0 3 324.808 1.787 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CCC[C@@]23CCN(C)C3=O)c([O-])c1 ZINC001274764946 852586270 /nfs/dbraw/zinc/58/62/70/852586270.db2.gz DXLDQUZYUZCDLP-KRWDZBQOSA-N 0 3 304.390 1.988 20 10 DDCDHN CCOc1ccc(C[N@H+]2CCC[C@@]23CCN(C)C3=O)c([O-])c1 ZINC001274764946 852586276 /nfs/dbraw/zinc/58/62/76/852586276.db2.gz DXLDQUZYUZCDLP-KRWDZBQOSA-N 0 3 304.390 1.988 20 10 DDCDHN CC(C)NC(=O)N1CC[C@H]2[C@@H]1CCN2Cc1cc(O)ccc1O ZINC001275424940 853103099 /nfs/dbraw/zinc/10/30/99/853103099.db2.gz HNKCBMBKXXUBKS-GJZGRUSLSA-N 0 3 319.405 1.864 20 10 DDCDHN C[NH+](C)CCN1CC2(C1)CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001275774660 853725177 /nfs/dbraw/zinc/72/51/77/853725177.db2.gz SQRIVBSYKYYPOB-UHFFFAOYSA-N 0 3 311.376 1.350 20 10 DDCDHN COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001275912923 853932105 /nfs/dbraw/zinc/93/21/05/853932105.db2.gz HHYGAROVDGATAN-CJNGLKHVSA-N 0 3 324.396 1.658 20 10 DDCDHN COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001275912923 853932108 /nfs/dbraw/zinc/93/21/08/853932108.db2.gz HHYGAROVDGATAN-CJNGLKHVSA-N 0 3 324.396 1.658 20 10 DDCDHN CN(Cc1ccccc1O)C(=O)c1cc2n(n1)CCC[C@H]2N ZINC001121928976 858637264 /nfs/dbraw/zinc/63/72/64/858637264.db2.gz PLCDUOYMNZSYBC-GFCCVEGCSA-N 0 3 300.362 1.655 20 10 DDCDHN CCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H](C)C(=O)OC ZINC001139411466 860389717 /nfs/dbraw/zinc/38/97/17/860389717.db2.gz NMOWMPLUKYVFSB-HNNXBMFYSA-N 0 3 319.449 1.822 20 10 DDCDHN CN1CCN(c2ccc(CN3CC4(C3)CCCO4)cc2)CC1 ZINC001139408770 860391323 /nfs/dbraw/zinc/39/13/23/860391323.db2.gz QINYGBLCIRKMSE-UHFFFAOYSA-N 0 3 301.434 1.803 20 10 DDCDHN CNC(=O)N[C@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674001 860450428 /nfs/dbraw/zinc/45/04/28/860450428.db2.gz KEUMEHOGDZEWNG-HNNXBMFYSA-N 0 3 304.438 1.954 20 10 DDCDHN CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])CC[C@@H]2C1 ZINC001140063133 860567342 /nfs/dbraw/zinc/56/73/42/860567342.db2.gz LKCACJNRTBETBH-CXAGYDPISA-N 0 3 322.380 1.601 20 10 DDCDHN CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])CC[C@@H]2C1 ZINC001140063133 860567345 /nfs/dbraw/zinc/56/73/45/860567345.db2.gz LKCACJNRTBETBH-CXAGYDPISA-N 0 3 322.380 1.601 20 10 DDCDHN O=C(NC1CCN(Cc2cc(O)ccc2O)CC1)C1CCC1 ZINC001141159655 860797926 /nfs/dbraw/zinc/79/79/26/860797926.db2.gz INHYGAHVAIVYGH-UHFFFAOYSA-N 0 3 304.390 1.979 20 10 DDCDHN CCN1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001319922165 866386942 /nfs/dbraw/zinc/38/69/42/866386942.db2.gz WXLMEQRBHUWEQC-UHFFFAOYSA-N 0 3 320.456 1.715 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC[C@@](C)(O)C3)cc2F)CC1 ZINC001337042021 869284375 /nfs/dbraw/zinc/28/43/75/869284375.db2.gz GASBBKCUBYKTTB-GOSISDBHSA-N 0 3 321.440 1.924 20 10 DDCDHN COCCCCN1CCN(Cc2cccc(OC)c2O)CC1 ZINC001203601847 870663694 /nfs/dbraw/zinc/66/36/94/870663694.db2.gz NNHUCDBUOMEOCH-UHFFFAOYSA-N 0 3 308.422 1.945 20 10 DDCDHN COc1ccc(CN2CCC[C@@H](NC(=O)N(C)C)C2)c(O)c1 ZINC001203635459 870688584 /nfs/dbraw/zinc/68/85/84/870688584.db2.gz WHLRDQMSZZVELB-CYBMUJFWSA-N 0 3 307.394 1.636 20 10 DDCDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2c(O)cccc2F)C1(C)C ZINC001342613511 872294093 /nfs/dbraw/zinc/29/40/93/872294093.db2.gz OIIUKQJEPBANMM-CZUORRHYSA-N 0 3 310.369 1.680 20 10 DDCDHN COC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1C(=O)OC ZINC001352109357 876602281 /nfs/dbraw/zinc/60/22/81/876602281.db2.gz IQZOKDQHEJREDD-GASCZTMLSA-N 0 3 320.389 1.147 20 10 DDCDHN CN(C)C(=O)[C@H]1COCCC12C[NH+](Cc1ccccc1[O-])C2 ZINC001277442191 884299225 /nfs/dbraw/zinc/29/92/25/884299225.db2.gz SOVIWVOEYYBPMR-CQSZACIVSA-N 0 3 304.390 1.319 20 10 DDCDHN COc1cccc(CN2CC3(C2)SCC[C@@H]3C(N)=O)c1O ZINC001277452578 884413810 /nfs/dbraw/zinc/41/38/10/884413810.db2.gz WKOOZTAHTUVADK-LLVKDONJSA-N 0 3 308.403 1.194 20 10 DDCDHN COc1ccc(Br)c(CN2C[C@H](C)[C@H](O)C2)c1O ZINC001231548554 885725271 /nfs/dbraw/zinc/72/52/71/885725271.db2.gz VSGDVHVWAKALQT-GZMMTYOYSA-N 0 3 316.195 1.976 20 10 DDCDHN COC(=O)[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCN1C ZINC001231591191 885752419 /nfs/dbraw/zinc/75/24/19/885752419.db2.gz XTAXSKCOEMSMRN-MRXNPFEDSA-N 0 3 314.385 1.834 20 10 DDCDHN COC(=O)[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCN1C ZINC001231591191 885752437 /nfs/dbraw/zinc/75/24/37/885752437.db2.gz XTAXSKCOEMSMRN-MRXNPFEDSA-N 0 3 314.385 1.834 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](CO)[C@H](O)C3)c2c1 ZINC001234525177 888052267 /nfs/dbraw/zinc/05/22/67/888052267.db2.gz BVAYWNLRVBYSBN-FZKQIMNGSA-N 0 3 317.385 1.729 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](CO)[C@H](O)C3)c2c1 ZINC001234525177 888052283 /nfs/dbraw/zinc/05/22/83/888052283.db2.gz BVAYWNLRVBYSBN-FZKQIMNGSA-N 0 3 317.385 1.729 20 10 DDCDHN COC(=O)[C@@H]1CNCCN1Cc1ccc(C(F)(F)F)cc1O ZINC001236056650 889088634 /nfs/dbraw/zinc/08/86/34/889088634.db2.gz LPMNMLCOCGCBNS-NSHDSACASA-N 0 3 318.295 1.358 20 10 DDCDHN COC[C@@H]1CCN1Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236945091 889435154 /nfs/dbraw/zinc/43/51/54/889435154.db2.gz HWKAVBQRGUSRGR-INIZCTEOSA-N 0 3 307.413 1.798 20 10 DDCDHN CN1CCN(CC[N@H+](C)Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237950427 889951354 /nfs/dbraw/zinc/95/13/54/889951354.db2.gz SXZAYMHVPFIBIS-UHFFFAOYSA-N 0 3 315.820 1.864 20 10 DDCDHN CN1CCN(CC[N@@H+](C)Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237950427 889951358 /nfs/dbraw/zinc/95/13/58/889951358.db2.gz SXZAYMHVPFIBIS-UHFFFAOYSA-N 0 3 315.820 1.864 20 10 DDCDHN CCN1CCN(c2ccc(C3=C4CC(=O)N=C4NC=N3)cc2)CC1 ZINC001241737074 891252487 /nfs/dbraw/zinc/25/24/87/891252487.db2.gz AUZUIYWNQDBBHR-UHFFFAOYSA-N 0 3 323.400 1.500 20 10 DDCDHN COC(=O)Cc1ccc(CN2CCOC[C@@H]2C(C)C)c(O)c1 ZINC001249208622 893865588 /nfs/dbraw/zinc/86/55/88/893865588.db2.gz YYDNGHFFZKCWIQ-OAHLLOKOSA-N 0 3 307.390 1.965 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@@H]2C(C)C)c([O-])c1 ZINC001249208622 893865605 /nfs/dbraw/zinc/86/56/05/893865605.db2.gz YYDNGHFFZKCWIQ-OAHLLOKOSA-N 0 3 307.390 1.965 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCOC[C@@H]2C(C)C)c([O-])c1 ZINC001249208622 893865624 /nfs/dbraw/zinc/86/56/24/893865624.db2.gz YYDNGHFFZKCWIQ-OAHLLOKOSA-N 0 3 307.390 1.965 20 10 DDCDHN COc1ccccc1OC[C@H](O)CNCc1ccc(O)c(O)c1 ZINC001252909793 895537855 /nfs/dbraw/zinc/53/78/55/895537855.db2.gz IJRIYPOMBGMOPU-CYBMUJFWSA-N 0 3 319.357 1.636 20 10 DDCDHN Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)c([O-])c1 ZINC000284098299 131048928 /nfs/dbraw/zinc/04/89/28/131048928.db2.gz MRBBVRXYDWICCC-GJZGRUSLSA-N 0 3 319.449 1.999 20 10 DDCDHN CN(C)c1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000093817283 407201806 /nfs/dbraw/zinc/20/18/06/407201806.db2.gz TXCHSCCQJCUPMX-KRWDZBQOSA-N 0 3 303.450 1.907 20 10 DDCDHN Cc1ccc(O)c(CN2CCCC[C@H]2CNS(C)(=O)=O)c1 ZINC000271060508 407492764 /nfs/dbraw/zinc/49/27/64/407492764.db2.gz GHMGZVACEVJDNB-AWEZNQCLSA-N 0 3 312.435 1.604 20 10 DDCDHN COc1cc(O)c(CN2CCC[C@H](OCCO)C2)cc1OC ZINC000271756808 407730691 /nfs/dbraw/zinc/73/06/91/407730691.db2.gz XNGUACQADROKOC-ZDUSSCGKSA-N 0 3 311.378 1.383 20 10 DDCDHN CCOc1cccc(C[N@H+](CCO)C2CCN(C)CC2)c1[O-] ZINC000269366625 408283486 /nfs/dbraw/zinc/28/34/86/408283486.db2.gz REXLABCLFWUTCC-UHFFFAOYSA-N 0 3 308.422 1.679 20 10 DDCDHN CCOc1cccc(C[N@@H+](CCO)C2CCN(C)CC2)c1[O-] ZINC000269366625 408283490 /nfs/dbraw/zinc/28/34/90/408283490.db2.gz REXLABCLFWUTCC-UHFFFAOYSA-N 0 3 308.422 1.679 20 10 DDCDHN COc1cc(O)c(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1OC ZINC000281096325 408872367 /nfs/dbraw/zinc/87/23/67/408872367.db2.gz AAJFAKOKMRQOOG-NEPJUHHUSA-N 0 3 322.361 1.340 20 10 DDCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCC(=O)OC ZINC000282433098 409053457 /nfs/dbraw/zinc/05/34/57/409053457.db2.gz KFMHYFMKVGJJGD-ZDUSSCGKSA-N 0 3 322.405 1.672 20 10 DDCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NCC(=O)OC ZINC000282433098 409053458 /nfs/dbraw/zinc/05/34/58/409053458.db2.gz KFMHYFMKVGJJGD-ZDUSSCGKSA-N 0 3 322.405 1.672 20 10 DDCDHN Cc1cc(CN2CCN(C[C@H](C)O)C[C@H]2C)ccc1N(C)C ZINC000294447789 409290945 /nfs/dbraw/zinc/29/09/45/409290945.db2.gz FTHPKPLLCKZEKR-CVEARBPZSA-N 0 3 305.466 1.948 20 10 DDCDHN COCCOC1(C[NH2+]Cc2cc(F)ccc2[O-])CCOCC1 ZINC000294771351 409302867 /nfs/dbraw/zinc/30/28/67/409302867.db2.gz KFKYMBRBSLWTMU-UHFFFAOYSA-N 0 3 313.369 1.833 20 10 DDCDHN C[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1CO ZINC000298649024 410330905 /nfs/dbraw/zinc/33/09/05/410330905.db2.gz XHLIHQXJDCDBTR-BBRMVZONSA-N 0 3 305.422 1.072 20 10 DDCDHN COc1ccc(N2CCCN(C(=O)[C@@H](N)C(C)C)CC2)cc1 ZINC000237279855 222207922 /nfs/dbraw/zinc/20/79/22/222207922.db2.gz LKUGNXBPWYXFSM-INIZCTEOSA-N 0 3 305.422 1.717 20 10 DDCDHN O[C@@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@H]1O ZINC000368044755 418678023 /nfs/dbraw/zinc/67/80/23/418678023.db2.gz TZRYBWJQMMQNJP-WOJBJXKFSA-N 0 3 324.424 1.787 20 10 DDCDHN CC(C)OCCN1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000236803654 519765251 /nfs/dbraw/zinc/76/52/51/519765251.db2.gz VQSGRDSJAFMFOF-UHFFFAOYSA-N 0 3 319.449 1.817 20 10 DDCDHN CCCOc1ccc(C[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c([O-])c1 ZINC000365653750 520352238 /nfs/dbraw/zinc/35/22/38/520352238.db2.gz FPBOZHHSPLYAAW-UKRRQHHQSA-N 0 3 304.390 1.749 20 10 DDCDHN CCCOc1ccc(C[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c([O-])c1 ZINC000365653750 520352241 /nfs/dbraw/zinc/35/22/41/520352241.db2.gz FPBOZHHSPLYAAW-UKRRQHHQSA-N 0 3 304.390 1.749 20 10 DDCDHN CCN1CCN([C@H]2CC[N@H+](Cc3cccc(C)c3[O-])C2)CC1 ZINC000180068959 521695862 /nfs/dbraw/zinc/69/58/62/521695862.db2.gz ICODWVLAJXKUDB-KRWDZBQOSA-N 0 3 303.450 1.912 20 10 DDCDHN CCN1CCN([C@H]2CC[N@@H+](Cc3cccc(C)c3[O-])C2)CC1 ZINC000180068959 521695864 /nfs/dbraw/zinc/69/58/64/521695864.db2.gz ICODWVLAJXKUDB-KRWDZBQOSA-N 0 3 303.450 1.912 20 10 DDCDHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000236952023 522366961 /nfs/dbraw/zinc/36/69/61/522366961.db2.gz JHFVUMXAWHFESQ-CJNGLKHVSA-N 0 3 305.422 1.513 20 10 DDCDHN C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1CO ZINC000190838003 524925334 /nfs/dbraw/zinc/92/53/34/524925334.db2.gz KVVNQWVIMDVLML-ZBFHGGJFSA-N 0 3 319.449 1.271 20 10 DDCDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CN1C1CC1 ZINC000180854155 525248829 /nfs/dbraw/zinc/24/88/29/525248829.db2.gz OHNBIYUWPGJCRP-OMCWZWAOSA-N 0 3 302.374 1.852 20 10 DDCDHN COc1cc(O)c(CN2CCN(CC(C)(C)O)CC2)cc1OC ZINC000160244606 697316155 /nfs/dbraw/zinc/31/61/55/697316155.db2.gz SWXDCMAWAVONRY-UHFFFAOYSA-N 0 3 324.421 1.298 20 10 DDCDHN COc1ccc(O)c(CN[C@@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000776229709 698085064 /nfs/dbraw/zinc/08/50/64/698085064.db2.gz AQECIJQACUNKMD-OAHLLOKOSA-N 0 3 320.389 1.270 20 10 DDCDHN COCCO[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000800849754 700248497 /nfs/dbraw/zinc/24/84/97/700248497.db2.gz FGPGVWBTBWXVBU-CZUORRHYSA-N 0 3 323.389 1.445 20 10 DDCDHN COCCO[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000800849754 700248501 /nfs/dbraw/zinc/24/85/01/700248501.db2.gz FGPGVWBTBWXVBU-CZUORRHYSA-N 0 3 323.389 1.445 20 10 DDCDHN N[C@H](CC1CC1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000324017810 698742822 /nfs/dbraw/zinc/74/28/22/698742822.db2.gz MSQRDWGRRCWNAA-OAHLLOKOSA-N 0 3 321.396 1.406 20 10 DDCDHN COc1ccc(CNC(C)(C)CNS(C)(=O)=O)cc1C ZINC000708352060 699250017 /nfs/dbraw/zinc/25/00/17/699250017.db2.gz DLYHUMFFSKVTAV-UHFFFAOYSA-N 0 3 300.424 1.421 20 10 DDCDHN CC1(C)CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1O ZINC000790937176 699604009 /nfs/dbraw/zinc/60/40/09/699604009.db2.gz LAKSEYBHWPRMPH-INIZCTEOSA-N 0 3 308.397 1.865 20 10 DDCDHN Cc1cc(Cl)cc(C[NH2+]C2CC(NS(C)(=O)=O)C2)c1[O-] ZINC000802653824 700415525 /nfs/dbraw/zinc/41/55/25/700415525.db2.gz BJHHQYODSDVQGC-UHFFFAOYSA-N 0 3 318.826 1.524 20 10 DDCDHN CCN1CCN(C[C@H](C)CNC(=O)C2=CC(=O)CS2)CC1 ZINC000759096188 700737157 /nfs/dbraw/zinc/73/71/57/700737157.db2.gz XABLMGTYBQOLGF-GFCCVEGCSA-N 0 3 311.451 1.457 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000809700717 701681321 /nfs/dbraw/zinc/68/13/21/701681321.db2.gz NAGIGGLWBWDMQR-KGLIPLIRSA-N 0 3 306.406 1.696 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000809700717 701681323 /nfs/dbraw/zinc/68/13/23/701681323.db2.gz NAGIGGLWBWDMQR-KGLIPLIRSA-N 0 3 306.406 1.696 20 10 DDCDHN CC(=O)NC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768440111 701176994 /nfs/dbraw/zinc/17/69/94/701176994.db2.gz NZBAWVSOEHULIZ-WBMJQRKESA-N 0 3 320.389 1.166 20 10 DDCDHN CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768440111 701176997 /nfs/dbraw/zinc/17/69/97/701176997.db2.gz NZBAWVSOEHULIZ-WBMJQRKESA-N 0 3 320.389 1.166 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](n3cccn3)C1)[C@H](O)CO2 ZINC000812296374 702141130 /nfs/dbraw/zinc/14/11/30/702141130.db2.gz NJNZNNACIPBZCC-IUODEOHRSA-N 0 3 301.346 1.462 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](n3cccn3)C1)[C@H](O)CO2 ZINC000812296374 702141132 /nfs/dbraw/zinc/14/11/32/702141132.db2.gz NJNZNNACIPBZCC-IUODEOHRSA-N 0 3 301.346 1.462 20 10 DDCDHN CCOc1cccc(CN2C[C@H](O)C[C@H](C(=O)OC)C2)c1O ZINC000843435602 702882143 /nfs/dbraw/zinc/88/21/43/702882143.db2.gz WGZNLCRFIQPPJL-QWHCGFSZSA-N 0 3 309.362 1.147 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CCC(=O)OC ZINC000843488422 702891446 /nfs/dbraw/zinc/89/14/46/702891446.db2.gz YOLJXUMRBQTHCE-HNNXBMFYSA-N 0 3 321.421 1.382 20 10 DDCDHN C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cc(F)ccc1[O-] ZINC000866520826 706720215 /nfs/dbraw/zinc/72/02/15/706720215.db2.gz IGPYFTBTOREXEN-ZUZCIYMTSA-N 0 3 310.325 1.403 20 10 DDCDHN C[C@H](NCC(=O)NCC(=O)NC(C)(C)C)c1ccccc1O ZINC000879650471 706749695 /nfs/dbraw/zinc/74/96/95/706749695.db2.gz BMVVLMCIMFTMOQ-NSHDSACASA-N 0 3 307.394 1.074 20 10 DDCDHN CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000879651120 706750267 /nfs/dbraw/zinc/75/02/67/706750267.db2.gz JFGOOBRYCVYQSO-JSGCOSHPSA-N 0 3 319.405 1.170 20 10 DDCDHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000850833224 703757476 /nfs/dbraw/zinc/75/74/76/703757476.db2.gz IEUXZWUXIRRWEU-ZDUSSCGKSA-N 0 3 304.394 1.196 20 10 DDCDHN COCC(C)(C)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000819893522 704182268 /nfs/dbraw/zinc/18/22/68/704182268.db2.gz JYBWYIJMPIPJPZ-UHFFFAOYSA-N 0 3 322.405 1.664 20 10 DDCDHN Oc1cc2c(cc1CN1CCN([C@@H]3CCOC3)CC1)CCC2 ZINC000853551360 704266214 /nfs/dbraw/zinc/26/62/14/704266214.db2.gz VZIYRVBFHVHPPI-QGZVFWFLSA-N 0 3 302.418 1.787 20 10 DDCDHN COC[C@@](C)(O)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000824559104 705479661 /nfs/dbraw/zinc/47/96/61/705479661.db2.gz FZXFNXNWWHPIID-AWEZNQCLSA-N 0 3 303.786 1.931 20 10 DDCDHN CCOCc1cc(CN[C@H]2CC(=O)N(CC)C2)ccc1OC ZINC000824886617 705551579 /nfs/dbraw/zinc/55/15/79/705551579.db2.gz GEJJBUBPBDWEED-HNNXBMFYSA-N 0 3 306.406 1.942 20 10 DDCDHN CN(C)c1cc(F)c(CNCCN2CCCOCC2)cc1F ZINC000862367694 705702865 /nfs/dbraw/zinc/70/28/65/705702865.db2.gz RNHSKRMWYKCBJW-UHFFFAOYSA-N 0 3 313.392 1.843 20 10 DDCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cnn(C)n1 ZINC000926853865 712912817 /nfs/dbraw/zinc/91/28/17/712912817.db2.gz IUVPEYKCMUTTQO-CQSZACIVSA-N 0 3 314.437 1.418 20 10 DDCDHN CC[C@@H](N)c1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000881094935 707124327 /nfs/dbraw/zinc/12/43/27/707124327.db2.gz YDDWGVFGEBNOCB-CQSZACIVSA-N 0 3 316.409 1.070 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000927022581 712931481 /nfs/dbraw/zinc/93/14/81/712931481.db2.gz FRBFIUCEGURXIV-YWVKMMECSA-N 0 3 317.382 1.075 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CCO[C@H]2CCOC2)c1[O-] ZINC000897202905 708251992 /nfs/dbraw/zinc/25/19/92/708251992.db2.gz ZZFABNGSBIRMFI-LBPRGKRZSA-N 0 3 301.770 1.949 20 10 DDCDHN C[C@@H]1CS(=O)(=O)C[C@@H]1NC/C=C\c1ccc(N(C)C)cc1 ZINC000886293801 708736876 /nfs/dbraw/zinc/73/68/76/708736876.db2.gz QZHCWGOLEZBJJQ-DUIDPNDXSA-N 0 3 308.447 1.789 20 10 DDCDHN O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc([O-])cs1 ZINC000898632009 708821276 /nfs/dbraw/zinc/82/12/76/708821276.db2.gz FYNIODMESQODMX-UHFFFAOYSA-N 0 3 310.419 1.827 20 10 DDCDHN CO[C@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCS(=O)(=O)C1 ZINC000903363593 711104287 /nfs/dbraw/zinc/10/42/87/711104287.db2.gz PEUKLNGPEQHZNU-DOMZBBRYSA-N 0 3 311.403 1.173 20 10 DDCDHN COc1ccc(CN[C@H]2CCN(C3CCC3)C2=O)c(O)c1OC ZINC000895673298 711574319 /nfs/dbraw/zinc/57/43/19/711574319.db2.gz JXIIUPKYHSGJQJ-ZDUSSCGKSA-N 0 3 320.389 1.652 20 10 DDCDHN CNC(=O)C1(NCc2ccc3c(c2)CCCO3)CCOCC1 ZINC000896067682 711671438 /nfs/dbraw/zinc/67/14/38/711671438.db2.gz BATJPUDAJRQJOF-UHFFFAOYSA-N 0 3 304.390 1.396 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)O[C@H]2CCOC2)N(C)C)cc1 ZINC000908459303 712779156 /nfs/dbraw/zinc/77/91/56/712779156.db2.gz FINOWHFGXZQVSY-JKSUJKDBSA-N 0 3 321.421 1.870 20 10 DDCDHN COC1(OC)CC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000924747950 714655012 /nfs/dbraw/zinc/65/50/12/714655012.db2.gz BITXPHLWKRFWMU-MRXNPFEDSA-N 0 3 306.406 1.764 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001274764896 852586239 /nfs/dbraw/zinc/58/62/39/852586239.db2.gz COXKYHVUQGITTM-QGZVFWFLSA-N 0 3 304.390 1.845 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001274764896 852586245 /nfs/dbraw/zinc/58/62/45/852586245.db2.gz COXKYHVUQGITTM-QGZVFWFLSA-N 0 3 304.390 1.845 20 10 DDCDHN Oc1ccc(CN2CC3(C2)CCN(Cc2cn[nH]c2)C3)cc1O ZINC001275820987 853814425 /nfs/dbraw/zinc/81/44/25/853814425.db2.gz DLZUGYTZRSZTGW-UHFFFAOYSA-N 0 3 314.389 1.529 20 10 DDCDHN CCN1CCN(c2ccc(CN3CC(=O)NC[C@H]3C)cc2)CC1 ZINC001140305530 860616356 /nfs/dbraw/zinc/61/63/56/860616356.db2.gz AWQCAJZYDSQPOV-OAHLLOKOSA-N 0 3 316.449 1.149 20 10 DDCDHN CCN1CCN(c2ccc(CN3C[C@@H]4C[C@H]3C(=O)O4)cc2)CC1 ZINC001140309888 860616550 /nfs/dbraw/zinc/61/65/50/860616550.db2.gz YZUOLDXVCLVRCF-IRXDYDNUSA-N 0 3 315.417 1.328 20 10 DDCDHN COc1cc([O-])c(C[NH+]2CCC(C)(C(N)=O)CC2)c(OC)c1 ZINC001141028538 860765381 /nfs/dbraw/zinc/76/53/81/860765381.db2.gz SZHRCZNHZHFQPX-UHFFFAOYSA-N 0 3 308.378 1.497 20 10 DDCDHN CCOC(=O)[C@@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141144287 860794562 /nfs/dbraw/zinc/79/45/62/860794562.db2.gz YNVRMOSOAWHFPM-CQSZACIVSA-N 0 3 304.390 1.900 20 10 DDCDHN COc1ccc(CN2CC3CC2(C(=O)N2CCCC2)C3)c(O)c1 ZINC001203623510 870679139 /nfs/dbraw/zinc/67/91/39/870679139.db2.gz SRRCWRXVAVZHHO-UHFFFAOYSA-N 0 3 316.401 1.988 20 10 DDCDHN [O-]c1cc(O)ccc1C[NH+]1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001204274113 871032554 /nfs/dbraw/zinc/03/25/54/871032554.db2.gz IVENCVIECUKHKL-ZIAGYGMSSA-N 0 3 312.373 1.456 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001341762351 871810917 /nfs/dbraw/zinc/81/09/17/871810917.db2.gz CFNJNJZHZYQIAX-GFCCVEGCSA-N 0 3 306.259 1.690 20 10 DDCDHN COc1cc(CN2CCC[C@@]3(CCCC(=O)N3)C2)c(O)cc1O ZINC001231635623 885772483 /nfs/dbraw/zinc/77/24/83/885772483.db2.gz WAXWGQAEKJSRRD-KRWDZBQOSA-N 0 3 320.389 1.741 20 10 DDCDHN CC(C)(C)C(=O)NC1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487113 887020961 /nfs/dbraw/zinc/02/09/61/887020961.db2.gz QHJFEIAGKVMGRX-UHFFFAOYSA-N 0 3 322.405 1.930 20 10 DDCDHN CCc1ccc(C[NH+]2CCC(N3CCOCC3=O)CC2)c([O-])c1 ZINC001236788525 889357255 /nfs/dbraw/zinc/35/72/55/889357255.db2.gz OXWIVHGGYKRNDL-UHFFFAOYSA-N 0 3 318.417 1.778 20 10 DDCDHN NC(=O)NC1CC[NH+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237119657 889510588 /nfs/dbraw/zinc/51/05/88/889510588.db2.gz DNZRUGADQXILNM-UHFFFAOYSA-N 0 3 301.749 1.817 20 10 DDCDHN CC[C@@]12C[C@@H](CO1)N(Cc1ccc(CC(=O)OC)cc1O)C2 ZINC001249207898 893868489 /nfs/dbraw/zinc/86/84/89/893868489.db2.gz LQPVFGLDSKVPLD-YOEHRIQHSA-N 0 3 305.374 1.861 20 10 DDCDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000274414212 130232620 /nfs/dbraw/zinc/23/26/20/130232620.db2.gz FGERXBIFIDWWHS-NSHDSACASA-N 0 3 308.334 1.441 20 10 DDCDHN COC(=O)c1cn(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])nn1 ZINC000284459236 131082609 /nfs/dbraw/zinc/08/26/09/131082609.db2.gz UYMCERLFGZHZHM-VIFPVBQESA-N 0 3 308.313 1.260 20 10 DDCDHN Cc1cccc(C[NH+]2CCC(C(=O)NCCCO)CC2)c1[O-] ZINC000271709247 407727042 /nfs/dbraw/zinc/72/70/42/407727042.db2.gz GGEJMKHUJNVBTC-UHFFFAOYSA-N 0 3 306.406 1.411 20 10 DDCDHN O=C(CN1CCC[N@@H+](Cc2ccccc2[O-])CC1)N1CCCC1 ZINC000179556627 407807103 /nfs/dbraw/zinc/80/71/03/407807103.db2.gz PCNOMKRKVNYBRP-UHFFFAOYSA-N 0 3 317.433 1.522 20 10 DDCDHN O=C(CN1CCC[N@H+](Cc2ccccc2[O-])CC1)N1CCCC1 ZINC000179556627 407807109 /nfs/dbraw/zinc/80/71/09/407807109.db2.gz PCNOMKRKVNYBRP-UHFFFAOYSA-N 0 3 317.433 1.522 20 10 DDCDHN CSC[C@@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000187712332 407885956 /nfs/dbraw/zinc/88/59/56/407885956.db2.gz VKDHHEFOXLDVFA-INIZCTEOSA-N 0 3 310.463 1.679 20 10 DDCDHN CCCN(Cc1ccccc1O)C(=O)CNC[C@@H]1CCCO1 ZINC000154143259 407981264 /nfs/dbraw/zinc/98/12/64/407981264.db2.gz XYKXXULQOXCMJP-HNNXBMFYSA-N 0 3 306.406 1.899 20 10 DDCDHN Cc1cc(Cl)cc(C[NH2+]CCS(=O)(=O)N(C)C)c1[O-] ZINC000290872726 408847084 /nfs/dbraw/zinc/84/70/84/408847084.db2.gz KHXOLKBQSSCODZ-UHFFFAOYSA-N 0 3 306.815 1.335 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)c([O-])c1 ZINC000277136613 408905785 /nfs/dbraw/zinc/90/57/85/408905785.db2.gz OYFAKJKPEAKDRG-LBPRGKRZSA-N 0 3 315.439 1.184 20 10 DDCDHN CCOCc1cc(CNC[C@H]2CC[C@@H](CO)O2)ccc1OC ZINC000292692232 409039704 /nfs/dbraw/zinc/03/97/04/409039704.db2.gz NOCOAIJEMUFALV-CVEARBPZSA-N 0 3 309.406 1.861 20 10 DDCDHN COc1ccc(O)c(CN[C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000290262381 409340495 /nfs/dbraw/zinc/34/04/95/409340495.db2.gz WUYVDCZRGTXGEY-RHSMWYFYSA-N 0 3 301.342 1.985 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000290262381 409340499 /nfs/dbraw/zinc/34/04/99/409340499.db2.gz WUYVDCZRGTXGEY-RHSMWYFYSA-N 0 3 301.342 1.985 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C2(CO)CCOCC2)c1[O-] ZINC000230934546 222207147 /nfs/dbraw/zinc/20/71/47/222207147.db2.gz VTPRXJMENUFYAE-UHFFFAOYSA-N 0 3 301.770 1.685 20 10 DDCDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCc1ccc(N)cc1 ZINC000372572130 418884589 /nfs/dbraw/zinc/88/45/89/418884589.db2.gz OFKSTOHAEQJICZ-RKVPGOIHSA-N 0 3 317.433 1.460 20 10 DDCDHN COc1cccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1[O-] ZINC000285502659 295298951 /nfs/dbraw/zinc/29/89/51/295298951.db2.gz NHPSBIXAOMYYSQ-UHFFFAOYSA-N 0 3 319.361 1.011 20 10 DDCDHN COCCN(CCOC)Cc1ccc(N2CCOCC2)cc1 ZINC000158198347 696987510 /nfs/dbraw/zinc/98/75/10/696987510.db2.gz GKCOCDQHSTXGTM-UHFFFAOYSA-N 0 3 308.422 1.618 20 10 DDCDHN [NH3+]C[C@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000229019487 697777240 /nfs/dbraw/zinc/77/72/40/697777240.db2.gz CRTIZANZVAJHJO-NSHDSACASA-N 0 3 301.184 1.314 20 10 DDCDHN C[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1ccc(N(C)C)cc1 ZINC000775406965 697993922 /nfs/dbraw/zinc/99/39/22/697993922.db2.gz QMRGNJOSPCFHQB-YOEHRIQHSA-N 0 3 316.449 1.320 20 10 DDCDHN COc1cc(CN2CCN(CC(C)(C)O)C[C@H]2C)c(O)cc1C ZINC000249086530 698387080 /nfs/dbraw/zinc/38/70/80/698387080.db2.gz FTGMPDBLIKUYEG-CQSZACIVSA-N 0 3 322.449 1.986 20 10 DDCDHN C[C@@H]1C(=O)N(C)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000779199990 698401396 /nfs/dbraw/zinc/40/13/96/698401396.db2.gz OVUBDTKLKXLITM-OAHLLOKOSA-N 0 3 316.449 1.101 20 10 DDCDHN CCOc1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c([O-])c1 ZINC000784619994 699031317 /nfs/dbraw/zinc/03/13/17/699031317.db2.gz AZKKYNUVBZURIH-CQSZACIVSA-N 0 3 313.419 1.848 20 10 DDCDHN CCn1cccc(CNCc2cc(OC)c(OC)cc2O)c1=O ZINC000789752880 699406557 /nfs/dbraw/zinc/40/65/57/699406557.db2.gz VIXHMTQWFKGBFK-UHFFFAOYSA-N 0 3 318.373 1.881 20 10 DDCDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768438521 701176826 /nfs/dbraw/zinc/17/68/26/701176826.db2.gz SYSGOFRZDXMODA-ABAIWWIYSA-N 0 3 321.373 1.593 20 10 DDCDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768438521 701176827 /nfs/dbraw/zinc/17/68/27/701176827.db2.gz SYSGOFRZDXMODA-ABAIWWIYSA-N 0 3 321.373 1.593 20 10 DDCDHN C[C@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000816897777 702212278 /nfs/dbraw/zinc/21/22/78/702212278.db2.gz MEECDPZOXOKJAR-HNNXBMFYSA-N 0 3 317.433 1.481 20 10 DDCDHN Cc1cc(O)c(CN2CCC(NS(C)(=O)=O)CC2)cc1C ZINC000813147974 702305139 /nfs/dbraw/zinc/30/51/39/702305139.db2.gz KHEGRMPEHKEBOG-UHFFFAOYSA-N 0 3 312.435 1.523 20 10 DDCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCC(=O)N(C)C2=O)cc1 ZINC000818361528 702640229 /nfs/dbraw/zinc/64/02/29/702640229.db2.gz KSRDHYMQGANAKO-IUODEOHRSA-N 0 3 303.406 1.941 20 10 DDCDHN CCOc1ccc(O)c(CN2C[C@H](O)C[C@@H](C(=O)OC)C2)c1 ZINC000843433670 702881238 /nfs/dbraw/zinc/88/12/38/702881238.db2.gz COKIDVYKNNDNNI-CHWSQXEVSA-N 0 3 309.362 1.147 20 10 DDCDHN C[C@H](N[C@@H]1COCC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000866497529 706713882 /nfs/dbraw/zinc/71/38/82/706713882.db2.gz IANCHKUKAOVVQZ-XGWLTEMNSA-N 0 3 324.396 1.463 20 10 DDCDHN O=C(NCc1cc(Cl)ccc1O)[C@H]1CN2CCN1CCC2 ZINC000846475800 703280822 /nfs/dbraw/zinc/28/08/22/703280822.db2.gz JTOYZVUBWOCVHH-CYBMUJFWSA-N 0 3 309.797 1.052 20 10 DDCDHN COc1cc(Br)cc(CN[C@H]2CCNC2=O)c1O ZINC000850344151 703725551 /nfs/dbraw/zinc/72/55/51/703725551.db2.gz XXFBRLSWSBOKTL-VIFPVBQESA-N 0 3 315.167 1.141 20 10 DDCDHN C[C@H]1CC[C@H](NCc2cc3c(cc2O)OCO3)CS1(=O)=O ZINC000850368038 703727786 /nfs/dbraw/zinc/72/77/86/703727786.db2.gz HRIXLNMDMGKJQU-ONGXEEELSA-N 0 3 313.375 1.176 20 10 DDCDHN COC(=O)CCN1CCC[C@@H](N(C)Cc2ccccc2O)C1=O ZINC000851841046 703868268 /nfs/dbraw/zinc/86/82/68/703868268.db2.gz MLXBDMHDVGRSAY-CQSZACIVSA-N 0 3 320.389 1.378 20 10 DDCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000858305678 704692402 /nfs/dbraw/zinc/69/24/02/704692402.db2.gz AZIADQYPNDPHSY-KRWDZBQOSA-N 0 3 313.401 1.778 20 10 DDCDHN C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1[O-] ZINC000858489215 704717525 /nfs/dbraw/zinc/71/75/25/704717525.db2.gz WMNMVPARMOWPEH-STQMWFEESA-N 0 3 324.388 1.759 20 10 DDCDHN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1nc(N)nc(N)n1 ZINC000858573153 704728925 /nfs/dbraw/zinc/72/89/25/704728925.db2.gz ZRATXUSPSZSCTD-JTQLQIEISA-N 0 3 301.398 1.454 20 10 DDCDHN CN1C[C@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC000823101994 705140142 /nfs/dbraw/zinc/14/01/42/705140142.db2.gz XYGJWUTUMMXMLC-DGCLKSJQSA-N 0 3 301.350 1.625 20 10 DDCDHN CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000862551776 705731595 /nfs/dbraw/zinc/73/15/95/705731595.db2.gz PTFLSBUVLZASQH-NSHDSACASA-N 0 3 316.398 1.293 20 10 DDCDHN CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000862551776 705731597 /nfs/dbraw/zinc/73/15/97/705731597.db2.gz PTFLSBUVLZASQH-NSHDSACASA-N 0 3 316.398 1.293 20 10 DDCDHN Cc1cccc(CNCCS(=O)(=O)CC(F)(F)F)c1O ZINC000827047738 705917473 /nfs/dbraw/zinc/91/74/73/705917473.db2.gz IBOBULKKHYTVEH-UHFFFAOYSA-N 0 3 311.325 1.767 20 10 DDCDHN CCCNC(=O)CN1CCC([NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000876931020 705928817 /nfs/dbraw/zinc/92/88/17/705928817.db2.gz SINPSLQYQRRIFV-UHFFFAOYSA-N 0 3 319.449 1.781 20 10 DDCDHN Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c([O-])c1 ZINC000877092842 705981065 /nfs/dbraw/zinc/98/10/65/705981065.db2.gz LKOHOVVZCBZPSM-UHFFFAOYSA-N 0 3 324.446 1.747 20 10 DDCDHN C[C@H](NC(=O)[C@@H](N)C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000827725399 706057370 /nfs/dbraw/zinc/05/73/70/706057370.db2.gz HQPDXQLKGSFRDP-GUYCJALGSA-N 0 3 317.433 1.828 20 10 DDCDHN CCOC(=O)[C@@]1(C[NH2+]Cc2c([O-])cccc2OC)CCCOC1 ZINC000877698368 706181751 /nfs/dbraw/zinc/18/17/51/706181751.db2.gz KLEOROMGPYARBW-QGZVFWFLSA-N 0 3 323.389 1.850 20 10 DDCDHN COc1cc(O)c(CNC2CN(c3ccncn3)C2)cc1OC ZINC000877702308 706182293 /nfs/dbraw/zinc/18/22/93/706182293.db2.gz PDLHEUJUZHDOGX-UHFFFAOYSA-N 0 3 316.361 1.178 20 10 DDCDHN COc1ccc(O)c([C@H](C)NC(=O)CNC[C@@H]2CCCO2)c1 ZINC000828667977 706214692 /nfs/dbraw/zinc/21/46/92/706214692.db2.gz XLBXMAMHDMUEDH-AAEUAGOBSA-N 0 3 308.378 1.347 20 10 DDCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000897043866 708214401 /nfs/dbraw/zinc/21/44/01/708214401.db2.gz VZAKATUHUMTCSE-CYBMUJFWSA-N 0 3 304.390 1.164 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)c1[O-] ZINC000897347975 708300905 /nfs/dbraw/zinc/30/09/05/708300905.db2.gz YMRJINRWMBMANQ-LLVKDONJSA-N 0 3 322.796 1.830 20 10 DDCDHN COC/C=C/C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246448 710140535 /nfs/dbraw/zinc/14/05/35/710140535.db2.gz NWQXVWSCSXMSIY-FYCOFBDGSA-N 0 3 305.422 1.674 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCOC2)N(C)C)cc1 ZINC000893814837 710840301 /nfs/dbraw/zinc/84/03/01/710840301.db2.gz XWSYKKOYDKYZDY-HOCLYGCPSA-N 0 3 320.437 1.443 20 10 DDCDHN C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cc(F)ccc1[O-] ZINC000903431798 711124836 /nfs/dbraw/zinc/12/48/36/711124836.db2.gz BFLWGFPVQOOUNF-JTQLQIEISA-N 0 3 307.325 1.535 20 10 DDCDHN Cc1nc([C@H]2CCN(Cc3cc4c(cc3O)OCO4)C2)no1 ZINC000905685843 712118013 /nfs/dbraw/zinc/11/80/13/712118013.db2.gz ZZPJDLMOZJYDRW-JTQLQIEISA-N 0 3 303.318 1.802 20 10 DDCDHN CN1CCC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000925297613 714798529 /nfs/dbraw/zinc/79/85/29/714798529.db2.gz LBXAOLKXCRYPDF-ZDUSSCGKSA-N 0 3 303.362 1.251 20 10 DDCDHN CCN1CC([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970953746 721006963 /nfs/dbraw/zinc/00/69/63/721006963.db2.gz IGNFFXNXPFMKNU-SNVBAGLBSA-N 0 3 303.366 1.919 20 10 DDCDHN C[C@H]([NH3+])[C@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000220329432 749583753 /nfs/dbraw/zinc/58/37/53/749583753.db2.gz RVNHFXVUTFTREE-TVQRCGJNSA-N 0 3 315.211 1.703 20 10 DDCDHN CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)CO1 ZINC001169407262 762400254 /nfs/dbraw/zinc/40/02/54/762400254.db2.gz AWJQLUMUAFZBKA-XJKSGUPXSA-N 0 3 305.374 1.861 20 10 DDCDHN CCOC(=O)[C@H]1CC[C@H]([N@H+]2CCc3cccc([O-])c3C2)CO1 ZINC001169407262 762400259 /nfs/dbraw/zinc/40/02/59/762400259.db2.gz AWJQLUMUAFZBKA-XJKSGUPXSA-N 0 3 305.374 1.861 20 10 DDCDHN COc1cc(/C=C/C(=O)N2C[C@H]3CC[C@@H](C2)N3C)cc(O)c1O ZINC001272907350 847617949 /nfs/dbraw/zinc/61/79/49/847617949.db2.gz DPODDUIQELUXOR-IPBFNNSJSA-N 0 3 318.373 1.425 20 10 DDCDHN CN1CCOc2cc(CN3CCN(CC(C)(C)O)CC3)ccc21 ZINC001141146624 860795119 /nfs/dbraw/zinc/79/51/19/860795119.db2.gz ZYODCZFOMWHFRR-UHFFFAOYSA-N 0 3 319.449 1.404 20 10 DDCDHN CN1CCOc2cc(CN3CCC4(CNC(=O)N4)CC3)ccc21 ZINC001141144845 860795191 /nfs/dbraw/zinc/79/51/91/860795191.db2.gz MPFHJBJWRHQBHP-UHFFFAOYSA-N 0 3 316.405 1.163 20 10 DDCDHN CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])O1 ZINC001203555642 870639637 /nfs/dbraw/zinc/63/96/37/870639637.db2.gz FZBSUVMZQRTECZ-BMFZPTHFSA-N 0 3 304.390 1.649 20 10 DDCDHN CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])O1 ZINC001203555642 870639641 /nfs/dbraw/zinc/63/96/41/870639641.db2.gz FZBSUVMZQRTECZ-BMFZPTHFSA-N 0 3 304.390 1.649 20 10 DDCDHN COCC(=O)N[C@@H]1CCCN(Cc2cc(OC)ccc2O)C1 ZINC001203681096 870708509 /nfs/dbraw/zinc/70/85/09/870708509.db2.gz PBNRBLVPWCHTDK-CYBMUJFWSA-N 0 3 308.378 1.128 20 10 DDCDHN CN(C)c1ccc(CN2CCC(N3CCOCC3=O)CC2)cc1 ZINC001203937111 870843788 /nfs/dbraw/zinc/84/37/88/870843788.db2.gz LCKATRYXRIKVEP-UHFFFAOYSA-N 0 3 317.433 1.576 20 10 DDCDHN OCCCN1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204323255 871055885 /nfs/dbraw/zinc/05/58/85/871055885.db2.gz GNNZHUUBTXYZGM-UHFFFAOYSA-N 0 3 303.450 1.787 20 10 DDCDHN [O-]c1cc(F)c(F)cc1CN1CC[NH+](CCCCO)CC1 ZINC001204875949 871272615 /nfs/dbraw/zinc/27/26/15/871272615.db2.gz STULKDDKLPCGJA-UHFFFAOYSA-N 0 3 300.349 1.561 20 10 DDCDHN CC[C@H](C)C[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001341554934 871712014 /nfs/dbraw/zinc/71/20/14/871712014.db2.gz GRQZWTBBMRIUCT-WMLDXEAASA-N 0 3 319.449 1.903 20 10 DDCDHN CCn1cc(CNCc2ccc(N(C)C)cc2C)c(=O)[nH]c1=O ZINC001207858341 873616781 /nfs/dbraw/zinc/61/67/81/873616781.db2.gz LXMLIKQTOIZFPI-UHFFFAOYSA-N 0 3 316.405 1.633 20 10 DDCDHN COc1cccc(CN2CC3(C2)SCC[C@H]3C(N)=O)c1O ZINC001277452579 884414940 /nfs/dbraw/zinc/41/49/40/884414940.db2.gz WKOOZTAHTUVADK-NSHDSACASA-N 0 3 308.403 1.194 20 10 DDCDHN COC(=O)c1c(CN2CC[C@@](C)(O)C2)c2ccccc2n1C ZINC001232402790 886336709 /nfs/dbraw/zinc/33/67/09/886336709.db2.gz PTQWNTVVFDMPQX-QGZVFWFLSA-N 0 3 302.374 1.922 20 10 DDCDHN COC(=O)c1c(CN2CC[C@H](CO)C2)c2ccccc2n1C ZINC001232407528 886340675 /nfs/dbraw/zinc/34/06/75/886340675.db2.gz QJNIGMHOIJPZKJ-LBPRGKRZSA-N 0 3 302.374 1.779 20 10 DDCDHN O=C(C1CCN(Cc2cc(O)c(O)cc2O)CC1)N1CCCC1 ZINC001233485488 887018287 /nfs/dbraw/zinc/01/82/87/887018287.db2.gz XRBVCPLFMYFONI-UHFFFAOYSA-N 0 3 320.389 1.638 20 10 DDCDHN COC(=O)[C@@H]1CNCCN1Cc1ccc(N2CCCCC2)cc1 ZINC001236055741 889085772 /nfs/dbraw/zinc/08/57/72/889085772.db2.gz UIVBKIQFEZJBOV-KRWDZBQOSA-N 0 3 317.433 1.624 20 10 DDCDHN CCc1ccc(C[NH+]2CCC3(CC2)CC(=O)NC(=O)C3)c([O-])c1 ZINC001236791529 889357341 /nfs/dbraw/zinc/35/73/41/889357341.db2.gz ILBMKQXUQPMWAZ-UHFFFAOYSA-N 0 3 316.401 1.973 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c([O-])c1 ZINC001249177556 893856437 /nfs/dbraw/zinc/85/64/37/893856437.db2.gz DIYQTCKNDJWWPA-OKILXGFUSA-N 0 3 303.358 1.804 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c([O-])c1 ZINC001249177556 893856451 /nfs/dbraw/zinc/85/64/51/893856451.db2.gz DIYQTCKNDJWWPA-OKILXGFUSA-N 0 3 303.358 1.804 20 10 DDCDHN C[NH+](C)CCn1cc(NC(=O)NCc2c([O-])cccc2F)cn1 ZINC001262274685 900065992 /nfs/dbraw/zinc/06/59/92/900065992.db2.gz GNJFGZDSERUTCS-UHFFFAOYSA-N 0 3 321.356 1.611 20 10 DDCDHN CSCC[C@@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001263103353 900499976 /nfs/dbraw/zinc/49/99/76/900499976.db2.gz WWPWAHBYIVMMMG-GFCCVEGCSA-N 0 3 309.435 1.558 20 10 DDCDHN COc1ccc(CN[C@H](CO)CNC(=O)C2(C)CCC2)cc1C ZINC001283791320 907967555 /nfs/dbraw/zinc/96/75/55/907967555.db2.gz FGTMMKSMWXFAOL-HNNXBMFYSA-N 0 3 320.433 1.761 20 10 DDCDHN COc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000092105632 353844496 /nfs/dbraw/zinc/84/44/96/353844496.db2.gz DBIHNKMCWGYSNB-KGLIPLIRSA-N 0 3 304.390 1.891 20 10 DDCDHN COc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000092105632 353844498 /nfs/dbraw/zinc/84/44/98/353844498.db2.gz DBIHNKMCWGYSNB-KGLIPLIRSA-N 0 3 304.390 1.891 20 10 DDCDHN [O-]c1c(F)cccc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000272224707 130008883 /nfs/dbraw/zinc/00/88/83/130008883.db2.gz CQMDHMPJMYLDEF-UHFFFAOYSA-N 0 3 307.413 1.745 20 10 DDCDHN CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2[O-])C1 ZINC000186109660 407578094 /nfs/dbraw/zinc/57/80/94/407578094.db2.gz WYWTXATZNCMLAV-NEPJUHHUSA-N 0 3 307.394 1.855 20 10 DDCDHN C[C@H](O)[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000183202064 408352418 /nfs/dbraw/zinc/35/24/18/408352418.db2.gz QLNGFOLYASSYBJ-HOCLYGCPSA-N 0 3 319.449 1.414 20 10 DDCDHN COCCN1CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000264543482 408529582 /nfs/dbraw/zinc/52/95/82/408529582.db2.gz BFQYLKUYNYLPFS-OAHLLOKOSA-N 0 3 320.437 1.273 20 10 DDCDHN COC[C@@H](CO)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000280969335 408866636 /nfs/dbraw/zinc/86/66/36/408866636.db2.gz LECGSBCVGOPIMB-TZMCWYRMSA-N 0 3 312.385 1.320 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)C2CCOCC2)cc1 ZINC000282769563 409063750 /nfs/dbraw/zinc/06/37/50/409063750.db2.gz NYQVCKWZNFAPLR-QGZVFWFLSA-N 0 3 319.449 1.903 20 10 DDCDHN CN(CCN1CCOC(C)(C)C1)Cc1cc2c(cc1O)OCO2 ZINC000278990475 409126896 /nfs/dbraw/zinc/12/68/96/409126896.db2.gz AMDXQGUDZUGKRF-UHFFFAOYSA-N 0 3 322.405 1.664 20 10 DDCDHN CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc5c(cc4[O-])OCO5)[C@H]1[C@H]3C2 ZINC000289721786 409285960 /nfs/dbraw/zinc/28/59/60/409285960.db2.gz PHESTSDPGUYCPC-YOCWQBDXSA-N 0 3 303.358 1.976 20 10 DDCDHN CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc5c(cc4[O-])OCO5)[C@H]1[C@H]3C2 ZINC000289721786 409285961 /nfs/dbraw/zinc/28/59/61/409285961.db2.gz PHESTSDPGUYCPC-YOCWQBDXSA-N 0 3 303.358 1.976 20 10 DDCDHN CCOc1cccc(C[NH2+][C@@H]2CCCN(CCCO)C2)c1[O-] ZINC000295111463 409325618 /nfs/dbraw/zinc/32/56/18/409325618.db2.gz LSVVJBGGDARRDQ-OAHLLOKOSA-N 0 3 308.422 1.727 20 10 DDCDHN Cc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c(O)c1O ZINC000295773680 409368507 /nfs/dbraw/zinc/36/85/07/409368507.db2.gz XDCNZJGLFHCLNY-LLVKDONJSA-N 0 3 304.390 1.963 20 10 DDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1COC3(CCOCC3)O1)CC2 ZINC000296726443 409633249 /nfs/dbraw/zinc/63/32/49/409633249.db2.gz IUGQIIJMEJUMBH-ZIAGYGMSSA-N 0 3 305.374 1.891 20 10 DDCDHN CCN(C)C(=O)CNC1CCN(c2ccc(OC)cc2)CC1 ZINC000373461853 418431891 /nfs/dbraw/zinc/43/18/91/418431891.db2.gz XIUTWNDMJPHNKP-UHFFFAOYSA-N 0 3 305.422 1.732 20 10 DDCDHN COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cccc(C)c3[O-])C2)nn1 ZINC000363907320 418771109 /nfs/dbraw/zinc/77/11/09/418771109.db2.gz KYLUCKPDILEREI-CYBMUJFWSA-N 0 3 316.361 1.526 20 10 DDCDHN COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cccc(C)c3[O-])C2)nn1 ZINC000363907320 418771111 /nfs/dbraw/zinc/77/11/11/418771111.db2.gz KYLUCKPDILEREI-CYBMUJFWSA-N 0 3 316.361 1.526 20 10 DDCDHN CC(C)CN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180604669 519722955 /nfs/dbraw/zinc/72/29/55/519722955.db2.gz SWQSTNSSGLAHCV-GQCTYLIASA-N 0 3 304.390 1.911 20 10 DDCDHN CCN(CC)CC(=O)N1CCN(Cc2cccc(C)c2O)CC1 ZINC000180032485 520575244 /nfs/dbraw/zinc/57/52/44/520575244.db2.gz MTKLDKZLTWXDMF-UHFFFAOYSA-N 0 3 319.449 1.687 20 10 DDCDHN CCNS(=O)(=O)[C@H]1CCN(Cc2cc(C)cc(C)c2O)C1 ZINC000092303921 696593701 /nfs/dbraw/zinc/59/37/01/696593701.db2.gz RDIYJOAWQCDJCA-AWEZNQCLSA-N 0 3 312.435 1.523 20 10 DDCDHN CNS(=O)(=O)[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000749793557 700185181 /nfs/dbraw/zinc/18/51/81/700185181.db2.gz UCYBNBUDBNDMGM-CQSZACIVSA-N 0 3 310.419 1.004 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC(=O)NCC(C)C)c1 ZINC000775373022 697989863 /nfs/dbraw/zinc/98/98/63/697989863.db2.gz LHPUBEQNMKKOQP-LLVKDONJSA-N 0 3 323.393 1.533 20 10 DDCDHN CNS(=O)(=O)C[C@@H]1CCCN1Cc1cc2c(cc1O)CCC2 ZINC000749972728 700195889 /nfs/dbraw/zinc/19/58/89/700195889.db2.gz UOYYYKFIGXZPOG-HNNXBMFYSA-N 0 3 324.446 1.395 20 10 DDCDHN C[C@@H]1CN(C)C(=O)CN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000783731023 698871592 /nfs/dbraw/zinc/87/15/92/698871592.db2.gz XNVRFFXWFDFFNW-OAHLLOKOSA-N 0 3 316.449 1.101 20 10 DDCDHN [NH3+]CC1(O)CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000397078044 699114285 /nfs/dbraw/zinc/11/42/85/699114285.db2.gz PIEYLZLOWDXPKT-UHFFFAOYSA-N 0 3 305.205 1.985 20 10 DDCDHN CCN1CC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000802317987 700395069 /nfs/dbraw/zinc/39/50/69/700395069.db2.gz KSUYVTQSISNZLQ-YOEHRIQHSA-N 0 3 317.433 1.795 20 10 DDCDHN C[C@@H](N[C@H]1CC(=O)N(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765596796 701020609 /nfs/dbraw/zinc/02/06/09/701020609.db2.gz YGGRARVFSFVGGK-OCCSQVGLSA-N 0 3 321.396 1.544 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]3COCC[C@H]31)[C@@H](O)CO2 ZINC000768463675 701179707 /nfs/dbraw/zinc/17/97/07/701179707.db2.gz LDXMEBZLTBXZDR-XFJVYGCCSA-N 0 3 305.374 1.819 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]3COCC[C@H]31)[C@@H](O)CO2 ZINC000768463675 701179709 /nfs/dbraw/zinc/17/97/09/701179709.db2.gz LDXMEBZLTBXZDR-XFJVYGCCSA-N 0 3 305.374 1.819 20 10 DDCDHN CC(C)N(CC(=O)N1CCNC1=O)Cc1ccc(N(C)C)cc1 ZINC000771791332 701330672 /nfs/dbraw/zinc/33/06/72/701330672.db2.gz NONKGEMZCRSBCR-UHFFFAOYSA-N 0 3 318.421 1.515 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN(C)[C@@H]2CCCC[C@H]2O)cc1 ZINC000879142641 706597911 /nfs/dbraw/zinc/59/79/11/706597911.db2.gz YTHZEZKOPVQEPY-IAGOWNOFSA-N 0 3 319.449 1.604 20 10 DDCDHN Cc1cnn([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)c1 ZINC000811802133 702063113 /nfs/dbraw/zinc/06/31/13/702063113.db2.gz XKYUMJUCMRUGIB-CZUORRHYSA-N 0 3 315.373 1.770 20 10 DDCDHN Cc1cnn([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)c1 ZINC000811802133 702063119 /nfs/dbraw/zinc/06/31/19/702063119.db2.gz XKYUMJUCMRUGIB-CZUORRHYSA-N 0 3 315.373 1.770 20 10 DDCDHN COCC(COC)N1CCN(Cc2cccc(C)c2O)CC1 ZINC000840955196 702292569 /nfs/dbraw/zinc/29/25/69/702292569.db2.gz RVIHWBLZNOFYOZ-UHFFFAOYSA-N 0 3 308.422 1.480 20 10 DDCDHN COC(=O)[C@@H]1CN(C)CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000840956581 702293262 /nfs/dbraw/zinc/29/32/62/702293262.db2.gz ACJOWCPNUNDLMC-CQSZACIVSA-N 0 3 323.412 1.428 20 10 DDCDHN C[C@H](O)[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000840975910 702299183 /nfs/dbraw/zinc/29/91/83/702299183.db2.gz AKAISRHVNGSGDL-YJBOKZPZSA-N 0 3 319.449 1.020 20 10 DDCDHN CCOC(=O)[C@@H]1NCC[C@H]1NCc1ccc(N(CC)CC)cc1 ZINC000817887761 702508883 /nfs/dbraw/zinc/50/88/83/702508883.db2.gz DNJXDFURDMMLHW-IAGOWNOFSA-N 0 3 319.449 1.916 20 10 DDCDHN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)[C@@H](C)CN1CCO ZINC000841892198 702608506 /nfs/dbraw/zinc/60/85/06/702608506.db2.gz UVOCKYOFMWEREO-RYUDHWBXSA-N 0 3 308.378 1.008 20 10 DDCDHN C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CCN(C2CC2)C1 ZINC000841956216 702635045 /nfs/dbraw/zinc/63/50/45/702635045.db2.gz YURQOOGOBSGZDQ-AWEZNQCLSA-N 0 3 316.449 1.937 20 10 DDCDHN CCOc1cccc(CN2CN(CCN(C)C)C(=O)[C@H]2C)c1O ZINC000843427626 702879293 /nfs/dbraw/zinc/87/92/93/702879293.db2.gz AQEQNJMGLQSYIE-CYBMUJFWSA-N 0 3 321.421 1.343 20 10 DDCDHN COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879650046 706749581 /nfs/dbraw/zinc/74/95/81/706749581.db2.gz YXBXKJPTRWSUIK-OCCSQVGLSA-N 0 3 322.405 1.747 20 10 DDCDHN CCc1cccc(CN2CCC[C@@H]2C(=O)NCC(=O)OC)c1O ZINC000848918213 703603359 /nfs/dbraw/zinc/60/33/59/703603359.db2.gz SHZSEEHLLLLCKF-CQSZACIVSA-N 0 3 320.389 1.208 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)c([O-])c1 ZINC000850369307 703728010 /nfs/dbraw/zinc/72/80/10/703728010.db2.gz UQEBIHNDYDMHKR-WCQYABFASA-N 0 3 313.419 1.846 20 10 DDCDHN C[C@H](O)[C@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852558588 704074833 /nfs/dbraw/zinc/07/48/33/704074833.db2.gz CSKVLOLJKKOFOQ-WMLDXEAASA-N 0 3 319.449 1.556 20 10 DDCDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000858498397 704718723 /nfs/dbraw/zinc/71/87/23/704718723.db2.gz OXMVHZMOJYZZEH-MGPQQGTHSA-N 0 3 324.446 1.830 20 10 DDCDHN COC(=O)[C@]1(OC)CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000859557277 704937289 /nfs/dbraw/zinc/93/72/89/704937289.db2.gz SMIPIILOTNOWSA-KRWDZBQOSA-N 0 3 306.406 1.825 20 10 DDCDHN Cc1ccc(O)c(CNC(=O)Nc2ccnn2CCN(C)C)c1 ZINC000861147114 705382524 /nfs/dbraw/zinc/38/25/24/705382524.db2.gz MMYIZAHGUKNNJK-UHFFFAOYSA-N 0 3 317.393 1.780 20 10 DDCDHN COc1cc(CN2CC[C@H](O)[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000826123548 705775351 /nfs/dbraw/zinc/77/53/51/705775351.db2.gz QGSVRABTJSQWMO-BBRMVZONSA-N 0 3 323.433 1.873 20 10 DDCDHN CN1CCC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C1=O ZINC000877079701 705978192 /nfs/dbraw/zinc/97/81/92/705978192.db2.gz JJUCPGSDBPFHAX-QGZVFWFLSA-N 0 3 317.433 1.358 20 10 DDCDHN C[C@H]1CC(=O)NCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877530032 706133130 /nfs/dbraw/zinc/13/31/30/706133130.db2.gz BWAKNAGGIMVTEF-AWEZNQCLSA-N 0 3 317.433 1.358 20 10 DDCDHN CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C(=O)NC ZINC000877575691 706147275 /nfs/dbraw/zinc/14/72/75/706147275.db2.gz BNOMBQIMLHNCSJ-MRXNPFEDSA-N 0 3 305.422 1.262 20 10 DDCDHN CCOc1ccc(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c([O-])c1 ZINC000877668224 706174906 /nfs/dbraw/zinc/17/49/06/706174906.db2.gz HJQNRNGFRIBMGM-IRXDYDNUSA-N 0 3 318.373 1.276 20 10 DDCDHN CN(C)c1ccc(/C=C\CNC[C@@H]2CCCS2(=O)=O)cc1 ZINC000835041879 707161523 /nfs/dbraw/zinc/16/15/23/707161523.db2.gz OUBLPCAJWXBJID-IMMZDGJCSA-N 0 3 308.447 1.933 20 10 DDCDHN Cc1ccc(C[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c(O)c1 ZINC000898150389 708557536 /nfs/dbraw/zinc/55/75/36/708557536.db2.gz VULIECPSYKJYOB-CYBMUJFWSA-N 0 3 300.362 1.565 20 10 DDCDHN CC[C@@H](O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899097795 708982304 /nfs/dbraw/zinc/98/23/04/708982304.db2.gz GYPKUOOKKFYZJJ-CVEARBPZSA-N 0 3 322.453 1.425 20 10 DDCDHN CC[C@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184373 709318975 /nfs/dbraw/zinc/31/89/75/709318975.db2.gz BBBRLQLGQSHNNQ-HUUCEWRRSA-N 0 3 318.421 1.686 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(C)COC2)N(C)C)cc1 ZINC000891246715 710140571 /nfs/dbraw/zinc/14/05/71/710140571.db2.gz CHFGZFVKOCUJRZ-OAHLLOKOSA-N 0 3 305.422 1.508 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cncn2C)N(C)C)cc1 ZINC000891248993 710141311 /nfs/dbraw/zinc/14/13/11/710141311.db2.gz ORONIUPJWQYDSW-OAHLLOKOSA-N 0 3 315.421 1.519 20 10 DDCDHN CO[C@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254964 710142993 /nfs/dbraw/zinc/14/29/93/710142993.db2.gz LFAOBEJKHALBBM-CZUORRHYSA-N 0 3 307.438 1.897 20 10 DDCDHN CCOCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254155 710143179 /nfs/dbraw/zinc/14/31/79/710143179.db2.gz WNAWUDIUPSLWKL-INIZCTEOSA-N 0 3 307.438 1.898 20 10 DDCDHN CN(C)c1ccc(CNC(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000891606215 710246744 /nfs/dbraw/zinc/24/67/44/710246744.db2.gz HPZHITVHKBLQGT-INIZCTEOSA-N 0 3 304.438 1.988 20 10 DDCDHN C[C@@H](CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893105514 710555524 /nfs/dbraw/zinc/55/55/24/710555524.db2.gz UIUWACJLCJTCRV-XJKSGUPXSA-N 0 3 322.453 1.425 20 10 DDCDHN Cc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000903046114 711014329 /nfs/dbraw/zinc/01/43/29/711014329.db2.gz OSFNPILOMYWPHM-AWEZNQCLSA-N 0 3 317.393 1.477 20 10 DDCDHN CN(C)c1ccc(CN[C@H]2C(=O)NCC23CCOCC3)cc1F ZINC000895772308 711602392 /nfs/dbraw/zinc/60/23/92/711602392.db2.gz CYYVKGSMVXUOEL-HNNXBMFYSA-N 0 3 321.396 1.277 20 10 DDCDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccccc2[O-])cn1 ZINC000922528641 714079338 /nfs/dbraw/zinc/07/93/38/714079338.db2.gz RGIGSJPFDSWHDP-PBHICJAKSA-N 0 3 314.389 1.718 20 10 DDCDHN COCNC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001198861046 747633326 /nfs/dbraw/zinc/63/33/26/747633326.db2.gz PLHWFQKBFRFJBV-UHFFFAOYSA-N 0 3 309.435 1.425 20 10 DDCDHN C[C@@H](O)CN1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016385392 756979601 /nfs/dbraw/zinc/97/96/01/756979601.db2.gz SGXUSGCDPFMGOT-ZWNOBZJWSA-N 0 3 319.365 1.034 20 10 DDCDHN Cc1cnccc1Nc1cc(S(=O)(=O)N(C)C)ccc1O ZINC001174539253 777501979 /nfs/dbraw/zinc/50/19/79/777501979.db2.gz ZVHDRVHEKXTJNI-UHFFFAOYSA-N 0 3 307.375 1.511 20 10 DDCDHN CC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618043 846415716 /nfs/dbraw/zinc/41/57/16/846415716.db2.gz ALGWFZCSDAOISS-ACJLOTCBSA-N 0 3 316.401 1.794 20 10 DDCDHN CC(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618043 846415720 /nfs/dbraw/zinc/41/57/20/846415720.db2.gz ALGWFZCSDAOISS-ACJLOTCBSA-N 0 3 316.401 1.794 20 10 DDCDHN CN(C)c1cc(F)c(CNCC(C)(C)OCCO)cc1F ZINC001329008753 863414748 /nfs/dbraw/zinc/41/47/48/863414748.db2.gz LZLAOGYOLLMHIP-UHFFFAOYSA-N 0 3 302.365 1.908 20 10 DDCDHN COC(=O)[C@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775648090 881395963 /nfs/dbraw/zinc/39/59/63/881395963.db2.gz QLWNZCCWVDWUNY-QGZVFWFLSA-N 0 3 317.433 1.576 20 10 DDCDHN C[C@]1(O)COCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138494991 860119795 /nfs/dbraw/zinc/11/97/95/860119795.db2.gz ANGDBBVHMNTJEE-QGZVFWFLSA-N 0 3 306.406 1.106 20 10 DDCDHN Cc1ccc(C[NH+]2CCC(OCC(=O)NC3CC3)CC2)c([O-])c1 ZINC001140958253 860745992 /nfs/dbraw/zinc/74/59/92/860745992.db2.gz WBZYXWFQSAUGFQ-UHFFFAOYSA-N 0 3 318.417 1.960 20 10 DDCDHN COc1cc(O)c(CN2CCC[C@@H](n3ccnn3)C2)c(OC)c1 ZINC001141030805 860766605 /nfs/dbraw/zinc/76/66/05/860766605.db2.gz LYHYCFDLCXFNBF-GFCCVEGCSA-N 0 3 318.377 1.838 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNCCN1CCCS1(=O)=O ZINC001325242183 867883017 /nfs/dbraw/zinc/88/30/17/867883017.db2.gz OFQIFRXDEWAHIA-UHFFFAOYSA-N 0 3 311.451 1.186 20 10 DDCDHN CN1CCN(c2ccc(CN3CC[C@H](CO)C3)cc2F)CC1 ZINC001341553564 871711621 /nfs/dbraw/zinc/71/16/21/871711621.db2.gz NZDBUGVDGCXAEO-HNNXBMFYSA-N 0 3 307.413 1.392 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)COC(F)F)N(C)C)cc1 ZINC001342706269 872344658 /nfs/dbraw/zinc/34/46/58/872344658.db2.gz BNEHHACZMBLYBG-ZDUSSCGKSA-N 0 3 315.364 1.711 20 10 DDCDHN O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3CC[NH2+]C3)cccc21 ZINC001218176228 877413510 /nfs/dbraw/zinc/41/35/10/877413510.db2.gz GZGNONMMXUWKBZ-JTQLQIEISA-N 0 3 309.321 1.908 20 10 DDCDHN CCN(CC)C(=O)CN1CCCN(Cc2ccc(N)cc2)CC1 ZINC001356083190 878860064 /nfs/dbraw/zinc/86/00/64/878860064.db2.gz MFERKKWZSQLEKU-UHFFFAOYSA-N 0 3 318.465 1.645 20 10 DDCDHN CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001276913542 881067371 /nfs/dbraw/zinc/06/73/71/881067371.db2.gz FGIYZPAGWKYKFW-YWVIFJGQSA-N 0 3 304.390 1.644 20 10 DDCDHN CCC(=O)NC1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231635298 885772385 /nfs/dbraw/zinc/77/23/85/885772385.db2.gz GBZXEVUIOXGOTF-UHFFFAOYSA-N 0 3 308.378 1.597 20 10 DDCDHN Cc1ccc(C[NH2+]C23CC(C(=O)Nc4nnco4)(C2)C3)c([O-])c1 ZINC001277560305 885849585 /nfs/dbraw/zinc/84/95/85/885849585.db2.gz UVKPVGRCUKZMCZ-UHFFFAOYSA-N 0 3 314.345 1.735 20 10 DDCDHN Cc1ccc(CN2CC3(C[C@H]3C(=O)NCC(F)F)C2)c(O)c1 ZINC001277568778 885885145 /nfs/dbraw/zinc/88/51/45/885885145.db2.gz PZSPDVYGSHYNNV-LBPRGKRZSA-N 0 3 310.344 1.904 20 10 DDCDHN Oc1cc(O)c(CN2CC[C@@H](Oc3cccnc3)C2)cc1O ZINC001233485221 887018765 /nfs/dbraw/zinc/01/87/65/887018765.db2.gz NLJZOBYQYRQZMY-CYBMUJFWSA-N 0 3 302.330 1.852 20 10 DDCDHN CN(C)C(=O)C1CN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233760300 887289654 /nfs/dbraw/zinc/28/96/54/887289654.db2.gz DGTJDKYQTASGBL-UHFFFAOYSA-N 0 3 318.295 1.811 20 10 DDCDHN [O-]c1cc(C(F)(F)F)ccc1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234987321 888305240 /nfs/dbraw/zinc/30/52/40/888305240.db2.gz FQNWARQUQINLDM-AWEZNQCLSA-N 0 3 315.339 1.548 20 10 DDCDHN COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001236200847 889140306 /nfs/dbraw/zinc/14/03/06/889140306.db2.gz KVSIWRLJNHTSEZ-QWRGUYRKSA-N 0 3 318.295 1.486 20 10 DDCDHN CCCN(Cc1ccccc1O)C(=O)NCCN(C)CCOC ZINC000066703123 353013066 /nfs/dbraw/zinc/01/30/66/353013066.db2.gz GZOWRKFFFUWHHO-UHFFFAOYSA-N 0 3 323.437 1.892 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](O)Cc1ccccc1)OCO2 ZINC000105492946 194105800 /nfs/dbraw/zinc/10/58/00/194105800.db2.gz ZOXLJAHSMHFSTH-CQSZACIVSA-N 0 3 301.342 1.814 20 10 DDCDHN CC[C@@H](CO)N1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271172690 407553691 /nfs/dbraw/zinc/55/36/91/407553691.db2.gz FZLSDHVOUXQVRL-HNNXBMFYSA-N 0 3 309.429 1.780 20 10 DDCDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000186728565 407759482 /nfs/dbraw/zinc/75/94/82/407759482.db2.gz KKHIAIAJSDBJIF-MAUKXSAKSA-N 0 3 319.449 1.901 20 10 DDCDHN O=C([C@H]1CCCCN1Cc1ccccc1O)N1CCOCC1 ZINC000179569123 407808312 /nfs/dbraw/zinc/80/83/12/407808312.db2.gz IANYUSNNXQKAIV-OAHLLOKOSA-N 0 3 304.390 1.606 20 10 DDCDHN CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179983454 407845734 /nfs/dbraw/zinc/84/57/34/407845734.db2.gz HDQHTSJVENVYKM-HNNXBMFYSA-N 0 3 315.385 1.766 20 10 DDCDHN CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179983454 407845738 /nfs/dbraw/zinc/84/57/38/407845738.db2.gz HDQHTSJVENVYKM-HNNXBMFYSA-N 0 3 315.385 1.766 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1[O-] ZINC000280888606 408853595 /nfs/dbraw/zinc/85/35/95/408853595.db2.gz OXAWDAVULJJCLO-PWSUYJOCSA-N 0 3 315.797 1.789 20 10 DDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293775958 409178295 /nfs/dbraw/zinc/17/82/95/409178295.db2.gz YYHBBTUHOXSWRM-AWEZNQCLSA-N 0 3 306.341 1.452 20 10 DDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293775958 409178298 /nfs/dbraw/zinc/17/82/98/409178298.db2.gz YYHBBTUHOXSWRM-AWEZNQCLSA-N 0 3 306.341 1.452 20 10 DDCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)cc1OC ZINC000279769715 409248404 /nfs/dbraw/zinc/24/84/04/409248404.db2.gz KDGKINLOOWHDGN-ZDUSSCGKSA-N 0 3 322.405 1.758 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000361014128 418565911 /nfs/dbraw/zinc/56/59/11/418565911.db2.gz XXPVFOYFXYJFEP-CQSZACIVSA-N 0 3 316.405 1.893 20 10 DDCDHN O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)CN1 ZINC000361099192 418582790 /nfs/dbraw/zinc/58/27/90/418582790.db2.gz BLWAISMSIJGESU-AAEUAGOBSA-N 0 3 318.373 1.612 20 10 DDCDHN O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)CN1 ZINC000361099192 418582793 /nfs/dbraw/zinc/58/27/93/418582793.db2.gz BLWAISMSIJGESU-AAEUAGOBSA-N 0 3 318.373 1.612 20 10 DDCDHN CC[C@@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1ccccc1[O-] ZINC000192753125 222134129 /nfs/dbraw/zinc/13/41/29/222134129.db2.gz QKXGKHWEFXFSIQ-OAHLLOKOSA-N 0 3 305.422 1.643 20 10 DDCDHN CN(C)c1ccc(CN[C@@H]2CCN(c3ccn(C)n3)C2)cc1F ZINC000371715766 418811713 /nfs/dbraw/zinc/81/17/13/418811713.db2.gz RTOCDUVTHVFPFF-CQSZACIVSA-N 0 3 317.412 1.994 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000372598500 418885565 /nfs/dbraw/zinc/88/55/65/418885565.db2.gz DBFNVJRESZUCQY-AWEZNQCLSA-N 0 3 312.435 1.857 20 10 DDCDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCNCC1 ZINC000418100446 419530534 /nfs/dbraw/zinc/53/05/34/419530534.db2.gz PPQHZSAUCYNWKT-UHFFFAOYSA-N 0 3 300.406 1.992 20 10 DDCDHN COC(=O)C1(CN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000284208996 277308697 /nfs/dbraw/zinc/30/86/97/277308697.db2.gz ZDYASHGQINREGB-UHFFFAOYSA-N 0 3 304.390 1.770 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)cc1OC ZINC000366924635 277386092 /nfs/dbraw/zinc/38/60/92/277386092.db2.gz IUQLJFNHHISRPT-SJCJKPOMSA-N 0 3 320.389 1.556 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000363766556 332244007 /nfs/dbraw/zinc/24/40/07/332244007.db2.gz IHMKXNQHDKIEHS-KGLIPLIRSA-N 0 3 306.406 1.868 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000363766556 332244008 /nfs/dbraw/zinc/24/40/08/332244008.db2.gz IHMKXNQHDKIEHS-KGLIPLIRSA-N 0 3 306.406 1.868 20 10 DDCDHN CCC[C@H](N)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000236828633 521110674 /nfs/dbraw/zinc/11/06/74/521110674.db2.gz BXBZVWJOTPKHEA-AWEZNQCLSA-N 0 3 309.385 1.610 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)NCCN(C)C2CC2)cc1 ZINC000264870802 522166225 /nfs/dbraw/zinc/16/62/25/522166225.db2.gz PFHICUKBLMWDCL-UHFFFAOYSA-N 0 3 304.438 1.988 20 10 DDCDHN COc1cc(O)c(CN(C)CCNC(=O)C(C)C)cc1OC ZINC000180797413 522768055 /nfs/dbraw/zinc/76/80/55/522768055.db2.gz GBJWNABFURJYLM-UHFFFAOYSA-N 0 3 310.394 1.613 20 10 DDCDHN CC(=O)N1CCN(CC[NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000273398392 534793289 /nfs/dbraw/zinc/79/32/89/534793289.db2.gz MNKWMDCKRKHBMN-CQSZACIVSA-N 0 3 305.422 1.515 20 10 DDCDHN COc1ccc(O)c(CN[C@H](C)C(=O)NCc2ccco2)c1 ZINC000181198960 524754741 /nfs/dbraw/zinc/75/47/41/524754741.db2.gz JMFHOSJFJCFTER-LLVKDONJSA-N 0 3 304.346 1.788 20 10 DDCDHN COc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1O ZINC000130252102 525991059 /nfs/dbraw/zinc/99/10/59/525991059.db2.gz ZSCOUOBAKIQNJY-DGCLKSJQSA-N 0 3 319.405 1.825 20 10 DDCDHN Cc1cccc(CN2CCN(C(=O)CN3CCCC3)CC2)c1O ZINC000180032768 697444092 /nfs/dbraw/zinc/44/40/92/697444092.db2.gz HMWGSNSNWDHLKY-UHFFFAOYSA-N 0 3 317.433 1.441 20 10 DDCDHN C[C@@H](O)CN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000188735355 697563779 /nfs/dbraw/zinc/56/37/79/697563779.db2.gz UILHWROTXWTPGX-MRXNPFEDSA-N 0 3 319.449 1.022 20 10 DDCDHN COc1c([O-])c(CN2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000775071586 697960231 /nfs/dbraw/zinc/96/02/31/697960231.db2.gz BLJYOUXMLGTQHE-WDEREUQCSA-N 0 3 309.366 1.833 20 10 DDCDHN COc1c([O-])c(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000775071586 697960234 /nfs/dbraw/zinc/96/02/34/697960234.db2.gz BLJYOUXMLGTQHE-WDEREUQCSA-N 0 3 309.366 1.833 20 10 DDCDHN C[C@@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccc(N(C)C)cc1 ZINC000775833505 698042371 /nfs/dbraw/zinc/04/23/71/698042371.db2.gz KFZDIKIWTPJJSL-GFCCVEGCSA-N 0 3 316.405 1.001 20 10 DDCDHN [NH3+]C[C@H]1CN(Cc2cc(Br)ccc2[O-])CCCO1 ZINC000313356136 698681906 /nfs/dbraw/zinc/68/19/06/698681906.db2.gz RMYRBDNBXNFEDO-LBPRGKRZSA-N 0 3 315.211 1.704 20 10 DDCDHN CCOc1ccc(CN2CCC(S(N)(=O)=O)CC2)c(O)c1 ZINC000785986749 699115730 /nfs/dbraw/zinc/11/57/30/699115730.db2.gz XFMBYQARMYTTAF-UHFFFAOYSA-N 0 3 314.407 1.044 20 10 DDCDHN COC(=O)CNC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613497 699609102 /nfs/dbraw/zinc/60/91/02/699609102.db2.gz YUTXCBCJOZCEDR-UHFFFAOYSA-N 0 3 320.389 1.426 20 10 DDCDHN COC(=O)CNC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613497 699609104 /nfs/dbraw/zinc/60/91/04/699609104.db2.gz YUTXCBCJOZCEDR-UHFFFAOYSA-N 0 3 320.389 1.426 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCN(C)CC1 ZINC000734687887 699659080 /nfs/dbraw/zinc/65/90/80/699659080.db2.gz XDNMUVKITYOUFF-UHFFFAOYSA-N 0 3 304.438 1.908 20 10 DDCDHN COC(=O)CN1CCC([NH2+]Cc2ccc(OC)cc2[O-])CC1 ZINC000793390790 699753584 /nfs/dbraw/zinc/75/35/84/699753584.db2.gz QUHBJLHPFGJTKL-UHFFFAOYSA-N 0 3 308.378 1.128 20 10 DDCDHN CNS(=O)(=O)[C@H]1CCCN(Cc2cc(C)cc(C)c2O)C1 ZINC000754727002 700522538 /nfs/dbraw/zinc/52/25/38/700522538.db2.gz ZYQTYLVLNJHEJI-AWEZNQCLSA-N 0 3 312.435 1.523 20 10 DDCDHN C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)c2c1c(F)ccc2[O-] ZINC000757640371 700667335 /nfs/dbraw/zinc/66/73/35/700667335.db2.gz YJRFAIZKSBUHCN-JOYOIKCWSA-N 0 3 318.352 1.822 20 10 DDCDHN CC1(C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H]2COC[C@@H]21 ZINC000840150766 701998266 /nfs/dbraw/zinc/99/82/66/701998266.db2.gz YQJZQIZFDYMOGU-GUTXKFCHSA-N 0 3 305.374 1.675 20 10 DDCDHN CC1(C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H]2COC[C@@H]21 ZINC000840150766 701998271 /nfs/dbraw/zinc/99/82/71/701998271.db2.gz YQJZQIZFDYMOGU-GUTXKFCHSA-N 0 3 305.374 1.675 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000841826672 702573907 /nfs/dbraw/zinc/57/39/07/702573907.db2.gz HWXBMYLNUFFDPF-KGLIPLIRSA-N 0 3 304.438 1.953 20 10 DDCDHN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C)CN1CCO ZINC000841891649 702608255 /nfs/dbraw/zinc/60/82/55/702608255.db2.gz NWPUFDRLBUWSSF-KBPBESRZSA-N 0 3 309.429 1.779 20 10 DDCDHN CN(C)CCCS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000866418806 706694296 /nfs/dbraw/zinc/69/42/96/706694296.db2.gz USDJSGFALXUNDS-UHFFFAOYSA-N 0 3 313.467 1.466 20 10 DDCDHN CO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000842907488 702789721 /nfs/dbraw/zinc/78/97/21/702789721.db2.gz FZTBORKGWHBJCK-XGWLTEMNSA-N 0 3 324.396 1.727 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC[C@H]1CCCO1 ZINC000843487451 702891574 /nfs/dbraw/zinc/89/15/74/702891574.db2.gz GNEYSNQNCYYCKS-QGZVFWFLSA-N 0 3 319.449 1.870 20 10 DDCDHN CC[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000846189247 703248484 /nfs/dbraw/zinc/24/84/84/703248484.db2.gz QMALWKLBQJPIQL-JSGCOSHPSA-N 0 3 312.435 1.775 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)C(N)C(F)(F)F)cc1 ZINC000846697947 703319722 /nfs/dbraw/zinc/31/97/22/703319722.db2.gz ZFFPAPCSMPMROA-GFCCVEGCSA-N 0 3 319.327 1.479 20 10 DDCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000879651867 706750248 /nfs/dbraw/zinc/75/02/48/706750248.db2.gz NOAZPPBVMVTMIK-XQQFMLRXSA-N 0 3 319.405 1.155 20 10 DDCDHN COCc1nc(CNCC=Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000850360736 703727179 /nfs/dbraw/zinc/72/71/79/703727179.db2.gz OSBNRKNSHZJGRU-PLNGDYQASA-N 0 3 301.394 1.820 20 10 DDCDHN CN1CCC(N2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819166389 704079732 /nfs/dbraw/zinc/07/97/32/704079732.db2.gz VYWJOWKVQZDRDJ-UHFFFAOYSA-N 0 3 303.362 1.251 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@H](N)CCSC)C2)cc1 ZINC000852843680 704144758 /nfs/dbraw/zinc/14/47/58/704144758.db2.gz DUIDLBOIWZPYOB-SWLSCSKDSA-N 0 3 323.462 1.471 20 10 DDCDHN CCN(CC)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819582283 704144890 /nfs/dbraw/zinc/14/48/90/704144890.db2.gz JSIBZSOOEYFETM-HNNXBMFYSA-N 0 3 319.449 1.980 20 10 DDCDHN O=C1NCC[C@@H]1CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000821390884 704402826 /nfs/dbraw/zinc/40/28/26/704402826.db2.gz FOKZOMUAEFCJPA-GDBMZVCRSA-N 0 3 318.417 1.899 20 10 DDCDHN O=C1NCC[C@@H]1CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000821390884 704402828 /nfs/dbraw/zinc/40/28/28/704402828.db2.gz FOKZOMUAEFCJPA-GDBMZVCRSA-N 0 3 318.417 1.899 20 10 DDCDHN CCOc1ccc(C[NH2+][C@H](CC)CNS(C)(=O)=O)c([O-])c1 ZINC000824679005 705505043 /nfs/dbraw/zinc/50/50/43/705505043.db2.gz WJINMOYQNZVRHI-GFCCVEGCSA-N 0 3 316.423 1.208 20 10 DDCDHN COCCOCC[N@H+](CCO)Cc1cc(Cl)cc(C)c1[O-] ZINC000862468134 705720405 /nfs/dbraw/zinc/72/04/05/705720405.db2.gz CUCVUDVEVZDECZ-UHFFFAOYSA-N 0 3 317.813 1.811 20 10 DDCDHN COCCOCC[N@@H+](CCO)Cc1cc(Cl)cc(C)c1[O-] ZINC000862468134 705720406 /nfs/dbraw/zinc/72/04/06/705720406.db2.gz CUCVUDVEVZDECZ-UHFFFAOYSA-N 0 3 317.813 1.811 20 10 DDCDHN COc1cc(CN2CC[C@@H](O)[C@@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000826123551 705775461 /nfs/dbraw/zinc/77/54/61/705775461.db2.gz QGSVRABTJSQWMO-CZUORRHYSA-N 0 3 323.433 1.873 20 10 DDCDHN Cn1ncc(CN)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000876727955 705843141 /nfs/dbraw/zinc/84/31/41/705843141.db2.gz DRXDPZVWOJIOFT-UHFFFAOYSA-N 0 3 313.405 1.409 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)c1c(CN)cnn1C ZINC000876767257 705866441 /nfs/dbraw/zinc/86/64/41/705866441.db2.gz FINXCMIUZAMFDI-UHFFFAOYSA-N 0 3 301.394 1.183 20 10 DDCDHN O=C1NCCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000876991196 705950531 /nfs/dbraw/zinc/95/05/31/705950531.db2.gz KRDVMYBOTAZPOJ-INIZCTEOSA-N 0 3 303.406 1.016 20 10 DDCDHN Cc1ccc(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(O)c1 ZINC000877515115 706129304 /nfs/dbraw/zinc/12/93/04/706129304.db2.gz UXKVJBVIEVBRGF-CQSZACIVSA-N 0 3 312.435 1.556 20 10 DDCDHN CN(C)c1ccc(CN[C@@H]2COC[C@@H]2O)c(C(F)(F)F)c1 ZINC000877667164 706174956 /nfs/dbraw/zinc/17/49/56/706174956.db2.gz DUZOWQBAYNGRJK-OLZOCXBDSA-N 0 3 304.312 1.621 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)c1[nH]nc2c1CNCC2 ZINC000829764518 706392048 /nfs/dbraw/zinc/39/20/48/706392048.db2.gz NPCHSZKZGMRKGX-UHFFFAOYSA-N 0 3 313.405 1.360 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1[O-] ZINC000880069781 706869685 /nfs/dbraw/zinc/86/96/85/706869685.db2.gz YIQGEWWVDVNKGP-LSDHHAIUSA-N 0 3 322.380 1.375 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1[O-] ZINC000880069781 706869688 /nfs/dbraw/zinc/86/96/88/706869688.db2.gz YIQGEWWVDVNKGP-LSDHHAIUSA-N 0 3 322.380 1.375 20 10 DDCDHN Cc1c[nH]cc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1=O ZINC000832283900 706884419 /nfs/dbraw/zinc/88/44/19/706884419.db2.gz CXXGPSIQNIYABW-OAHLLOKOSA-N 0 3 314.389 1.179 20 10 DDCDHN CC[C@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000927028342 712932973 /nfs/dbraw/zinc/93/29/73/712932973.db2.gz IMXFRHCBLLONJD-CABCVRRESA-N 0 3 314.451 1.199 20 10 DDCDHN COC[C@H](CO)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873116888 707736574 /nfs/dbraw/zinc/73/65/74/707736574.db2.gz DWMPNVLIBXBVRX-HNNXBMFYSA-N 0 3 305.378 1.037 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000897027266 708211616 /nfs/dbraw/zinc/21/16/16/708211616.db2.gz QBZQNZPMJLANGK-CYBMUJFWSA-N 0 3 306.362 1.721 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCCO)N(C)C)cc1 ZINC000899100621 708983225 /nfs/dbraw/zinc/98/32/25/708983225.db2.gz BENWMXYQCHDRLH-HNNXBMFYSA-N 0 3 308.426 1.037 20 10 DDCDHN CC[C@@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184374 709319008 /nfs/dbraw/zinc/31/90/08/709319008.db2.gz BBBRLQLGQSHNNQ-LSDHHAIUSA-N 0 3 318.421 1.686 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)C2(O)CCC2)N(C)C)cc1 ZINC000891246371 710140693 /nfs/dbraw/zinc/14/06/93/710140693.db2.gz BQHPSJVDSQKVLW-HNNXBMFYSA-N 0 3 305.422 1.387 20 10 DDCDHN CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(OC)c(OC)c1O ZINC000893335144 710603958 /nfs/dbraw/zinc/60/39/58/710603958.db2.gz OQJYEXSPPJIBCI-MNOVXSKESA-N 0 3 310.394 1.802 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](C3OCCO3)C1)[C@H](O)CO2 ZINC000905697299 712122164 /nfs/dbraw/zinc/12/21/64/712122164.db2.gz VNSPQHYMBKUYJK-QMTHXVAHSA-N 0 3 307.346 1.013 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](C3OCCO3)C1)[C@H](O)CO2 ZINC000905697299 712122166 /nfs/dbraw/zinc/12/21/66/712122166.db2.gz VNSPQHYMBKUYJK-QMTHXVAHSA-N 0 3 307.346 1.013 20 10 DDCDHN C[C@@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C[N@@H+]1C1CC1 ZINC000921384057 713751889 /nfs/dbraw/zinc/75/18/89/713751889.db2.gz IXJGLQXNGCBCGJ-MNOVXSKESA-N 0 3 307.369 1.956 20 10 DDCDHN C[C@@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C[N@H+]1C1CC1 ZINC000921384057 713751890 /nfs/dbraw/zinc/75/18/90/713751890.db2.gz IXJGLQXNGCBCGJ-MNOVXSKESA-N 0 3 307.369 1.956 20 10 DDCDHN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(Cc2ccccc2O)C1 ZINC001203550214 751155329 /nfs/dbraw/zinc/15/53/29/751155329.db2.gz MLZXBIVHWBDEHY-ZIAGYGMSSA-N 0 3 322.405 1.852 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001148214161 773394981 /nfs/dbraw/zinc/39/49/81/773394981.db2.gz OWFGRKWUVYUEOR-UHFFFAOYSA-N 0 3 302.374 1.656 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001148214161 773394988 /nfs/dbraw/zinc/39/49/88/773394988.db2.gz OWFGRKWUVYUEOR-UHFFFAOYSA-N 0 3 302.374 1.656 20 10 DDCDHN CC(C)(C)OC(=O)N1C[C@@H](NCc2cccc(O)c2O)CC1=O ZINC001171694612 776438906 /nfs/dbraw/zinc/43/89/06/776438906.db2.gz QFCWYPXSBJLWFV-NSHDSACASA-N 0 3 322.361 1.723 20 10 DDCDHN CN1CC2(C1)CCN(C(=O)c1cc3cc(O)c(O)cc3[nH]1)CC2 ZINC001269477024 841677052 /nfs/dbraw/zinc/67/70/52/841677052.db2.gz PBFIQEYXCLXMKH-UHFFFAOYSA-N 0 3 315.373 1.747 20 10 DDCDHN COc1cc([O-])c(CN2CC[C@H]([NH3+])C2)cc1Br ZINC001236172058 846542303 /nfs/dbraw/zinc/54/23/03/846542303.db2.gz GAPUWCRIUVMBHQ-VIFPVBQESA-N 0 3 301.184 1.696 20 10 DDCDHN Cc1ccc(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c(O)c1 ZINC001140949669 860744372 /nfs/dbraw/zinc/74/43/72/860744372.db2.gz GLPSDSFAPABRGK-CALCHBBNSA-N 0 3 302.418 1.996 20 10 DDCDHN CN1CCOc2cc(CN3CC[C@@H](N4CCOCC4)C3)ccc21 ZINC001141142986 860793545 /nfs/dbraw/zinc/79/35/45/860793545.db2.gz IWUPKRCKVJPKCR-MRXNPFEDSA-N 0 3 317.433 1.422 20 10 DDCDHN C[NH+]1CCC(n2cc(NC(=O)c3cccc(O)c3[O-])cn2)CC1 ZINC001332194078 865654336 /nfs/dbraw/zinc/65/43/36/865654336.db2.gz IXQFSTDDEKXLAM-UHFFFAOYSA-N 0 3 316.361 1.813 20 10 DDCDHN NC(C(=O)N1CCCc2cc(O)c(O)cc2C1)C(F)(F)F ZINC001160924092 866188808 /nfs/dbraw/zinc/18/88/08/866188808.db2.gz BYRBCXKPIGQKQI-LLVKDONJSA-N 0 3 304.268 1.262 20 10 DDCDHN CCOc1ccc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c([O-])c1 ZINC001337264371 869408492 /nfs/dbraw/zinc/40/84/92/869408492.db2.gz RYNPZOSYSGVVMO-AWEZNQCLSA-N 0 3 316.405 1.893 20 10 DDCDHN O=C(c1cccnc1)N1C[C@@H]2C[NH+](Cc3ccccc3[O-])C[C@H]2C1 ZINC001203556752 870638665 /nfs/dbraw/zinc/63/86/65/870638665.db2.gz VZLBAJNSFFJJBS-IRXDYDNUSA-N 0 3 323.396 1.991 20 10 DDCDHN COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001203635040 870689453 /nfs/dbraw/zinc/68/94/53/870689453.db2.gz HEKOPGNENZRYOX-WFASDCNBSA-N 0 3 304.390 1.844 20 10 DDCDHN COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001203635040 870689460 /nfs/dbraw/zinc/68/94/60/870689460.db2.gz HEKOPGNENZRYOX-WFASDCNBSA-N 0 3 304.390 1.844 20 10 DDCDHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001203877785 870813943 /nfs/dbraw/zinc/81/39/43/870813943.db2.gz JMDLMVAXGXZBBH-DVOMOZLQSA-N 0 3 320.389 1.071 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)COC(F)F)N(C)C)cc1 ZINC001342706268 872344712 /nfs/dbraw/zinc/34/47/12/872344712.db2.gz BNEHHACZMBLYBG-CYBMUJFWSA-N 0 3 315.364 1.711 20 10 DDCDHN O=C1c2cccc(O[C@H]3CC[NH2+]C3)c2C(=O)c2cccc([O-])c21 ZINC001218184185 877415649 /nfs/dbraw/zinc/41/56/49/877415649.db2.gz ZGBZWDVWVSJPGH-JTQLQIEISA-N 0 3 309.321 1.908 20 10 DDCDHN CCc1ccc(CN2CC3(CN(COCCOC)C3)C2)c(O)c1 ZINC001276804420 878159227 /nfs/dbraw/zinc/15/92/27/878159227.db2.gz DLUGKIKDRWTUHR-UHFFFAOYSA-N 0 3 320.433 1.693 20 10 DDCDHN CCN(CC)c1ccc(CN[C@@H]2CCC(=O)N(C)C2=O)cc1 ZINC000316381721 879371017 /nfs/dbraw/zinc/37/10/17/879371017.db2.gz SYNXJJCHMOPJBR-OAHLLOKOSA-N 0 3 303.406 1.770 20 10 DDCDHN COc1ccc(C[N@@H+]2CC[C@]3(CCC[C@H]3C(N)=O)C2)c([O-])c1 ZINC001277453543 884429226 /nfs/dbraw/zinc/42/92/26/884429226.db2.gz AMHWGJFLYMSLQE-WMLDXEAASA-N 0 3 304.390 1.878 20 10 DDCDHN COc1ccc(C[N@H+]2CC[C@]3(CCC[C@H]3C(N)=O)C2)c([O-])c1 ZINC001277453543 884429236 /nfs/dbraw/zinc/42/92/36/884429236.db2.gz AMHWGJFLYMSLQE-WMLDXEAASA-N 0 3 304.390 1.878 20 10 DDCDHN COc1ccc(O)c(CN2CC3(C2)SCC[C@@H]3C(N)=O)c1 ZINC001277464459 884799566 /nfs/dbraw/zinc/79/95/66/884799566.db2.gz WSLGOJOUNANVHS-GFCCVEGCSA-N 0 3 308.403 1.194 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001231849189 885904667 /nfs/dbraw/zinc/90/46/67/885904667.db2.gz OHGPTUJKPMHTNT-IRXDYDNUSA-N 0 3 308.422 1.326 20 10 DDCDHN CCC(=O)N(C)C1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487336 887021166 /nfs/dbraw/zinc/02/11/66/887021166.db2.gz ZNFRNLOGHFEMIY-UHFFFAOYSA-N 0 3 308.378 1.636 20 10 DDCDHN CCOC(=O)[C@H]1[C@@H]2CN(Cc3cc(OC)c(OC)cc3O)C[C@@H]21 ZINC001236757199 889335479 /nfs/dbraw/zinc/33/54/79/889335479.db2.gz IJTWHHQHACOYTF-ATCWAGBWSA-N 0 3 321.373 1.650 20 10 DDCDHN COC(=O)CCN(C)Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236941768 889434498 /nfs/dbraw/zinc/43/44/98/889434498.db2.gz FFNKNQMUEZNTSL-UHFFFAOYSA-N 0 3 323.412 1.572 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1c[nH]ccc1=O ZINC001237836126 889879591 /nfs/dbraw/zinc/87/95/91/889879591.db2.gz DPPDUUWDRMWFEY-UHFFFAOYSA-N 0 3 313.401 1.844 20 10 DDCDHN COC(=O)Cc1ccc(C[NH+]2CCC3(COC3)CC2)c([O-])c1 ZINC001249171963 893848620 /nfs/dbraw/zinc/84/86/20/893848620.db2.gz HULZMNNAUYVMGL-UHFFFAOYSA-N 0 3 305.374 1.720 20 10 DDCDHN CC[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1[O-])C(=O)N1CCOCC1 ZINC000185664818 407472272 /nfs/dbraw/zinc/47/22/72/407472272.db2.gz KKELVDGGAZTTCH-DZGCQCFKSA-N 0 3 306.406 1.989 20 10 DDCDHN CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2[O-])C1 ZINC000186109677 407578234 /nfs/dbraw/zinc/57/82/34/407578234.db2.gz WYWTXATZNCMLAV-VXGBXAGGSA-N 0 3 307.394 1.855 20 10 DDCDHN COC[C@@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268928972 408219765 /nfs/dbraw/zinc/21/97/65/408219765.db2.gz QNLVWCUBZFJZOK-JSGCOSHPSA-N 0 3 312.385 1.320 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1[O-] ZINC000280888598 408853716 /nfs/dbraw/zinc/85/37/16/408853716.db2.gz OXAWDAVULJJCLO-CMPLNLGQSA-N 0 3 315.797 1.789 20 10 DDCDHN Cc1cc(CN(C)C[C@H](O)CN2CCOCC2)ccc1N(C)C ZINC000292703160 409040035 /nfs/dbraw/zinc/04/00/35/409040035.db2.gz DJCWVGVVDVDRLP-KRWDZBQOSA-N 0 3 321.465 1.186 20 10 DDCDHN CC[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(C)cc1[O-] ZINC000289756724 409285613 /nfs/dbraw/zinc/28/56/13/409285613.db2.gz LLFKZYYABJULLU-OAHLLOKOSA-N 0 3 304.394 1.915 20 10 DDCDHN COc1cc(O)c(CN(C)[C@H]2CCN3CCO[C@H]2C3)cc1OC ZINC000295203594 409374216 /nfs/dbraw/zinc/37/42/16/409374216.db2.gz YZJXCRDUVUIKAC-GUYCJALGSA-N 0 3 322.405 1.314 20 10 DDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1[O-] ZINC000366541903 418486848 /nfs/dbraw/zinc/48/68/48/418486848.db2.gz AVKBCKSBLPKWDU-NWDGAFQWSA-N 0 3 308.765 1.449 20 10 DDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1[O-] ZINC000366541903 418486850 /nfs/dbraw/zinc/48/68/50/418486850.db2.gz AVKBCKSBLPKWDU-NWDGAFQWSA-N 0 3 308.765 1.449 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)cc1OC ZINC000367350779 418589824 /nfs/dbraw/zinc/58/98/24/418589824.db2.gz XHHNAORIWDMWAN-STQMWFEESA-N 0 3 320.389 1.652 20 10 DDCDHN COc1cc(O)c(CN[C@H]2CC(=O)N3CCCC[C@@H]23)cc1OC ZINC000367350779 418589826 /nfs/dbraw/zinc/58/98/26/418589826.db2.gz XHHNAORIWDMWAN-STQMWFEESA-N 0 3 320.389 1.652 20 10 DDCDHN CN(C)c1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1F ZINC000367460656 418600596 /nfs/dbraw/zinc/60/05/96/418600596.db2.gz GOQWMIGAHZORFO-ZWKOTPCHSA-N 0 3 321.440 1.923 20 10 DDCDHN COc1cccc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1[O-] ZINC000377727132 418713793 /nfs/dbraw/zinc/71/37/93/418713793.db2.gz UAFICIGGSNZESE-ZDUSSCGKSA-N 0 3 302.378 1.503 20 10 DDCDHN Cc1cccc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1[O-] ZINC000368589791 418722306 /nfs/dbraw/zinc/72/23/06/418722306.db2.gz JLXDHTMFCNOZFE-SFHVURJKSA-N 0 3 320.433 1.672 20 10 DDCDHN COc1cc(O)c(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1OC ZINC000362241210 418751303 /nfs/dbraw/zinc/75/13/03/418751303.db2.gz XDTPSZRSLDXGKT-RAIGVLPGSA-N 0 3 320.389 1.508 20 10 DDCDHN C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccccc1[O-] ZINC000362238759 418751598 /nfs/dbraw/zinc/75/15/98/418751598.db2.gz OGKBLAJJDVSJCS-IUODEOHRSA-N 0 3 304.390 1.823 20 10 DDCDHN Cc1cccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[O-] ZINC000373190914 418931717 /nfs/dbraw/zinc/93/17/17/418931717.db2.gz OZXMJAKFUITHHK-CXAGYDPISA-N 0 3 317.389 1.511 20 10 DDCDHN COc1cc(Br)cc(C[NH2+]CC2COC2)c1[O-] ZINC000527817506 421445051 /nfs/dbraw/zinc/44/50/51/421445051.db2.gz MXDWNEKVZHUSFH-UHFFFAOYSA-N 0 3 302.168 1.899 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000377706003 288166818 /nfs/dbraw/zinc/16/68/18/288166818.db2.gz UFYKGMMTSUDFHZ-MRXNPFEDSA-N 0 3 319.449 1.939 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000377706003 288166819 /nfs/dbraw/zinc/16/68/19/288166819.db2.gz UFYKGMMTSUDFHZ-MRXNPFEDSA-N 0 3 319.449 1.939 20 10 DDCDHN CC(=O)N1CCN(CC[NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000273398390 534792128 /nfs/dbraw/zinc/79/21/28/534792128.db2.gz MNKWMDCKRKHBMN-AWEZNQCLSA-N 0 3 305.422 1.515 20 10 DDCDHN COc1ccc(O)c(CN2CCN(C3CCOCC3)CC2)c1 ZINC000180381498 524742215 /nfs/dbraw/zinc/74/22/15/524742215.db2.gz CSIIHJZUCCNJIB-UHFFFAOYSA-N 0 3 306.406 1.697 20 10 DDCDHN CCOc1ccc(O)c(CN2CCc3n[nH]c(=O)cc3C2)c1 ZINC000274917021 535752887 /nfs/dbraw/zinc/75/28/87/535752887.db2.gz LEIMDKVGPFMYKE-UHFFFAOYSA-N 0 3 301.346 1.433 20 10 DDCDHN O=S(=O)(NCC[NH2+]Cc1ccccc1[O-])c1cccs1 ZINC000122265905 696720273 /nfs/dbraw/zinc/72/02/73/696720273.db2.gz DFSQARKSNKYUHR-UHFFFAOYSA-N 0 3 312.416 1.522 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnccn2)N(C)C)cc1 ZINC000038635156 696136992 /nfs/dbraw/zinc/13/69/92/696136992.db2.gz PWBWXRGLMYOPGD-MRXNPFEDSA-N 0 3 313.405 1.575 20 10 DDCDHN COc1cc(CN2CCN(CC(C)(C)O)C[C@@H]2C)c(O)cc1C ZINC000188843695 697565504 /nfs/dbraw/zinc/56/55/04/697565504.db2.gz FTGMPDBLIKUYEG-AWEZNQCLSA-N 0 3 322.449 1.986 20 10 DDCDHN CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774479773 697884759 /nfs/dbraw/zinc/88/47/59/697884759.db2.gz UBNTUQARTYAWEV-VXGBXAGGSA-N 0 3 306.410 1.637 20 10 DDCDHN CC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccccc1[O-] ZINC000775518055 698005632 /nfs/dbraw/zinc/00/56/32/698005632.db2.gz CNLMXMSAIQBFHE-CQSZACIVSA-N 0 3 312.435 1.859 20 10 DDCDHN COc1ccc(N2CCCN([C@@H]3CCCN(C)C3=O)CC2)cc1 ZINC000778939854 698384244 /nfs/dbraw/zinc/38/42/44/698384244.db2.gz GCKNQGSEUOPNEP-QGZVFWFLSA-N 0 3 317.433 1.828 20 10 DDCDHN Cc1cc(C)c(O)c(CN2CCN(CCC(=O)N(C)C)CC2)c1 ZINC000754739416 700523516 /nfs/dbraw/zinc/52/35/16/700523516.db2.gz BULKCDMIISXITD-UHFFFAOYSA-N 0 3 319.449 1.605 20 10 DDCDHN C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc(Br)cc1[O-] ZINC000756556352 700627812 /nfs/dbraw/zinc/62/78/12/700627812.db2.gz NVIBKCLJSBITET-MWLCHTKSSA-N 0 3 317.227 1.728 20 10 DDCDHN CCOc1ccc(CN2CC[C@@H](NC(=O)NC3CC3)C2)c(O)c1 ZINC000761228257 700851678 /nfs/dbraw/zinc/85/16/78/700851678.db2.gz KNQLFTGIEVGFJO-CQSZACIVSA-N 0 3 319.405 1.827 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c([O-])c1 ZINC000761228257 700851679 /nfs/dbraw/zinc/85/16/79/700851679.db2.gz KNQLFTGIEVGFJO-CQSZACIVSA-N 0 3 319.405 1.827 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c([O-])c1 ZINC000761228257 700851681 /nfs/dbraw/zinc/85/16/81/700851681.db2.gz KNQLFTGIEVGFJO-CQSZACIVSA-N 0 3 319.405 1.827 20 10 DDCDHN COCC1(O)CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000768465718 701180500 /nfs/dbraw/zinc/18/05/00/701180500.db2.gz QWMNLRQJXUWBFE-UHFFFAOYSA-N 0 3 311.378 1.383 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H](CCSC)C(=O)NC)c([O-])c1 ZINC000808437199 701518045 /nfs/dbraw/zinc/51/80/45/701518045.db2.gz IMFOTBYWYKWSMV-ZDUSSCGKSA-N 0 3 312.435 1.748 20 10 DDCDHN COc1ccc(O)c(CN2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000816641642 702133715 /nfs/dbraw/zinc/13/37/15/702133715.db2.gz AGDOHPDWJRJHIZ-CQSZACIVSA-N 0 3 318.377 1.322 20 10 DDCDHN COCCNC(=O)C1([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000840822749 702249385 /nfs/dbraw/zinc/24/93/85/702249385.db2.gz QIGGWTFDNYAJTA-CMPLNLGQSA-N 0 3 322.380 1.964 20 10 DDCDHN COCCNC(=O)C1(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000840822749 702249390 /nfs/dbraw/zinc/24/93/90/702249390.db2.gz QIGGWTFDNYAJTA-CMPLNLGQSA-N 0 3 322.380 1.964 20 10 DDCDHN CCOC(=O)[C@@H]1NCC[C@@H]1NCc1ccc(N(CC)CC)cc1 ZINC000817887760 702509163 /nfs/dbraw/zinc/50/91/63/702509163.db2.gz DNJXDFURDMMLHW-DLBZAZTESA-N 0 3 319.449 1.916 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@H]2C[C@H](O)C2(C)C)cc1 ZINC000846957442 703357540 /nfs/dbraw/zinc/35/75/40/703357540.db2.gz FXZRUNGSHGKAEE-HOTGVXAUSA-N 0 3 319.449 1.460 20 10 DDCDHN CCN(CC(=O)NC(C)C)C(=O)CN[C@@H](C)c1ccccc1O ZINC000879652740 706750076 /nfs/dbraw/zinc/75/00/76/706750076.db2.gz HSFTWUOGDBXBNK-ZDUSSCGKSA-N 0 3 321.421 1.416 20 10 DDCDHN CCN(CC(=O)NC(C)C)C(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652740 706750077 /nfs/dbraw/zinc/75/00/77/706750077.db2.gz HSFTWUOGDBXBNK-ZDUSSCGKSA-N 0 3 321.421 1.416 20 10 DDCDHN Cc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c([O-])c1O ZINC000854643456 704432361 /nfs/dbraw/zinc/43/23/61/704432361.db2.gz YGQITTVNTIETBD-ZIAGYGMSSA-N 0 3 320.389 1.341 20 10 DDCDHN Cc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)c([O-])c1O ZINC000854643456 704432362 /nfs/dbraw/zinc/43/23/62/704432362.db2.gz YGQITTVNTIETBD-ZIAGYGMSSA-N 0 3 320.389 1.341 20 10 DDCDHN Cc1ccc(O)c(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000858191959 704675937 /nfs/dbraw/zinc/67/59/37/704675937.db2.gz CSYPDELRLNGYIY-GJZGRUSLSA-N 0 3 319.405 1.363 20 10 DDCDHN COCCN1CCC(NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875157281 705299993 /nfs/dbraw/zinc/29/99/93/705299993.db2.gz SKRPBESSURRVKV-UHFFFAOYSA-N 0 3 319.405 1.528 20 10 DDCDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1Cc2cccc(O)c2C1 ZINC000875236222 705324458 /nfs/dbraw/zinc/32/44/58/705324458.db2.gz BMQSOZFSYZRJJJ-KGLIPLIRSA-N 0 3 317.389 1.281 20 10 DDCDHN CCOC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC12COC2 ZINC000824488924 705462732 /nfs/dbraw/zinc/46/27/32/705462732.db2.gz CBCLQEVSVOQCNF-CYBMUJFWSA-N 0 3 309.337 1.543 20 10 DDCDHN CCOC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC12COC2 ZINC000824488924 705462734 /nfs/dbraw/zinc/46/27/34/705462734.db2.gz CBCLQEVSVOQCNF-CYBMUJFWSA-N 0 3 309.337 1.543 20 10 DDCDHN CCOCc1cc(CN[C@@H]2CC(=O)N(CC)C2)ccc1OC ZINC000824886618 705551279 /nfs/dbraw/zinc/55/12/79/705551279.db2.gz GEJJBUBPBDWEED-OAHLLOKOSA-N 0 3 306.406 1.942 20 10 DDCDHN CCN1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000824886647 705551570 /nfs/dbraw/zinc/55/15/70/705551570.db2.gz GWONYFSEKQUEMC-AWEZNQCLSA-N 0 3 321.396 1.373 20 10 DDCDHN CCN1CCN(CCC[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877145865 705996584 /nfs/dbraw/zinc/99/65/84/705996584.db2.gz QNFXMZPQQBSCPK-UHFFFAOYSA-N 0 3 313.392 1.788 20 10 DDCDHN COc1cccc(O)c1CN1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000827545105 706023481 /nfs/dbraw/zinc/02/34/81/706023481.db2.gz SYCUEVKEVQAKSE-GFCCVEGCSA-N 0 3 307.394 1.589 20 10 DDCDHN CC1(CNCc2ccc(N3CCC(O)CC3)cc2)OCCCO1 ZINC000877475708 706117178 /nfs/dbraw/zinc/11/71/78/706117178.db2.gz VDMKHQDGXAIHFQ-UHFFFAOYSA-N 0 3 320.433 1.890 20 10 DDCDHN CN(Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1COCCO1 ZINC000877629016 706164151 /nfs/dbraw/zinc/16/41/51/706164151.db2.gz PIPIQTHSGILZCY-SFHVURJKSA-N 0 3 320.433 1.495 20 10 DDCDHN CCOC(=O)[C@@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCCOC1 ZINC000877698072 706181575 /nfs/dbraw/zinc/18/15/75/706181575.db2.gz GZAKIBWXOOVZBW-MRXNPFEDSA-N 0 3 311.353 1.981 20 10 DDCDHN CCN(CC)c1ccc(CN2C[C@H](CO)[C@H](CO)C2)cc1F ZINC000877764635 706201600 /nfs/dbraw/zinc/20/16/00/706201600.db2.gz LHPJQUBBKJJJPL-GASCZTMLSA-N 0 3 310.413 1.705 20 10 DDCDHN CC(C)(O)C[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000878239875 706335847 /nfs/dbraw/zinc/33/58/47/706335847.db2.gz ALPMSZBCKARQRY-JKSUJKDBSA-N 0 3 323.433 1.895 20 10 DDCDHN CC(C)(O)C[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000878239875 706335849 /nfs/dbraw/zinc/33/58/49/706335849.db2.gz ALPMSZBCKARQRY-JKSUJKDBSA-N 0 3 323.433 1.895 20 10 DDCDHN COc1ccc(CNC(=O)[C@H]2CNCc3ccccc32)c(O)c1 ZINC000832177871 706862147 /nfs/dbraw/zinc/86/21/47/706862147.db2.gz ILHNPYRCOFFWHO-INIZCTEOSA-N 0 3 312.369 1.904 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H](C(C)(C)O)C2)cc1 ZINC000880146986 706892070 /nfs/dbraw/zinc/89/20/70/706892070.db2.gz YXIXTNBTEJKBJS-HNNXBMFYSA-N 0 3 319.449 1.462 20 10 DDCDHN CCN(C)c1ccc(CN(CC(N)=O)C2CCOCC2)cc1 ZINC000880395505 706963393 /nfs/dbraw/zinc/96/33/93/706963393.db2.gz NCDFWFHEVGPZAF-UHFFFAOYSA-N 0 3 305.422 1.609 20 10 DDCDHN Cc1ccc(CNCc2ccc(N3CCN(C)CC3)cc2)nn1 ZINC000883283360 707965025 /nfs/dbraw/zinc/96/50/25/707965025.db2.gz BUBCAOKTQNSELM-UHFFFAOYSA-N 0 3 311.433 1.827 20 10 DDCDHN NS(=O)(=O)C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000897057698 708218356 /nfs/dbraw/zinc/21/83/56/708218356.db2.gz HNYDWHRJHFUJFL-LBPRGKRZSA-N 0 3 320.414 1.656 20 10 DDCDHN NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000897057698 708218358 /nfs/dbraw/zinc/21/83/58/708218358.db2.gz HNYDWHRJHFUJFL-LBPRGKRZSA-N 0 3 320.414 1.656 20 10 DDCDHN C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1c([O-])cccc1F ZINC000886524905 708773084 /nfs/dbraw/zinc/77/30/84/708773084.db2.gz TXYYIIWEINGXMN-CHWSQXEVSA-N 0 3 323.412 1.769 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)c(O)c1O ZINC000889760080 709617862 /nfs/dbraw/zinc/61/78/62/709617862.db2.gz BBMAYUBTEZDGCJ-KGLIPLIRSA-N 0 3 320.389 1.077 20 10 DDCDHN CC[C@](C)(O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891257600 710144484 /nfs/dbraw/zinc/14/44/84/710144484.db2.gz IXFMSXXYZFAGPS-WBVHZDCISA-N 0 3 307.438 1.633 20 10 DDCDHN COc1ccc(CN2CCN(CCO)C(C)(C)C2)c(O)c1OC ZINC000893875201 710869331 /nfs/dbraw/zinc/86/93/31/710869331.db2.gz XPCNWAVOQVSJLM-UHFFFAOYSA-N 0 3 324.421 1.298 20 10 DDCDHN COc1cc(C)cc(CN2CCN(c3nccn3C)CC2)c1O ZINC000895352787 711492166 /nfs/dbraw/zinc/49/21/66/711492166.db2.gz BDBRNOMTJDARCQ-UHFFFAOYSA-N 0 3 316.405 1.765 20 10 DDCDHN COc1ccc(CN2CCCC[C@H]2CNC(C)=O)c(O)c1OC ZINC000895727181 711588896 /nfs/dbraw/zinc/58/88/96/711588896.db2.gz ITSWOCZARXJGIR-AWEZNQCLSA-N 0 3 322.405 1.900 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000914220017 713361315 /nfs/dbraw/zinc/36/13/15/713361315.db2.gz HDPBNSSCINVTJO-KGLIPLIRSA-N 0 3 307.369 1.957 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000914220017 713361316 /nfs/dbraw/zinc/36/13/16/713361316.db2.gz HDPBNSSCINVTJO-KGLIPLIRSA-N 0 3 307.369 1.957 20 10 DDCDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCN2C)c1[O-] ZINC000922575142 714092163 /nfs/dbraw/zinc/09/21/63/714092163.db2.gz CWTSMOQHNPJPLV-NSHDSACASA-N 0 3 315.211 1.957 20 10 DDCDHN CC1CCN(c2ccc(CNS(=O)(=O)C3CNC3)cc2)CC1 ZINC000923609077 714428067 /nfs/dbraw/zinc/42/80/67/714428067.db2.gz UYKOMAIUCFFTSG-UHFFFAOYSA-N 0 3 323.462 1.314 20 10 DDCDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3cnnn3C)C2)cc1 ZINC000926680465 715112454 /nfs/dbraw/zinc/11/24/54/715112454.db2.gz ORRXQTHXFYOQMH-QWHCGFSZSA-N 0 3 301.394 1.753 20 10 DDCDHN C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000692481275 735902140 /nfs/dbraw/zinc/90/21/40/735902140.db2.gz WWNQMUOEUFIVHI-SNVBAGLBSA-N 0 3 304.387 1.463 20 10 DDCDHN CC1(N2CCOCC2)CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204278875 742887593 /nfs/dbraw/zinc/88/75/93/742887593.db2.gz LHCWKIOYNXSZGS-UHFFFAOYSA-N 0 3 306.406 1.785 20 10 DDCDHN [O-]c1ccc2ccncc2c1C[NH+]1CCN(c2nccnn2)CC1 ZINC000863271630 749075972 /nfs/dbraw/zinc/07/59/72/749075972.db2.gz BPTJNENPQYKXSI-UHFFFAOYSA-N 0 3 322.372 1.448 20 10 DDCDHN COC(=O)[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[O-])C[C@@H]1C(=O)OC ZINC001173562097 777239963 /nfs/dbraw/zinc/23/99/63/777239963.db2.gz ACZCLNXLKLXASK-MHDGFBEUSA-N 0 3 321.373 1.784 20 10 DDCDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc(N2CCCC2)cc1 ZINC001118241477 781073397 /nfs/dbraw/zinc/07/33/97/781073397.db2.gz GYFRBHSGNBRDPL-KRWDZBQOSA-N 0 3 317.433 1.624 20 10 DDCDHN Cc1ccc(C[N@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c([O-])c1 ZINC001272765795 847395420 /nfs/dbraw/zinc/39/54/20/847395420.db2.gz KOBTUGCLWQCMSI-QGZVFWFLSA-N 0 3 302.374 1.672 20 10 DDCDHN Cc1ccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c([O-])c1 ZINC001272765795 847395425 /nfs/dbraw/zinc/39/54/25/847395425.db2.gz KOBTUGCLWQCMSI-QGZVFWFLSA-N 0 3 302.374 1.672 20 10 DDCDHN CN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273285095 849333099 /nfs/dbraw/zinc/33/30/99/849333099.db2.gz NSEKNZTYBINWJI-INIZCTEOSA-N 0 3 306.337 1.502 20 10 DDCDHN CN1C(=O)C[C@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1=O ZINC001273285095 849333104 /nfs/dbraw/zinc/33/31/04/849333104.db2.gz NSEKNZTYBINWJI-INIZCTEOSA-N 0 3 306.337 1.502 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001274764895 852585897 /nfs/dbraw/zinc/58/58/97/852585897.db2.gz COXKYHVUQGITTM-KRWDZBQOSA-N 0 3 304.390 1.845 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c([O-])c1 ZINC001274764895 852585907 /nfs/dbraw/zinc/58/59/07/852585907.db2.gz COXKYHVUQGITTM-KRWDZBQOSA-N 0 3 304.390 1.845 20 10 DDCDHN Cc1c(CN2CC(N3CCN(C)CC3)C2)c2ccccc2n1C ZINC001138259903 860047831 /nfs/dbraw/zinc/04/78/31/860047831.db2.gz QPFZROFUGFRYBT-UHFFFAOYSA-N 0 3 312.461 1.918 20 10 DDCDHN COc1ncnc2c1CC[N@H+](Cc1cc(F)ccc1[O-])CC2 ZINC001140053904 860565311 /nfs/dbraw/zinc/56/53/11/860565311.db2.gz DZDGSBKBEUZHTD-UHFFFAOYSA-N 0 3 303.337 1.931 20 10 DDCDHN COc1ncnc2c1CC[N@@H+](Cc1cc(F)ccc1[O-])CC2 ZINC001140053904 860565322 /nfs/dbraw/zinc/56/53/22/860565322.db2.gz DZDGSBKBEUZHTD-UHFFFAOYSA-N 0 3 303.337 1.931 20 10 DDCDHN COc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140056391 860566495 /nfs/dbraw/zinc/56/64/95/860566495.db2.gz UVEQHSAMNWJFSV-CYBMUJFWSA-N 0 3 319.336 1.983 20 10 DDCDHN COc1ccnc(O[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140056391 860566500 /nfs/dbraw/zinc/56/65/00/860566500.db2.gz UVEQHSAMNWJFSV-CYBMUJFWSA-N 0 3 319.336 1.983 20 10 DDCDHN COc1ccnc(O[C@@H]2CCN(Cc3cc(F)ccc3O)C2)n1 ZINC001140056391 860566506 /nfs/dbraw/zinc/56/65/06/860566506.db2.gz UVEQHSAMNWJFSV-CYBMUJFWSA-N 0 3 319.336 1.983 20 10 DDCDHN O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccccc1[O-])CCO2 ZINC001320417723 866722260 /nfs/dbraw/zinc/72/22/60/866722260.db2.gz SVXIYYGHMAKZLY-HIFRSBDPSA-N 0 3 311.403 1.218 20 10 DDCDHN CCOc1ccc(N2CCN(C[C@@H]3CNC(=O)C3)CC2)cc1 ZINC001333586691 866861193 /nfs/dbraw/zinc/86/11/93/866861193.db2.gz KUVCIJITRNNVSI-AWEZNQCLSA-N 0 3 303.406 1.343 20 10 DDCDHN Nc1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC001335737504 868506437 /nfs/dbraw/zinc/50/64/37/868506437.db2.gz QLFMKAOZCWDNNM-HZPDHXFCSA-N 0 3 318.421 1.009 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC001341012422 871464150 /nfs/dbraw/zinc/46/41/50/871464150.db2.gz XYJRRQKOGQFSAQ-LBPRGKRZSA-N 0 3 318.352 1.582 20 10 DDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC001341836017 871847242 /nfs/dbraw/zinc/84/72/42/871847242.db2.gz DXISMUYVUBEYSW-GFCCVEGCSA-N 0 3 302.378 1.503 20 10 DDCDHN C[C@H](NC(=O)c1cc2n(n1)CCC[C@@H]2N)c1ccccc1O ZINC001344460693 873013376 /nfs/dbraw/zinc/01/33/76/873013376.db2.gz FAEYRKJJBJHWEO-JQWIXIFHSA-N 0 3 300.362 1.873 20 10 DDCDHN COc1cccc(CNC(=O)NC[C@H]2CCCCN2C)c1O ZINC001346438517 873755406 /nfs/dbraw/zinc/75/54/06/873755406.db2.gz YDJQGSZNOZQWAX-CYBMUJFWSA-N 0 3 307.394 1.684 20 10 DDCDHN CO[C@@]1(C)C[C@H]1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001350582813 875767258 /nfs/dbraw/zinc/76/72/58/875767258.db2.gz HDRCUNKWMVHGDF-SJORKVTESA-N 0 3 307.413 1.845 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2occc2N)N(C)C)cc1 ZINC001355641491 878657466 /nfs/dbraw/zinc/65/74/66/878657466.db2.gz VJMDQDPTGUIJKG-HNNXBMFYSA-N 0 3 316.405 1.961 20 10 DDCDHN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCN1C ZINC001231591189 885752073 /nfs/dbraw/zinc/75/20/73/885752073.db2.gz XTAXSKCOEMSMRN-INIZCTEOSA-N 0 3 314.385 1.834 20 10 DDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCN1C ZINC001231591189 885752082 /nfs/dbraw/zinc/75/20/82/885752082.db2.gz XTAXSKCOEMSMRN-INIZCTEOSA-N 0 3 314.385 1.834 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CCC(=O)N2CCC[C@@H]2C1 ZINC001231857741 885911473 /nfs/dbraw/zinc/91/14/73/885911473.db2.gz OITONOBJVHXEGS-MRXNPFEDSA-N 0 3 317.433 1.958 20 10 DDCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@@H](O)CO)c1[O-] ZINC001233109468 886788527 /nfs/dbraw/zinc/78/85/27/886788527.db2.gz YBNWEQKHDXWDSY-LLVKDONJSA-N 0 3 304.184 1.248 20 10 DDCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@@H](O)CO)c1[O-] ZINC001233109468 886788537 /nfs/dbraw/zinc/78/85/37/886788537.db2.gz YBNWEQKHDXWDSY-LLVKDONJSA-N 0 3 304.184 1.248 20 10 DDCDHN COC(=O)[C@@H]1CNCCN1Cc1cc(C(F)(F)F)ccc1O ZINC001236058384 889086953 /nfs/dbraw/zinc/08/69/53/889086953.db2.gz OOGNXPAZYRJLKX-NSHDSACASA-N 0 3 318.295 1.358 20 10 DDCDHN CCc1ccc(CN2CC3(C2)CCOC[C@H]3C(=O)OC)c(O)c1 ZINC001236792334 889357753 /nfs/dbraw/zinc/35/77/53/889357753.db2.gz POBMUHBJJPDLRV-HNNXBMFYSA-N 0 3 319.401 1.966 20 10 DDCDHN CN1CCN(c2ccc(CN3CC[C@]34CCOC4)c(F)c2)CC1 ZINC001236945082 889435631 /nfs/dbraw/zinc/43/56/31/889435631.db2.gz HUPZVOSOHLYNAK-GOSISDBHSA-N 0 3 319.424 1.942 20 10 DDCDHN CC(C)N1CCN(c2ccc(-c3ccn(C)c(=O)c3)cn2)CC1 ZINC001240985682 891109529 /nfs/dbraw/zinc/10/95/29/891109529.db2.gz GOWSVZXBEVKQMQ-UHFFFAOYSA-N 0 3 312.417 1.978 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c([O-])c1 ZINC001249177911 893856329 /nfs/dbraw/zinc/85/63/29/893856329.db2.gz LIAOHKLTHGNOPK-KRWDZBQOSA-N 0 3 305.374 1.720 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)c([O-])c1 ZINC001249177911 893856345 /nfs/dbraw/zinc/85/63/45/893856345.db2.gz LIAOHKLTHGNOPK-KRWDZBQOSA-N 0 3 305.374 1.720 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(C)=O)C2)c([O-])c1 ZINC001249216468 893873797 /nfs/dbraw/zinc/87/37/97/893873797.db2.gz AACREDQXJDOVJU-OAHLLOKOSA-N 0 3 320.389 1.160 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(C)=O)C2)c([O-])c1 ZINC001249216468 893873816 /nfs/dbraw/zinc/87/38/16/893873816.db2.gz AACREDQXJDOVJU-OAHLLOKOSA-N 0 3 320.389 1.160 20 10 DDCDHN CCOC(=O)CN1CCC([N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001254410898 896430779 /nfs/dbraw/zinc/43/07/79/896430779.db2.gz FXBDRYZGZLNABJ-UHFFFAOYSA-N 0 3 318.417 1.778 20 10 DDCDHN CCOC(=O)CN1CCC([N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001254410898 896430785 /nfs/dbraw/zinc/43/07/85/896430785.db2.gz FXBDRYZGZLNABJ-UHFFFAOYSA-N 0 3 318.417 1.778 20 10 DDCDHN CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(C)c(C)cc2O)C1 ZINC000092304256 193186922 /nfs/dbraw/zinc/18/69/22/193186922.db2.gz VPRHNSVEHUEPEY-CQSZACIVSA-N 0 3 312.435 1.523 20 10 DDCDHN CCNC(=O)NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298739881 132075867 /nfs/dbraw/zinc/07/58/67/132075867.db2.gz WUBIYFRSHYNVIH-UHFFFAOYSA-N 0 3 320.437 1.809 20 10 DDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCOCCS(C)(=O)=O)c1 ZINC000186077581 407569855 /nfs/dbraw/zinc/56/98/55/407569855.db2.gz PDFHHGTVIKEVHG-LBPRGKRZSA-N 0 3 301.408 1.412 20 10 DDCDHN CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C(=O)N1CCOCC1 ZINC000185665667 407471841 /nfs/dbraw/zinc/47/18/41/407471841.db2.gz DGSFGJWTGTWDAS-RISCZKNCSA-N 0 3 310.369 1.819 20 10 DDCDHN NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272346266 407877715 /nfs/dbraw/zinc/87/77/15/407877715.db2.gz ZRDZDYJTRMQFSC-SNVBAGLBSA-N 0 3 302.371 1.032 20 10 DDCDHN NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272346266 407877722 /nfs/dbraw/zinc/87/77/22/407877722.db2.gz ZRDZDYJTRMQFSC-SNVBAGLBSA-N 0 3 302.371 1.032 20 10 DDCDHN COc1cccc(CNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1O ZINC000268130323 407904116 /nfs/dbraw/zinc/90/41/16/407904116.db2.gz IDZRPQMPHYUDEP-FZMZJTMJSA-N 0 3 319.405 1.683 20 10 DDCDHN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCN1C1CCOCC1 ZINC000272268896 407843383 /nfs/dbraw/zinc/84/33/83/407843383.db2.gz CTTVAMJEHMIJFK-CQSZACIVSA-N 0 3 320.389 1.357 20 10 DDCDHN NCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000165489851 408810492 /nfs/dbraw/zinc/81/04/92/408810492.db2.gz ADOVGEPIZNHRDU-UHFFFAOYSA-N 0 3 317.311 1.117 20 10 DDCDHN CCOc1cccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1[O-] ZINC000281388251 408883552 /nfs/dbraw/zinc/88/35/52/408883552.db2.gz WPTZDJVGCLNDIM-OLZOCXBDSA-N 0 3 306.362 1.721 20 10 DDCDHN CCOc1cccc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1[O-] ZINC000281388251 408883555 /nfs/dbraw/zinc/88/35/55/408883555.db2.gz WPTZDJVGCLNDIM-OLZOCXBDSA-N 0 3 306.362 1.721 20 10 DDCDHN CCOc1cccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O ZINC000281388251 408883558 /nfs/dbraw/zinc/88/35/58/408883558.db2.gz WPTZDJVGCLNDIM-OLZOCXBDSA-N 0 3 306.362 1.721 20 10 DDCDHN COCC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCOCC1 ZINC000291666245 408904572 /nfs/dbraw/zinc/90/45/72/408904572.db2.gz FTBLPJVBNLWFHZ-UHFFFAOYSA-N 0 3 309.362 1.654 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000293567638 409139690 /nfs/dbraw/zinc/13/96/90/409139690.db2.gz GTGCYJYDISDTNV-OAHLLOKOSA-N 0 3 302.378 1.622 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000293567638 409139694 /nfs/dbraw/zinc/13/96/94/409139694.db2.gz GTGCYJYDISDTNV-OAHLLOKOSA-N 0 3 302.378 1.622 20 10 DDCDHN CCN(C)c1ccc([C@H](C)NCCS(=O)(=O)N(C)C)cc1 ZINC000290137403 409308132 /nfs/dbraw/zinc/30/81/32/409308132.db2.gz KKRXPWHYBLYTBP-ZDUSSCGKSA-N 0 3 313.467 1.685 20 10 DDCDHN CN(Cc1cc2c(cc1O)OCO2)[C@H]1CCN2CCO[C@H]1C2 ZINC000295156172 409349049 /nfs/dbraw/zinc/34/90/49/409349049.db2.gz RPRZVCDNNKSLAE-LRDDRELGSA-N 0 3 306.362 1.026 20 10 DDCDHN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000361064815 418576397 /nfs/dbraw/zinc/57/63/97/418576397.db2.gz CLPZYZCMFUIPFS-CABCVRRESA-N 0 3 308.397 1.952 20 10 DDCDHN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000361064815 418576399 /nfs/dbraw/zinc/57/63/99/418576399.db2.gz CLPZYZCMFUIPFS-CABCVRRESA-N 0 3 308.397 1.952 20 10 DDCDHN CNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000192753504 222134886 /nfs/dbraw/zinc/13/48/86/222134886.db2.gz KXEYIQLGTPPMGP-LBPRGKRZSA-N 0 3 321.421 1.262 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000296481795 418587031 /nfs/dbraw/zinc/58/70/31/418587031.db2.gz OHHFNIGBFOPEQQ-OLZOCXBDSA-N 0 3 314.451 1.987 20 10 DDCDHN C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccccc1[O-] ZINC000194453316 222177919 /nfs/dbraw/zinc/17/79/19/222177919.db2.gz PEQBAIPUFMFBSO-GFCCVEGCSA-N 0 3 320.414 1.933 20 10 DDCDHN C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCCOC1)c1ccccc1[O-] ZINC000367828699 418641801 /nfs/dbraw/zinc/64/18/01/418641801.db2.gz VSEWGEXRQZTELN-YJBOKZPZSA-N 0 3 320.433 1.924 20 10 DDCDHN Cc1cccc(CN2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1O ZINC000367725818 418627349 /nfs/dbraw/zinc/62/73/49/418627349.db2.gz RTUOHJTWRFPXEO-CQSZACIVSA-N 0 3 310.419 1.357 20 10 DDCDHN NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000377636335 418711221 /nfs/dbraw/zinc/71/12/21/418711221.db2.gz GSWHIZMBOMTUPH-CQSZACIVSA-N 0 3 311.385 1.860 20 10 DDCDHN CN1CCN([C@H]2CCCC[N@H+](Cc3ccccc3[O-])C2)CC1 ZINC000377691035 418713599 /nfs/dbraw/zinc/71/35/99/418713599.db2.gz HDYMAONVQNTRIR-KRWDZBQOSA-N 0 3 303.450 1.994 20 10 DDCDHN CN1CCN([C@H]2CCCC[N@@H+](Cc3ccccc3[O-])C2)CC1 ZINC000377691035 418713602 /nfs/dbraw/zinc/71/36/02/418713602.db2.gz HDYMAONVQNTRIR-KRWDZBQOSA-N 0 3 303.450 1.994 20 10 DDCDHN COC(=O)CN1CCCN([C@H](C)c2cc(OC)ccc2O)CC1 ZINC000368976229 418727393 /nfs/dbraw/zinc/72/73/93/418727393.db2.gz UWJDZGSEASAAKY-CYBMUJFWSA-N 0 3 322.405 1.643 20 10 DDCDHN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000372858917 418910168 /nfs/dbraw/zinc/91/01/68/418910168.db2.gz SRQRRRBHCHZVMA-INIZCTEOSA-N 0 3 317.433 1.521 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000367322566 288167294 /nfs/dbraw/zinc/16/72/94/288167294.db2.gz TUHQSWYZUQQKGR-CQSZACIVSA-N 0 3 312.435 1.811 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000367322566 288167299 /nfs/dbraw/zinc/16/72/99/288167299.db2.gz TUHQSWYZUQQKGR-CQSZACIVSA-N 0 3 312.435 1.811 20 10 DDCDHN CC[C@H](c1ccccc1O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000369927588 281025569 /nfs/dbraw/zinc/02/55/69/281025569.db2.gz ARYMDCAGVQTGPQ-ZIAGYGMSSA-N 0 3 317.389 1.812 20 10 DDCDHN O=S1(=O)CCC[C@H](NCc2ccc(N3CCCC3)cc2)C1 ZINC000069142693 490577529 /nfs/dbraw/zinc/57/75/29/490577529.db2.gz INUKUTNNJGYSKN-HNNXBMFYSA-N 0 3 308.447 1.954 20 10 DDCDHN CC(C)[C@H](CCO)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000162041519 519813879 /nfs/dbraw/zinc/81/38/79/519813879.db2.gz GNLJBNYAOUNKAC-INIZCTEOSA-N 0 3 307.438 1.365 20 10 DDCDHN Cc1cccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000180721991 524377274 /nfs/dbraw/zinc/37/72/74/524377274.db2.gz JAXKXPNJONPSLW-UHFFFAOYSA-N 0 3 312.435 1.556 20 10 DDCDHN Cc1cccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000180721991 524377279 /nfs/dbraw/zinc/37/72/79/524377279.db2.gz JAXKXPNJONPSLW-UHFFFAOYSA-N 0 3 312.435 1.556 20 10 DDCDHN COc1ccc([O-])c(C[NH2+]C(C)(C)CCS(C)(=O)=O)c1 ZINC000182492499 524748737 /nfs/dbraw/zinc/74/87/37/524748737.db2.gz OOPUJBARXZLLQZ-UHFFFAOYSA-N 0 3 301.408 1.704 20 10 DDCDHN O=C(CN1CCCC1)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180067053 697444381 /nfs/dbraw/zinc/44/43/81/697444381.db2.gz OLBZNPHWFKEAMH-UHFFFAOYSA-N 0 3 321.396 1.271 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cc(C)nn2C)c1 ZINC000182461602 697475455 /nfs/dbraw/zinc/47/54/55/697475455.db2.gz YHMPJLJSJUXYTQ-LLVKDONJSA-N 0 3 318.377 1.732 20 10 DDCDHN C[C@H]1CO[C@H](CO)CN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775742634 698028469 /nfs/dbraw/zinc/02/84/69/698028469.db2.gz VTYQHIXOAIOFSL-YJBOKZPZSA-N 0 3 319.449 1.020 20 10 DDCDHN CN(C)S(=O)(=O)c1cccc(CNCc2ccccc2O)c1 ZINC000390192681 699092575 /nfs/dbraw/zinc/09/25/75/699092575.db2.gz HNCLAFVMQALWNH-UHFFFAOYSA-N 0 3 320.414 1.932 20 10 DDCDHN CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000390192681 699092579 /nfs/dbraw/zinc/09/25/79/699092579.db2.gz HNCLAFVMQALWNH-UHFFFAOYSA-N 0 3 320.414 1.932 20 10 DDCDHN CC(=O)c1cc(Cl)cc(CN(C)[C@]2(CO)CCOC2)c1O ZINC000763880979 700951454 /nfs/dbraw/zinc/95/14/54/700951454.db2.gz KRPRCYWFXWSOCW-HNNXBMFYSA-N 0 3 313.781 1.831 20 10 DDCDHN CCOCCO[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768461381 701179131 /nfs/dbraw/zinc/17/91/31/701179131.db2.gz CCAHAVDVZLBXIZ-BBRMVZONSA-N 0 3 323.389 1.445 20 10 DDCDHN CCOCCO[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768461381 701179134 /nfs/dbraw/zinc/17/91/34/701179134.db2.gz CCAHAVDVZLBXIZ-BBRMVZONSA-N 0 3 323.389 1.445 20 10 DDCDHN Cc1cc(CNCc2ccc(N3CCN(C)CC3)cc2)ncn1 ZINC000771857210 701334313 /nfs/dbraw/zinc/33/43/13/701334313.db2.gz FRGSBCSRWCPANN-UHFFFAOYSA-N 0 3 311.433 1.827 20 10 DDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)N(C)C)c1[O-] ZINC000810263038 701749022 /nfs/dbraw/zinc/74/90/22/701749022.db2.gz IDHLVIUTVCXROR-SNVBAGLBSA-N 0 3 320.842 1.896 20 10 DDCDHN C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c2c1c(F)ccc2[O-] ZINC000810261578 701749066 /nfs/dbraw/zinc/74/90/66/701749066.db2.gz DWVUEBCLDNEZHA-ONGXEEELSA-N 0 3 316.398 1.561 20 10 DDCDHN CN(C)C(=O)OC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000816654849 702136597 /nfs/dbraw/zinc/13/65/97/702136597.db2.gz CMSJPARDUOWEMV-UHFFFAOYSA-N 0 3 322.361 1.784 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](O)C2(C)C)cc1 ZINC000812865969 702254311 /nfs/dbraw/zinc/25/43/11/702254311.db2.gz UUNCJTCPPRHBIR-MRXNPFEDSA-N 0 3 319.449 1.556 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CC[C@@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000814173328 702490696 /nfs/dbraw/zinc/49/06/96/702490696.db2.gz JVVWLAKKKSSKTJ-MFKMUULPSA-N 0 3 307.350 1.445 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CC[C@@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000814173328 702490699 /nfs/dbraw/zinc/49/06/99/702490699.db2.gz JVVWLAKKKSSKTJ-MFKMUULPSA-N 0 3 307.350 1.445 20 10 DDCDHN COc1c([O-])c(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000814173328 702490702 /nfs/dbraw/zinc/49/07/02/702490702.db2.gz JVVWLAKKKSSKTJ-MFKMUULPSA-N 0 3 307.350 1.445 20 10 DDCDHN COc1c([O-])c(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000814173328 702490703 /nfs/dbraw/zinc/49/07/03/702490703.db2.gz JVVWLAKKKSSKTJ-MFKMUULPSA-N 0 3 307.350 1.445 20 10 DDCDHN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CNCCO1 ZINC000841710090 702545928 /nfs/dbraw/zinc/54/59/28/702545928.db2.gz SKOPLHCJIBMNTE-MRXNPFEDSA-N 0 3 318.421 1.074 20 10 DDCDHN COc1c([O-])c(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843052892 702809107 /nfs/dbraw/zinc/80/91/07/702809107.db2.gz XTAIXZVOZZESSC-GHMZBOCLSA-N 0 3 309.366 1.868 20 10 DDCDHN CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1ccc(C)cc1[O-] ZINC000866439895 706699585 /nfs/dbraw/zinc/69/95/85/706699585.db2.gz KWAGDEBYKQINKU-OBJOEFQTSA-N 0 3 322.405 1.808 20 10 DDCDHN CCOc1cccc(CN2CN(CCN(C)C)C(=O)[C@@H]2C)c1O ZINC000843427627 702879283 /nfs/dbraw/zinc/87/92/83/702879283.db2.gz AQEQNJMGLQSYIE-ZDUSSCGKSA-N 0 3 321.421 1.343 20 10 DDCDHN CCOc1cccc(CN2C[C@H](O)C[C@@H](C(=O)OC)C2)c1O ZINC000843435599 702882073 /nfs/dbraw/zinc/88/20/73/702882073.db2.gz WGZNLCRFIQPPJL-CHWSQXEVSA-N 0 3 309.362 1.147 20 10 DDCDHN COc1ccc(N(C)CCN(C)c2cc(C)nc(N)n2)cc1 ZINC000845666228 703188215 /nfs/dbraw/zinc/18/82/15/703188215.db2.gz CVIOSNSJXDRDFB-UHFFFAOYSA-N 0 3 301.394 1.948 20 10 DDCDHN COC(=O)CCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000879650399 706749703 /nfs/dbraw/zinc/74/97/03/706749703.db2.gz ZMALHIJIKLUGMH-AAEUAGOBSA-N 0 3 306.362 1.207 20 10 DDCDHN COc1ccc(N2CC[C@@H](N[C@@H](C)CS(C)(=O)=O)C2)cc1 ZINC000850489625 703733617 /nfs/dbraw/zinc/73/36/17/703733617.db2.gz WDZGBRVAMYKROX-QWHCGFSZSA-N 0 3 312.435 1.297 20 10 DDCDHN Nc1ccc(CCNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000852794645 704125799 /nfs/dbraw/zinc/12/57/99/704125799.db2.gz AZKPXNVIQJGMHV-UHFFFAOYSA-N 0 3 301.415 1.949 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@H](N)C3CCC3)C2)cc1 ZINC000852843844 704144829 /nfs/dbraw/zinc/14/48/29/704144829.db2.gz IHRICUXAKAYHGM-CZUORRHYSA-N 0 3 303.406 1.518 20 10 DDCDHN C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000853543237 704264966 /nfs/dbraw/zinc/26/49/66/704264966.db2.gz RDBRZIJOULDHKM-BHYGNILZSA-N 0 3 305.374 1.676 20 10 DDCDHN C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000853543237 704264969 /nfs/dbraw/zinc/26/49/69/704264969.db2.gz RDBRZIJOULDHKM-BHYGNILZSA-N 0 3 305.374 1.676 20 10 DDCDHN O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(O)c1[O-] ZINC000856479897 704530439 /nfs/dbraw/zinc/53/04/39/704530439.db2.gz PBOOTZBBNLYEDY-CYBMUJFWSA-N 0 3 304.390 1.950 20 10 DDCDHN O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(O)c1[O-] ZINC000856479897 704530440 /nfs/dbraw/zinc/53/04/40/704530440.db2.gz PBOOTZBBNLYEDY-CYBMUJFWSA-N 0 3 304.390 1.950 20 10 DDCDHN COc1ccc(CN[C@H]2CC(=O)N(C)C2)cc1Cn1cccn1 ZINC000873034988 707702164 /nfs/dbraw/zinc/70/21/64/707702164.db2.gz BFTZYCKVWDCTGX-HNNXBMFYSA-N 0 3 314.389 1.260 20 10 DDCDHN C[C@H]([NH2+]CCN(C)CCOCCO)c1cc(F)ccc1[O-] ZINC000883350774 707982359 /nfs/dbraw/zinc/98/23/59/707982359.db2.gz OTINLOOBOOBCDC-LBPRGKRZSA-N 0 3 300.374 1.123 20 10 DDCDHN COCC[C@H](N)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000884368979 708266904 /nfs/dbraw/zinc/26/69/04/708266904.db2.gz OPQWAHIHYZMKLC-BBRMVZONSA-N 0 3 321.421 1.002 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@H](N)CC3CC3)C2)cc1 ZINC000884398264 708280464 /nfs/dbraw/zinc/28/04/64/708280464.db2.gz ZTFPASBYCDTMPV-CZUORRHYSA-N 0 3 303.406 1.518 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@H]2CO)N(C)C)cc1 ZINC000899095790 708982003 /nfs/dbraw/zinc/98/20/03/708982003.db2.gz MKKJLKVDRZMBIO-JKSUJKDBSA-N 0 3 320.437 1.132 20 10 DDCDHN CCON(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105182 708984863 /nfs/dbraw/zinc/98/48/63/708984863.db2.gz VBJGPVBIJNSJJP-OAHLLOKOSA-N 0 3 308.426 1.948 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCOC2)N(C)C)cc1 ZINC000891255717 710143950 /nfs/dbraw/zinc/14/39/50/710143950.db2.gz RIDQVHOOFJXLEG-ZBFHGGJFSA-N 0 3 305.422 1.508 20 10 DDCDHN COc1cc(C)cc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1O ZINC000894608297 711210861 /nfs/dbraw/zinc/21/08/61/711210861.db2.gz HDZXOECTKBXVQT-UONOGXRCSA-N 0 3 308.422 1.596 20 10 DDCDHN COc1ccc(CN2C[C@@H](C)N(CCO)[C@@H](C)C2)c(O)c1OC ZINC000894736837 711252412 /nfs/dbraw/zinc/25/24/12/711252412.db2.gz MGWOYQALIQLGHH-BETUJISGSA-N 0 3 324.421 1.296 20 10 DDCDHN O=C1NCC2(CCOCC2)[C@H]1NCc1ccc2c(c1)CCO2 ZINC000895772902 711602818 /nfs/dbraw/zinc/60/28/18/711602818.db2.gz LRFJPXWAFVFTRJ-HNNXBMFYSA-N 0 3 302.374 1.006 20 10 DDCDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CCN1C ZINC000915367075 713417493 /nfs/dbraw/zinc/41/74/93/713417493.db2.gz VHHHYZXEKKYMRL-RISCZKNCSA-N 0 3 308.401 1.784 20 10 DDCDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C ZINC000919908847 713641607 /nfs/dbraw/zinc/64/16/07/713641607.db2.gz KMVYLTQBYOCIFE-YOEHRIQHSA-N 0 3 314.433 1.955 20 10 DDCDHN C[C@H]([NH2+]C[C@@H]1CN=C(c2cnn(C)c2)O1)c1ccccc1[O-] ZINC000931558159 714127686 /nfs/dbraw/zinc/12/76/86/714127686.db2.gz QEFPNGRFJBFAAE-WCQYABFASA-N 0 3 300.362 1.622 20 10 DDCDHN [NH3+]CC[C@@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000926167782 715020711 /nfs/dbraw/zinc/02/07/11/715020711.db2.gz BVOMSDURMWSDQE-SNVBAGLBSA-N 0 3 309.263 1.610 20 10 DDCDHN C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000692481272 735902576 /nfs/dbraw/zinc/90/25/76/735902576.db2.gz WWNQMUOEUFIVHI-JTQLQIEISA-N 0 3 304.387 1.463 20 10 DDCDHN C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1[O-] ZINC001197004175 747031095 /nfs/dbraw/zinc/03/10/95/747031095.db2.gz OVBNFAVZFZAJTH-JQWIXIFHSA-N 0 3 306.322 1.209 20 10 DDCDHN COc1ccc(C[NH2+]CCNC(=O)c2cnc[n-]c2=O)cc1C ZINC001130072663 767225072 /nfs/dbraw/zinc/22/50/72/767225072.db2.gz WCJSTDKSUCJMQT-UHFFFAOYSA-N 0 3 316.361 1.019 20 10 DDCDHN COCCN1C[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]2C1=O ZINC001140053905 860565749 /nfs/dbraw/zinc/56/57/49/860565749.db2.gz DZPFKMRGDLZFPQ-JSGCOSHPSA-N 0 3 308.353 1.068 20 10 DDCDHN COCCN1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]2C1=O ZINC001140053905 860565753 /nfs/dbraw/zinc/56/57/53/860565753.db2.gz DZPFKMRGDLZFPQ-JSGCOSHPSA-N 0 3 308.353 1.068 20 10 DDCDHN CCN1CCN(c2ccc(CN3CCNC(=O)[C@@H]3C)cc2)CC1 ZINC001140304022 860614757 /nfs/dbraw/zinc/61/47/57/860614757.db2.gz DZNOSNCTKMAIRY-HNNXBMFYSA-N 0 3 316.449 1.149 20 10 DDCDHN CCN1CCN(c2ccc(CN(C)[C@H](C)C(=O)OC)cc2)CC1 ZINC001140304272 860615415 /nfs/dbraw/zinc/61/54/15/860615415.db2.gz LMWBMHHVUBAFJU-OAHLLOKOSA-N 0 3 319.449 1.822 20 10 DDCDHN COc1cc(O)c(CN2CCC3(CNC(=O)O3)CC2)c(OC)c1 ZINC001141028845 860767560 /nfs/dbraw/zinc/76/75/60/860767560.db2.gz BXLADAZYLNGEAZ-UHFFFAOYSA-N 0 3 322.361 1.484 20 10 DDCDHN COc1cc([O-])c(C[NH+]2CCC3(CNC(=O)O3)CC2)c(OC)c1 ZINC001141028845 860767566 /nfs/dbraw/zinc/76/75/66/860767566.db2.gz BXLADAZYLNGEAZ-UHFFFAOYSA-N 0 3 322.361 1.484 20 10 DDCDHN CN1CCOc2cc(CN3CC[C@](C)(CO)[C@H](O)C3)ccc21 ZINC001141141525 860793205 /nfs/dbraw/zinc/79/32/05/860793205.db2.gz ZRANNCMCEFLNDK-IAGOWNOFSA-N 0 3 306.406 1.080 20 10 DDCDHN NC(=O)N=Nc1ccc(C(=O)NCCNC/C=C\Cl)cc1 ZINC001153037162 863669440 /nfs/dbraw/zinc/66/94/40/863669440.db2.gz FBRNLFWELJRPPG-AAAPLUPESA-N 0 3 309.757 1.921 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC001203551748 870636343 /nfs/dbraw/zinc/63/63/43/870636343.db2.gz MLYVJPNRHPUULU-DOTOQJQBSA-N 0 3 304.390 1.604 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC001203551748 870636354 /nfs/dbraw/zinc/63/63/54/870636354.db2.gz MLYVJPNRHPUULU-DOTOQJQBSA-N 0 3 304.390 1.604 20 10 DDCDHN CC(=O)N1CCC(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC001349690306 875306974 /nfs/dbraw/zinc/30/69/74/875306974.db2.gz XCLIQUWLVCUGDZ-LBPRGKRZSA-N 0 3 319.405 1.170 20 10 DDCDHN CCOc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001353886097 877631785 /nfs/dbraw/zinc/63/17/85/877631785.db2.gz IBNLDPOEBMSCFI-KRWDZBQOSA-N 0 3 317.433 1.828 20 10 DDCDHN CNC(=O)c1cccc(N(C)C(=O)c2cccc3c2CCNC3)c1 ZINC001354864785 878283265 /nfs/dbraw/zinc/28/32/65/878283265.db2.gz NKXIMKQHWHYFSZ-UHFFFAOYSA-N 0 3 323.396 1.969 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC[C@H](O)C(F)(F)F)C2)cc1 ZINC001356621598 879136983 /nfs/dbraw/zinc/13/69/83/879136983.db2.gz KNYSFXFDKZFVEV-MFKMUULPSA-N 0 3 304.312 1.787 20 10 DDCDHN COc1cccc(CN2CC[C@H]3C[C@]32C(=O)N2CC=CC2)c1O ZINC001277453871 884439056 /nfs/dbraw/zinc/43/90/56/884439056.db2.gz IVOBBMPMEIWABS-KBXCAEBGSA-N 0 3 314.385 1.764 20 10 DDCDHN Oc1cc(O)c(CN2CCC(N3CC(F)(F)C3)CC2)cc1O ZINC001233486112 887019752 /nfs/dbraw/zinc/01/97/52/887019752.db2.gz YTQICPONRIKYPY-UHFFFAOYSA-N 0 3 314.332 1.719 20 10 DDCDHN Cc1ccc(C)n1-c1ccc(CN2CCNC(=O)C23CNC3)cc1 ZINC001235070335 888394848 /nfs/dbraw/zinc/39/48/48/888394848.db2.gz RFCYZAKHWCUZBJ-UHFFFAOYSA-N 0 3 324.428 1.368 20 10 DDCDHN COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001236200846 889139213 /nfs/dbraw/zinc/13/92/13/889139213.db2.gz KVSIWRLJNHTSEZ-MNOVXSKESA-N 0 3 318.295 1.486 20 10 DDCDHN COC(=O)C[C@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC001236754955 889333759 /nfs/dbraw/zinc/33/37/59/889333759.db2.gz WVVLAKLSYQNHMN-LLVKDONJSA-N 0 3 309.362 1.794 20 10 DDCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@@H]1O ZINC001236924624 889422431 /nfs/dbraw/zinc/42/24/31/889422431.db2.gz NVTACRYGYXUZOW-LRDDRELGSA-N 0 3 310.825 1.989 20 10 DDCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)C(=O)N(C)CCN2C ZINC001237484801 889663417 /nfs/dbraw/zinc/66/34/17/889663417.db2.gz ACIZZQBCERATAQ-UHFFFAOYSA-N 0 3 317.433 1.439 20 10 DDCDHN COCC1CC[NH+](Cc2ccc(CC(=O)OC)cc2[O-])CC1 ZINC001249172070 893849210 /nfs/dbraw/zinc/84/92/10/893849210.db2.gz IPCHRDCDVRWTOH-UHFFFAOYSA-N 0 3 307.390 1.966 20 10 DDCDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249201489 893863320 /nfs/dbraw/zinc/86/33/20/893863320.db2.gz UYCPSJQGFLFBOS-CQSZACIVSA-N 0 3 321.373 1.493 20 10 DDCDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249201489 893863341 /nfs/dbraw/zinc/86/33/41/893863341.db2.gz UYCPSJQGFLFBOS-CQSZACIVSA-N 0 3 321.373 1.493 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c([O-])c1 ZINC001249207773 893867220 /nfs/dbraw/zinc/86/72/20/893867220.db2.gz IRKIRJHDFWTSFZ-GDBMZVCRSA-N 0 3 305.374 1.719 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c([O-])c1 ZINC001249207773 893867230 /nfs/dbraw/zinc/86/72/30/893867230.db2.gz IRKIRJHDFWTSFZ-GDBMZVCRSA-N 0 3 305.374 1.719 20 10 DDCDHN [O-]c1ccccc1C[NH2+]C[C@H](O)COCC(F)(F)C(F)F ZINC001251622324 894753157 /nfs/dbraw/zinc/75/31/57/894753157.db2.gz MGAJYWCIHKZQGL-JTQLQIEISA-N 0 3 311.275 1.760 20 10 DDCDHN Cc1ccc(O)c(CN2CC[C@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000091898283 353839201 /nfs/dbraw/zinc/83/92/01/353839201.db2.gz HXUOYWXAMWXKGT-AWEZNQCLSA-N 0 3 312.435 1.603 20 10 DDCDHN CNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273415968 130119213 /nfs/dbraw/zinc/11/92/13/130119213.db2.gz QYBUVJPZXPBMGQ-AWEZNQCLSA-N 0 3 319.449 1.870 20 10 DDCDHN CC[C@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1ccccc1[O-] ZINC000284374483 131075682 /nfs/dbraw/zinc/07/56/82/131075682.db2.gz NZGLVYCZVOQLKW-LBPRGKRZSA-N 0 3 304.350 1.511 20 10 DDCDHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000285475712 131172736 /nfs/dbraw/zinc/17/27/36/131172736.db2.gz KUUFGNMUXNDZNJ-OCCSQVGLSA-N 0 3 312.435 1.590 20 10 DDCDHN Cc1ccc([O-])c(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c1 ZINC000289484172 131389819 /nfs/dbraw/zinc/38/98/19/131389819.db2.gz QWFUPCHPLMDJHY-UHFFFAOYSA-N 0 3 303.362 1.217 20 10 DDCDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)NCCCO)CC2)c1 ZINC000271748889 407731958 /nfs/dbraw/zinc/73/19/58/407731958.db2.gz UMFJCYUMBDWPTO-UHFFFAOYSA-N 0 3 322.405 1.111 20 10 DDCDHN O=C([C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)N1CCOCC1 ZINC000179555367 407807130 /nfs/dbraw/zinc/80/71/30/407807130.db2.gz SORLAHYODBLTCJ-HNNXBMFYSA-N 0 3 304.390 1.463 20 10 DDCDHN O=C([C@H]1CCC[N@H+](Cc2ccccc2[O-])C1)N1CCOCC1 ZINC000179555367 407807135 /nfs/dbraw/zinc/80/71/35/407807135.db2.gz SORLAHYODBLTCJ-HNNXBMFYSA-N 0 3 304.390 1.463 20 10 DDCDHN CCN(CC)CC(=O)N1CCN(Cc2ccccc2O)CC1 ZINC000179569444 407808140 /nfs/dbraw/zinc/80/81/40/407808140.db2.gz ZFKODFGCLMMQCT-UHFFFAOYSA-N 0 3 305.422 1.378 20 10 DDCDHN CC(C)(N)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000269264607 408239766 /nfs/dbraw/zinc/23/97/66/408239766.db2.gz YIWDJAVNHLAWEB-UHFFFAOYSA-N 0 3 309.385 1.140 20 10 DDCDHN CN(C)c1ccc(CNC(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000291616125 408895538 /nfs/dbraw/zinc/89/55/38/408895538.db2.gz HZDMJARSHSOLIJ-GOSISDBHSA-N 0 3 316.449 1.990 20 10 DDCDHN CCOc1cccc(CN2CC[C@@H](N3CCCC3=O)C2)c1O ZINC000276848513 408902466 /nfs/dbraw/zinc/90/24/66/408902466.db2.gz UKWRHLLQWOQMON-CQSZACIVSA-N 0 3 304.390 1.988 20 10 DDCDHN CN1CCC(O)(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293488173 409123793 /nfs/dbraw/zinc/12/37/93/409123793.db2.gz AIMMQWYGWLHHRQ-UHFFFAOYSA-N 0 3 302.777 1.731 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000290121875 409306082 /nfs/dbraw/zinc/30/60/82/409306082.db2.gz MDIXHFGXMMQLTA-GFCCVEGCSA-N 0 3 313.419 1.705 20 10 DDCDHN Cc1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)c(O)c1O ZINC000295773681 409368886 /nfs/dbraw/zinc/36/88/86/409368886.db2.gz XDCNZJGLFHCLNY-NSHDSACASA-N 0 3 304.390 1.963 20 10 DDCDHN CCOc1ccc(O)c(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000375488242 418647331 /nfs/dbraw/zinc/64/73/31/418647331.db2.gz ZHMHSJOGRXHWCQ-PEYYIBSZSA-N 0 3 304.390 1.877 20 10 DDCDHN CCOc1cccc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2)c1[O-] ZINC000377797519 418714845 /nfs/dbraw/zinc/71/48/45/418714845.db2.gz XAUICLLCCFZBDP-AWEZNQCLSA-N 0 3 316.405 1.893 20 10 DDCDHN COc1ccc(N(C)C(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)cc1 ZINC000662827881 424780534 /nfs/dbraw/zinc/78/05/34/424780534.db2.gz PALKMNFFBDCFKK-NSHDSACASA-N 0 3 300.362 1.772 20 10 DDCDHN COCCC(=O)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000296268171 277486792 /nfs/dbraw/zinc/48/67/92/277486792.db2.gz BTFKTXYZMGTLMY-OAHLLOKOSA-N 0 3 318.417 1.997 20 10 DDCDHN CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296967203 277496397 /nfs/dbraw/zinc/49/63/97/277496397.db2.gz RKUSWLADNABWGI-CHWSQXEVSA-N 0 3 310.419 1.393 20 10 DDCDHN COc1cc(O)c(CN2CCN(CC3CC3)CC2)cc1OC ZINC000159898535 522774225 /nfs/dbraw/zinc/77/42/25/522774225.db2.gz DMCLWBGGNVZTEE-UHFFFAOYSA-N 0 3 306.406 1.937 20 10 DDCDHN [O-]c1ccccc1C[N@H+](CCn1cncn1)C[C@H]1CCCO1 ZINC000264744483 526372980 /nfs/dbraw/zinc/37/29/80/526372980.db2.gz UVSCUQYBQUUJFB-OAHLLOKOSA-N 0 3 302.378 1.665 20 10 DDCDHN [O-]c1ccccc1C[N@@H+](CCn1cncn1)C[C@H]1CCCO1 ZINC000264744483 526372985 /nfs/dbraw/zinc/37/29/85/526372985.db2.gz UVSCUQYBQUUJFB-OAHLLOKOSA-N 0 3 302.378 1.665 20 10 DDCDHN COCCN(CC(=O)NCc1ccc(N(C)C)cc1)CC(C)C ZINC000297768485 536817315 /nfs/dbraw/zinc/81/73/15/536817315.db2.gz FVZRGYFLDIBJGV-UHFFFAOYSA-N 0 3 321.465 1.973 20 10 DDCDHN CC(=O)N1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775638272 698017823 /nfs/dbraw/zinc/01/78/23/698017823.db2.gz GSAJZBHWSCFIPH-UHFFFAOYSA-N 0 3 316.449 1.103 20 10 DDCDHN COc1cc(C)cc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)c1O ZINC000249144377 698387785 /nfs/dbraw/zinc/38/77/85/698387785.db2.gz XCYQFPLQMCQORH-AWEZNQCLSA-N 0 3 322.449 1.986 20 10 DDCDHN CNC(=O)[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000787322032 699205456 /nfs/dbraw/zinc/20/54/56/699205456.db2.gz ALFZUNRDQVUIIR-LBPRGKRZSA-N 0 3 300.786 1.914 20 10 DDCDHN O=[N+]([O-])c1cc(CNC(CO)CO)ccc1N1CCCCC1 ZINC000742378266 699876281 /nfs/dbraw/zinc/87/62/81/699876281.db2.gz OQEGZYJDWZKUDX-UHFFFAOYSA-N 0 3 309.366 1.028 20 10 DDCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CN1CCOCC1 ZINC000801597025 700325600 /nfs/dbraw/zinc/32/56/00/700325600.db2.gz XZOFYDJTTBSVNK-KRWDZBQOSA-N 0 3 322.449 1.687 20 10 DDCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CN1CCOCC1 ZINC000801597025 700325602 /nfs/dbraw/zinc/32/56/02/700325602.db2.gz XZOFYDJTTBSVNK-KRWDZBQOSA-N 0 3 322.449 1.687 20 10 DDCDHN COc1cc(C)cc(CN2CCc3nn(C)c(=O)cc3C2)c1O ZINC000754736135 700523572 /nfs/dbraw/zinc/52/35/72/700523572.db2.gz HLMLRFRQFMXBIM-UHFFFAOYSA-N 0 3 315.373 1.361 20 10 DDCDHN CCOC(=O)C1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768437798 701176927 /nfs/dbraw/zinc/17/69/27/701176927.db2.gz HYLLNZMMVXEWPA-OAHLLOKOSA-N 0 3 321.373 1.593 20 10 DDCDHN COc1cc(O)c(CNCCS(=O)(=O)C(C)C)cc1OC ZINC000809790923 701689702 /nfs/dbraw/zinc/68/97/02/701689702.db2.gz SIJLRQRUFWJFLZ-UHFFFAOYSA-N 0 3 317.407 1.322 20 10 DDCDHN COc1cccc(O)c1CN1CCN(C2CCOCC2)CC1 ZINC000769468645 701246456 /nfs/dbraw/zinc/24/64/56/701246456.db2.gz LXPRDILNRWEQKD-UHFFFAOYSA-N 0 3 306.406 1.697 20 10 DDCDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)N1CCC[C@@H](C)C1 ZINC000841007477 702307984 /nfs/dbraw/zinc/30/79/84/702307984.db2.gz OGGAHFKKCDPRNG-OLZOCXBDSA-N 0 3 318.421 1.444 20 10 DDCDHN COc1c([O-])c(CN2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841100107 702346535 /nfs/dbraw/zinc/34/65/35/702346535.db2.gz UVODBEPOLUEUPC-JQWIXIFHSA-N 0 3 309.366 1.726 20 10 DDCDHN O=C1CNCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000843066571 702812602 /nfs/dbraw/zinc/81/26/02/702812602.db2.gz YGIZGKJAKSKRGK-CQSZACIVSA-N 0 3 323.824 1.442 20 10 DDCDHN O=C1CNCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000843066571 702812605 /nfs/dbraw/zinc/81/26/05/702812605.db2.gz YGIZGKJAKSKRGK-CQSZACIVSA-N 0 3 323.824 1.442 20 10 DDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000866441363 706700214 /nfs/dbraw/zinc/70/02/14/706700214.db2.gz ZXXUCBDEVUUZSY-DCAQKATOSA-N 0 3 324.377 1.118 20 10 DDCDHN CC[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(C)cc1[O-] ZINC000866522246 706720947 /nfs/dbraw/zinc/72/09/47/706720947.db2.gz UITBGBNVCGCDEO-PBHICJAKSA-N 0 3 320.389 1.963 20 10 DDCDHN Cc1ncc(CNCc2ccc(N3CCC(O)CC3)cc2)n1C ZINC000850406896 703729944 /nfs/dbraw/zinc/72/99/44/703729944.db2.gz YFFONYPIVKODRK-UHFFFAOYSA-N 0 3 314.433 1.979 20 10 DDCDHN Cn1cc(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)nn1 ZINC000859191291 704816767 /nfs/dbraw/zinc/81/67/67/704816767.db2.gz YTRUPDMTZZDDOZ-MRXNPFEDSA-N 0 3 316.405 1.744 20 10 DDCDHN Cn1cc(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)nn1 ZINC000859191291 704816774 /nfs/dbraw/zinc/81/67/74/704816774.db2.gz YTRUPDMTZZDDOZ-MRXNPFEDSA-N 0 3 316.405 1.744 20 10 DDCDHN Cc1cc(CN2C[C@H](O)C[C@H](O)C2)ccc1N1CCCCC1 ZINC000827956789 706093709 /nfs/dbraw/zinc/09/37/09/706093709.db2.gz JLUPEJLSHNUNET-CALCHBBNSA-N 0 3 304.434 1.913 20 10 DDCDHN COC(=O)C1=NO[C@]2(CCN(Cc3cccc(C)c3O)C2)C1 ZINC000877715110 706186598 /nfs/dbraw/zinc/18/65/98/706186598.db2.gz UYIREZIITSGKAJ-MRXNPFEDSA-N 0 3 304.346 1.594 20 10 DDCDHN COCCN(C)C(=[NH2+])NCc1cc(Br)ccc1[O-] ZINC000871605447 707138103 /nfs/dbraw/zinc/13/81/03/707138103.db2.gz FMMNBPHFSGBIPT-UHFFFAOYSA-N 0 3 316.199 1.757 20 10 DDCDHN [O-]c1ccc(F)cc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000839164552 708031929 /nfs/dbraw/zinc/03/19/29/708031929.db2.gz ARMFRSVRTORGPC-UHFFFAOYSA-N 0 3 324.396 1.502 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(C)(C)CNS(C)(=O)=O ZINC000896727421 708133311 /nfs/dbraw/zinc/13/33/11/708133311.db2.gz XRHQDECETAMJGJ-UHFFFAOYSA-N 0 3 313.467 1.478 20 10 DDCDHN COCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000884203115 708187563 /nfs/dbraw/zinc/18/75/63/708187563.db2.gz PHAABBIUZPFZGO-XJKSGUPXSA-N 0 3 321.421 1.064 20 10 DDCDHN C[C@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1ccccc1[O-] ZINC000886696485 708816158 /nfs/dbraw/zinc/81/61/58/708816158.db2.gz PCCZEJZOMWMLSB-NSHDSACASA-N 0 3 313.361 1.027 20 10 DDCDHN C[C@@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103126 708983959 /nfs/dbraw/zinc/98/39/59/708983959.db2.gz WOOFCLLINKLMEM-SWLSCSKDSA-N 0 3 308.426 1.035 20 10 DDCDHN C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(F)cc(F)c1[O-] ZINC000895026677 711375094 /nfs/dbraw/zinc/37/50/94/711375094.db2.gz YSSZSRVYRZWESR-QWRGUYRKSA-N 0 3 300.349 1.557 20 10 DDCDHN C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc(F)cc(F)c1[O-] ZINC000895026677 711375095 /nfs/dbraw/zinc/37/50/95/711375095.db2.gz YSSZSRVYRZWESR-QWRGUYRKSA-N 0 3 300.349 1.557 20 10 DDCDHN CN(C)S(=O)(=O)C1(CNCc2ccc3c(c2)CCCO3)CC1 ZINC000922340208 714024358 /nfs/dbraw/zinc/02/43/58/714024358.db2.gz WZRXEZUPMGSQRK-UHFFFAOYSA-N 0 3 324.446 1.525 20 10 DDCDHN CC(=O)N1CCC2(C1)CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001203874857 747125212 /nfs/dbraw/zinc/12/52/12/747125212.db2.gz DINMRKDGMHSMNS-UHFFFAOYSA-N 0 3 304.390 1.932 20 10 DDCDHN COc1cc(O)c(CNCc2cnc3n2CCOC3)cc1OC ZINC001119986350 781710412 /nfs/dbraw/zinc/71/04/12/781710412.db2.gz AZMOCBPGBUGARX-UHFFFAOYSA-N 0 3 319.361 1.426 20 10 DDCDHN COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2[O-])C1=O ZINC001272618638 846414723 /nfs/dbraw/zinc/41/47/23/846414723.db2.gz KWUYRNORTINYSD-SFHVURJKSA-N 0 3 318.417 1.996 20 10 DDCDHN COCCCN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2[O-])C1=O ZINC001272618638 846414731 /nfs/dbraw/zinc/41/47/31/846414731.db2.gz KWUYRNORTINYSD-SFHVURJKSA-N 0 3 318.417 1.996 20 10 DDCDHN CN(C)c1ccc([C@H](O)C(=O)N2CC[C@H]3[C@@H]2CCN3C)cc1 ZINC001272779057 847415953 /nfs/dbraw/zinc/41/59/53/847415953.db2.gz FIKYWJMTUUNWBY-JYJNAYRXSA-N 0 3 303.406 1.091 20 10 DDCDHN Cc1cc(F)cc(CN2CCOC[C@@]3(CC(=O)N(C)C3)C2)c1O ZINC001274100293 851927515 /nfs/dbraw/zinc/92/75/15/851927515.db2.gz ZXJDVPSNPWRTCM-QGZVFWFLSA-N 0 3 322.380 1.520 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC(=O)[C@H](F)CC3)cc2)CC1 ZINC001139407957 860389437 /nfs/dbraw/zinc/38/94/37/860389437.db2.gz HVHVMILQPWAOBI-QGZVFWFLSA-N 0 3 319.424 1.941 20 10 DDCDHN CN1CCN(c2ccc(CN3CC4(C3)CS(=O)C4)cc2)CC1 ZINC001139408796 860391239 /nfs/dbraw/zinc/39/12/39/860391239.db2.gz QZDFMXRQPNIWDF-UHFFFAOYSA-N 0 3 319.474 1.003 20 10 DDCDHN Cc1ccc(C)c(CN2Cc3ccnn3CC[C@H]2CO)c1O ZINC001140185408 860588172 /nfs/dbraw/zinc/58/81/72/860588172.db2.gz UVUUQHJMDZILRV-HNNXBMFYSA-N 0 3 301.390 1.972 20 10 DDCDHN CCS(=O)(=O)CCN[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001335413889 868281104 /nfs/dbraw/zinc/28/11/04/868281104.db2.gz RZNGONHOHVIRFM-ZDUSSCGKSA-N 0 3 312.435 1.298 20 10 DDCDHN COc1cccc(CN2CC[C@H]3O[C@@H](C(=O)N(C)C)C[C@H]32)c1O ZINC001203591268 870655831 /nfs/dbraw/zinc/65/58/31/870655831.db2.gz FUKPHQDOQQGSGG-UMVBOHGHSA-N 0 3 320.389 1.221 20 10 DDCDHN COc1ccc(O)c(CN2CCc3[nH]c(=O)[nH]c(=O)c3C2)c1 ZINC001203678905 870709560 /nfs/dbraw/zinc/70/95/60/870709560.db2.gz UVDFDEYVKVOUAX-UHFFFAOYSA-N 0 3 303.318 1.160 20 10 DDCDHN COc1ccc(O)c(CN2CC[C@H](Oc3ncccn3)C2)c1 ZINC001203684499 870710626 /nfs/dbraw/zinc/71/06/26/870710626.db2.gz YNVFSSRQXUCXFO-AWEZNQCLSA-N 0 3 301.346 1.844 20 10 DDCDHN CC(C)[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCN1 ZINC001301116982 870976579 /nfs/dbraw/zinc/97/65/79/870976579.db2.gz OHKMMNMOIVVLPK-CYBMUJFWSA-N 0 3 303.366 1.919 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)c1ncoc1C1CC[NH2+]CC1 ZINC001342614732 872295505 /nfs/dbraw/zinc/29/55/05/872295505.db2.gz XKLMAHGIVKXJOY-UHFFFAOYSA-N 0 3 319.336 1.916 20 10 DDCDHN CN1CC[N@H+](Cc2cccc(F)c2[O-])C[C@]2(CCCC(=O)N2)C1 ZINC001276537711 873341227 /nfs/dbraw/zinc/34/12/27/873341227.db2.gz LNOXUKBJXPGWSZ-KRWDZBQOSA-N 0 3 321.396 1.318 20 10 DDCDHN CN1CC[N@@H+](Cc2cccc(F)c2[O-])C[C@]2(CCCC(=O)N2)C1 ZINC001276537711 873341238 /nfs/dbraw/zinc/34/12/38/873341238.db2.gz LNOXUKBJXPGWSZ-KRWDZBQOSA-N 0 3 321.396 1.318 20 10 DDCDHN [O-]c1cc(F)c(F)cc1CN1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222681277 880646329 /nfs/dbraw/zinc/64/63/29/880646329.db2.gz PRQGGMJZBAORPQ-INIZCTEOSA-N 0 3 311.376 1.588 20 10 DDCDHN Cc1cccc(CN2CCC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)c1O ZINC001231591882 885750934 /nfs/dbraw/zinc/75/09/34/885750934.db2.gz DZRNEJDNAWMHMP-HIFRSBDPSA-N 0 3 324.446 1.556 20 10 DDCDHN COc1cc(CN2CCC3(CC(=O)CO3)CC2)c(O)cc1O ZINC001231632992 885769443 /nfs/dbraw/zinc/76/94/43/885769443.db2.gz HEPKZRBEODYQAP-UHFFFAOYSA-N 0 3 307.346 1.430 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](O)[C@@H](CO)C3)c2c1 ZINC001234526085 888055464 /nfs/dbraw/zinc/05/54/64/888055464.db2.gz QGJUSFMTBLBIRO-CXAGYDPISA-N 0 3 317.385 1.729 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](O)[C@@H](CO)C3)c2c1 ZINC001234526085 888055481 /nfs/dbraw/zinc/05/54/81/888055481.db2.gz QGJUSFMTBLBIRO-CXAGYDPISA-N 0 3 317.385 1.729 20 10 DDCDHN CCN1CCN(c2ccc(OC[C@@H]3CCC(=O)O3)cc2)CC1 ZINC001234657222 888172774 /nfs/dbraw/zinc/17/27/74/888172774.db2.gz CRFUVAHFVHNMDF-INIZCTEOSA-N 0 3 304.390 1.913 20 10 DDCDHN COc1cc(O)c(CN2CC[C@@H](N(C)C(C)=O)C2)cc1OC ZINC001236751267 889328817 /nfs/dbraw/zinc/32/88/17/889328817.db2.gz DTWYTBXQTAMCNK-CYBMUJFWSA-N 0 3 308.378 1.462 20 10 DDCDHN COc1cc(CN2CC[C@H](N(C)C(C)=O)C2)c(O)c(OC)c1 ZINC001237684918 889805097 /nfs/dbraw/zinc/80/50/97/889805097.db2.gz TUJDIMZZNZOAFW-ZDUSSCGKSA-N 0 3 308.378 1.462 20 10 DDCDHN O=C(N1CC=CC1)C12CC([NH2+]Cc3cc(F)ccc3[O-])(C1)C2 ZINC001278256219 890286505 /nfs/dbraw/zinc/28/65/05/890286505.db2.gz DKFOIWGZVKKALA-UHFFFAOYSA-N 0 3 302.349 1.942 20 10 DDCDHN CN(C)C(=O)[C@@H]1COCCC12CN(Cc1cc(F)ccc1O)C2 ZINC001278255244 890289028 /nfs/dbraw/zinc/28/90/28/890289028.db2.gz QFYAMQZVDSBIBJ-AWEZNQCLSA-N 0 3 322.380 1.458 20 10 DDCDHN CN(C)C(=O)[C@@H]1COCCC12C[NH+](Cc1cc(F)ccc1[O-])C2 ZINC001278255244 890289041 /nfs/dbraw/zinc/28/90/41/890289041.db2.gz QFYAMQZVDSBIBJ-AWEZNQCLSA-N 0 3 322.380 1.458 20 10 DDCDHN COC(=O)Cc1ccc(CN2CCC3(C2)OCCO3)c(O)c1 ZINC001249201267 893862168 /nfs/dbraw/zinc/86/21/68/893862168.db2.gz MIOUJZYSEIKRLF-UHFFFAOYSA-N 0 3 307.346 1.057 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3OCCC[C@@H]3C1)[C@H](O)CO2 ZINC001253981514 896198498 /nfs/dbraw/zinc/19/84/98/896198498.db2.gz QFANYUJGZDATKZ-LYRGGWFBSA-N 0 3 305.374 1.819 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3OCCC[C@@H]3C1)[C@H](O)CO2 ZINC001253981514 896198503 /nfs/dbraw/zinc/19/85/03/896198503.db2.gz QFANYUJGZDATKZ-LYRGGWFBSA-N 0 3 305.374 1.819 20 10 DDCDHN COc1cc(O)c(CN2CCC(CNC(C)=O)CC2)cc1OC ZINC000271117731 407523362 /nfs/dbraw/zinc/52/33/62/407523362.db2.gz WSDHGRRCBQFYBX-UHFFFAOYSA-N 0 3 322.405 1.758 20 10 DDCDHN CCOc1cccc(C[NH2+][C@@H](C)CCN2CCN(C)CC2)c1[O-] ZINC000185880914 407527751 /nfs/dbraw/zinc/52/77/51/407527751.db2.gz VIJNIYWMLAMDFM-HNNXBMFYSA-N 0 3 321.465 1.907 20 10 DDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c1 ZINC000186168457 407592995 /nfs/dbraw/zinc/59/29/95/407592995.db2.gz GCQRXHSCRQZIFG-QWHCGFSZSA-N 0 3 312.435 1.775 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1COC3(CCCC3)O1)OCO2 ZINC000271380727 407661480 /nfs/dbraw/zinc/66/14/80/407661480.db2.gz DHILUBHSWLZJHN-LBPRGKRZSA-N 0 3 307.346 1.896 20 10 DDCDHN COc1cc(O)c(CN2CCC(n3cncn3)CC2)cc1OC ZINC000160239646 408465137 /nfs/dbraw/zinc/46/51/37/408465137.db2.gz PRPROJQXNTYUPW-UHFFFAOYSA-N 0 3 318.377 1.838 20 10 DDCDHN Cc1cc(C)c([C@H](C)[NH2+]CCS(=O)(=O)N(C)C)c([O-])c1 ZINC000293964441 409215946 /nfs/dbraw/zinc/21/59/46/409215946.db2.gz AIVIGTCMHGMSBD-LBPRGKRZSA-N 0 3 300.424 1.551 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CC2(S(C)(=O)=O)CC2)c1[O-] ZINC000279686959 409246170 /nfs/dbraw/zinc/24/61/70/409246170.db2.gz PGXWFQCMGYZOGU-UHFFFAOYSA-N 0 3 319.810 1.721 20 10 DDCDHN COc1cc(O)c(CNCC2(S(C)(=O)=O)CC2)cc1OC ZINC000279759412 409248414 /nfs/dbraw/zinc/24/84/14/409248414.db2.gz ZOCVNNGYDAHFKJ-UHFFFAOYSA-N 0 3 315.391 1.076 20 10 DDCDHN CCS(=O)(=O)NC1CCN(Cc2cccc(C)c2O)CC1 ZINC000289523945 409280165 /nfs/dbraw/zinc/28/01/65/409280165.db2.gz VQQOQCXNUBXCOJ-UHFFFAOYSA-N 0 3 312.435 1.604 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000296590411 409626627 /nfs/dbraw/zinc/62/66/27/409626627.db2.gz UXSAWPYHWALCGD-NEPJUHHUSA-N 0 3 300.424 1.679 20 10 DDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000318172201 409872605 /nfs/dbraw/zinc/87/26/05/409872605.db2.gz IMNBOVQCBDYASD-AWEZNQCLSA-N 0 3 305.353 1.887 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCO[C@@]3(CCOC3)C1)OCO2 ZINC000374281843 418514364 /nfs/dbraw/zinc/51/43/64/418514364.db2.gz CWFJBXNZXTYQDY-WBMJQRKESA-N 0 3 307.346 1.549 20 10 DDCDHN COc1ccc(O)c(CN2CC[C@@H](NC(=O)C3CCC3)C2)c1 ZINC000378437882 418723593 /nfs/dbraw/zinc/72/35/93/418723593.db2.gz HKUIOPPKGKVAMM-CQSZACIVSA-N 0 3 304.390 1.891 20 10 DDCDHN C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1ccccc1[O-] ZINC000378513057 418724810 /nfs/dbraw/zinc/72/48/10/418724810.db2.gz ZLFFLVAGHUCHCA-AAEUAGOBSA-N 0 3 300.362 1.582 20 10 DDCDHN CCCOc1ccc(CN2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC000368814537 418726106 /nfs/dbraw/zinc/72/61/06/418726106.db2.gz TXDQKOSIUGKBCE-HNNXBMFYSA-N 0 3 306.406 1.697 20 10 DDCDHN CC(C)NC(=O)CN1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000373125618 418929212 /nfs/dbraw/zinc/92/92/12/418929212.db2.gz NIHKNCUSCWPWBJ-UHFFFAOYSA-N 0 3 305.422 1.425 20 10 DDCDHN CC(C)NC(=O)CN1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000373125618 418929213 /nfs/dbraw/zinc/92/92/13/418929213.db2.gz NIHKNCUSCWPWBJ-UHFFFAOYSA-N 0 3 305.422 1.425 20 10 DDCDHN COc1cccc(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1[O-] ZINC000527770348 421440257 /nfs/dbraw/zinc/44/02/57/421440257.db2.gz UTRAMYXWAAMART-SFHVURJKSA-N 0 3 315.369 1.857 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000377697781 288167534 /nfs/dbraw/zinc/16/75/34/288167534.db2.gz JAEJYKAWMIRHSN-CYBMUJFWSA-N 0 3 313.423 1.055 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000377697781 288167536 /nfs/dbraw/zinc/16/75/36/288167536.db2.gz JAEJYKAWMIRHSN-CYBMUJFWSA-N 0 3 313.423 1.055 20 10 DDCDHN CN(C)[C@@]1(CNC(=O)N(C)Cc2ccccc2O)CCSC1 ZINC000267149587 522061553 /nfs/dbraw/zinc/06/15/53/522061553.db2.gz HBESVZFURGTEGT-MRXNPFEDSA-N 0 3 323.462 1.971 20 10 DDCDHN COCCN(C)CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180926727 523575484 /nfs/dbraw/zinc/57/54/84/523575484.db2.gz DGFWFBSGPYXNNT-FNORWQNLSA-N 0 3 308.378 1.196 20 10 DDCDHN C[C@@H](NCCC(=O)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178296699 525428612 /nfs/dbraw/zinc/42/86/12/525428612.db2.gz DFPVIXMJFCASBE-CYBMUJFWSA-N 0 3 323.412 1.791 20 10 DDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@@]12CCCO2 ZINC000273628306 535506760 /nfs/dbraw/zinc/50/67/60/535506760.db2.gz SEASISQGJFCAKN-BBWFWOEESA-N 0 3 321.373 1.937 20 10 DDCDHN C[C@@H](N[C@@H]1CCN(C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000116390080 696667906 /nfs/dbraw/zinc/66/79/06/696667906.db2.gz IQZRPMKCUPUCIS-CZUORRHYSA-N 0 3 303.406 1.405 20 10 DDCDHN COc1cc(CN2CCN(CC(C)(C)O)[C@H](C)C2)c(O)cc1C ZINC000188963107 697568259 /nfs/dbraw/zinc/56/82/59/697568259.db2.gz BNQFZPQBQRKRBW-CQSZACIVSA-N 0 3 322.449 1.986 20 10 DDCDHN C[C@@H](NCC(=O)N1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000775261082 697977258 /nfs/dbraw/zinc/97/72/58/697977258.db2.gz SKMBVRQGZCOZKJ-OAHLLOKOSA-N 0 3 317.433 1.796 20 10 DDCDHN COc1cc(O)c(CN[C@@H]2CCCS(=O)(=O)C2)cc1OC ZINC000776213769 698082219 /nfs/dbraw/zinc/08/22/19/698082219.db2.gz WQULMATYNMPXGG-LLVKDONJSA-N 0 3 315.391 1.076 20 10 DDCDHN CNS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000784053231 698905771 /nfs/dbraw/zinc/90/57/71/698905771.db2.gz YZIAZAYTIUJSKK-WCBMZHEXSA-N 0 3 302.371 1.218 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCCS(=O)(=O)CC2CC2)c1 ZINC000756762672 700640033 /nfs/dbraw/zinc/64/00/33/700640033.db2.gz QDDOGRXZUXQYTJ-NSHDSACASA-N 0 3 313.419 1.876 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000768938404 701217461 /nfs/dbraw/zinc/21/74/61/701217461.db2.gz ZKQYWAVHPHFBIJ-AWEZNQCLSA-N 0 3 306.406 1.697 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000768938404 701217464 /nfs/dbraw/zinc/21/74/64/701217464.db2.gz ZKQYWAVHPHFBIJ-AWEZNQCLSA-N 0 3 306.406 1.697 20 10 DDCDHN CN(Cc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1O ZINC000811519118 701996269 /nfs/dbraw/zinc/99/62/69/701996269.db2.gz VWYWGKNLVGFTII-UHFFFAOYSA-N 0 3 306.387 1.672 20 10 DDCDHN C[N@H+](Cc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1[O-] ZINC000811519118 701996275 /nfs/dbraw/zinc/99/62/75/701996275.db2.gz VWYWGKNLVGFTII-UHFFFAOYSA-N 0 3 306.387 1.672 20 10 DDCDHN C[N@@H+](Cc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1[O-] ZINC000811519118 701996280 /nfs/dbraw/zinc/99/62/80/701996280.db2.gz VWYWGKNLVGFTII-UHFFFAOYSA-N 0 3 306.387 1.672 20 10 DDCDHN CC(C)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)[C@]1(O)CCOC1 ZINC000842759452 702768456 /nfs/dbraw/zinc/76/84/56/702768456.db2.gz WRNQEIUVNJFWPS-INIZCTEOSA-N 0 3 309.362 1.388 20 10 DDCDHN O=C1CC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)N1 ZINC000844305656 703009113 /nfs/dbraw/zinc/00/91/13/703009113.db2.gz DPJLUQNFIPQQPO-GJZGRUSLSA-N 0 3 304.390 1.652 20 10 DDCDHN O=C1CC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)N1 ZINC000844305656 703009116 /nfs/dbraw/zinc/00/91/16/703009116.db2.gz DPJLUQNFIPQQPO-GJZGRUSLSA-N 0 3 304.390 1.652 20 10 DDCDHN CCON(C)C(=O)CNCc1cc(Cl)cc(OC)c1O ZINC000846064973 703233248 /nfs/dbraw/zinc/23/32/48/703233248.db2.gz OYIXOZHXLGRESA-UHFFFAOYSA-N 0 3 302.758 1.554 20 10 DDCDHN COc1cccc([C@H](C)NCCS(=O)(=O)NC(C)C)c1O ZINC000846148730 703242828 /nfs/dbraw/zinc/24/28/28/703242828.db2.gz BJWQTGIHUKNSEK-NSHDSACASA-N 0 3 316.423 1.379 20 10 DDCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)c1ccccc1[O-] ZINC000879649192 706749603 /nfs/dbraw/zinc/74/96/03/706749603.db2.gz NOAZPPBVMVTMIK-FRRDWIJNSA-N 0 3 319.405 1.155 20 10 DDCDHN Cc1cc(C)c(O)c(CN2CCN(c3nncn3C)CC2)c1 ZINC000848496865 703557886 /nfs/dbraw/zinc/55/78/86/703557886.db2.gz FWRNLKVLYUKFMF-UHFFFAOYSA-N 0 3 301.394 1.460 20 10 DDCDHN CN1CCN(c2ccnc(NC(=O)C3=CC(=O)CS3)c2)CC1 ZINC000870665574 704098814 /nfs/dbraw/zinc/09/88/14/704098814.db2.gz ZNQYMQFHHBKLOQ-UHFFFAOYSA-N 0 3 318.402 1.853 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C2)cc1 ZINC000852899998 704166433 /nfs/dbraw/zinc/16/64/33/704166433.db2.gz GCBSRYBIWJPGBF-IUODEOHRSA-N 0 3 305.422 1.764 20 10 DDCDHN COc1cc(O)c(CN2CC[C@](O)(C(F)F)C2)cc1OC ZINC000824726765 705517490 /nfs/dbraw/zinc/51/74/90/705517490.db2.gz SWEMXESTKSBADV-CQSZACIVSA-N 0 3 303.305 1.611 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@](OC)(C(=O)OC)C2)c([O-])c1 ZINC000862473596 705720432 /nfs/dbraw/zinc/72/04/32/705720432.db2.gz BHVPMXXZMMJCAX-MRXNPFEDSA-N 0 3 309.362 1.555 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@](OC)(C(=O)OC)C2)c([O-])c1 ZINC000862473596 705720437 /nfs/dbraw/zinc/72/04/37/705720437.db2.gz BHVPMXXZMMJCAX-MRXNPFEDSA-N 0 3 309.362 1.555 20 10 DDCDHN CN1CCN(CCCC[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876928820 705928221 /nfs/dbraw/zinc/92/82/21/705928221.db2.gz OYOXRJJSXVLAJH-UHFFFAOYSA-N 0 3 313.392 1.788 20 10 DDCDHN CN(C)c1ccc(/C=C\CNCC(=O)N2CCN(C)CC2)cc1 ZINC000835035302 707160287 /nfs/dbraw/zinc/16/02/87/707160287.db2.gz GSNPTIYWMQSLSR-PLNGDYQASA-N 0 3 316.449 1.129 20 10 DDCDHN C[C@@H](NC(=O)[C@@H](N)CC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000884202563 708187227 /nfs/dbraw/zinc/18/72/27/708187227.db2.gz BNJNCPRCHCABHS-DYVFJYSZSA-N 0 3 317.433 1.828 20 10 DDCDHN COCC[C@H](N)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000884368980 708266738 /nfs/dbraw/zinc/26/67/38/708266738.db2.gz OPQWAHIHYZMKLC-CJNGLKHVSA-N 0 3 321.421 1.002 20 10 DDCDHN COc1ccc(O)c(CNC(=O)c2ccnn2CCN(C)C)c1 ZINC000901134546 709940412 /nfs/dbraw/zinc/94/04/12/709940412.db2.gz ZPOMHHOVZJTUHP-UHFFFAOYSA-N 0 3 318.377 1.089 20 10 DDCDHN COC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254161 710143170 /nfs/dbraw/zinc/14/31/70/710143170.db2.gz WOGSVNPNHABVEF-HNNXBMFYSA-N 0 3 307.438 1.897 20 10 DDCDHN CCC[C@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891258412 710144596 /nfs/dbraw/zinc/14/45/96/710144596.db2.gz SEDUKNPZXPMTTP-CVEARBPZSA-N 0 3 307.438 1.633 20 10 DDCDHN C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(F)ccc1[O-] ZINC000903399492 711114616 /nfs/dbraw/zinc/11/46/16/711114616.db2.gz XBPAMZBPEIBAJZ-ZYHUDNBSSA-N 0 3 318.352 1.956 20 10 DDCDHN COc1ccc(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)c([O-])c1OC ZINC000894940219 711329476 /nfs/dbraw/zinc/32/94/76/711329476.db2.gz RVKNSXLCSYZIOG-ZDUSSCGKSA-N 0 3 322.405 1.898 20 10 DDCDHN COc1ccc(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c([O-])c1OC ZINC000894940219 711329480 /nfs/dbraw/zinc/32/94/80/711329480.db2.gz RVKNSXLCSYZIOG-ZDUSSCGKSA-N 0 3 322.405 1.898 20 10 DDCDHN COc1cc(C)cc(CN2C[C@H](C)N(CCO)C[C@@H]2C)c1O ZINC000895024791 711374075 /nfs/dbraw/zinc/37/40/75/711374075.db2.gz NGPHUYQKMGJLRR-KBPBESRZSA-N 0 3 308.422 1.596 20 10 DDCDHN C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])[C@@H](C)C[N@@H+]1CCO ZINC000895026676 711374752 /nfs/dbraw/zinc/37/47/52/711374752.db2.gz YSSZSRVYRZWESR-MNOVXSKESA-N 0 3 300.349 1.557 20 10 DDCDHN C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])[C@@H](C)C[N@H+]1CCO ZINC000895026676 711374758 /nfs/dbraw/zinc/37/47/58/711374758.db2.gz YSSZSRVYRZWESR-MNOVXSKESA-N 0 3 300.349 1.557 20 10 DDCDHN COc1ccc(CN[C@@H](C)[C@H](O)C(F)(F)F)c(O)c1OC ZINC000895759496 711597903 /nfs/dbraw/zinc/59/79/03/711597903.db2.gz HNWAQGXLOQWHKX-MADCSZMMSA-N 0 3 309.284 1.811 20 10 DDCDHN CCN1CCCC[C@H]1C(=O)NCCc1cc(O)c(O)cc1O ZINC001181996658 743426635 /nfs/dbraw/zinc/42/66/35/743426635.db2.gz MLVVTROKVKDSFE-LBPRGKRZSA-N 0 3 308.378 1.337 20 10 DDCDHN Oc1cc(O)c(CN2CC(N3CCC(F)(F)CC3)C2)c(O)c1 ZINC001144514618 772558390 /nfs/dbraw/zinc/55/83/90/772558390.db2.gz MEJNTDXVCPPHKH-UHFFFAOYSA-N 0 3 314.332 1.719 20 10 DDCDHN COc1ccc(CN2CCN(CC(C)(C)O)CC2)c(O)c1OC ZINC001120015022 781722951 /nfs/dbraw/zinc/72/29/51/781722951.db2.gz WQYXXTIUNLLFOS-UHFFFAOYSA-N 0 3 324.421 1.298 20 10 DDCDHN CCOCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618097 846415297 /nfs/dbraw/zinc/41/52/97/846415297.db2.gz BJMQWJHKTQHGBK-GOSISDBHSA-N 0 3 318.417 1.853 20 10 DDCDHN CCOCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618097 846415301 /nfs/dbraw/zinc/41/53/01/846415301.db2.gz BJMQWJHKTQHGBK-GOSISDBHSA-N 0 3 318.417 1.853 20 10 DDCDHN COCCOCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc(O)cc1O ZINC001275953486 854008442 /nfs/dbraw/zinc/00/84/42/854008442.db2.gz XQWGTGRWYGBRTQ-GASCZTMLSA-N 0 3 322.405 1.367 20 10 DDCDHN NC(=O)COc1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001138872406 860219706 /nfs/dbraw/zinc/21/97/06/860219706.db2.gz GHXDZNFEDNKSRJ-UHFFFAOYSA-N 0 3 312.369 1.815 20 10 DDCDHN NC(=O)COc1ccc(C[N@H+]2CCc3cccc([O-])c3C2)cc1 ZINC001138872406 860219717 /nfs/dbraw/zinc/21/97/17/860219717.db2.gz GHXDZNFEDNKSRJ-UHFFFAOYSA-N 0 3 312.369 1.815 20 10 DDCDHN CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C[C@H]21 ZINC001140063761 860567467 /nfs/dbraw/zinc/56/74/67/860567467.db2.gz YWZDJDITYLVGMZ-IJEWVQPXSA-N 0 3 322.380 1.504 20 10 DDCDHN CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]21 ZINC001140063761 860567475 /nfs/dbraw/zinc/56/74/75/860567475.db2.gz YWZDJDITYLVGMZ-IJEWVQPXSA-N 0 3 322.380 1.504 20 10 DDCDHN CN1CCOc2cc(CN3CC[C@@](C)(CO)[C@@H](O)C3)ccc21 ZINC001141141526 860793335 /nfs/dbraw/zinc/79/33/35/860793335.db2.gz ZRANNCMCEFLNDK-IRXDYDNUSA-N 0 3 306.406 1.080 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CN(Cc3cc(O)ccc3O)CC[C@@H]2C1 ZINC001141157632 860798046 /nfs/dbraw/zinc/79/80/46/860798046.db2.gz KRKFUJGBSVLVMC-CXAGYDPISA-N 0 3 320.389 1.167 20 10 DDCDHN CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001320461561 866755355 /nfs/dbraw/zinc/75/53/55/866755355.db2.gz QFSQSDHMBCDLIR-WFASDCNBSA-N 0 3 321.373 1.736 20 10 DDCDHN CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001320461561 866755369 /nfs/dbraw/zinc/75/53/69/866755369.db2.gz QFSQSDHMBCDLIR-WFASDCNBSA-N 0 3 321.373 1.736 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CSCN2)N(C)C)cc1 ZINC001343165349 872523954 /nfs/dbraw/zinc/52/39/54/872523954.db2.gz FUXKZRATKIEWHC-LSDHHAIUSA-N 0 3 322.478 1.134 20 10 DDCDHN CN(C)C(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]2O1 ZINC001277192410 882924984 /nfs/dbraw/zinc/92/49/84/882924984.db2.gz NWBWMLQXPNENNQ-XPKDYRNWSA-N 0 3 320.389 1.165 20 10 DDCDHN CN(C)C(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]2O1 ZINC001277192410 882924998 /nfs/dbraw/zinc/92/49/98/882924998.db2.gz NWBWMLQXPNENNQ-XPKDYRNWSA-N 0 3 320.389 1.165 20 10 DDCDHN CN1C[C@@H]2CN(c3nnc(C4SC=CC4=O)n3C)C[C@]2(C)C1 ZINC001350471039 875708726 /nfs/dbraw/zinc/70/87/26/875708726.db2.gz VXCWEQNSEJZGPB-BMIGLBTASA-N 0 3 319.434 1.637 20 10 DDCDHN COc1cc([N+](=O)[O-])c(N2CC(N[C@H]3CCOC3)C2)cc1OC ZINC001472888315 878324156 /nfs/dbraw/zinc/32/41/56/878324156.db2.gz HIRXOHNDSOCDIE-JTQLQIEISA-N 0 3 323.349 1.179 20 10 DDCDHN CN(C)C(=O)[C@@H]1COCCC12CN(Cc1cc(O)ccc1O)C2 ZINC001277660251 886335186 /nfs/dbraw/zinc/33/51/86/886335186.db2.gz RPRYQXIUCLDROV-AWEZNQCLSA-N 0 3 320.389 1.025 20 10 DDCDHN COc1cc(O)c(CN2CC(N(C)C)C2)cc1Br ZINC001233135377 886810397 /nfs/dbraw/zinc/81/03/97/886810397.db2.gz RMWRHTKADRHCOD-UHFFFAOYSA-N 0 3 315.211 1.909 20 10 DDCDHN CCc1ccc(C[NH+]2CCC(NC(=O)COC)CC2)c([O-])c1 ZINC001236795758 889361214 /nfs/dbraw/zinc/36/12/14/889361214.db2.gz ZPMCEAJNCJXIFI-UHFFFAOYSA-N 0 3 306.406 1.682 20 10 DDCDHN CNC(=O)CC[N@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237111573 889507758 /nfs/dbraw/zinc/50/77/58/889507758.db2.gz SJRCUYJVRXSVIM-UHFFFAOYSA-N 0 3 306.284 1.859 20 10 DDCDHN CNC(=O)CC[N@@H+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237111573 889507771 /nfs/dbraw/zinc/50/77/71/889507771.db2.gz SJRCUYJVRXSVIM-UHFFFAOYSA-N 0 3 306.284 1.859 20 10 DDCDHN COCCN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278255424 890287093 /nfs/dbraw/zinc/28/70/93/890287093.db2.gz UJXDLCHQIYKAMR-CXAGYDPISA-N 0 3 322.380 1.458 20 10 DDCDHN COCCN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278255424 890287110 /nfs/dbraw/zinc/28/71/10/890287110.db2.gz UJXDLCHQIYKAMR-CXAGYDPISA-N 0 3 322.380 1.458 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](CO)CC2)c([O-])c1 ZINC001249173243 893854636 /nfs/dbraw/zinc/85/46/36/893854636.db2.gz SBRPXSWCTONYJC-ZDUSSCGKSA-N 0 3 307.390 1.702 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](CO)CC2)c([O-])c1 ZINC001249173243 893854657 /nfs/dbraw/zinc/85/46/57/893854657.db2.gz SBRPXSWCTONYJC-ZDUSSCGKSA-N 0 3 307.390 1.702 20 10 DDCDHN CC(=O)N1CCC(N2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001254430028 896444015 /nfs/dbraw/zinc/44/40/15/896444015.db2.gz RLIOSWCOQDKYQV-UHFFFAOYSA-N 0 3 304.390 1.857 20 10 DDCDHN Cc1ccc(O)c(CN2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC000092530540 353861616 /nfs/dbraw/zinc/86/16/16/353861616.db2.gz WEEVPGAKPCCDBA-UHFFFAOYSA-N 0 3 312.435 1.556 20 10 DDCDHN Cc1ccc(O)c(CN2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1 ZINC000092071944 353843946 /nfs/dbraw/zinc/84/39/46/353843946.db2.gz AYRMUXINPFGLHM-CQSZACIVSA-N 0 3 310.419 1.357 20 10 DDCDHN CCN(CC)CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084815150 407095330 /nfs/dbraw/zinc/09/53/30/407095330.db2.gz UDYJAWKVXPBWEC-UHFFFAOYSA-N 0 3 323.412 1.825 20 10 DDCDHN NC(=O)N[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000271352002 407647980 /nfs/dbraw/zinc/64/79/80/407647980.db2.gz PUXHWAHGYNJBLP-OAHLLOKOSA-N 0 3 302.422 1.920 20 10 DDCDHN CCC[C@](C)(N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000272319107 407865257 /nfs/dbraw/zinc/86/52/57/407865257.db2.gz KSDKAGCBSGOHEL-KRWDZBQOSA-N 0 3 323.412 1.796 20 10 DDCDHN O=C(CNC[C@@H]1CCCO1)NCc1ccc(N2CCCC2)cc1 ZINC000269239314 408235546 /nfs/dbraw/zinc/23/55/46/408235546.db2.gz IKXJJWUCXOMBMR-KRWDZBQOSA-N 0 3 317.433 1.672 20 10 DDCDHN CC[C@H](NCC(=O)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000183357923 408391406 /nfs/dbraw/zinc/39/14/06/408391406.db2.gz MRCGUEHDOYLJRQ-INIZCTEOSA-N 0 3 305.422 1.652 20 10 DDCDHN COC[C@](C)(CCO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000184709840 408673559 /nfs/dbraw/zinc/67/35/59/408673559.db2.gz YBDCJEODCBILGF-AWEZNQCLSA-N 0 3 303.786 1.931 20 10 DDCDHN C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000185341845 408797812 /nfs/dbraw/zinc/79/78/12/408797812.db2.gz FFRYINIGBYQNNF-LBPRGKRZSA-N 0 3 309.385 1.346 20 10 DDCDHN N[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CCOCC1 ZINC000282607382 409059786 /nfs/dbraw/zinc/05/97/86/409059786.db2.gz KMYIDIAMPVRYJL-KRWDZBQOSA-N 0 3 317.433 1.657 20 10 DDCDHN C[C@@H](CN1CCOCC1)N(C)Cc1cc2c(cc1O)OCO2 ZINC000278892532 409108888 /nfs/dbraw/zinc/10/88/88/409108888.db2.gz XNVUIUROVXFCLI-LBPRGKRZSA-N 0 3 308.378 1.273 20 10 DDCDHN COc1cccc(CN(C)CCN2CCOC(C)(C)C2)c1O ZINC000279377744 409202677 /nfs/dbraw/zinc/20/26/77/409202677.db2.gz IONTYZDNMABBBR-UHFFFAOYSA-N 0 3 308.422 1.943 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 ZINC000368329716 418719197 /nfs/dbraw/zinc/71/91/97/418719197.db2.gz DUIMCWJVQVYPJQ-DOMZBBRYSA-N 0 3 306.406 1.915 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2)c1 ZINC000362235359 336788939 /nfs/dbraw/zinc/78/89/39/336788939.db2.gz AUQQFPOZBGMVPU-ZDUSSCGKSA-N 0 3 302.378 1.503 20 10 DDCDHN CC1CCN(CCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180930143 521010680 /nfs/dbraw/zinc/01/06/80/521010680.db2.gz PODKCSJTJZETRQ-HWKANZROSA-N 0 3 304.390 1.959 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CNC[C@H]2CCCO2)cc1F ZINC000237082611 522191593 /nfs/dbraw/zinc/19/15/93/522191593.db2.gz BKNRAZMFDMRSBJ-CYBMUJFWSA-N 0 3 309.385 1.277 20 10 DDCDHN C[C@H](NCCNC(=O)c1ccn[nH]1)c1ccc(N(C)C)cc1 ZINC000180215541 525354532 /nfs/dbraw/zinc/35/45/32/525354532.db2.gz KSXBVNLHTRWCTJ-LBPRGKRZSA-N 0 3 301.394 1.556 20 10 DDCDHN Cc1ccc(C(=O)NCCN2CCC([NH+](C)C)CC2)c([O-])c1O ZINC000182560530 526164783 /nfs/dbraw/zinc/16/47/83/526164783.db2.gz ZVCZXOQSIKIWAB-UHFFFAOYSA-N 0 3 321.421 1.162 20 10 DDCDHN CCCN(CC(=O)NC1CCOCC1)Cc1ccccc1O ZINC000102768856 696611568 /nfs/dbraw/zinc/61/15/68/696611568.db2.gz BIIXGMIYBQWTCO-UHFFFAOYSA-N 0 3 306.406 1.899 20 10 DDCDHN CN(C)c1ccc(CNC[C@@](C)(O)C(=O)OC(C)(C)C)cc1 ZINC000776521050 698112344 /nfs/dbraw/zinc/11/23/44/698112344.db2.gz UIXBRQDPDGNNBG-QGZVFWFLSA-N 0 3 308.422 1.935 20 10 DDCDHN O=S1(=O)CCCN1CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000779074063 698393808 /nfs/dbraw/zinc/39/38/08/698393808.db2.gz VEUQNJRVBOZHAX-UHFFFAOYSA-N 0 3 302.371 1.047 20 10 DDCDHN COCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CCOC1 ZINC000782974979 698793104 /nfs/dbraw/zinc/79/31/04/698793104.db2.gz AZCRAUOIGHQPAU-WFASDCNBSA-N 0 3 309.362 1.055 20 10 DDCDHN COCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H]1CCOC1 ZINC000782974979 698793105 /nfs/dbraw/zinc/79/31/05/698793105.db2.gz AZCRAUOIGHQPAU-WFASDCNBSA-N 0 3 309.362 1.055 20 10 DDCDHN C[C@H]1CN(C)C(=O)CN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000783731018 698871949 /nfs/dbraw/zinc/87/19/49/698871949.db2.gz XNVRFFXWFDFFNW-HNNXBMFYSA-N 0 3 316.449 1.101 20 10 DDCDHN COC(=O)N1CCC(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000796508752 699936816 /nfs/dbraw/zinc/93/68/16/699936816.db2.gz CNGDXDJXVCHTKJ-UHFFFAOYSA-N 0 3 322.361 1.689 20 10 DDCDHN C[C@@H]1OCC[C@@]1(C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000755169854 700554150 /nfs/dbraw/zinc/55/41/50/700554150.db2.gz OBQBDECYYSBEQV-SUMWQHHRSA-N 0 3 305.422 1.526 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCc2ccc(C(N)=O)nc2)c1 ZINC000756639665 700632894 /nfs/dbraw/zinc/63/28/94/700632894.db2.gz BWDGZQBIXSVAAS-JTQLQIEISA-N 0 3 301.346 1.746 20 10 DDCDHN COC[C@@](C)(CC(=O)OC)NCc1ccc(N(C)C)c(F)c1 ZINC000757922469 700676437 /nfs/dbraw/zinc/67/64/37/700676437.db2.gz BOVMATGKSMGSDU-MRXNPFEDSA-N 0 3 312.385 1.950 20 10 DDCDHN OC[C@H](CC(F)F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000758614018 700716240 /nfs/dbraw/zinc/71/62/40/700716240.db2.gz FZTKTOAKBLJHRK-LBPRGKRZSA-N 0 3 318.339 1.768 20 10 DDCDHN COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440880 701176880 /nfs/dbraw/zinc/17/68/80/701176880.db2.gz USKPSAWJWDGUKL-WFASDCNBSA-N 0 3 321.373 1.736 20 10 DDCDHN COC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440880 701176881 /nfs/dbraw/zinc/17/68/81/701176881.db2.gz USKPSAWJWDGUKL-WFASDCNBSA-N 0 3 321.373 1.736 20 10 DDCDHN COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768461832 701179344 /nfs/dbraw/zinc/17/93/44/701179344.db2.gz FZIHJQSAJBGQOH-BXUZGUMPSA-N 0 3 307.346 1.346 20 10 DDCDHN COC(=O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768461832 701179347 /nfs/dbraw/zinc/17/93/47/701179347.db2.gz FZIHJQSAJBGQOH-BXUZGUMPSA-N 0 3 307.346 1.346 20 10 DDCDHN Cc1cc(CN(CCO)CCN2CCOCC2)ccc1N(C)C ZINC000815057662 701789986 /nfs/dbraw/zinc/78/99/86/701789986.db2.gz WXRFWUMUFHOMJS-UHFFFAOYSA-N 0 3 321.465 1.188 20 10 DDCDHN CC1(C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@@H]2COC[C@@H]21 ZINC000840150808 701997902 /nfs/dbraw/zinc/99/79/02/701997902.db2.gz YQJZQIZFDYMOGU-GZBFAFLISA-N 0 3 305.374 1.675 20 10 DDCDHN CC1(C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@@H]2COC[C@@H]21 ZINC000840150808 701997905 /nfs/dbraw/zinc/99/79/05/701997905.db2.gz YQJZQIZFDYMOGU-GZBFAFLISA-N 0 3 305.374 1.675 20 10 DDCDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841006631 702307144 /nfs/dbraw/zinc/30/71/44/702307144.db2.gz GRKCUZQMJKEOGS-GFCCVEGCSA-N 0 3 304.394 1.198 20 10 DDCDHN C[C@H]1NCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1C ZINC000841831176 702575655 /nfs/dbraw/zinc/57/56/55/702575655.db2.gz CPXAWKUKTFMSPJ-CABCVRRESA-N 0 3 314.433 1.955 20 10 DDCDHN Nc1ccc(CCNC(=O)NC[C@H]2NCCc3ccccc32)cc1 ZINC000841955764 702635074 /nfs/dbraw/zinc/63/50/74/702635074.db2.gz MNHXQQNVYXCCQC-GOSISDBHSA-N 0 3 324.428 1.998 20 10 DDCDHN CO[C@@H]1COC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000842752853 702767265 /nfs/dbraw/zinc/76/72/65/702767265.db2.gz YNKZCMJOSIUPHO-GDBMZVCRSA-N 0 3 310.369 1.166 20 10 DDCDHN C[C@@H](N[C@@H]1COCC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000866497528 706714164 /nfs/dbraw/zinc/71/41/64/706714164.db2.gz IANCHKUKAOVVQZ-SRCQZFHVSA-N 0 3 324.396 1.463 20 10 DDCDHN CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652078 706749928 /nfs/dbraw/zinc/74/99/28/706749928.db2.gz VWFAPDILYQYYPH-RYUDHWBXSA-N 0 3 307.394 1.913 20 10 DDCDHN C[C@H]1CC[C@@H](NCc2cc3c(cc2O)OCO3)CS1(=O)=O ZINC000850368035 703727771 /nfs/dbraw/zinc/72/77/71/703727771.db2.gz HRIXLNMDMGKJQU-GXSJLCMTSA-N 0 3 313.375 1.176 20 10 DDCDHN CCS(=O)(=O)N(C)CCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876928366 705927838 /nfs/dbraw/zinc/92/78/38/705927838.db2.gz BBYZHDPJCWDCOW-UHFFFAOYSA-N 0 3 300.424 1.462 20 10 DDCDHN CN(C)C(=O)CN(CC[NH+](C)C)Cc1c([O-])cccc1Cl ZINC000827158048 705941940 /nfs/dbraw/zinc/94/19/40/705941940.db2.gz MPSULICEADFFMN-UHFFFAOYSA-N 0 3 313.829 1.497 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000827634214 706040745 /nfs/dbraw/zinc/04/07/45/706040745.db2.gz MBKJYQPSCMBNHC-CYBMUJFWSA-N 0 3 304.390 1.845 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000827634214 706040746 /nfs/dbraw/zinc/04/07/46/706040746.db2.gz MBKJYQPSCMBNHC-CYBMUJFWSA-N 0 3 304.390 1.845 20 10 DDCDHN CCNC(=O)C(C)(C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877579681 706148414 /nfs/dbraw/zinc/14/84/14/706148414.db2.gz XZAGZMXDRKJKGB-UHFFFAOYSA-N 0 3 319.449 1.652 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1[O-] ZINC000877720305 706188585 /nfs/dbraw/zinc/18/85/85/706188585.db2.gz PFOBRVBNHWJRIV-PHIMTYICSA-N 0 3 324.764 1.101 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1[O-] ZINC000877720305 706188586 /nfs/dbraw/zinc/18/85/86/706188586.db2.gz PFOBRVBNHWJRIV-PHIMTYICSA-N 0 3 324.764 1.101 20 10 DDCDHN C[C@@H](O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103046 708984387 /nfs/dbraw/zinc/98/43/87/708984387.db2.gz VPVBNSNRHCMHSV-CZUORRHYSA-N 0 3 322.453 1.425 20 10 DDCDHN CCON(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105181 708984964 /nfs/dbraw/zinc/98/49/64/708984964.db2.gz VBJGPVBIJNSJJP-HNNXBMFYSA-N 0 3 308.426 1.948 20 10 DDCDHN C[C@@H]1NC(=S)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000899225649 709026812 /nfs/dbraw/zinc/02/68/12/709026812.db2.gz XGEOORGZWOWYKR-SMDDNHRTSA-N 0 3 320.462 1.461 20 10 DDCDHN COc1cc(C)cc(CN[C@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000894969883 711344203 /nfs/dbraw/zinc/34/42/03/711344203.db2.gz RURUMAWGAJIVLN-KBPBESRZSA-N 0 3 304.390 1.952 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC000895345184 711490564 /nfs/dbraw/zinc/49/05/64/711490564.db2.gz YGAIINLXNOBXQO-CYBMUJFWSA-N 0 3 319.405 1.781 20 10 DDCDHN C[NH+](C)CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccnc1 ZINC000928835055 713488886 /nfs/dbraw/zinc/48/88/86/713488886.db2.gz VOEFGLBOLLTBAO-CQSZACIVSA-N 0 3 315.373 1.916 20 10 DDCDHN CS(=O)(=O)N1CC[C@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000922216638 713993969 /nfs/dbraw/zinc/99/39/69/713993969.db2.gz VNGYGWYUWZCJOI-AWEZNQCLSA-N 0 3 310.419 1.135 20 10 DDCDHN Cc1cc(CN[C@@H]2C(=O)NCC23CCOCC3)ccc1N(C)C ZINC000925433056 714855891 /nfs/dbraw/zinc/85/58/91/714855891.db2.gz BGTLJRRREIQVDA-MRXNPFEDSA-N 0 3 317.433 1.446 20 10 DDCDHN Cc1c2ccccc2n(C)c1CNC[C@]1(O)CCS(=O)(=O)C1 ZINC001202425955 748774997 /nfs/dbraw/zinc/77/49/97/748774997.db2.gz CXSHONCMBWJYDC-MRXNPFEDSA-N 0 3 322.430 1.126 20 10 DDCDHN CCCN1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](O)C1 ZINC001084104045 757285903 /nfs/dbraw/zinc/28/59/03/757285903.db2.gz HUUWXCRFYJQJPL-OLZOCXBDSA-N 0 3 319.365 1.034 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001148218785 773399744 /nfs/dbraw/zinc/39/97/44/773399744.db2.gz LFXAEAXYMXUDGW-GFCCVEGCSA-N 0 3 306.362 1.035 20 10 DDCDHN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(O)c([O-])c(O)c2)[C@@H](C)C1 ZINC001148590331 773542568 /nfs/dbraw/zinc/54/25/68/773542568.db2.gz HUUQDQSEPRAPEF-CMPLNLGQSA-N 0 3 308.378 1.652 20 10 DDCDHN CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(O)c([O-])c(O)c2)[C@@H](C)C1 ZINC001148590331 773542573 /nfs/dbraw/zinc/54/25/73/773542573.db2.gz HUUQDQSEPRAPEF-CMPLNLGQSA-N 0 3 308.378 1.652 20 10 DDCDHN CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC001116437015 780508823 /nfs/dbraw/zinc/50/88/23/780508823.db2.gz OAWNFYDHLFDCGB-BLLLJJGKSA-N 0 3 320.389 1.118 20 10 DDCDHN CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC001116437015 780508826 /nfs/dbraw/zinc/50/88/26/780508826.db2.gz OAWNFYDHLFDCGB-BLLLJJGKSA-N 0 3 320.389 1.118 20 10 DDCDHN CCN(CCNCCF)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268499136 840311027 /nfs/dbraw/zinc/31/10/27/840311027.db2.gz ALVDBNWLKKUFGU-UHFFFAOYSA-N 0 3 309.345 1.870 20 10 DDCDHN O=C1N(C2COC2)CC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001272618774 846417560 /nfs/dbraw/zinc/41/75/60/846417560.db2.gz OISMXQBFBBBADQ-QGZVFWFLSA-N 0 3 302.374 1.215 20 10 DDCDHN O=C1N(C2COC2)CC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001272618774 846417566 /nfs/dbraw/zinc/41/75/66/846417566.db2.gz OISMXQBFBBBADQ-QGZVFWFLSA-N 0 3 302.374 1.215 20 10 DDCDHN COC(=O)[C@H]1C[C@H](O)CN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001327107111 861891353 /nfs/dbraw/zinc/89/13/53/861891353.db2.gz KFJATDNQBSICSK-RDJZCZTQSA-N 0 3 318.417 1.643 20 10 DDCDHN COCCOCN1C[C@@H]2CC[N@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275267417 852940600 /nfs/dbraw/zinc/94/06/00/852940600.db2.gz NWAYOYRPGDXSPT-GOEBONIOSA-N 0 3 306.406 1.519 20 10 DDCDHN COCCOCN1C[C@@H]2CC[N@@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275267417 852940603 /nfs/dbraw/zinc/94/06/03/852940603.db2.gz NWAYOYRPGDXSPT-GOEBONIOSA-N 0 3 306.406 1.519 20 10 DDCDHN CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001275952736 854007507 /nfs/dbraw/zinc/00/75/07/854007507.db2.gz LONLGVWNMAYGHH-JSGCOSHPSA-N 0 3 319.405 1.722 20 10 DDCDHN CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001275952736 854007515 /nfs/dbraw/zinc/00/75/15/854007515.db2.gz LONLGVWNMAYGHH-JSGCOSHPSA-N 0 3 319.405 1.722 20 10 DDCDHN CCN1CCN(c2ccc(CN3CC(=O)N[C@H](C)C3)cc2)CC1 ZINC001140302625 860615396 /nfs/dbraw/zinc/61/53/96/860615396.db2.gz VYEBWQVPDLVMGC-OAHLLOKOSA-N 0 3 316.449 1.149 20 10 DDCDHN CCN1CCN(c2ccc(CN3CCO[C@H]4C[C@H]43)cc2)CC1 ZINC001140309303 860616709 /nfs/dbraw/zinc/61/67/09/860616709.db2.gz APOYIIHMOGMWJH-MSOLQXFVSA-N 0 3 301.434 1.802 20 10 DDCDHN Cc1ccc(CN2CCC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)c(O)c1 ZINC001140949584 860745057 /nfs/dbraw/zinc/74/50/57/860745057.db2.gz FBAFOMXJWSTQNM-HIFRSBDPSA-N 0 3 324.446 1.556 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@@]2(CCO)CCOC2)cc1F ZINC001328690584 863152568 /nfs/dbraw/zinc/15/25/68/863152568.db2.gz WKLOHAURYDSIGU-MRXNPFEDSA-N 0 3 314.376 1.910 20 10 DDCDHN COc1ccc(C[NH+]2CCC(NC(=O)N(C)C)CC2)c([O-])c1 ZINC001203634426 870687260 /nfs/dbraw/zinc/68/72/60/870687260.db2.gz FOYUIWPICAHZTP-UHFFFAOYSA-N 0 3 307.394 1.636 20 10 DDCDHN COc1cc(C)c(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC001206504637 872390587 /nfs/dbraw/zinc/39/05/87/872390587.db2.gz JBOMNSKKWSNUCF-LBPRGKRZSA-N 0 3 304.390 1.810 20 10 DDCDHN COc1cc(C(=O)N2CCC3(CN(C)C3)CC2)cc(O)c1O ZINC001276499907 872868916 /nfs/dbraw/zinc/86/89/16/872868916.db2.gz JTDICHGJMRTANM-UHFFFAOYSA-N 0 3 306.362 1.274 20 10 DDCDHN C[C@H](NC(=O)c1cc2n(n1)CCC[C@H]2N)c1ccccc1O ZINC001344460685 873012033 /nfs/dbraw/zinc/01/20/33/873012033.db2.gz FAEYRKJJBJHWEO-CMPLNLGQSA-N 0 3 300.362 1.873 20 10 DDCDHN C[C@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000400211753 876497134 /nfs/dbraw/zinc/49/71/34/876497134.db2.gz JVBKDVNVGBRVGV-GXTWGEPZSA-N 0 3 311.451 1.437 20 10 DDCDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)Nc3nnco3)C2)c([O-])c1 ZINC001277559767 885845348 /nfs/dbraw/zinc/84/53/48/885845348.db2.gz JFEPXZCTLUMRAV-MLGOLLRUSA-N 0 3 314.345 1.544 20 10 DDCDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)Nc3nnco3)C2)c([O-])c1 ZINC001277559767 885845366 /nfs/dbraw/zinc/84/53/66/885845366.db2.gz JFEPXZCTLUMRAV-MLGOLLRUSA-N 0 3 314.345 1.544 20 10 DDCDHN COC(=O)c1c(CN2C[C@H](O)[C@@H](C)C2)c2ccccc2n1C ZINC001232403394 886336670 /nfs/dbraw/zinc/33/66/70/886336670.db2.gz XIYQUHVTFBNOHO-NHYWBVRUSA-N 0 3 302.374 1.778 20 10 DDCDHN CN1CCOc2cc(CN3CCNC[C@@H]3C(F)(F)F)ccc21 ZINC001236976499 889457700 /nfs/dbraw/zinc/45/77/00/889457700.db2.gz ODGGQYFTUBZLNN-CQSZACIVSA-N 0 3 315.339 1.851 20 10 DDCDHN COC(=O)Cc1ccc(CN2CCOC[C@@H]2C2CC2)c(O)c1 ZINC001249214509 893871766 /nfs/dbraw/zinc/87/17/66/893871766.db2.gz MUGOJJITQFYLQS-OAHLLOKOSA-N 0 3 305.374 1.719 20 10 DDCDHN Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(O)cc2[O-])cc1 ZINC001253844769 896139202 /nfs/dbraw/zinc/13/92/02/896139202.db2.gz WSULHVMZQHFSPQ-HNNXBMFYSA-N 0 3 303.358 1.936 20 10 DDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000289233074 131367851 /nfs/dbraw/zinc/36/78/51/131367851.db2.gz DFIMXXBYRXTYLO-ZDUSSCGKSA-N 0 3 322.302 1.884 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)c([O-])c1C ZINC000273600678 408259244 /nfs/dbraw/zinc/25/92/44/408259244.db2.gz RWEAEBNPNYPPTE-OAHLLOKOSA-N 0 3 319.449 1.824 20 10 DDCDHN CSCC[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000165187951 408809072 /nfs/dbraw/zinc/80/90/72/408809072.db2.gz JJASIEIWTRZTAJ-OAHLLOKOSA-N 0 3 323.462 1.220 20 10 DDCDHN COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000278745575 409087683 /nfs/dbraw/zinc/08/76/83/409087683.db2.gz RQOSBRUCPWUEGM-GOEBONIOSA-N 0 3 309.406 1.546 20 10 DDCDHN COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000278745575 409087688 /nfs/dbraw/zinc/08/76/88/409087688.db2.gz RQOSBRUCPWUEGM-GOEBONIOSA-N 0 3 309.406 1.546 20 10 DDCDHN COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000279450574 409217978 /nfs/dbraw/zinc/21/79/78/409217978.db2.gz QAYOPPIEHIZIFX-CMPLNLGQSA-N 0 3 309.362 1.841 20 10 DDCDHN COCCN(CCN(C)C)Cc1cc(OC)c(OC)cc1O ZINC000289564075 409281338 /nfs/dbraw/zinc/28/13/38/409281338.db2.gz YZQDCJXSUPMOJF-UHFFFAOYSA-N 0 3 312.410 1.419 20 10 DDCDHN C[C@]1(C[C@H]2CCC[N@@H+]2Cc2ccccc2[O-])NC(=O)NC1=O ZINC000289719099 409284978 /nfs/dbraw/zinc/28/49/78/409284978.db2.gz PGERJSAZKJNPJI-MLGOLLRUSA-N 0 3 303.362 1.345 20 10 DDCDHN C[C@]1(C[C@H]2CCC[N@H+]2Cc2ccccc2[O-])NC(=O)NC1=O ZINC000289719099 409284981 /nfs/dbraw/zinc/28/49/81/409284981.db2.gz PGERJSAZKJNPJI-MLGOLLRUSA-N 0 3 303.362 1.345 20 10 DDCDHN COC(=O)CC[C@@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000289772964 409286749 /nfs/dbraw/zinc/28/67/49/409286749.db2.gz IPYDCGULOJJHLO-CQSZACIVSA-N 0 3 320.389 1.168 20 10 DDCDHN O=C1CO[C@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@H]2N1 ZINC000373769270 418459066 /nfs/dbraw/zinc/45/90/66/418459066.db2.gz URFCUMZDLDSXSL-WBVHZDCISA-N 0 3 312.369 1.635 20 10 DDCDHN O=C1CO[C@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C[C@H]2N1 ZINC000373769270 418459068 /nfs/dbraw/zinc/45/90/68/418459068.db2.gz URFCUMZDLDSXSL-WBVHZDCISA-N 0 3 312.369 1.635 20 10 DDCDHN COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1cc3c(cc1[O-])OCO3)C2 ZINC000374667565 418553512 /nfs/dbraw/zinc/55/35/12/418553512.db2.gz XVBIDLIYQJUKKA-PXAZEXFGSA-N 0 3 319.357 1.896 20 10 DDCDHN COC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1cc3c(cc1[O-])OCO3)C2 ZINC000374667565 418553516 /nfs/dbraw/zinc/55/35/16/418553516.db2.gz XVBIDLIYQJUKKA-PXAZEXFGSA-N 0 3 319.357 1.896 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 ZINC000363142176 418763040 /nfs/dbraw/zinc/76/30/40/418763040.db2.gz IIOFXXQBDNIWLE-INIZCTEOSA-N 0 3 306.406 1.744 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1 ZINC000363142177 418763211 /nfs/dbraw/zinc/76/32/11/418763211.db2.gz IIOFXXQBDNIWLE-MRXNPFEDSA-N 0 3 306.406 1.744 20 10 DDCDHN CCS(=O)(=O)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000295906397 276390404 /nfs/dbraw/zinc/39/04/04/276390404.db2.gz IZEIGSQWXJZZOK-AWEZNQCLSA-N 0 3 324.446 1.783 20 10 DDCDHN CC(C)[C@@H](CCO)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000162041423 519793001 /nfs/dbraw/zinc/79/30/01/519793001.db2.gz GNLJBNYAOUNKAC-MRXNPFEDSA-N 0 3 307.438 1.365 20 10 DDCDHN CN(C)c1ccc(CN2CCC(N3CCNC3=O)CC2)cc1 ZINC000127586414 522176184 /nfs/dbraw/zinc/17/61/84/522176184.db2.gz IAFYLIWXEIGKTL-UHFFFAOYSA-N 0 3 302.422 1.742 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CNC[C@@H]2CCCO2)cc1F ZINC000237082547 522190703 /nfs/dbraw/zinc/19/07/03/522190703.db2.gz BKNRAZMFDMRSBJ-ZDUSSCGKSA-N 0 3 309.385 1.277 20 10 DDCDHN COC[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1)OC ZINC000272642441 536628698 /nfs/dbraw/zinc/62/86/98/536628698.db2.gz CXQNUKQYOBHWKC-WMLDXEAASA-N 0 3 308.422 1.835 20 10 DDCDHN CCCN(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000063756174 696330709 /nfs/dbraw/zinc/33/07/09/696330709.db2.gz AREHGFIPMVIGJH-UHFFFAOYSA-N 0 3 323.412 1.620 20 10 DDCDHN CN(CCN1CCOC1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000108491927 696634043 /nfs/dbraw/zinc/63/40/43/696634043.db2.gz BARYCDFWCPEADY-UHFFFAOYSA-N 0 3 319.405 1.407 20 10 DDCDHN O[C@H](CNCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000219454203 697754396 /nfs/dbraw/zinc/75/43/96/697754396.db2.gz DBLPNQKBHVZLFU-CYBMUJFWSA-N 0 3 304.312 1.536 20 10 DDCDHN COc1c([O-])c(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000775029046 697956030 /nfs/dbraw/zinc/95/60/30/697956030.db2.gz JIHLFTDLPWOSGS-JQWIXIFHSA-N 0 3 309.366 1.881 20 10 DDCDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NC(=O)NC2CC2)c1 ZINC000775371815 697989808 /nfs/dbraw/zinc/98/98/08/697989808.db2.gz UPRGHIWZUARFAQ-NXEZZACHSA-N 0 3 321.377 1.428 20 10 DDCDHN CCOCCOCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000787237251 699198675 /nfs/dbraw/zinc/19/86/75/699198675.db2.gz RJOSUSPGSIOLHS-OAHLLOKOSA-N 0 3 311.378 1.303 20 10 DDCDHN CCOCCOCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000787237251 699198678 /nfs/dbraw/zinc/19/86/78/699198678.db2.gz RJOSUSPGSIOLHS-OAHLLOKOSA-N 0 3 311.378 1.303 20 10 DDCDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)C1(S(C)(=O)=O)CC1 ZINC000796492569 699935934 /nfs/dbraw/zinc/93/59/34/699935934.db2.gz VBJBWZUOJNSEFX-NSHDSACASA-N 0 3 314.426 1.947 20 10 DDCDHN CC1(C)OCC(NCc2ccc(N3CCOCC3)cc2)CO1 ZINC000758012020 700680723 /nfs/dbraw/zinc/68/07/23/700680723.db2.gz JEWBRIMFOPJJSE-UHFFFAOYSA-N 0 3 306.406 1.764 20 10 DDCDHN COC(=O)CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C(C)C ZINC000768449632 701177879 /nfs/dbraw/zinc/17/78/79/701177879.db2.gz XENBFEGMNFBPPW-CQSZACIVSA-N 0 3 309.362 1.592 20 10 DDCDHN COC(=O)CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C(C)C ZINC000768449632 701177881 /nfs/dbraw/zinc/17/78/81/701177881.db2.gz XENBFEGMNFBPPW-CQSZACIVSA-N 0 3 309.362 1.592 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN(CCO)CCN1CCOCC1 ZINC000840911685 702277849 /nfs/dbraw/zinc/27/78/49/702277849.db2.gz MSGQUMDPUPEMMP-UHFFFAOYSA-N 0 3 321.465 1.188 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000840941267 702287454 /nfs/dbraw/zinc/28/74/54/702287454.db2.gz VEVOOHVWNJSYTM-KRWDZBQOSA-N 0 3 316.405 1.235 20 10 DDCDHN O=S1(=O)C[C@@H](C[NH2+]Cc2ccccc2[O-])Oc2ccccc21 ZINC000842721505 702762578 /nfs/dbraw/zinc/76/25/78/702762578.db2.gz IXBGZGFHXJOPSV-CYBMUJFWSA-N 0 3 319.382 1.717 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)COC2(C)CNC2)cc1 ZINC000844172711 702983251 /nfs/dbraw/zinc/98/32/51/702983251.db2.gz HKXXCEPPCCDSBV-UHFFFAOYSA-N 0 3 305.422 1.528 20 10 DDCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000846036227 703229526 /nfs/dbraw/zinc/22/95/26/703229526.db2.gz YYTUVUNLZPLOIT-GFCCVEGCSA-N 0 3 318.826 1.478 20 10 DDCDHN CCN1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000879650008 706749721 /nfs/dbraw/zinc/74/97/21/706749721.db2.gz XIMLTFGERARKRF-KGLIPLIRSA-N 0 3 305.422 1.595 20 10 DDCDHN COc1cc(Br)cc(C[NH2+][C@H]2C[C@H](O)C2)c1[O-] ZINC000850417873 703730347 /nfs/dbraw/zinc/73/03/47/703730347.db2.gz PNGIVSYTVMHCGC-MGCOHNPYSA-N 0 3 302.168 1.776 20 10 DDCDHN CN(C)c1cc(F)c(CN[C@@H](CO)[C@@H]2CCCOC2)cc1F ZINC000858177393 704674102 /nfs/dbraw/zinc/67/41/02/704674102.db2.gz DCAGCYDXYWRHLQ-ABAIWWIYSA-N 0 3 314.376 1.908 20 10 DDCDHN CCN1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000824886648 705551213 /nfs/dbraw/zinc/55/12/13/705551213.db2.gz GWONYFSEKQUEMC-CQSZACIVSA-N 0 3 321.396 1.373 20 10 DDCDHN COc1cc(Cl)cc(CN2C[C@H](CO)[C@H](CO)C2)c1O ZINC000877765012 706202259 /nfs/dbraw/zinc/20/22/59/706202259.db2.gz RGTWVWAZFSZXJA-PHIMTYICSA-N 0 3 301.770 1.087 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1[O-] ZINC000877765012 706202260 /nfs/dbraw/zinc/20/22/60/706202260.db2.gz RGTWVWAZFSZXJA-PHIMTYICSA-N 0 3 301.770 1.087 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1[O-] ZINC000877765012 706202265 /nfs/dbraw/zinc/20/22/65/706202265.db2.gz RGTWVWAZFSZXJA-PHIMTYICSA-N 0 3 301.770 1.087 20 10 DDCDHN CCO[C@@H](CNC(=O)NCc1c([O-])cccc1F)C[NH+](C)C ZINC000926852485 712912767 /nfs/dbraw/zinc/91/27/67/712912767.db2.gz YJXDXPNXWXCXSX-NSHDSACASA-N 0 3 313.373 1.297 20 10 DDCDHN COc1ccc(CNCC2(C)OCCO2)cc1Cn1cccn1 ZINC000873099601 707731088 /nfs/dbraw/zinc/73/10/88/707731088.db2.gz OJAJZZUKHYPDHM-UHFFFAOYSA-N 0 3 317.389 1.793 20 10 DDCDHN CCC1(CC)CNC(=O)[C@@H]1NCc1cc(OC)c(OC)cc1O ZINC000897345295 708298854 /nfs/dbraw/zinc/29/88/54/708298854.db2.gz KZPOXZSVFHPZIW-HNNXBMFYSA-N 0 3 322.405 1.804 20 10 DDCDHN Cc1cccc(C[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1O ZINC000898156807 708559799 /nfs/dbraw/zinc/55/97/99/708559799.db2.gz ZEXWDUBXNMJSGT-CYBMUJFWSA-N 0 3 300.362 1.565 20 10 DDCDHN CCn1cc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000898447241 708642755 /nfs/dbraw/zinc/64/27/55/708642755.db2.gz HZQJHZHLVWNEJY-KRWDZBQOSA-N 0 3 316.453 1.757 20 10 DDCDHN C[C@@H](O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100531 708982930 /nfs/dbraw/zinc/98/29/30/708982930.db2.gz AEUAUVAUFVTPMZ-IUODEOHRSA-N 0 3 308.426 1.035 20 10 DDCDHN C[C@@H]1C(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C(=O)N1C ZINC000900184733 709319140 /nfs/dbraw/zinc/31/91/40/709319140.db2.gz FWUJXZHMKGMQQN-IUODEOHRSA-N 0 3 318.421 1.638 20 10 DDCDHN CN(C)c1ccc([C@H](CN2C(=O)NC(C)(C)C2=O)N(C)C)cc1 ZINC000900186358 709319963 /nfs/dbraw/zinc/31/99/63/709319963.db2.gz YQACANRNKLJYAQ-AWEZNQCLSA-N 0 3 318.421 1.686 20 10 DDCDHN Cc1nn[nH]c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248967 710141247 /nfs/dbraw/zinc/14/12/47/710141247.db2.gz OKSRYGUIGHPWIR-AWEZNQCLSA-N 0 3 316.409 1.212 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cn2cccn2)N(C)C)cc1 ZINC000891252128 710142565 /nfs/dbraw/zinc/14/25/65/710142565.db2.gz GOLCUIOLRWJCRA-MRXNPFEDSA-N 0 3 315.421 1.368 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCO2)N(C)C)cc1 ZINC000891254128 710143029 /nfs/dbraw/zinc/14/30/29/710143029.db2.gz VTRULTNODUYQSM-JKSUJKDBSA-N 0 3 305.422 1.651 20 10 DDCDHN COc1ccc(CN[C@@H]2CCCS(=O)(=O)C2)c(O)c1OC ZINC000893022098 710543151 /nfs/dbraw/zinc/54/31/51/710543151.db2.gz JWDFXCOGKPNDGX-LLVKDONJSA-N 0 3 315.391 1.076 20 10 DDCDHN COC(=O)c1c(CN[C@H]2CCOC2)c2cc(F)ccc2n1C ZINC000894353588 711082910 /nfs/dbraw/zinc/08/29/10/711082910.db2.gz CJXQJWICEDVKOG-NSHDSACASA-N 0 3 306.337 1.983 20 10 DDCDHN CC[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccccc1[O-] ZINC000925791107 714936508 /nfs/dbraw/zinc/93/65/08/714936508.db2.gz FFMVFAGUSPSJGA-JSGCOSHPSA-N 0 3 312.435 1.210 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)NC3=O)c([O-])c1 ZINC001181586257 743254778 /nfs/dbraw/zinc/25/47/78/743254778.db2.gz AUZXFVMEFVFUQQ-MLGOLLRUSA-N 0 3 303.362 1.169 20 10 DDCDHN COc1cc(CN2CCC[C@]3(CCNC3=O)C2)cc(O)c1O ZINC001204347634 743668024 /nfs/dbraw/zinc/66/80/24/743668024.db2.gz XAIHXJSLFYKZEF-INIZCTEOSA-N 0 3 306.362 1.209 20 10 DDCDHN CN1CCc2ncnc(N3CCCc4ccc(CN)nc43)c2C1 ZINC001169590448 762525338 /nfs/dbraw/zinc/52/53/38/762525338.db2.gz MWJRMLPFRGFYJU-UHFFFAOYSA-N 0 3 310.405 1.403 20 10 DDCDHN COC[C@H]1CN(Cc2c(O)cc(O)cc2O)Cc2cn(C)nc21 ZINC001144510056 772557305 /nfs/dbraw/zinc/55/73/05/772557305.db2.gz QKAVEFAHROTLSO-LLVKDONJSA-N 0 3 319.361 1.283 20 10 DDCDHN Cc1cc(F)cc(CN2CC[C@@]3(C2)CN(C)C(=O)CO3)c1O ZINC001274099383 851927556 /nfs/dbraw/zinc/92/75/56/851927556.db2.gz GBXMBCNDCIBUDH-INIZCTEOSA-N 0 3 308.353 1.273 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c([O-])c1 ZINC001274767263 852588915 /nfs/dbraw/zinc/58/89/15/852588915.db2.gz ZVVCZFIEFPCWIC-QGZVFWFLSA-N 0 3 320.389 1.224 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c([O-])c1 ZINC001274767263 852588919 /nfs/dbraw/zinc/58/89/19/852588919.db2.gz ZVVCZFIEFPCWIC-QGZVFWFLSA-N 0 3 320.389 1.224 20 10 DDCDHN Cc1ccc(O)c(CN2CC3(CN(CCn4ccnc4)C3)C2)c1 ZINC001275311889 852972557 /nfs/dbraw/zinc/97/25/57/852972557.db2.gz SLKUAURPXUYTKS-UHFFFAOYSA-N 0 3 312.417 1.715 20 10 DDCDHN Oc1ccc(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)cc1O ZINC001275821361 853817806 /nfs/dbraw/zinc/81/78/06/853817806.db2.gz OOKJBLRNWYERHD-IYBDPMFKSA-N 0 3 318.417 1.925 20 10 DDCDHN C[C@@]1(CO)CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1O ZINC001138495318 860119185 /nfs/dbraw/zinc/11/91/85/860119185.db2.gz HFQSOFXIUCTQQU-ROUUACIJSA-N 0 3 320.433 1.088 20 10 DDCDHN COC(=O)[C@H]1COCCC12CN(Cc1cc(C)ccc1O)C2 ZINC001140623630 860664830 /nfs/dbraw/zinc/66/48/30/860664830.db2.gz ZBMOHQSMZRVZFK-CQSZACIVSA-N 0 3 305.374 1.712 20 10 DDCDHN O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccccc1[O-])CCO2 ZINC001320417725 866721227 /nfs/dbraw/zinc/72/12/27/866721227.db2.gz SVXIYYGHMAKZLY-ZFWWWQNUSA-N 0 3 311.403 1.218 20 10 DDCDHN COc1ccc(N2CC[C@H](NC[C@@H](C)S(C)(=O)=O)C2)cc1 ZINC001335412737 868280192 /nfs/dbraw/zinc/28/01/92/868280192.db2.gz KDOFKBSHMFZHNN-OLZOCXBDSA-N 0 3 312.435 1.297 20 10 DDCDHN CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203552041 870636695 /nfs/dbraw/zinc/63/66/95/870636695.db2.gz YFAWGXRUZFJIRN-IJEWVQPXSA-N 0 3 304.390 1.365 20 10 DDCDHN CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203552041 870636699 /nfs/dbraw/zinc/63/66/99/870636699.db2.gz YFAWGXRUZFJIRN-IJEWVQPXSA-N 0 3 304.390 1.365 20 10 DDCDHN Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4ccccc4[O-])C[C@H]3O2)n1 ZINC001203552624 870637021 /nfs/dbraw/zinc/63/70/21/870637021.db2.gz PAJYFHNKJULTBN-SQWLQELKSA-N 0 3 315.373 1.916 20 10 DDCDHN Cc1noc(C[C@H]2C[C@H]3C[N@@H+](Cc4ccccc4[O-])C[C@H]3O2)n1 ZINC001203552624 870637029 /nfs/dbraw/zinc/63/70/29/870637029.db2.gz PAJYFHNKJULTBN-SQWLQELKSA-N 0 3 315.373 1.916 20 10 DDCDHN COc1ccc(Br)c(CN2C[C@@H](F)[C@@H](N)C2)c1O ZINC001204830218 871252052 /nfs/dbraw/zinc/25/20/52/871252052.db2.gz PLSRNGXTWSRERK-ZJUUUORDSA-N 0 3 319.174 1.644 20 10 DDCDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc(N(C)C)c(C)c1 ZINC001211362655 875773432 /nfs/dbraw/zinc/77/34/32/875773432.db2.gz OWBXSRXZLCJUFI-INIZCTEOSA-N 0 3 305.422 1.398 20 10 DDCDHN CCOc1ccc(N2CCN(C)C[C@]3(CCCC(=O)N3)C2)cc1 ZINC001276926333 881123724 /nfs/dbraw/zinc/12/37/24/881123724.db2.gz QZLIJQXURDASIE-GOSISDBHSA-N 0 3 317.433 1.876 20 10 DDCDHN O=C(N1CCCCO1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277445875 884332971 /nfs/dbraw/zinc/33/29/71/884332971.db2.gz KAQLCOOFYYLHGE-RHSMWYFYSA-N 0 3 302.374 1.768 20 10 DDCDHN O=C(N1CCCCO1)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277445875 884332987 /nfs/dbraw/zinc/33/29/87/884332987.db2.gz KAQLCOOFYYLHGE-RHSMWYFYSA-N 0 3 302.374 1.768 20 10 DDCDHN COc1cc(CN2C[C@H](CO)[C@@H](C(F)(F)F)C2)c(O)cc1O ZINC001231634386 885772335 /nfs/dbraw/zinc/77/23/35/885772335.db2.gz LPAOEMSJMVSXRE-ZJUUUORDSA-N 0 3 321.295 1.709 20 10 DDCDHN COc1cc(CN2CCC3(CCNC(=O)O3)CC2)c(O)cc1O ZINC001231639634 885779529 /nfs/dbraw/zinc/77/95/29/885779529.db2.gz YFMHZWRYDGWREN-UHFFFAOYSA-N 0 3 322.361 1.571 20 10 DDCDHN CCOC(=O)[C@H]1CCCN(Cc2cc(O)c(O)cc2O)[C@@H]1C ZINC001233485926 887017225 /nfs/dbraw/zinc/01/72/25/887017225.db2.gz QKWHTDDSTWWKOL-PWSUYJOCSA-N 0 3 309.362 1.967 20 10 DDCDHN Cc1cc([O-])c(C[N@H+](C)C[C@H](O)CO)cc1Br ZINC001237681315 889803063 /nfs/dbraw/zinc/80/30/63/889803063.db2.gz RHDKBBMDKNSBMZ-JTQLQIEISA-N 0 3 304.184 1.248 20 10 DDCDHN Cc1cc([O-])c(C[N@@H+](C)C[C@H](O)CO)cc1Br ZINC001237681315 889803072 /nfs/dbraw/zinc/80/30/72/889803072.db2.gz RHDKBBMDKNSBMZ-JTQLQIEISA-N 0 3 304.184 1.248 20 10 DDCDHN COC(=O)[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3cc2[O-])CN1 ZINC001246319928 892537583 /nfs/dbraw/zinc/53/75/83/892537583.db2.gz XFSHEVUHBKRSAY-GJZGRUSLSA-N 0 3 300.358 1.539 20 10 DDCDHN COc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2C[C@H]2C)cc1C ZINC001283791984 907965738 /nfs/dbraw/zinc/96/57/38/907965738.db2.gz IZYIGQQOXGQYLB-BYCMXARLSA-N 0 3 306.406 1.226 20 10 DDCDHN Cc1cc([O-])c(C[NH2+]C2CCN(c3nnnn3C)CC2)cc1C ZINC000363264899 223553679 /nfs/dbraw/zinc/55/36/79/223553679.db2.gz UDXBQSASTRQOCE-UHFFFAOYSA-N 0 3 316.409 1.291 20 10 DDCDHN CCCOc1ccc(C[NH2+][C@H]2COC[C@H]2n2ccnn2)c([O-])c1 ZINC000284963949 131126252 /nfs/dbraw/zinc/12/62/52/131126252.db2.gz XTTYDIORPVLSBA-LSDHHAIUSA-N 0 3 318.377 1.502 20 10 DDCDHN C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000271715217 407729187 /nfs/dbraw/zinc/72/91/87/407729187.db2.gz WNVYXHLQWNHHPW-WFASDCNBSA-N 0 3 314.389 1.972 20 10 DDCDHN O=C(C[C@H]1CNCCO1)NCc1ccc(N2CCCC2)cc1 ZINC000269264623 408240582 /nfs/dbraw/zinc/24/05/82/408240582.db2.gz YMJDRAFSGAJZRL-INIZCTEOSA-N 0 3 303.406 1.282 20 10 DDCDHN C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cc(F)ccc1[O-] ZINC000273604110 408263439 /nfs/dbraw/zinc/26/34/39/408263439.db2.gz SRUBREFITRECOW-PWSUYJOCSA-N 0 3 316.398 1.606 20 10 DDCDHN C[C@H](O)[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000183202026 408352133 /nfs/dbraw/zinc/35/21/33/408352133.db2.gz QLNGFOLYASSYBJ-GOEBONIOSA-N 0 3 319.449 1.414 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c1 ZINC000185317594 408793639 /nfs/dbraw/zinc/79/36/39/408793639.db2.gz IRVJSGALXYQYQG-PWSUYJOCSA-N 0 3 302.378 1.966 20 10 DDCDHN C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000276904183 408902594 /nfs/dbraw/zinc/90/25/94/408902594.db2.gz JNCXISHTAUQGDX-MNOVXSKESA-N 0 3 300.349 1.778 20 10 DDCDHN C[C@@H]1C[N@H+](CCCNC(=O)c2cccc(O)c2[O-])CCCO1 ZINC000277734059 409001366 /nfs/dbraw/zinc/00/13/66/409001366.db2.gz XSGHKRGFINXDLQ-GFCCVEGCSA-N 0 3 308.378 1.329 20 10 DDCDHN C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(O)c2[O-])CCCO1 ZINC000277734059 409001369 /nfs/dbraw/zinc/00/13/69/409001369.db2.gz XSGHKRGFINXDLQ-GFCCVEGCSA-N 0 3 308.378 1.329 20 10 DDCDHN O=C1CC[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C2(CCC2)N1 ZINC000282843726 409065786 /nfs/dbraw/zinc/06/57/86/409065786.db2.gz OXULPKDHPPFIAU-AWEZNQCLSA-N 0 3 304.346 1.412 20 10 DDCDHN CN1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)CC1 ZINC000377618267 418711629 /nfs/dbraw/zinc/71/16/29/418711629.db2.gz CAFKNEICUDLTSX-MRXNPFEDSA-N 0 3 303.450 1.852 20 10 DDCDHN CN1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)CC1 ZINC000377618267 418711632 /nfs/dbraw/zinc/71/16/32/418711632.db2.gz CAFKNEICUDLTSX-MRXNPFEDSA-N 0 3 303.450 1.852 20 10 DDCDHN COc1cncc(N2CCN(Cc3cccc(C)c3O)CC2)n1 ZINC000376482944 418697833 /nfs/dbraw/zinc/69/78/33/418697833.db2.gz FGOSXZBRZLVHEB-UHFFFAOYSA-N 0 3 314.389 1.821 20 10 DDCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1ccccc1[O-] ZINC000378513060 418724870 /nfs/dbraw/zinc/72/48/70/418724870.db2.gz ZLFFLVAGHUCHCA-YPMHNXCESA-N 0 3 300.362 1.582 20 10 DDCDHN C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccccc1[O-] ZINC000371681360 418807921 /nfs/dbraw/zinc/80/79/21/418807921.db2.gz QDLMDKCYNUDYBH-HOTGVXAUSA-N 0 3 319.449 1.449 20 10 DDCDHN COc1ccc(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)cn1 ZINC000527792547 421442277 /nfs/dbraw/zinc/44/22/77/421442277.db2.gz CDTFAJWCRLHHBQ-UHFFFAOYSA-N 0 3 302.330 1.857 20 10 DDCDHN CNC(=O)CN1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000176983116 332967064 /nfs/dbraw/zinc/96/70/64/332967064.db2.gz OHUOZKUIUVDYPS-LLVKDONJSA-N 0 3 309.385 1.392 20 10 DDCDHN CCOc1cccc(CN2CCC[C@]3(CNC(=O)O3)C2)c1O ZINC000364890004 521340417 /nfs/dbraw/zinc/34/04/17/521340417.db2.gz JIXWZJWGMQIATF-INIZCTEOSA-N 0 3 306.362 1.865 20 10 DDCDHN COc1ccc(CNCC(C)(C)NS(C)(=O)=O)cc1C ZINC000067005743 696358130 /nfs/dbraw/zinc/35/81/30/696358130.db2.gz WBBHNSPATVIAGR-UHFFFAOYSA-N 0 3 300.424 1.421 20 10 DDCDHN O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1ccccc1[O-] ZINC000749397813 700161770 /nfs/dbraw/zinc/16/17/70/700161770.db2.gz XYCXNKMVRBDKED-UHFFFAOYSA-N 0 3 320.414 1.601 20 10 DDCDHN COc1cc(C)cc(CN2CCN(CC(C)(C)O)C[C@H]2C)c1O ZINC000249132121 698387760 /nfs/dbraw/zinc/38/77/60/698387760.db2.gz SNOGFIBEHIXVQE-CQSZACIVSA-N 0 3 322.449 1.986 20 10 DDCDHN COCCO[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000780491024 698524384 /nfs/dbraw/zinc/52/43/84/698524384.db2.gz DMEQTJVHBKBAAO-DOMZBBRYSA-N 0 3 309.362 1.055 20 10 DDCDHN COCCO[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000780491024 698524387 /nfs/dbraw/zinc/52/43/87/698524387.db2.gz DMEQTJVHBKBAAO-DOMZBBRYSA-N 0 3 309.362 1.055 20 10 DDCDHN COCCO[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000800850202 700248483 /nfs/dbraw/zinc/24/84/83/700248483.db2.gz NHAKJMSUTFNLOZ-ZDUSSCGKSA-N 0 3 309.362 1.748 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H](N)CC1CC1 ZINC000323693969 698740971 /nfs/dbraw/zinc/74/09/71/698740971.db2.gz DMZGUWPIXBKRII-QGZVFWFLSA-N 0 3 317.433 1.609 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](C3OCCO3)C1)[C@@H](O)CO2 ZINC000768445319 701177350 /nfs/dbraw/zinc/17/73/50/701177350.db2.gz HIOKIMZEHXUDTG-ABAIWWIYSA-N 0 3 321.373 1.403 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](C3OCCO3)C1)[C@@H](O)CO2 ZINC000768445319 701177353 /nfs/dbraw/zinc/17/73/53/701177353.db2.gz HIOKIMZEHXUDTG-ABAIWWIYSA-N 0 3 321.373 1.403 20 10 DDCDHN COC(=O)CC(C)(C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000839523316 701724628 /nfs/dbraw/zinc/72/46/28/701724628.db2.gz LOLRQBODZHWJKV-UHFFFAOYSA-N 0 3 321.421 1.300 20 10 DDCDHN C[C@@H](NCC(=O)NC[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000839563869 701737372 /nfs/dbraw/zinc/73/73/72/701737372.db2.gz PLKZCSOBQPBTSD-CZUORRHYSA-N 0 3 305.422 1.698 20 10 DDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)Cn2ccnn2)c1[O-] ZINC000840804086 702244117 /nfs/dbraw/zinc/24/41/17/702244117.db2.gz ZORHJOVTONVIDP-ZYHUDNBSSA-N 0 3 310.785 1.657 20 10 DDCDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000841759754 702558193 /nfs/dbraw/zinc/55/81/93/702558193.db2.gz PODWVJQWXQAHTD-UONOGXRCSA-N 0 3 316.449 1.961 20 10 DDCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1[O-] ZINC000866419976 706694170 /nfs/dbraw/zinc/69/41/70/706694170.db2.gz KVDILGQICQKSBN-AXTRIDKLSA-N 0 3 316.195 1.873 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000843385044 702870935 /nfs/dbraw/zinc/87/09/35/702870935.db2.gz RGCQAOSGOWLRJX-OAHLLOKOSA-N 0 3 321.396 1.213 20 10 DDCDHN CNS(=O)(=O)CCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000866457504 706703327 /nfs/dbraw/zinc/70/33/27/706703327.db2.gz PBHSCDYKEHODKZ-KOLCDFICSA-N 0 3 316.398 1.609 20 10 DDCDHN CCN(CC)c1ccc(CN2C[C@H](O)C[C@@H](C(=O)OC)C2)cc1 ZINC000843434291 702881528 /nfs/dbraw/zinc/88/15/28/702881528.db2.gz JONMLMOJSNHXGU-NVXWUHKLSA-N 0 3 320.433 1.889 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)c([O-])c1 ZINC000866520559 706720036 /nfs/dbraw/zinc/72/00/36/706720036.db2.gz GVBGJZUFSQAJNZ-WBMJQRKESA-N 0 3 306.362 1.572 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850347933 703725985 /nfs/dbraw/zinc/72/59/85/703725985.db2.gz AWJRDHDCRABCBL-HXUWFJFHSA-N 0 3 311.325 1.801 20 10 DDCDHN CN(C)c1cc(F)c(CNCCN2CCC(O)CC2)cc1F ZINC000858173762 704673630 /nfs/dbraw/zinc/67/36/30/704673630.db2.gz GXFHDPHOQDAJQL-UHFFFAOYSA-N 0 3 313.392 1.577 20 10 DDCDHN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1[O-] ZINC000858498760 704718510 /nfs/dbraw/zinc/71/85/10/704718510.db2.gz UURJBZVDAVHSQD-MRVWCRGKSA-N 0 3 312.435 1.903 20 10 DDCDHN CCN1CCN(c2ccc(CNCc3c[nH]cn3)cc2F)CC1 ZINC000894233044 711026993 /nfs/dbraw/zinc/02/69/93/711026993.db2.gz BOCVTCGNCIZOFN-UHFFFAOYSA-N 0 3 317.412 1.981 20 10 DDCDHN O=C1NCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000826773532 705869526 /nfs/dbraw/zinc/86/95/26/705869526.db2.gz AIMMLAHLWMBQQU-INIZCTEOSA-N 0 3 312.369 1.949 20 10 DDCDHN CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876931394 705929325 /nfs/dbraw/zinc/92/93/25/705929325.db2.gz NNDYEKKUSHTIPY-LBPRGKRZSA-N 0 3 313.392 1.786 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN(CCN(C)C)CC(=O)N(C)C ZINC000827158307 705942143 /nfs/dbraw/zinc/94/21/43/705942143.db2.gz OOFMAPFYFFIEAZ-UHFFFAOYSA-N 0 3 320.481 1.513 20 10 DDCDHN O[C@]12C[C@H]1CN(Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000827291926 705970130 /nfs/dbraw/zinc/97/01/30/705970130.db2.gz NLINDNWFZUCMRO-WMLDXEAASA-N 0 3 306.381 1.619 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000827634216 706040537 /nfs/dbraw/zinc/04/05/37/706040537.db2.gz MBKJYQPSCMBNHC-ZDUSSCGKSA-N 0 3 304.390 1.845 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000827634216 706040540 /nfs/dbraw/zinc/04/05/40/706040540.db2.gz MBKJYQPSCMBNHC-ZDUSSCGKSA-N 0 3 304.390 1.845 20 10 DDCDHN CCOC(=O)[C@H]1C[N@H+](Cc2c(C)cccc2[O-])CC12COC2 ZINC000877557054 706141841 /nfs/dbraw/zinc/14/18/41/706141841.db2.gz FCLRKKSQUHHAOY-CQSZACIVSA-N 0 3 305.374 1.712 20 10 DDCDHN CCOC(=O)[C@H]1C[N@@H+](Cc2c(C)cccc2[O-])CC12COC2 ZINC000877557054 706141843 /nfs/dbraw/zinc/14/18/43/706141843.db2.gz FCLRKKSQUHHAOY-CQSZACIVSA-N 0 3 305.374 1.712 20 10 DDCDHN CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C(=O)NC ZINC000877575690 706147194 /nfs/dbraw/zinc/14/71/94/706147194.db2.gz BNOMBQIMLHNCSJ-INIZCTEOSA-N 0 3 305.422 1.262 20 10 DDCDHN CCCOc1ccc(CNCCNS(=O)(=O)CC)cc1C ZINC000873027639 707699648 /nfs/dbraw/zinc/69/96/48/707699648.db2.gz XKTAWOGMTXFKLW-UHFFFAOYSA-N 0 3 314.451 1.813 20 10 DDCDHN CCOc1ccc(CNC2(C(=O)NCCOC)CC2)c(O)c1 ZINC000839193963 708035012 /nfs/dbraw/zinc/03/50/12/708035012.db2.gz YNDNFAQFOGLCKU-UHFFFAOYSA-N 0 3 308.378 1.176 20 10 DDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)cc1 ZINC000911665238 710915467 /nfs/dbraw/zinc/91/54/67/710915467.db2.gz BMVVGPIEEPFLKV-RRCSTGOVSA-N 0 3 301.390 1.094 20 10 DDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3c[nH]cn3)cc2)C1 ZINC000894384514 711097683 /nfs/dbraw/zinc/09/76/83/711097683.db2.gz HKVMMFJYAKBOEO-CQSZACIVSA-N 0 3 313.405 1.401 20 10 DDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cnc[nH]3)cc2)C1 ZINC000894384514 711097685 /nfs/dbraw/zinc/09/76/85/711097685.db2.gz HKVMMFJYAKBOEO-CQSZACIVSA-N 0 3 313.405 1.401 20 10 DDCDHN CO[C@@]1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCS(=O)(=O)C1 ZINC000903365083 711105472 /nfs/dbraw/zinc/10/54/72/711105472.db2.gz HRZROMWPARVTKC-IINYFYTJSA-N 0 3 317.382 1.386 20 10 DDCDHN C[C@@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CN2CCC1CC2 ZINC000912375354 711299746 /nfs/dbraw/zinc/29/97/46/711299746.db2.gz FWBXCFGMDFDLLZ-MAVJXHJTSA-N 0 3 302.374 1.712 20 10 DDCDHN COc1ccc(CN[C@H]2CCN(C(C)(C)C)C2=O)c(O)c1OC ZINC000895085310 711402408 /nfs/dbraw/zinc/40/24/08/711402408.db2.gz HSTJHBWNUKOUOS-LBPRGKRZSA-N 0 3 322.405 1.898 20 10 DDCDHN COc1ccc(CN2CCC[C@](CO)(OC)C2)c(O)c1OC ZINC000895338607 711488566 /nfs/dbraw/zinc/48/85/66/711488566.db2.gz SVPYJIDUYSGFLY-INIZCTEOSA-N 0 3 311.378 1.383 20 10 DDCDHN COCCN(C)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896096831 711675353 /nfs/dbraw/zinc/67/53/53/711675353.db2.gz IJIHUGMFYCIOFT-UHFFFAOYSA-N 0 3 324.402 1.621 20 10 DDCDHN Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2ccccc2[O-])CCC(=O)N1C ZINC000922405033 714044179 /nfs/dbraw/zinc/04/41/79/714044179.db2.gz RZUNLEVRCFHMTH-GUYCJALGSA-N 0 3 314.389 1.577 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000922596726 714097090 /nfs/dbraw/zinc/09/70/90/714097090.db2.gz CGFWOIXGVUZLMG-UHFFFAOYSA-N 0 3 307.390 1.812 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@H]2C[C@@H]3COC[C@@H]3O2)cc1F ZINC000922724211 714128265 /nfs/dbraw/zinc/12/82/65/714128265.db2.gz CAMGGRHMPLCKAE-HSMVNMDESA-N 0 3 312.360 1.924 20 10 DDCDHN COCCNC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001186566380 744414930 /nfs/dbraw/zinc/41/49/30/744414930.db2.gz QGMQMMHMDNNZLB-UHFFFAOYSA-N 0 3 307.394 1.302 20 10 DDCDHN COc1cc([O-])c(CN2C[C@@H]3C[C@]3([NH3+])C2)c(Br)c1 ZINC001236028569 846524049 /nfs/dbraw/zinc/52/40/49/846524049.db2.gz QHIFTIAUNCKTSM-SDBXPKJASA-N 0 3 313.195 1.696 20 10 DDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)cc1Cl ZINC001274216295 852043038 /nfs/dbraw/zinc/04/30/38/852043038.db2.gz AMEZEELNHUTYFY-INIZCTEOSA-N 0 3 324.808 1.787 20 10 DDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)cc1Cl ZINC001274216295 852043053 /nfs/dbraw/zinc/04/30/53/852043053.db2.gz AMEZEELNHUTYFY-INIZCTEOSA-N 0 3 324.808 1.787 20 10 DDCDHN Oc1ccc(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)c(O)c1 ZINC001275952749 854007389 /nfs/dbraw/zinc/00/73/89/854007389.db2.gz LXTAGUFVVFXGOF-CALCHBBNSA-N 0 3 318.417 1.925 20 10 DDCDHN C[C@]1(CO)CCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660347 860669304 /nfs/dbraw/zinc/66/93/04/860669304.db2.gz OVHGZXBEOUJTCY-KRWDZBQOSA-N 0 3 308.397 1.867 20 10 DDCDHN OC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140662016 860669331 /nfs/dbraw/zinc/66/93/31/860669331.db2.gz AZLBUGKCLGNMTM-CQSZACIVSA-N 0 3 308.397 1.867 20 10 DDCDHN Cc1c(O)ccc(CN2CC3CC2(C(=O)N2CCCC2)C3)c1O ZINC001140748514 860691794 /nfs/dbraw/zinc/69/17/94/860691794.db2.gz MGFIRRCEITYWFF-UHFFFAOYSA-N 0 3 316.401 1.993 20 10 DDCDHN COCC[C@@H](N)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC001333177109 866487605 /nfs/dbraw/zinc/48/76/05/866487605.db2.gz CBOXHHUCFJMNIN-MRXNPFEDSA-N 0 3 321.421 1.144 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2cc[nH]n2)N(C)C)cc1 ZINC001334842201 867857996 /nfs/dbraw/zinc/85/79/96/867857996.db2.gz AFXLXBDZYAOVLB-INIZCTEOSA-N 0 3 315.421 1.437 20 10 DDCDHN CCOc1cccc(CN2CCCO[C@H](C(=O)OC)C2)c1O ZINC001203614876 870672400 /nfs/dbraw/zinc/67/24/00/870672400.db2.gz FWFBKCIYJXYWSX-AWEZNQCLSA-N 0 3 309.362 1.555 20 10 DDCDHN COc1ccc(C[NH+]2CCC3(CC2)CC(=O)NC(=O)C3)c([O-])c1 ZINC001203629335 870681716 /nfs/dbraw/zinc/68/17/16/870681716.db2.gz WUNKJYHESROEAA-UHFFFAOYSA-N 0 3 318.373 1.420 20 10 DDCDHN Oc1ccc(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c(O)c1 ZINC001204273563 871030554 /nfs/dbraw/zinc/03/05/54/871030554.db2.gz DHJNUOKDPAMIGF-IYBDPMFKSA-N 0 3 304.390 1.393 20 10 DDCDHN [O-]c1cc(O)ccc1C[NH+]1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001204274111 871031974 /nfs/dbraw/zinc/03/19/74/871031974.db2.gz IVENCVIECUKHKL-KBPBESRZSA-N 0 3 312.373 1.456 20 10 DDCDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc(N(CC)CC)cc1 ZINC001211353700 875763006 /nfs/dbraw/zinc/76/30/06/875763006.db2.gz ICFKTNQDXMDFLU-QGZVFWFLSA-N 0 3 319.449 1.870 20 10 DDCDHN [O-]c1c(O)cccc1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001215145702 876584678 /nfs/dbraw/zinc/58/46/78/876584678.db2.gz CXHSOJBDRKOJOW-UHFFFAOYSA-N 0 3 310.313 1.856 20 10 DDCDHN CCc1ccc(CN2CC3(CN(Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001276804834 878197036 /nfs/dbraw/zinc/19/70/36/878197036.db2.gz LPTWKPAKSISXFI-UHFFFAOYSA-N 0 3 312.417 1.996 20 10 DDCDHN CCN(CC)c1ccc(CN2CC[C@@H]3C[C@@]32C(N)=O)c(O)c1 ZINC001277533401 885731824 /nfs/dbraw/zinc/73/18/24/885731824.db2.gz HZAMYODPWHEFTJ-DYVFJYSZSA-N 0 3 303.406 1.688 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CCC2(COC(=O)N2)CC1 ZINC001231855685 885910280 /nfs/dbraw/zinc/91/02/80/885910280.db2.gz ZCJIYPZJNYXJFS-UHFFFAOYSA-N 0 3 319.405 1.836 20 10 DDCDHN CCN1CC[C@@]2(CN(Cc3cc(O)c(O)c(O)c3)C[C@@H]2C)C1=O ZINC001233012286 886725478 /nfs/dbraw/zinc/72/54/78/886725478.db2.gz OFPIXYZGOZWJCD-GTNSWQLSSA-N 0 3 320.389 1.494 20 10 DDCDHN COc1cc(CN2CCC(NC(C)=O)CC2)c(O)c(OC)c1 ZINC001237674588 889797004 /nfs/dbraw/zinc/79/70/04/889797004.db2.gz JIMPVGHQCSOVOR-UHFFFAOYSA-N 0 3 308.378 1.510 20 10 DDCDHN COc1cc(CN2CC3(C2)CCN(C)C3=O)c(O)c(OC)c1 ZINC001237678152 889799128 /nfs/dbraw/zinc/79/91/28/889799128.db2.gz VHKCXTGKRQPEML-UHFFFAOYSA-N 0 3 306.362 1.074 20 10 DDCDHN CCOC(=O)[C@H]1[C@@H]2CN(Cc3cc(OC)cc(OC)c3O)C[C@@H]21 ZINC001237680259 889802294 /nfs/dbraw/zinc/80/22/94/889802294.db2.gz IOYJLTYVQLWAAP-NHAGDIPZSA-N 0 3 321.373 1.650 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H](CO)CC[C@@H]2C)c([O-])c1 ZINC001249171774 893848206 /nfs/dbraw/zinc/84/82/06/893848206.db2.gz FOASKBMUDISAJX-GXTWGEPZSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H](CO)CC[C@@H]2C)c([O-])c1 ZINC001249171774 893848223 /nfs/dbraw/zinc/84/82/23/893848223.db2.gz FOASKBMUDISAJX-GXTWGEPZSA-N 0 3 307.390 1.701 20 10 DDCDHN Oc1ccc(CNC[C@@H](O)COc2cccc(F)c2)cc1O ZINC001250827432 894445494 /nfs/dbraw/zinc/44/54/94/894445494.db2.gz QXYLRHUFNOKQTB-CYBMUJFWSA-N 0 3 307.321 1.766 20 10 DDCDHN C[C@@H](CO)[C@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000273949638 130190310 /nfs/dbraw/zinc/19/03/10/130190310.db2.gz FHWPXLFPKDQAJI-KBPBESRZSA-N 0 3 307.438 1.318 20 10 DDCDHN COC(=O)c1cn(CC[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])nn1 ZINC000284394467 131077405 /nfs/dbraw/zinc/07/74/05/131077405.db2.gz PJCRFLADBYEXJY-LBPRGKRZSA-N 0 3 318.377 1.738 20 10 DDCDHN C[C@@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000284735875 131107588 /nfs/dbraw/zinc/10/75/88/131107588.db2.gz ZOAVQHPOBOVYGH-IJLUTSLNSA-N 0 3 309.385 1.403 20 10 DDCDHN C[C@@H](CN(C)C)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000287152946 131266471 /nfs/dbraw/zinc/26/64/71/131266471.db2.gz LZMPSLNRLJFXGE-AWEZNQCLSA-N 0 3 320.437 1.273 20 10 DDCDHN COCCCn1nccc1CNCc1cccc(OC)c1O ZINC000289511795 131392683 /nfs/dbraw/zinc/39/26/83/131392683.db2.gz URBRTEIQAVCKAJ-UHFFFAOYSA-N 0 3 305.378 1.924 20 10 DDCDHN Cc1ccc(O)c(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000289584066 131398296 /nfs/dbraw/zinc/39/82/96/131398296.db2.gz UCGQFHZWRWYFBJ-CQSZACIVSA-N 0 3 312.435 1.556 20 10 DDCDHN CC[C@@H](N[C@H](C)c1cc(OC)ccc1O)C(=O)N1CCOCC1 ZINC000185665032 407473321 /nfs/dbraw/zinc/47/33/21/407473321.db2.gz XSWIHHYRRDHTBQ-IUODEOHRSA-N 0 3 322.405 1.689 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CCOCCS(C)(=O)=O)c([O-])c1 ZINC000186077932 407572488 /nfs/dbraw/zinc/57/24/88/407572488.db2.gz TUBGYMRQEBFWSM-LBPRGKRZSA-N 0 3 301.408 1.412 20 10 DDCDHN COCCOCCN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000153986034 407945304 /nfs/dbraw/zinc/94/53/04/407945304.db2.gz KUQOGKSMDSUENR-HNNXBMFYSA-N 0 3 308.422 1.837 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCC(F)(F)F)c1 ZINC000182385428 408140958 /nfs/dbraw/zinc/14/09/58/408140958.db2.gz XFEOCWNRWNNZRO-QMMMGPOBSA-N 0 3 306.284 1.730 20 10 DDCDHN CCOc1cccc(CN2CC[C@H](N3CCCC3=O)C2)c1O ZINC000276848510 408901744 /nfs/dbraw/zinc/90/17/44/408901744.db2.gz UKWRHLLQWOQMON-AWEZNQCLSA-N 0 3 304.390 1.988 20 10 DDCDHN CC[C@H]([NH2+]CCNS(=O)(=O)NC(C)C)c1ccccc1[O-] ZINC000277006330 408903668 /nfs/dbraw/zinc/90/36/68/408903668.db2.gz BFVPHJYLMZVXGV-ZDUSSCGKSA-N 0 3 315.439 1.265 20 10 DDCDHN COc1cccc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1[O-] ZINC000278304543 409079223 /nfs/dbraw/zinc/07/92/23/409079223.db2.gz DHLVGTHQADSQHS-AWEZNQCLSA-N 0 3 316.405 1.893 20 10 DDCDHN Cc1cc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)ccc1N(C)C ZINC000293950936 409212639 /nfs/dbraw/zinc/21/26/39/409212639.db2.gz BSVWPECVYULREG-KRWDZBQOSA-N 0 3 316.405 1.235 20 10 DDCDHN CNC(=O)CCNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000279942628 409253539 /nfs/dbraw/zinc/25/35/39/409253539.db2.gz NWKUMTIEMWVYHX-UHFFFAOYSA-N 0 3 303.328 1.997 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000295100535 409321065 /nfs/dbraw/zinc/32/10/65/409321065.db2.gz KKCAZMBIWPXUMW-UONOGXRCSA-N 0 3 308.422 1.898 20 10 DDCDHN CN(C)c1ccc(CN(CCN2CCNC2=O)C2CC2)cc1 ZINC000290435726 409401205 /nfs/dbraw/zinc/40/12/05/409401205.db2.gz VGZWMURCKDRCSY-UHFFFAOYSA-N 0 3 302.422 1.742 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+][C@H](CC)CNS(C)(=O)=O)c1 ZINC000295138098 409338676 /nfs/dbraw/zinc/33/86/76/409338676.db2.gz ZCQPMFNEQHOTMN-GFCCVEGCSA-N 0 3 316.423 1.208 20 10 DDCDHN CCOc1ccc(O)c(CN[C@H](CC)CNS(C)(=O)=O)c1 ZINC000295138098 409338682 /nfs/dbraw/zinc/33/86/82/409338682.db2.gz ZCQPMFNEQHOTMN-GFCCVEGCSA-N 0 3 316.423 1.208 20 10 DDCDHN C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000368214930 418705241 /nfs/dbraw/zinc/70/52/41/418705241.db2.gz HWHKYTPIWMDNGS-TZMCWYRMSA-N 0 3 320.389 1.416 20 10 DDCDHN C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000368214930 418705245 /nfs/dbraw/zinc/70/52/45/418705245.db2.gz HWHKYTPIWMDNGS-TZMCWYRMSA-N 0 3 320.389 1.416 20 10 DDCDHN COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(C)ccc3[O-])C2)nn1 ZINC000363917518 418771784 /nfs/dbraw/zinc/77/17/84/418771784.db2.gz FSMLFXGMRKRVLL-ZDUSSCGKSA-N 0 3 316.361 1.526 20 10 DDCDHN COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(C)ccc3[O-])C2)nn1 ZINC000363917518 418771785 /nfs/dbraw/zinc/77/17/85/418771785.db2.gz FSMLFXGMRKRVLL-ZDUSSCGKSA-N 0 3 316.361 1.526 20 10 DDCDHN COc1cccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000371326176 418779584 /nfs/dbraw/zinc/77/95/84/418779584.db2.gz HYRVYFWQGRPMKS-HUUCEWRRSA-N 0 3 306.406 1.432 20 10 DDCDHN COc1cc(O)c(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1OC ZINC000368959087 418726594 /nfs/dbraw/zinc/72/65/94/418726594.db2.gz RFZKJSVNEAULNK-KNHMANMVSA-N 0 3 320.389 1.495 20 10 DDCDHN [O-]c1ccccc1C[NH2+]C[C@]1(N2CCOCC2)CCCOC1 ZINC000372006718 418830528 /nfs/dbraw/zinc/83/05/28/418830528.db2.gz NMFDJHDKWJFZLP-QGZVFWFLSA-N 0 3 306.406 1.363 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCCN2CCCS2(=O)=O)c1 ZINC000271802634 341624828 /nfs/dbraw/zinc/62/48/28/341624828.db2.gz KMNVKOWJTSCXMW-NSHDSACASA-N 0 3 314.407 1.087 20 10 DDCDHN COc1cc([O-])c(C[NH2+]C[C@@](C)(O)c2ccco2)cc1OC ZINC000182502940 522782009 /nfs/dbraw/zinc/78/20/09/522782009.db2.gz JKVDKEGFQVLFHL-MRXNPFEDSA-N 0 3 307.346 2.000 20 10 DDCDHN COCCC[N@H+](CCO)Cc1cc(Cl)cc(OC)c1[O-] ZINC000188927008 523247155 /nfs/dbraw/zinc/24/71/55/523247155.db2.gz CFPKACWJHDMSQG-UHFFFAOYSA-N 0 3 303.786 1.885 20 10 DDCDHN COCCC[N@@H+](CCO)Cc1cc(Cl)cc(OC)c1[O-] ZINC000188927008 523247165 /nfs/dbraw/zinc/24/71/65/523247165.db2.gz CFPKACWJHDMSQG-UHFFFAOYSA-N 0 3 303.786 1.885 20 10 DDCDHN COC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)CC12CCC2 ZINC000365198909 523750476 /nfs/dbraw/zinc/75/04/76/523750476.db2.gz MUBOLKABWQLYIK-LBPRGKRZSA-N 0 3 319.357 1.896 20 10 DDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)CC12CCC2 ZINC000365198909 523750482 /nfs/dbraw/zinc/75/04/82/523750482.db2.gz MUBOLKABWQLYIK-LBPRGKRZSA-N 0 3 319.357 1.896 20 10 DDCDHN CN1CCN(C(=O)CC[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000297495397 536403818 /nfs/dbraw/zinc/40/38/18/536403818.db2.gz BPESCMOKVYAIIN-AWEZNQCLSA-N 0 3 303.406 1.133 20 10 DDCDHN COc1ccc(O)c(CN2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000775686935 698022765 /nfs/dbraw/zinc/02/27/65/698022765.db2.gz PXFZIIJEWMVYIJ-AWEZNQCLSA-N 0 3 304.390 1.988 20 10 DDCDHN COC(=O)C(C)(C)N1CCN(Cc2cccc(C)c2O)CC1 ZINC000779190916 698400638 /nfs/dbraw/zinc/40/06/38/698400638.db2.gz NHZIGOPMERYQSA-UHFFFAOYSA-N 0 3 306.406 1.770 20 10 DDCDHN COCCN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000787334903 699206960 /nfs/dbraw/zinc/20/69/60/699206960.db2.gz NCUPDLRCBDKSSN-GOSISDBHSA-N 0 3 320.433 1.761 20 10 DDCDHN CCN(CC)c1ccc(CN(C)CCCS(N)(=O)=O)cc1 ZINC000738300072 699756633 /nfs/dbraw/zinc/75/66/33/699756633.db2.gz UIRQIYQVSSBHDC-UHFFFAOYSA-N 0 3 313.467 1.643 20 10 DDCDHN CC(C)(O)CN1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000742150990 699861933 /nfs/dbraw/zinc/86/19/33/699861933.db2.gz MXYJCEGPGZYZGP-UHFFFAOYSA-N 0 3 304.434 1.769 20 10 DDCDHN CN1CCCN(C(=O)NCCCSc2nccs2)CC1 ZINC000759589382 700761174 /nfs/dbraw/zinc/76/11/74/700761174.db2.gz IQKKAQZBBCDGHU-UHFFFAOYSA-N 0 3 314.480 1.972 20 10 DDCDHN COc1cc(CN2CC[C@H](NC(=O)NC3CC3)C2)c(O)cc1C ZINC000760551824 700813682 /nfs/dbraw/zinc/81/36/82/700813682.db2.gz QAMLARLNDXBVLI-AWEZNQCLSA-N 0 3 319.405 1.745 20 10 DDCDHN C[C@H](N[C@H]1CC(=O)N(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765596795 701020740 /nfs/dbraw/zinc/02/07/40/701020740.db2.gz YGGRARVFSFVGGK-JSGCOSHPSA-N 0 3 321.396 1.544 20 10 DDCDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768438522 701177084 /nfs/dbraw/zinc/17/70/84/701177084.db2.gz SYSGOFRZDXMODA-IAQYHMDHSA-N 0 3 321.373 1.593 20 10 DDCDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768438522 701177086 /nfs/dbraw/zinc/17/70/86/701177086.db2.gz SYSGOFRZDXMODA-IAQYHMDHSA-N 0 3 321.373 1.593 20 10 DDCDHN COC(=O)CCN(Cc1c(O)cccc1OC)C[C@@H]1CCCO1 ZINC000769447221 701245044 /nfs/dbraw/zinc/24/50/44/701245044.db2.gz VXJYXUKGSOTQMZ-ZDUSSCGKSA-N 0 3 323.389 1.945 20 10 DDCDHN COC(=O)CC[N@@H+](Cc1c([O-])cccc1OC)C[C@@H]1CCCO1 ZINC000769447221 701245045 /nfs/dbraw/zinc/24/50/45/701245045.db2.gz VXJYXUKGSOTQMZ-ZDUSSCGKSA-N 0 3 323.389 1.945 20 10 DDCDHN COC(=O)CC[N@H+](Cc1c([O-])cccc1OC)C[C@@H]1CCCO1 ZINC000769447221 701245047 /nfs/dbraw/zinc/24/50/47/701245047.db2.gz VXJYXUKGSOTQMZ-ZDUSSCGKSA-N 0 3 323.389 1.945 20 10 DDCDHN CC[C@@H]1[C@@H](CO)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839610569 701753796 /nfs/dbraw/zinc/75/37/96/701753796.db2.gz OGCUYROHWGGXMK-NVXWUHKLSA-N 0 3 319.449 1.462 20 10 DDCDHN Cc1cc(CN2CCC(S(N)(=O)=O)CC2)ccc1N(C)C ZINC000815077333 701794624 /nfs/dbraw/zinc/79/46/24/701794624.db2.gz IWXNKRKIHIAYTJ-UHFFFAOYSA-N 0 3 311.451 1.314 20 10 DDCDHN Cc1cc(O)c(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1C(C)C ZINC000840154625 702001189 /nfs/dbraw/zinc/00/11/89/702001189.db2.gz ZEIINCRNTZXYID-RDJZCZTQSA-N 0 3 318.417 1.913 20 10 DDCDHN C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1O ZINC000868217714 702004581 /nfs/dbraw/zinc/00/45/81/702004581.db2.gz VDMMSFDLRKPYBZ-MELADBBJSA-N 0 3 319.405 1.616 20 10 DDCDHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841093276 702343172 /nfs/dbraw/zinc/34/31/72/702343172.db2.gz GHKRMXBRBIORMK-UHFFFAOYSA-N 0 3 306.410 1.254 20 10 DDCDHN C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1cc2c(cc1O)OCO2 ZINC000841892197 702608405 /nfs/dbraw/zinc/60/84/05/702608405.db2.gz UVOCKYOFMWEREO-NWDGAFQWSA-N 0 3 308.378 1.008 20 10 DDCDHN CN(C)c1ccc(/C=C\CN(C)CC(=O)N2CCNCC2)cc1 ZINC000843044031 702807136 /nfs/dbraw/zinc/80/71/36/702807136.db2.gz AGELIXUOVJNTOM-PLNGDYQASA-N 0 3 316.449 1.129 20 10 DDCDHN COc1cccc([C@@H](C)NCCS(=O)(=O)CC2CC2)c1O ZINC000846152268 703243463 /nfs/dbraw/zinc/24/34/63/703243463.db2.gz ABGYELORNVODPS-LLVKDONJSA-N 0 3 313.419 1.876 20 10 DDCDHN CCc1cccc(CN2CN(CCN(C)C)C(=O)[C@H]2C)c1O ZINC000848919096 703603646 /nfs/dbraw/zinc/60/36/46/703603646.db2.gz FBJJJSGJEPLKQT-CYBMUJFWSA-N 0 3 305.422 1.506 20 10 DDCDHN CCc1cccc(CN2CCN(c3nncn3C)CC2)c1O ZINC000848925688 703604330 /nfs/dbraw/zinc/60/43/30/703604330.db2.gz CBPUFGHHJGMUER-UHFFFAOYSA-N 0 3 301.394 1.405 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC000855224060 704473954 /nfs/dbraw/zinc/47/39/54/704473954.db2.gz DVFZUYPSHVPNKV-LSDHHAIUSA-N 0 3 317.433 1.732 20 10 DDCDHN COc1cc(Br)cc(CNCc2c[nH]nn2)c1O ZINC000858198447 704677025 /nfs/dbraw/zinc/67/70/25/704677025.db2.gz OOUGZFMIPXXPMC-UHFFFAOYSA-N 0 3 313.155 1.571 20 10 DDCDHN COCC(C)(C)N1CCN(Cc2c(O)cccc2OC)CC1 ZINC000822498342 704961042 /nfs/dbraw/zinc/96/10/42/704961042.db2.gz YNANNIUVYLNGHL-UHFFFAOYSA-N 0 3 308.422 1.943 20 10 DDCDHN Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c([O-])c1 ZINC000876558037 705757669 /nfs/dbraw/zinc/75/76/69/705757669.db2.gz HMRMHLGARKHYKN-INIZCTEOSA-N 0 3 318.417 1.771 20 10 DDCDHN Cc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c([O-])c1 ZINC000876558037 705757670 /nfs/dbraw/zinc/75/76/70/705757670.db2.gz HMRMHLGARKHYKN-INIZCTEOSA-N 0 3 318.417 1.771 20 10 DDCDHN CCN(C#N)CCN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000878358269 706369178 /nfs/dbraw/zinc/36/91/78/706369178.db2.gz NEXPMPBCIMQTNK-HNNXBMFYSA-N 0 3 302.422 1.977 20 10 DDCDHN C[C@@H]1CC[C@H](CO)N1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000880438368 706976474 /nfs/dbraw/zinc/97/64/74/706976474.db2.gz DFNJVOHGVWAZKZ-CZUORRHYSA-N 0 3 305.422 1.214 20 10 DDCDHN C[C@@H](N)c1cn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC000881083767 707119092 /nfs/dbraw/zinc/11/90/92/707119092.db2.gz IERZZPLKSWUUKM-GFCCVEGCSA-N 0 3 316.409 1.022 20 10 DDCDHN CN(C)c1ccc(C[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC000898158778 708560752 /nfs/dbraw/zinc/56/07/52/708560752.db2.gz FDGRZFHGNLFHPI-CQSZACIVSA-N 0 3 313.405 1.617 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H]2O)N(C)C)cc1 ZINC000899094998 708981912 /nfs/dbraw/zinc/98/19/12/708981912.db2.gz CLUKTPGYAJSHIO-OWCLPIDISA-N 0 3 320.437 1.178 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC(C)(C)O)N(C)C)cc1 ZINC000899101714 708983715 /nfs/dbraw/zinc/98/37/15/708983715.db2.gz KUYVZFSJDXJTJM-HNNXBMFYSA-N 0 3 322.453 1.425 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H](O)C2CCC2)N(C)C)cc1 ZINC000891247012 710140492 /nfs/dbraw/zinc/14/04/92/710140492.db2.gz GLKAGGXADBIEOF-IRXDYDNUSA-N 0 3 319.449 1.633 20 10 DDCDHN CC(C)[C@@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247787 710140725 /nfs/dbraw/zinc/14/07/25/710140725.db2.gz KMWGLNPCFYIKNP-HZPDHXFCSA-N 0 3 307.438 1.488 20 10 DDCDHN CO[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000891248752 710141328 /nfs/dbraw/zinc/14/13/28/710141328.db2.gz NSGZDCWMLSWUET-DLBZAZTESA-N 0 3 319.449 1.897 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cocn2)N(C)C)cc1 ZINC000891251052 710141910 /nfs/dbraw/zinc/14/19/10/710141910.db2.gz COVWVBNGOZYNTO-HNNXBMFYSA-N 0 3 302.378 1.773 20 10 DDCDHN Nc1ccc(CCNC(=O)NC[C@H]2Cc3ccccc3CN2)cc1 ZINC000892038944 710358252 /nfs/dbraw/zinc/35/82/52/710358252.db2.gz LMAGFBHFBCBJTG-GOSISDBHSA-N 0 3 324.428 1.825 20 10 DDCDHN COc1ccc(CN[C@@H](C)[C@@H](O)C(F)(F)F)c(O)c1OC ZINC000895759494 711598202 /nfs/dbraw/zinc/59/82/02/711598202.db2.gz HNWAQGXLOQWHKX-JVXZTZIISA-N 0 3 309.284 1.811 20 10 DDCDHN COC(=O)Cc1cc(NCCc2cc(O)c(O)cc2O)ccn1 ZINC001168014232 740626101 /nfs/dbraw/zinc/62/61/01/740626101.db2.gz QKNLMXRMJDXEER-UHFFFAOYSA-N 0 3 318.329 1.569 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)NC3=O)c([O-])c1 ZINC001181586255 743254819 /nfs/dbraw/zinc/25/48/19/743254819.db2.gz AUZXFVMEFVFUQQ-BLLLJJGKSA-N 0 3 303.362 1.169 20 10 DDCDHN Cc1cnc(N2CCN(Cc3c(O)cc(O)cc3O)CC2)nc1 ZINC001144516207 772559015 /nfs/dbraw/zinc/55/90/15/772559015.db2.gz SZZHCAYKSLJGIJ-UHFFFAOYSA-N 0 3 316.361 1.224 20 10 DDCDHN COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C[C@@H]1C(=O)OC ZINC001173567103 777245986 /nfs/dbraw/zinc/24/59/86/777245986.db2.gz VSUSSYXYCSXRMH-CLLJXQQHSA-N 0 3 307.346 1.223 20 10 DDCDHN [NH3+][C@H]1CCCn2nc(C(=O)NCc3c([O-])cccc3F)cc21 ZINC001122174691 858702835 /nfs/dbraw/zinc/70/28/35/858702835.db2.gz YZRNBQHXSSHKFP-NSHDSACASA-N 0 3 304.325 1.451 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001122258510 858726835 /nfs/dbraw/zinc/72/68/35/858726835.db2.gz XQYKJWKCGXIEBN-OAHLLOKOSA-N 0 3 307.325 1.046 20 10 DDCDHN COC(=O)C1(O)CCN(Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138259345 860047860 /nfs/dbraw/zinc/04/78/60/860047860.db2.gz GMSOQLBLRVSNKJ-UHFFFAOYSA-N 0 3 316.401 1.987 20 10 DDCDHN C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2cc(F)ccc2[O-])C1 ZINC001140062827 860568212 /nfs/dbraw/zinc/56/82/12/860568212.db2.gz FXYQTLRHXRAHIO-ZDUSSCGKSA-N 0 3 318.396 1.921 20 10 DDCDHN CNC(=O)C1CC[NH+](Cc2c([O-])cc(OC)cc2OC)CC1 ZINC001141031597 860767547 /nfs/dbraw/zinc/76/75/47/860767547.db2.gz IQCVQNKSBOYCOO-UHFFFAOYSA-N 0 3 308.378 1.367 20 10 DDCDHN CN1CCOc2cc(CN3CCC4(COC(=O)N4)CC3)ccc21 ZINC001141145237 860794759 /nfs/dbraw/zinc/79/47/59/860794759.db2.gz SFOGVVPTXSZTCR-UHFFFAOYSA-N 0 3 317.389 1.590 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC(C)(O)CC3)cc2F)CC1 ZINC001324745590 867493103 /nfs/dbraw/zinc/49/31/03/867493103.db2.gz AEPZHQRUZZYZPM-UHFFFAOYSA-N 0 3 321.440 1.924 20 10 DDCDHN Oc1ccccc1CN1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001203551704 870635410 /nfs/dbraw/zinc/63/54/10/870635410.db2.gz LAWMAGCZJIUJHU-ZBFHGGJFSA-N 0 3 312.373 1.272 20 10 DDCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001203551704 870635417 /nfs/dbraw/zinc/63/54/17/870635417.db2.gz LAWMAGCZJIUJHU-ZBFHGGJFSA-N 0 3 312.373 1.272 20 10 DDCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001203551704 870635424 /nfs/dbraw/zinc/63/54/24/870635424.db2.gz LAWMAGCZJIUJHU-ZBFHGGJFSA-N 0 3 312.373 1.272 20 10 DDCDHN O=C1C[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)CN1c1cncnc1 ZINC001203557036 870638600 /nfs/dbraw/zinc/63/86/00/870638600.db2.gz YZWHDLFRULMMFU-SFHVURJKSA-N 0 3 324.384 1.811 20 10 DDCDHN O=C1C[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)CN1c1cncnc1 ZINC001203557036 870638609 /nfs/dbraw/zinc/63/86/09/870638609.db2.gz YZWHDLFRULMMFU-SFHVURJKSA-N 0 3 324.384 1.811 20 10 DDCDHN O=C(NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1)N1CCCC1 ZINC001204278055 871037971 /nfs/dbraw/zinc/03/79/71/871037971.db2.gz RCXUDAHCDJVIAF-UHFFFAOYSA-N 0 3 319.405 1.868 20 10 DDCDHN C[C@H]1CN(CCO)CCN1Cc1ccc(N2CCCC2)cc1 ZINC001344075178 872850630 /nfs/dbraw/zinc/85/06/30/872850630.db2.gz MFAAHIQZPPDTCB-INIZCTEOSA-N 0 3 303.450 1.785 20 10 DDCDHN Nc1ccc(CNC(=O)NC[C@@H]2Cc3ccccc3CN2)cc1 ZINC001357668151 880126688 /nfs/dbraw/zinc/12/66/88/880126688.db2.gz LCZDDCBNXDVTBG-KRWDZBQOSA-N 0 3 310.401 1.783 20 10 DDCDHN CCN(CC)c1ccc(CN2CCNC[C@@H]2C(=O)OC)cc1 ZINC001222414921 880450675 /nfs/dbraw/zinc/45/06/75/880450675.db2.gz QBZSJDTWBYTFGU-MRXNPFEDSA-N 0 3 305.422 1.480 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCCC3(CN(C)C3)C2)c([O-])c1 ZINC001277420727 884164011 /nfs/dbraw/zinc/16/40/11/884164011.db2.gz GOMVUZAQKUHWDL-UHFFFAOYSA-N 0 3 318.417 1.635 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCCC3(CN(C)C3)C2)c([O-])c1 ZINC001277420727 884164019 /nfs/dbraw/zinc/16/40/19/884164019.db2.gz GOMVUZAQKUHWDL-UHFFFAOYSA-N 0 3 318.417 1.635 20 10 DDCDHN CN(C)c1ccc(CN2CCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC001232838983 886627885 /nfs/dbraw/zinc/62/78/85/886627885.db2.gz LNROJAUKISZNFX-QGZVFWFLSA-N 0 3 319.449 1.755 20 10 DDCDHN Oc1cc(CN2CC[C@@H](O)[C@@H]2Cc2ccccc2)cc(O)c1O ZINC001233013417 886725708 /nfs/dbraw/zinc/72/57/08/886725708.db2.gz WSVRUOGBWUPTMY-LSDHHAIUSA-N 0 3 315.369 1.981 20 10 DDCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@H](O)CO)c1[O-] ZINC001233109469 886787728 /nfs/dbraw/zinc/78/77/28/886787728.db2.gz YBNWEQKHDXWDSY-NSHDSACASA-N 0 3 304.184 1.248 20 10 DDCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@H](O)CO)c1[O-] ZINC001233109469 886787739 /nfs/dbraw/zinc/78/77/39/886787739.db2.gz YBNWEQKHDXWDSY-NSHDSACASA-N 0 3 304.184 1.248 20 10 DDCDHN CCN1CCN(c2ccc(OC[C@@H]3COCCO3)cc2)CC1 ZINC001234658118 888172675 /nfs/dbraw/zinc/17/26/75/888172675.db2.gz UYZYPGWDIHJYET-KRWDZBQOSA-N 0 3 306.406 1.623 20 10 DDCDHN CN(C)C1CN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236774214 889350554 /nfs/dbraw/zinc/35/05/54/889350554.db2.gz YCXMBONSBUWODJ-UHFFFAOYSA-N 0 3 301.184 1.606 20 10 DDCDHN CC(C)c1ccc(C[NH+]2CCC3(CC2)COCC(=O)N3)c([O-])c1 ZINC001237048196 889481294 /nfs/dbraw/zinc/48/12/94/889481294.db2.gz BOHSKMWADXEABI-UHFFFAOYSA-N 0 3 318.417 1.997 20 10 DDCDHN Cc1cccc(O)c1CN1CCN(CCN2CCOCC2)CC1 ZINC001237488903 889666333 /nfs/dbraw/zinc/66/63/33/889666333.db2.gz AJGOBZJKYBKQAY-UHFFFAOYSA-N 0 3 319.449 1.150 20 10 DDCDHN CCOC(=O)[C@H]1CCN(Cc2cc(OC)cc(OC)c2O)C1 ZINC001237679747 889799998 /nfs/dbraw/zinc/79/99/98/889799998.db2.gz ZBZZDTJDUUYBAQ-NSHDSACASA-N 0 3 309.362 1.794 20 10 DDCDHN O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cccc(O)c1[O-] ZINC000280663981 130812262 /nfs/dbraw/zinc/81/22/62/130812262.db2.gz OTBYEMVGMBRJAC-UHFFFAOYSA-N 0 3 320.389 1.473 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](C)C1)cc2=O ZINC000299617010 132113101 /nfs/dbraw/zinc/11/31/01/132113101.db2.gz IUZNYWQUBNBZFB-JTQLQIEISA-N 0 3 304.350 1.453 20 10 DDCDHN CCCN(CC(=O)NC[C@H]1CCCO1)Cc1ccccc1O ZINC000076073994 406953832 /nfs/dbraw/zinc/95/38/32/406953832.db2.gz XXEZWZBLQXFRLV-OAHLLOKOSA-N 0 3 306.406 1.899 20 10 DDCDHN COc1cccc(CN[C@H](C)C(=O)NCc2ccco2)c1O ZINC000111399477 407409382 /nfs/dbraw/zinc/40/93/82/407409382.db2.gz NXWRLZSHMPXHTA-LLVKDONJSA-N 0 3 304.346 1.788 20 10 DDCDHN C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000186078110 407572035 /nfs/dbraw/zinc/57/20/35/407572035.db2.gz FYLAZFFSRCCQAR-SNVBAGLBSA-N 0 3 305.371 1.243 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]1C)cc2=O ZINC000173990478 407908152 /nfs/dbraw/zinc/90/81/52/407908152.db2.gz XXADTMMQYRXWFC-JTQLQIEISA-N 0 3 304.350 1.596 20 10 DDCDHN COCCOCCOCC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000276129590 408822475 /nfs/dbraw/zinc/82/24/75/408822475.db2.gz CMIQROCIUFDRAY-UHFFFAOYSA-N 0 3 301.358 1.643 20 10 DDCDHN COCCOCCOCC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000276129590 408822476 /nfs/dbraw/zinc/82/24/76/408822476.db2.gz CMIQROCIUFDRAY-UHFFFAOYSA-N 0 3 301.358 1.643 20 10 DDCDHN O=C1CCCN1[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000276868963 408901852 /nfs/dbraw/zinc/90/18/52/408901852.db2.gz KXKDCCOTSFNTPT-LBPRGKRZSA-N 0 3 304.346 1.318 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)c([O-])c1 ZINC000277136608 408906056 /nfs/dbraw/zinc/90/60/56/408906056.db2.gz OYFAKJKPEAKDRG-GFCCVEGCSA-N 0 3 315.439 1.184 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000295100543 409320218 /nfs/dbraw/zinc/32/02/18/409320218.db2.gz KKCAZMBIWPXUMW-ZIAGYGMSSA-N 0 3 308.422 1.898 20 10 DDCDHN C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000284990715 409391622 /nfs/dbraw/zinc/39/16/22/409391622.db2.gz CJGZCYTUILVWCZ-GXTWGEPZSA-N 0 3 320.389 1.416 20 10 DDCDHN C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000284990715 409391627 /nfs/dbraw/zinc/39/16/27/409391627.db2.gz CJGZCYTUILVWCZ-GXTWGEPZSA-N 0 3 320.389 1.416 20 10 DDCDHN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1cc2c(cc1O)OCO2 ZINC000284990715 409391632 /nfs/dbraw/zinc/39/16/32/409391632.db2.gz CJGZCYTUILVWCZ-GXTWGEPZSA-N 0 3 320.389 1.416 20 10 DDCDHN Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc([O-])c43)C2=O)cn1 ZINC000296916132 409703969 /nfs/dbraw/zinc/70/39/69/409703969.db2.gz PMBMMIUAAZTYCR-ZIAGYGMSSA-N 0 3 312.373 1.508 20 10 DDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c1[O-] ZINC000366541904 418487153 /nfs/dbraw/zinc/48/71/53/418487153.db2.gz AVKBCKSBLPKWDU-RYUDHWBXSA-N 0 3 308.765 1.449 20 10 DDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c1[O-] ZINC000366541904 418487155 /nfs/dbraw/zinc/48/71/55/418487155.db2.gz AVKBCKSBLPKWDU-RYUDHWBXSA-N 0 3 308.765 1.449 20 10 DDCDHN CN1CCN(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)C(=O)C1 ZINC000374742513 418558721 /nfs/dbraw/zinc/55/87/21/418558721.db2.gz JMDUKWYFZRWSGR-UHFFFAOYSA-N 0 3 321.396 1.270 20 10 DDCDHN COc1ccc(O)c([C@H](C)N2CC[C@@H]3OCC(=O)N[C@H]3C2)c1 ZINC000377702148 418713160 /nfs/dbraw/zinc/71/31/60/418713160.db2.gz PHLVKQIVJLASDY-XEGUGMAKSA-N 0 3 306.362 1.051 20 10 DDCDHN Cc1ccc([O-])c(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c1 ZINC000378151636 418719396 /nfs/dbraw/zinc/71/93/96/418719396.db2.gz OFNZBPUWODBMAV-GOSISDBHSA-N 0 3 320.433 1.672 20 10 DDCDHN CCOc1cccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000378346024 418721060 /nfs/dbraw/zinc/72/10/60/418721060.db2.gz CCVUGLVFWMVDCN-CVEARBPZSA-N 0 3 320.433 1.822 20 10 DDCDHN CN(C)[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCN3C)C1 ZINC000376241306 418694303 /nfs/dbraw/zinc/69/43/03/418694303.db2.gz SQJZIHKUNNGAMK-INIZCTEOSA-N 0 3 316.449 1.915 20 10 DDCDHN COc1ccc(O)c([C@@H](C)N2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000364414984 418777461 /nfs/dbraw/zinc/77/74/61/418777461.db2.gz HNVWXOZQQKXSNR-OLZOCXBDSA-N 0 3 319.405 1.951 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1OC ZINC000180560468 295004416 /nfs/dbraw/zinc/00/44/16/295004416.db2.gz SMMMQOBORIBQMX-LLVKDONJSA-N 0 3 308.378 1.497 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](CC(N)=O)C2)cc1OC ZINC000180560468 295004419 /nfs/dbraw/zinc/00/44/19/295004419.db2.gz SMMMQOBORIBQMX-LLVKDONJSA-N 0 3 308.378 1.497 20 10 DDCDHN COc1cccc(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1O ZINC000130252291 525991165 /nfs/dbraw/zinc/99/11/65/525991165.db2.gz ZSCOUOBAKIQNJY-WCQYABFASA-N 0 3 319.405 1.825 20 10 DDCDHN CS(=O)(=O)N[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000116869177 696668729 /nfs/dbraw/zinc/66/87/29/696668729.db2.gz DEYWPPPAYZEEOZ-CQSZACIVSA-N 0 3 310.419 1.004 20 10 DDCDHN COC(=O)CCN1CCN(Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000154758004 696937183 /nfs/dbraw/zinc/93/71/83/696937183.db2.gz HFXVZGFTBANSKR-HNNXBMFYSA-N 0 3 319.449 1.822 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NC(=O)NCC(C)C)c1 ZINC000775373023 697989828 /nfs/dbraw/zinc/98/98/28/697989828.db2.gz LHPUBEQNMKKOQP-NSHDSACASA-N 0 3 323.393 1.533 20 10 DDCDHN CCCCNC(=O)NC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000775373080 697989892 /nfs/dbraw/zinc/98/98/92/697989892.db2.gz MFCSGSHSCKZWIU-LLVKDONJSA-N 0 3 323.393 1.677 20 10 DDCDHN CC(C)NC(=O)CN(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775644304 698018730 /nfs/dbraw/zinc/01/87/30/698018730.db2.gz GSVFCUUTTIUSKI-UHFFFAOYSA-N 0 3 318.465 1.395 20 10 DDCDHN CCOc1ccc(CN2CCc3n[nH]c(=O)cc3C2)c(O)c1 ZINC000775995035 698058835 /nfs/dbraw/zinc/05/88/35/698058835.db2.gz JTWRYHXBISOURQ-UHFFFAOYSA-N 0 3 301.346 1.845 20 10 DDCDHN COCCn1cc(CNCc2cc(OC)c(OC)cc2O)cn1 ZINC000800526972 700231224 /nfs/dbraw/zinc/23/12/24/700231224.db2.gz HZXCBBHEFUSTIL-UHFFFAOYSA-N 0 3 321.377 1.542 20 10 DDCDHN Cc1cc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)ccc1N(C)C ZINC000294020809 698580689 /nfs/dbraw/zinc/58/06/89/698580689.db2.gz HJLNOHKHUQTONG-CABCVRRESA-N 0 3 303.406 1.991 20 10 DDCDHN CC(=O)c1cc(F)cc(C[NH+]2CCC3(COC(=O)N3)CC2)c1[O-] ZINC000784465898 698940855 /nfs/dbraw/zinc/94/08/55/698940855.db2.gz POQUOLBTWYAELS-UHFFFAOYSA-N 0 3 322.336 1.808 20 10 DDCDHN CC(C)(NCc1cc2c(cc1O)OCO2)C(=O)N1CCCC1 ZINC000793394793 699753876 /nfs/dbraw/zinc/75/38/76/699753876.db2.gz LLVKOJYTOFPRSS-UHFFFAOYSA-N 0 3 306.362 1.612 20 10 DDCDHN CN(Cc1cc2c(cc1O)CCC2)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793588848 699766006 /nfs/dbraw/zinc/76/60/06/699766006.db2.gz NIEZXWOWKDIXMN-HNNXBMFYSA-N 0 3 324.446 1.347 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCCS2(=O)=O)c([O-])c1 ZINC000756689973 700635513 /nfs/dbraw/zinc/63/55/13/700635513.db2.gz WKISWMQGEIFLSQ-CYBMUJFWSA-N 0 3 312.435 1.777 20 10 DDCDHN CN1CCN(C(=O)C[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816542237 702109928 /nfs/dbraw/zinc/10/99/28/702109928.db2.gz HZLISSLDSHRDSK-UHFFFAOYSA-N 0 3 313.401 1.409 20 10 DDCDHN Nc1ccc(NC(=O)C(=O)NCCN2CCCCCC2)cc1 ZINC000841007004 702307712 /nfs/dbraw/zinc/30/77/12/702307712.db2.gz JUZDKEYHNJDJLJ-UHFFFAOYSA-N 0 3 304.394 1.200 20 10 DDCDHN COc1ccc(N2CC[C@H](CNC(=O)[C@H](N)C3CCC3)C2)cc1 ZINC000818269571 702621373 /nfs/dbraw/zinc/62/13/73/702621373.db2.gz FEXDSXQNEGHPDE-CXAGYDPISA-N 0 3 317.433 1.765 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2CCN([C@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000843385043 702870863 /nfs/dbraw/zinc/87/08/63/702870863.db2.gz RGCQAOSGOWLRJX-HNNXBMFYSA-N 0 3 321.396 1.213 20 10 DDCDHN COCCNC(=[NH2+])NCc1cc(Br)ccc1[O-] ZINC000849028040 703612852 /nfs/dbraw/zinc/61/28/52/703612852.db2.gz YQAFAXRYRBIDDG-UHFFFAOYSA-N 0 3 302.172 1.415 20 10 DDCDHN CN(C)c1ccc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1F ZINC000851657059 703823763 /nfs/dbraw/zinc/82/37/63/703823763.db2.gz UNPDHOZBYLSSOB-DGCLKSJQSA-N 0 3 312.364 1.472 20 10 DDCDHN CCO[C@@H]1COC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000825196555 705622355 /nfs/dbraw/zinc/62/23/55/705622355.db2.gz JDYHKPTWIUZMPF-IAGOWNOFSA-N 0 3 306.406 1.417 20 10 DDCDHN C[C@H]1CN(CCO)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000825336966 705648897 /nfs/dbraw/zinc/64/88/97/705648897.db2.gz BIKRYACCDUWXLQ-INIZCTEOSA-N 0 3 319.449 1.022 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@]1(CO)CCOC1 ZINC000862426522 705715978 /nfs/dbraw/zinc/71/59/78/705715978.db2.gz ICHDJQFZHRVBMM-KRWDZBQOSA-N 0 3 324.396 1.246 20 10 DDCDHN CCON(CC)C(=O)CNCc1cc(OC)c(OC)cc1O ZINC000862451580 705718333 /nfs/dbraw/zinc/71/83/33/705718333.db2.gz FAVZVEUXJWYQCL-UHFFFAOYSA-N 0 3 312.366 1.299 20 10 DDCDHN COC[C@@]1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCCCN1 ZINC000876741799 705852173 /nfs/dbraw/zinc/85/21/73/705852173.db2.gz SSKGXJOPIPHUPP-QGZVFWFLSA-N 0 3 323.412 1.667 20 10 DDCDHN CC[C@H](N)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877227014 706022962 /nfs/dbraw/zinc/02/29/62/706022962.db2.gz AGTUOSSOTRDFFY-ZDUSSCGKSA-N 0 3 307.394 1.090 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC3(CCNC3=O)CC2)c([O-])c1 ZINC000877783280 706210608 /nfs/dbraw/zinc/21/06/08/706210608.db2.gz MWHQEFQPUWLIPH-UHFFFAOYSA-N 0 3 304.390 1.893 20 10 DDCDHN CC(C)N(CC(=O)NCc1ccc(N(C)C)cc1)C[C@@H](C)O ZINC000839484249 708051236 /nfs/dbraw/zinc/05/12/36/708051236.db2.gz DFDFXJRAMFMGJW-CQSZACIVSA-N 0 3 307.438 1.460 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2C[C@@H](O)C2)N(C)C)cc1 ZINC000899097832 708982617 /nfs/dbraw/zinc/98/26/17/708982617.db2.gz HNSDMEZULYPITI-VNQPRFMTSA-N 0 3 320.437 1.178 20 10 DDCDHN C[C@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103122 708984107 /nfs/dbraw/zinc/98/41/07/708984107.db2.gz WOOFCLLINKLMEM-DOMZBBRYSA-N 0 3 308.426 1.035 20 10 DDCDHN C[C@@H]1C[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CO1 ZINC000891248819 710141097 /nfs/dbraw/zinc/14/10/97/710141097.db2.gz OFNWBRFHXAAXOJ-UNEWFSDZSA-N 0 3 319.449 1.897 20 10 DDCDHN CCO[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251194 710141873 /nfs/dbraw/zinc/14/18/73/710141873.db2.gz ATDCEJZWIHMASI-XJKSGUPXSA-N 0 3 307.438 1.897 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)Cn2cccn2)N(C)C)cc1 ZINC000891252127 710142438 /nfs/dbraw/zinc/14/24/38/710142438.db2.gz GOLCUIOLRWJCRA-INIZCTEOSA-N 0 3 315.421 1.368 20 10 DDCDHN CN1CCCc2cc(CNC3CC(S(C)(=O)=O)C3)ccc21 ZINC000892731527 710489553 /nfs/dbraw/zinc/48/95/53/710489553.db2.gz DDDPUOLQZNAUFX-UHFFFAOYSA-N 0 3 308.447 1.734 20 10 DDCDHN CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(OC)c(OC)c1O ZINC000893335146 710603966 /nfs/dbraw/zinc/60/39/66/710603966.db2.gz OQJYEXSPPJIBCI-QWRGUYRKSA-N 0 3 310.394 1.802 20 10 DDCDHN COc1cc(C)cc(CNCc2ccc(C(N)=O)nc2)c1O ZINC000894339406 711076525 /nfs/dbraw/zinc/07/65/25/711076525.db2.gz XSVCMTZOZORCHT-UHFFFAOYSA-N 0 3 301.346 1.493 20 10 DDCDHN CO[C@@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCS(=O)(=O)C1 ZINC000903363594 711104060 /nfs/dbraw/zinc/10/40/60/711104060.db2.gz PEUKLNGPEQHZNU-IUODEOHRSA-N 0 3 311.403 1.173 20 10 DDCDHN C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1NCCF ZINC000939833728 716451337 /nfs/dbraw/zinc/45/13/37/716451337.db2.gz XSWKEPCFYCSSHU-GXFFZTMASA-N 0 3 321.356 1.869 20 10 DDCDHN Cc1n[nH]c(CC[NH2+]Cc2ccc(Br)cc2[O-])n1 ZINC000691394089 749767709 /nfs/dbraw/zinc/76/77/09/749767709.db2.gz ZNNITPHFBUIYRP-UHFFFAOYSA-N 0 3 311.183 1.914 20 10 DDCDHN CN(C)CCN(C(=O)Cc1ccc(O)c(O)c1)C1CCCC1 ZINC001144198242 772437726 /nfs/dbraw/zinc/43/77/26/772437726.db2.gz YYOJOAMCQKUZMS-UHFFFAOYSA-N 0 3 306.406 1.973 20 10 DDCDHN CN1CC2(C1)CCN(C(=O)CCc1ccc(O)c(O)c1)CC2 ZINC001271834348 844145149 /nfs/dbraw/zinc/14/51/49/844145149.db2.gz MEUQOEKOERBYGZ-UHFFFAOYSA-N 0 3 304.390 1.585 20 10 DDCDHN CC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618047 846414876 /nfs/dbraw/zinc/41/48/76/846414876.db2.gz ALGWFZCSDAOISS-SCLBCKFNSA-N 0 3 316.401 1.794 20 10 DDCDHN CC(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618047 846414881 /nfs/dbraw/zinc/41/48/81/846414881.db2.gz ALGWFZCSDAOISS-SCLBCKFNSA-N 0 3 316.401 1.794 20 10 DDCDHN Cc1cc(CN2CC[C@@]3(C2)CN(C)C(=O)CO3)ccc1N(C)C ZINC001273206678 848759556 /nfs/dbraw/zinc/75/95/56/848759556.db2.gz PVSQSXJDZLKDLV-SFHVURJKSA-N 0 3 317.433 1.494 20 10 DDCDHN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)ccc2[O-])N1C1COC1 ZINC001273284651 849332114 /nfs/dbraw/zinc/33/21/14/849332114.db2.gz JCHUFGUGWJTHMX-HUUCEWRRSA-N 0 3 320.364 1.495 20 10 DDCDHN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)ccc2[O-])N1C1COC1 ZINC001273284651 849332109 /nfs/dbraw/zinc/33/21/09/849332109.db2.gz JCHUFGUGWJTHMX-HUUCEWRRSA-N 0 3 320.364 1.495 20 10 DDCDHN COc1ccc(C[N@@H+]2CCC[C@]3(CN(C)CCO3)C2)c([O-])c1 ZINC001275275538 852944470 /nfs/dbraw/zinc/94/44/70/852944470.db2.gz KQBHGEBKVHXZOM-KRWDZBQOSA-N 0 3 306.406 1.697 20 10 DDCDHN COc1ccc(C[N@H+]2CCC[C@]3(CN(C)CCO3)C2)c([O-])c1 ZINC001275275538 852944474 /nfs/dbraw/zinc/94/44/74/852944474.db2.gz KQBHGEBKVHXZOM-KRWDZBQOSA-N 0 3 306.406 1.697 20 10 DDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001275909156 853929829 /nfs/dbraw/zinc/92/98/29/853929829.db2.gz SFWWBVUPWJHSMM-XJKSGUPXSA-N 0 3 316.380 1.961 20 10 DDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001275909156 853929834 /nfs/dbraw/zinc/92/98/34/853929834.db2.gz SFWWBVUPWJHSMM-XJKSGUPXSA-N 0 3 316.380 1.961 20 10 DDCDHN CCNC(=O)CO[C@@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141160958 860799829 /nfs/dbraw/zinc/79/98/29/860799829.db2.gz KXKLYSHIHDZAJF-CQSZACIVSA-N 0 3 308.378 1.215 20 10 DDCDHN COc1cc(C)cc(CN[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC001333718217 866961183 /nfs/dbraw/zinc/96/11/83/866961183.db2.gz HAHCBLXKPTXXCC-DGCLKSJQSA-N 0 3 313.419 1.765 20 10 DDCDHN Cc1ccc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)c([O-])c1 ZINC001335560968 868386018 /nfs/dbraw/zinc/38/60/18/868386018.db2.gz OXIJBAFGTREXQW-UHFFFAOYSA-N 0 3 307.390 1.838 20 10 DDCDHN Cc1nnc(CNCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC001336843956 869178943 /nfs/dbraw/zinc/17/89/43/869178943.db2.gz WPSMMGGWWVJTNH-UHFFFAOYSA-N 0 3 317.462 1.888 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c([O-])c1 ZINC001337264373 869408464 /nfs/dbraw/zinc/40/84/64/869408464.db2.gz RYNPZOSYSGVVMO-CQSZACIVSA-N 0 3 316.405 1.893 20 10 DDCDHN O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)N1CCOCC1 ZINC001203561649 870644615 /nfs/dbraw/zinc/64/46/15/870644615.db2.gz XQZPOZWSJQDNKT-HNNXBMFYSA-N 0 3 319.405 1.398 20 10 DDCDHN O=C(N[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1)N1CCOCC1 ZINC001203561649 870644619 /nfs/dbraw/zinc/64/46/19/870644619.db2.gz XQZPOZWSJQDNKT-HNNXBMFYSA-N 0 3 319.405 1.398 20 10 DDCDHN CCN1CC[C@@]2(C[N@H+](Cc3ccc(O)cc3[O-])C[C@@H]2C)C1=O ZINC001204273571 871033266 /nfs/dbraw/zinc/03/32/66/871033266.db2.gz RLQSBUVACKMSJE-SJCJKPOMSA-N 0 3 304.390 1.788 20 10 DDCDHN CCN1CC[C@@]2(C[N@@H+](Cc3ccc(O)cc3[O-])C[C@@H]2C)C1=O ZINC001204273571 871033286 /nfs/dbraw/zinc/03/32/86/871033286.db2.gz RLQSBUVACKMSJE-SJCJKPOMSA-N 0 3 304.390 1.788 20 10 DDCDHN O=C([C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1)N1CCCC1 ZINC001204275589 871034197 /nfs/dbraw/zinc/03/41/97/871034197.db2.gz WOTFSJVUMWJXFI-CQSZACIVSA-N 0 3 304.390 1.932 20 10 DDCDHN O=C([C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1)N1CCCC1 ZINC001204275589 871034213 /nfs/dbraw/zinc/03/42/13/871034213.db2.gz WOTFSJVUMWJXFI-CQSZACIVSA-N 0 3 304.390 1.932 20 10 DDCDHN CCOC(=O)c1cc(CNCc2ccc(OC)cc2O)[nH]n1 ZINC001346043827 873598818 /nfs/dbraw/zinc/59/88/18/873598818.db2.gz JKTJOPFHBDGUEL-UHFFFAOYSA-N 0 3 305.334 1.590 20 10 DDCDHN COc1cc([N+](=O)[O-])c(N2CC(N[C@@H]3CCOC3)C2)cc1OC ZINC001472888317 878325519 /nfs/dbraw/zinc/32/55/19/878325519.db2.gz HIRXOHNDSOCDIE-SNVBAGLBSA-N 0 3 323.349 1.179 20 10 DDCDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1O ZINC001355364495 878521528 /nfs/dbraw/zinc/52/15/28/878521528.db2.gz XCZRAZDOPVIJKQ-DYVFJYSZSA-N 0 3 307.413 1.390 20 10 DDCDHN CN(C)C(=O)[C@H]1CCSC12CN(Cc1ccccc1O)C2 ZINC001277440840 884289918 /nfs/dbraw/zinc/28/99/18/884289918.db2.gz FXIRIIPXHYHOFI-CYBMUJFWSA-N 0 3 306.431 1.788 20 10 DDCDHN CCOc1cccc(CN2CC3(C2)CCOC[C@@H]3C(N)=O)c1O ZINC001277453623 884429365 /nfs/dbraw/zinc/42/93/65/884429365.db2.gz DAOPLNYOISXINK-CYBMUJFWSA-N 0 3 320.389 1.115 20 10 DDCDHN COc1cc(CN2CCC[C@]3(CCC(=O)O3)C2)c(O)cc1O ZINC001231638701 885775768 /nfs/dbraw/zinc/77/57/68/885775768.db2.gz DPIDEJKCZUIZQH-INIZCTEOSA-N 0 3 307.346 1.778 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CC[C@](C)(CO)[C@@H](O)C1 ZINC001231849110 885904084 /nfs/dbraw/zinc/90/40/84/885904084.db2.gz OHGPTUJKPMHTNT-DLBZAZTESA-N 0 3 308.422 1.326 20 10 DDCDHN [O-]c1c(C[N@H+]2C[C@H](CO)[C@H](O)C2)cccc1OC(F)(F)F ZINC001233727294 887254890 /nfs/dbraw/zinc/25/48/90/887254890.db2.gz LQTUBRRFVXZWAU-NXEZZACHSA-N 0 3 307.268 1.076 20 10 DDCDHN [O-]c1c(C[N@@H+]2C[C@H](CO)[C@H](O)C2)cccc1OC(F)(F)F ZINC001233727294 887254906 /nfs/dbraw/zinc/25/49/06/887254906.db2.gz LQTUBRRFVXZWAU-NXEZZACHSA-N 0 3 307.268 1.076 20 10 DDCDHN CC(C)c1ccc(CN2CCN(CC(N)=O)C(C)(C)C2)c(O)c1 ZINC001237049772 889481555 /nfs/dbraw/zinc/48/15/55/889481555.db2.gz SYSFVDRSQOJEJM-UHFFFAOYSA-N 0 3 319.449 1.897 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)c([O-])c1 ZINC001249179033 893854331 /nfs/dbraw/zinc/85/43/31/893854331.db2.gz ZDGKTLCFWVKPFG-SJKOYZFVSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@](C)(O)[C@H](C)C2)c([O-])c1 ZINC001249179033 893854349 /nfs/dbraw/zinc/85/43/49/893854349.db2.gz ZDGKTLCFWVKPFG-SJKOYZFVSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c([O-])c1 ZINC001249173702 893855972 /nfs/dbraw/zinc/85/59/72/893855972.db2.gz VHDMNBUVSUESII-WFASDCNBSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)c([O-])c1 ZINC001249173702 893855993 /nfs/dbraw/zinc/85/59/93/893855993.db2.gz VHDMNBUVSUESII-WFASDCNBSA-N 0 3 307.390 1.701 20 10 DDCDHN COc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001252904767 895532538 /nfs/dbraw/zinc/53/25/38/895532538.db2.gz FHPDNRLORZCFQG-AWEZNQCLSA-N 0 3 319.357 1.636 20 10 DDCDHN Cn1cc(C[C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)cn1 ZINC000083113882 353706580 /nfs/dbraw/zinc/70/65/80/353706580.db2.gz WDLDSWLYWAABGZ-GFCCVEGCSA-N 0 3 315.373 1.919 20 10 DDCDHN Cn1cc(C[C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)cn1 ZINC000083113882 353706583 /nfs/dbraw/zinc/70/65/83/353706583.db2.gz WDLDSWLYWAABGZ-GFCCVEGCSA-N 0 3 315.373 1.919 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c([O-])c1C ZINC000273384670 130113709 /nfs/dbraw/zinc/11/37/09/130113709.db2.gz CQBRZZJFZPVJAW-LBPRGKRZSA-N 0 3 302.378 1.813 20 10 DDCDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccccc1O ZINC000274462606 130238381 /nfs/dbraw/zinc/23/83/81/130238381.db2.gz BXVGKEMRQZGTJI-CQSZACIVSA-N 0 3 320.437 1.217 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000284087218 131047537 /nfs/dbraw/zinc/04/75/37/131047537.db2.gz LTIQBWRDGWKRII-RYUDHWBXSA-N 0 3 313.419 1.876 20 10 DDCDHN Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)c([O-])c1 ZINC000284098333 131048707 /nfs/dbraw/zinc/04/87/07/131048707.db2.gz MRBBVRXYDWICCC-LSDHHAIUSA-N 0 3 319.449 1.999 20 10 DDCDHN Cc1ccc(O)c([C@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC000186054306 407568036 /nfs/dbraw/zinc/56/80/36/407568036.db2.gz ZQXRIGNLRQRZMZ-SWLSCSKDSA-N 0 3 314.389 1.890 20 10 DDCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000271112952 407518607 /nfs/dbraw/zinc/51/86/07/407518607.db2.gz UUNYRTQJCSFAGB-INIZCTEOSA-N 0 3 309.362 1.794 20 10 DDCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000271112952 407518614 /nfs/dbraw/zinc/51/86/14/407518614.db2.gz UUNYRTQJCSFAGB-INIZCTEOSA-N 0 3 309.362 1.794 20 10 DDCDHN COC(=O)[C@@]1(C)CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000271112952 407518619 /nfs/dbraw/zinc/51/86/19/407518619.db2.gz UUNYRTQJCSFAGB-INIZCTEOSA-N 0 3 309.362 1.794 20 10 DDCDHN Cc1ccc(O)c(CN2CCCN(CC(=O)N(C)C)CC2)c1 ZINC000129408734 407608855 /nfs/dbraw/zinc/60/88/55/407608855.db2.gz SJLRDICRJSTYFX-UHFFFAOYSA-N 0 3 305.422 1.297 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+]2CCCN(CC(=O)N(C)C)CC2)c1 ZINC000129408734 407608862 /nfs/dbraw/zinc/60/88/62/407608862.db2.gz SJLRDICRJSTYFX-UHFFFAOYSA-N 0 3 305.422 1.297 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+]2CCCN(CC(=O)N(C)C)CC2)c1 ZINC000129408734 407608864 /nfs/dbraw/zinc/60/88/64/407608864.db2.gz SJLRDICRJSTYFX-UHFFFAOYSA-N 0 3 305.422 1.297 20 10 DDCDHN COc1ccc(N2CCCN([C@@H]3CCCCNC3=O)CC2)cc1 ZINC000179305542 407767766 /nfs/dbraw/zinc/76/77/66/407767766.db2.gz NBKYNAYRDHSZCB-QGZVFWFLSA-N 0 3 317.433 1.876 20 10 DDCDHN CCN1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000118826645 407951312 /nfs/dbraw/zinc/95/13/12/407951312.db2.gz SOZSNQGZFYFGHC-UHFFFAOYSA-N 0 3 318.465 1.396 20 10 DDCDHN COc1cccc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1[O-] ZINC000269906274 408463998 /nfs/dbraw/zinc/46/39/98/408463998.db2.gz HCVFPASSASXADG-JKSUJKDBSA-N 0 3 317.385 1.975 20 10 DDCDHN C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1cc2c(cc1[O-])CCCC2 ZINC000185203282 408780095 /nfs/dbraw/zinc/78/00/95/408780095.db2.gz QHPVRHFOYFAXIE-LLVKDONJSA-N 0 3 317.389 1.473 20 10 DDCDHN COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000278691994 409087116 /nfs/dbraw/zinc/08/71/16/409087116.db2.gz MVILNGKAVLTJJM-DOMZBBRYSA-N 0 3 313.369 1.377 20 10 DDCDHN COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000278691994 409087117 /nfs/dbraw/zinc/08/71/17/409087117.db2.gz MVILNGKAVLTJJM-DOMZBBRYSA-N 0 3 313.369 1.377 20 10 DDCDHN CC(=O)Nc1ccc(CNCc2cc3c(cc2O)OCO3)cn1 ZINC000278731663 409088352 /nfs/dbraw/zinc/08/83/52/409088352.db2.gz UOOHCZXCSSKKQU-UHFFFAOYSA-N 0 3 315.329 1.764 20 10 DDCDHN COC(=O)CCN(Cc1ccc(N(C)C)cc1)CC(OC)OC ZINC000278814801 409094878 /nfs/dbraw/zinc/09/48/78/409094878.db2.gz HXEBZWZZJDLVHT-UHFFFAOYSA-N 0 3 324.421 1.737 20 10 DDCDHN CNC(=O)CN1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000296024452 409403354 /nfs/dbraw/zinc/40/33/54/409403354.db2.gz PSUIYICZIJCUAY-AWEZNQCLSA-N 0 3 303.406 1.180 20 10 DDCDHN COC1CCN(c2ccc(CN(CCO)CCCO)cc2)CC1 ZINC000297580630 409932409 /nfs/dbraw/zinc/93/24/09/409932409.db2.gz STGGNLACGYAKKO-UHFFFAOYSA-N 0 3 322.449 1.479 20 10 DDCDHN CN(C)c1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1F ZINC000367460653 418600724 /nfs/dbraw/zinc/60/07/24/418600724.db2.gz GOQWMIGAHZORFO-MSOLQXFVSA-N 0 3 321.440 1.923 20 10 DDCDHN COc1cc(O)c(CN2CC[C@H](n3cncn3)C2)cc1OC ZINC000375319634 418627452 /nfs/dbraw/zinc/62/74/52/418627452.db2.gz OQRNCMDZPIJGRH-LBPRGKRZSA-N 0 3 304.350 1.448 20 10 DDCDHN CCN1CCC[C@@H]1CNC(=O)NCc1ccc2c(c1)CCN2C ZINC000376907801 418702107 /nfs/dbraw/zinc/70/21/07/418702107.db2.gz NHYKJPYSESAQIO-MRXNPFEDSA-N 0 3 316.449 1.962 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+]C1(CO)Cc3ccccc3C1)OCO2 ZINC000369377249 418732876 /nfs/dbraw/zinc/73/28/76/418732876.db2.gz IGWGRQDQHJIQPM-UHFFFAOYSA-N 0 3 313.353 1.740 20 10 DDCDHN CCn1nc2c(cc1=O)CN(Cc1cccc(OC)c1O)CC2 ZINC000371328612 418779515 /nfs/dbraw/zinc/77/95/15/418779515.db2.gz XIGHDIWGGVYNCK-UHFFFAOYSA-N 0 3 315.373 1.536 20 10 DDCDHN CN(CCN(C)C1CC1)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372447021 418871130 /nfs/dbraw/zinc/87/11/30/418871130.db2.gz OPMCPTVIUAXLGK-UHFFFAOYSA-N 0 3 316.449 1.915 20 10 DDCDHN COCCCN(C)CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000173575569 274019291 /nfs/dbraw/zinc/01/92/91/274019291.db2.gz BCSWSTUSOSFSIM-UHFFFAOYSA-N 0 3 322.453 1.520 20 10 DDCDHN CC[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccccc1[O-] ZINC000274931872 280186997 /nfs/dbraw/zinc/18/69/97/280186997.db2.gz RBGRMQYXEJXTRI-CABCVRRESA-N 0 3 305.422 1.773 20 10 DDCDHN CCS(=O)(=O)NCCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000182441466 521675869 /nfs/dbraw/zinc/67/58/69/521675869.db2.gz KPQXQEYGTXEZDU-NSHDSACASA-N 0 3 316.423 1.381 20 10 DDCDHN CN1CCCc2cc(CNC(=O)CNC[C@@H]3CCCO3)ccc21 ZINC000237128366 523859822 /nfs/dbraw/zinc/85/98/22/523859822.db2.gz VPGBHQNBHKVIKL-INIZCTEOSA-N 0 3 317.433 1.454 20 10 DDCDHN CC(=O)N1CCN(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000284230240 534792972 /nfs/dbraw/zinc/79/29/72/534792972.db2.gz UPKYPWQLJOQRNX-HNNXBMFYSA-N 0 3 319.449 1.824 20 10 DDCDHN C[C@@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000157138350 524985780 /nfs/dbraw/zinc/98/57/80/524985780.db2.gz PGXFOWJBYCYGIW-CZUORRHYSA-N 0 3 305.422 1.607 20 10 DDCDHN COC[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1)OC ZINC000272642438 536630194 /nfs/dbraw/zinc/63/01/94/536630194.db2.gz CXQNUKQYOBHWKC-RHSMWYFYSA-N 0 3 308.422 1.835 20 10 DDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)c1 ZINC000273375922 536792926 /nfs/dbraw/zinc/79/29/26/536792926.db2.gz HFDWIBZIBJVTTE-JSGCOSHPSA-N 0 3 322.405 1.286 20 10 DDCDHN COC(=O)c1ccc([O-])c([C@H](C)NC[C@H](O)C[NH+]2CCCC2)c1 ZINC000273375922 536792930 /nfs/dbraw/zinc/79/29/30/536792930.db2.gz HFDWIBZIBJVTTE-JSGCOSHPSA-N 0 3 322.405 1.286 20 10 DDCDHN COC[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1)OC ZINC000272642445 536854871 /nfs/dbraw/zinc/85/48/71/536854871.db2.gz CXQNUKQYOBHWKC-YOEHRIQHSA-N 0 3 308.422 1.835 20 10 DDCDHN COC[C@H](O)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000117946247 696671902 /nfs/dbraw/zinc/67/19/02/696671902.db2.gz NKOJSTGVGDRHQU-SNVBAGLBSA-N 0 3 320.183 1.260 20 10 DDCDHN COCCN1CCC[C@H]1CNC(=O)c1ccc(C)c(O)c1O ZINC000177681323 697415185 /nfs/dbraw/zinc/41/51/85/697415185.db2.gz VAXQFWMGOXNOHA-LBPRGKRZSA-N 0 3 308.378 1.247 20 10 DDCDHN COc1c([O-])c(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000774877960 697937338 /nfs/dbraw/zinc/93/73/38/697937338.db2.gz NURBKBYXBNCULC-CYBMUJFWSA-N 0 3 321.377 1.978 20 10 DDCDHN COc1c([O-])c(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000774877960 697937339 /nfs/dbraw/zinc/93/73/39/697937339.db2.gz NURBKBYXBNCULC-CYBMUJFWSA-N 0 3 321.377 1.978 20 10 DDCDHN COc1c([O-])c(C[NH2+][C@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000775029050 697955892 /nfs/dbraw/zinc/95/58/92/697955892.db2.gz JIHLFTDLPWOSGS-PWSUYJOCSA-N 0 3 309.366 1.881 20 10 DDCDHN CCCCNC(=O)NC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000775373081 697989848 /nfs/dbraw/zinc/98/98/48/697989848.db2.gz MFCSGSHSCKZWIU-NSHDSACASA-N 0 3 323.393 1.677 20 10 DDCDHN C[C@H](NCC(=O)NC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000775831699 698042339 /nfs/dbraw/zinc/04/23/39/698042339.db2.gz TYLVPHHDTCFTSK-ZDUSSCGKSA-N 0 3 305.422 1.698 20 10 DDCDHN CS(=O)(=O)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000314654537 698691166 /nfs/dbraw/zinc/69/11/66/698691166.db2.gz ZZKIZPFDUAUGIT-ZDUSSCGKSA-N 0 3 310.419 1.393 20 10 DDCDHN COCCO[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000800849755 700248650 /nfs/dbraw/zinc/24/86/50/700248650.db2.gz FGPGVWBTBWXVBU-XJKSGUPXSA-N 0 3 323.389 1.445 20 10 DDCDHN COCCO[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000800849755 700248655 /nfs/dbraw/zinc/24/86/55/700248655.db2.gz FGPGVWBTBWXVBU-XJKSGUPXSA-N 0 3 323.389 1.445 20 10 DDCDHN COCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCOC1 ZINC000782974976 698793185 /nfs/dbraw/zinc/79/31/85/698793185.db2.gz AZCRAUOIGHQPAU-DOMZBBRYSA-N 0 3 309.362 1.055 20 10 DDCDHN COCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H]1CCOC1 ZINC000782974976 698793187 /nfs/dbraw/zinc/79/31/87/698793187.db2.gz AZCRAUOIGHQPAU-DOMZBBRYSA-N 0 3 309.362 1.055 20 10 DDCDHN COCCCn1nccc1CNCc1cc(OC)ccc1O ZINC000801720933 700334367 /nfs/dbraw/zinc/33/43/67/700334367.db2.gz BVJWSCOVAGLREP-UHFFFAOYSA-N 0 3 305.378 1.924 20 10 DDCDHN C[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765596794 701020647 /nfs/dbraw/zinc/02/06/47/701020647.db2.gz YGGRARVFSFVGGK-GXTWGEPZSA-N 0 3 321.396 1.544 20 10 DDCDHN COc1cccc(O)c1CN1CCN(CCOC(C)C)CC1 ZINC000769468598 701246401 /nfs/dbraw/zinc/24/64/01/701246401.db2.gz MXUYWDGGCYFLCA-UHFFFAOYSA-N 0 3 308.422 1.943 20 10 DDCDHN CNC(=O)[C@H](CCSC)NCc1cc2c(cc1O)OCO2 ZINC000808436793 701517987 /nfs/dbraw/zinc/51/79/87/701517987.db2.gz DHZUGKVREYCPRC-JTQLQIEISA-N 0 3 312.391 1.078 20 10 DDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)Cn2ccnn2)c1[O-] ZINC000840804083 702244574 /nfs/dbraw/zinc/24/45/74/702244574.db2.gz ZORHJOVTONVIDP-CMPLNLGQSA-N 0 3 310.785 1.657 20 10 DDCDHN COC(=O)C[C@@]1(NCc2ccc(N(C)C)cc2C)CCOC1 ZINC000840936654 702286660 /nfs/dbraw/zinc/28/66/60/702286660.db2.gz AUUTVQCUWAKAGD-KRWDZBQOSA-N 0 3 306.406 1.873 20 10 DDCDHN CCCN(Cc1cccc(CC)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000848908660 703601932 /nfs/dbraw/zinc/60/19/32/703601932.db2.gz ABJJPZUZIDHVOQ-CQSZACIVSA-N 0 3 304.390 1.924 20 10 DDCDHN C[C@H]1C[N@H+](CCO)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000825338604 705648985 /nfs/dbraw/zinc/64/89/85/705648985.db2.gz QZLJOZMZEIQPQF-JTQLQIEISA-N 0 3 302.777 1.683 20 10 DDCDHN C[C@H]1C[N@@H+](CCO)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000825338604 705648988 /nfs/dbraw/zinc/64/89/88/705648988.db2.gz QZLJOZMZEIQPQF-JTQLQIEISA-N 0 3 302.777 1.683 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@@]1(CO)CCOC1 ZINC000862426523 705715802 /nfs/dbraw/zinc/71/58/02/705715802.db2.gz ICHDJQFZHRVBMM-QGZVFWFLSA-N 0 3 324.396 1.246 20 10 DDCDHN NC(=O)C[C@@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC000862534793 705728042 /nfs/dbraw/zinc/72/80/42/705728042.db2.gz HDRPTOGKWYCNST-CYBMUJFWSA-N 0 3 300.358 1.622 20 10 DDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000876557816 705757805 /nfs/dbraw/zinc/75/78/05/705757805.db2.gz DVVBFRWLHPJTTH-OAHLLOKOSA-N 0 3 318.417 1.771 20 10 DDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000876557816 705757807 /nfs/dbraw/zinc/75/78/07/705757807.db2.gz DVVBFRWLHPJTTH-OAHLLOKOSA-N 0 3 318.417 1.771 20 10 DDCDHN Cc1ccc(CN2CCCC[C@@H]2CNS(C)(=O)=O)c(O)c1 ZINC000876582147 705768784 /nfs/dbraw/zinc/76/87/84/705768784.db2.gz UIPSRGRHFNLRLZ-CQSZACIVSA-N 0 3 312.435 1.604 20 10 DDCDHN CC(C)[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCN1C ZINC000827499232 706014867 /nfs/dbraw/zinc/01/48/67/706014867.db2.gz AQEDHCVHLXNIFT-HZRUHFOJSA-N 0 3 304.390 1.910 20 10 DDCDHN N[C@@H](CC(F)F)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000827567427 706027879 /nfs/dbraw/zinc/02/78/79/706027879.db2.gz KKJJGMUNAQXCPI-ZDUSSCGKSA-N 0 3 313.348 1.122 20 10 DDCDHN CCOc1ccc(CN2CCN(c3nccn3C)CC2)c(O)c1 ZINC000827892179 706082671 /nfs/dbraw/zinc/08/26/71/706082671.db2.gz SSZCTEKVZAOPAO-UHFFFAOYSA-N 0 3 316.405 1.847 20 10 DDCDHN COCC(COC)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877568496 706145309 /nfs/dbraw/zinc/14/53/09/706145309.db2.gz PICFWRLRGASABT-UHFFFAOYSA-N 0 3 308.422 1.399 20 10 DDCDHN C[C@H](O)CN1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835027885 707157901 /nfs/dbraw/zinc/15/79/01/707157901.db2.gz OGQUSSQOSSXBSE-AWFCHZOYSA-N 0 3 303.450 1.764 20 10 DDCDHN CS(=O)(=O)[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000883378674 707987973 /nfs/dbraw/zinc/98/79/73/707987973.db2.gz UTXLCSLMAKHVGB-KOMQPUFPSA-N 0 3 324.446 1.188 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=S)NC2CC2)N(C)C)cc1 ZINC000899724123 709174883 /nfs/dbraw/zinc/17/48/83/709174883.db2.gz KGQREMFAVWACMC-HNNXBMFYSA-N 0 3 306.479 1.982 20 10 DDCDHN CC[C@H](CO)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245437 710139981 /nfs/dbraw/zinc/13/99/81/710139981.db2.gz FCLHBGAVJJNEJJ-CJNGLKHVSA-N 0 3 307.438 1.490 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CCOC2)N(C)C)cc1 ZINC000891246791 710140718 /nfs/dbraw/zinc/14/07/18/710140718.db2.gz DMONCRJQOFHTGB-WMZOPIPTSA-N 0 3 319.449 1.898 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@](C)(O)C2CC2)N(C)C)cc1 ZINC000891249254 710141114 /nfs/dbraw/zinc/14/11/14/710141114.db2.gz PWWCIKCGRQFTDA-AEFFLSMTSA-N 0 3 319.449 1.633 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnco2)N(C)C)cc1 ZINC000891249674 710141852 /nfs/dbraw/zinc/14/18/52/710141852.db2.gz VPDDCHUWISKLGR-AWEZNQCLSA-N 0 3 302.378 1.773 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccn[nH]2)N(C)C)cc1 ZINC000891251653 710141905 /nfs/dbraw/zinc/14/19/05/710141905.db2.gz CZQWGUFQOPIOEO-HNNXBMFYSA-N 0 3 301.394 1.508 20 10 DDCDHN COc1cc(C)cc(CN[C@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000894969884 711344251 /nfs/dbraw/zinc/34/42/51/711344251.db2.gz RURUMAWGAJIVLN-KGLIPLIRSA-N 0 3 304.390 1.952 20 10 DDCDHN COc1cc(CNCC(=O)N(C)OC)c(O)c(C(C)(C)C)c1 ZINC000895045223 711384098 /nfs/dbraw/zinc/38/40/98/711384098.db2.gz DLBFBJKAKJKGTM-UHFFFAOYSA-N 0 3 310.394 1.808 20 10 DDCDHN COC(=O)N[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000895850248 711624834 /nfs/dbraw/zinc/62/48/34/711624834.db2.gz FETXOZVKJPCCQG-HNNXBMFYSA-N 0 3 319.405 1.454 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922950552 714195262 /nfs/dbraw/zinc/19/52/62/714195262.db2.gz NFPMZKNMJFMWPA-AWEZNQCLSA-N 0 3 306.406 1.744 20 10 DDCDHN C[C@@H]1CC[C@H](O)CN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001119519483 781493081 /nfs/dbraw/zinc/49/30/81/781493081.db2.gz MVWPHTDRXHGDEJ-ZBFHGGJFSA-N 0 3 321.440 1.923 20 10 DDCDHN COc1cc([O-])c(CN2C[C@H]3C[C@@]3([NH3+])C2)cc1Br ZINC001236021343 846518672 /nfs/dbraw/zinc/51/86/72/846518672.db2.gz BHKILWKHCFGZOG-NOZJJQNGSA-N 0 3 313.195 1.696 20 10 DDCDHN CN(C)c1ccc(CN2CCOC[C@]3(CC(=O)N(C)C3)C2)cc1 ZINC001272916310 847625942 /nfs/dbraw/zinc/62/59/42/847625942.db2.gz DSOTUIGJAXDELK-SFHVURJKSA-N 0 3 317.433 1.433 20 10 DDCDHN CN(C)C(=O)CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001275266940 852940782 /nfs/dbraw/zinc/94/07/82/852940782.db2.gz GRIYUWIYPOEQGJ-GJZGRUSLSA-N 0 3 303.406 1.129 20 10 DDCDHN CN(C)C(=O)CN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001275266940 852940786 /nfs/dbraw/zinc/94/07/86/852940786.db2.gz GRIYUWIYPOEQGJ-GJZGRUSLSA-N 0 3 303.406 1.129 20 10 DDCDHN Oc1cc2c(cc1O)CN(c1ncc3c(n1)CCNC3)CCC2 ZINC001155933408 862572471 /nfs/dbraw/zinc/57/24/71/862572471.db2.gz SLZNUEPMAIQUNL-UHFFFAOYSA-N 0 3 312.373 1.486 20 10 DDCDHN CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)ccc2[O-])O1 ZINC001140062836 860568226 /nfs/dbraw/zinc/56/82/26/860568226.db2.gz GDEQPJWUJPNEJU-BPLDGKMQSA-N 0 3 308.353 1.351 20 10 DDCDHN CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)ccc2[O-])O1 ZINC001140062836 860568230 /nfs/dbraw/zinc/56/82/30/860568230.db2.gz GDEQPJWUJPNEJU-BPLDGKMQSA-N 0 3 308.353 1.351 20 10 DDCDHN CCN1CCN(c2ccc(CN3CCO[C@@H](CO)C3)cc2)CC1 ZINC001140302009 860614707 /nfs/dbraw/zinc/61/47/07/860614707.db2.gz HFJHBGKTZCDZPL-GOSISDBHSA-N 0 3 319.449 1.022 20 10 DDCDHN NC(=O)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140662403 860671025 /nfs/dbraw/zinc/67/10/25/860671025.db2.gz SACMQIBTFKCRBP-CQSZACIVSA-N 0 3 321.396 1.360 20 10 DDCDHN Cc1cnc(O[C@H]2CCN(Cc3cc(O)ccc3O)C2)nc1 ZINC001141163119 860799063 /nfs/dbraw/zinc/79/90/63/860799063.db2.gz PVBZYLLCEVBSFC-AWEZNQCLSA-N 0 3 301.346 1.850 20 10 DDCDHN COc1cnc(O[C@H]2CCN(Cc3cc(O)ccc3O)C2)nc1 ZINC001141163123 860799283 /nfs/dbraw/zinc/79/92/83/860799283.db2.gz PYJUDYAMCJZRQO-ZDUSSCGKSA-N 0 3 317.345 1.550 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC4(COC4)C3)cc2F)CC1 ZINC001330408804 864319291 /nfs/dbraw/zinc/31/92/91/864319291.db2.gz BIKCHCFIQMQGFE-UHFFFAOYSA-N 0 3 319.424 1.800 20 10 DDCDHN CCC1=NC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)C(=O)N1C ZINC001204277347 871036195 /nfs/dbraw/zinc/03/61/95/871036195.db2.gz AVXYEBLGWLKSPP-UHFFFAOYSA-N 0 3 317.389 1.713 20 10 DDCDHN CCOC(=O)c1c(CN2C[C@@H](F)[C@@H](N)C2)c2ccccc2n1C ZINC001204837092 871253544 /nfs/dbraw/zinc/25/35/44/871253544.db2.gz QJASPDFOXQNXOX-KGLIPLIRSA-N 0 3 319.380 1.836 20 10 DDCDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCc2cccc(O)c2O)C1 ZINC001348047188 874343479 /nfs/dbraw/zinc/34/34/79/874343479.db2.gz MQQKHLLJLAPWEX-INIZCTEOSA-N 0 3 310.369 1.927 20 10 DDCDHN COC(=O)[C@H]1[C@@H]2CN(Cc3ccc(OC)c(OC)c3O)C[C@@H]21 ZINC001352065519 876581645 /nfs/dbraw/zinc/58/16/45/876581645.db2.gz UBRJXFHCAYKDJB-PJXYFTJBSA-N 0 3 307.346 1.260 20 10 DDCDHN CN(C)c1ccc(CN2CCN(c3cccnn3)CC2)c(O)c1 ZINC001232838141 886624276 /nfs/dbraw/zinc/62/42/76/886624276.db2.gz AXNLFELTVZALET-UHFFFAOYSA-N 0 3 313.405 1.570 20 10 DDCDHN CCOC(=O)[C@]12C[N@H+](Cc3cccc(F)c3[O-])C[C@H]1CNCC2 ZINC001236038443 889075313 /nfs/dbraw/zinc/07/53/13/889075313.db2.gz JFTPMTPLSYHNBS-CXAGYDPISA-N 0 3 322.380 1.506 20 10 DDCDHN CCOC(=O)[C@]12C[N@@H+](Cc3cccc(F)c3[O-])C[C@H]1CNCC2 ZINC001236038443 889075328 /nfs/dbraw/zinc/07/53/28/889075328.db2.gz JFTPMTPLSYHNBS-CXAGYDPISA-N 0 3 322.380 1.506 20 10 DDCDHN COCCOc1ccc(N2CCN(CCCCCO)CC2)cc1 ZINC001236157805 889120939 /nfs/dbraw/zinc/12/09/39/889120939.db2.gz JZJUICZSSQBJDI-UHFFFAOYSA-N 0 3 322.449 1.996 20 10 DDCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c([O-])c1 ZINC001236813433 889369666 /nfs/dbraw/zinc/36/96/66/889369666.db2.gz KPHWEWUNHPGSER-AWEZNQCLSA-N 0 3 306.406 1.616 20 10 DDCDHN COc1cc(C)c(C[N@H+]2CC[C@H](N3CCOCC3)C2)c([O-])c1 ZINC001236813433 889369676 /nfs/dbraw/zinc/36/96/76/889369676.db2.gz KPHWEWUNHPGSER-AWEZNQCLSA-N 0 3 306.406 1.616 20 10 DDCDHN Cc1ccc(C)c(CN2C[C@@H]3C(C(=O)N(C)C)=NO[C@@H]3C2)c1O ZINC001278358132 891595800 /nfs/dbraw/zinc/59/58/00/891595800.db2.gz QRRQHVWHTHJSHR-UONOGXRCSA-N 0 3 317.389 1.284 20 10 DDCDHN CC(C)S(=O)(=O)NC1CCN(Cc2ccccc2O)CC1 ZINC001252589486 895293236 /nfs/dbraw/zinc/29/32/36/895293236.db2.gz IYWATUVUURAAIG-UHFFFAOYSA-N 0 3 312.435 1.684 20 10 DDCDHN CN(C)c1ccc(CN(C)C[C@H](O)C(=O)OC(C)(C)C)cc1 ZINC001253687268 895996197 /nfs/dbraw/zinc/99/61/97/895996197.db2.gz ANBGDIYMEMJPNL-HNNXBMFYSA-N 0 3 308.422 1.887 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000296481799 222824118 /nfs/dbraw/zinc/82/41/18/222824118.db2.gz OHHFNIGBFOPEQQ-STQMWFEESA-N 0 3 314.451 1.987 20 10 DDCDHN CCCOc1ccc(CN2C[C@H]3OCCN(C)[C@H]3C2)c(O)c1 ZINC000093642173 407199976 /nfs/dbraw/zinc/19/99/76/407199976.db2.gz FFPTWIPCNWFWKZ-DOTOQJQBSA-N 0 3 306.406 1.696 20 10 DDCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000093664465 407200357 /nfs/dbraw/zinc/20/03/57/407200357.db2.gz PZRZIWJLQZOQFZ-HNNXBMFYSA-N 0 3 320.433 1.945 20 10 DDCDHN CCOc1cccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000093664465 407200359 /nfs/dbraw/zinc/20/03/59/407200359.db2.gz PZRZIWJLQZOQFZ-HNNXBMFYSA-N 0 3 320.433 1.945 20 10 DDCDHN COC(=O)C[C@H]1CSCCN1Cc1cccc(OC)c1O ZINC000271206539 407573516 /nfs/dbraw/zinc/57/35/16/407573516.db2.gz RWSJTESNZLVWKT-LBPRGKRZSA-N 0 3 311.403 1.881 20 10 DDCDHN O=C([C@@H]1CCCCN1Cc1ccccc1O)N1CCOCC1 ZINC000179569135 407806293 /nfs/dbraw/zinc/80/62/93/407806293.db2.gz IANYUSNNXQKAIV-HNNXBMFYSA-N 0 3 304.390 1.606 20 10 DDCDHN C[C@@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)N(C)C ZINC000264616913 408542923 /nfs/dbraw/zinc/54/29/23/408542923.db2.gz IJTARLXPDLFVQF-PPYMECGQSA-N 0 3 317.433 1.603 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN(C)C[C@@H]2CCOC2)cc1 ZINC000178356958 408811007 /nfs/dbraw/zinc/81/10/07/408811007.db2.gz HBTNDJDOLRHVBX-INIZCTEOSA-N 0 3 319.449 1.679 20 10 DDCDHN CC(C)(C)N1CC[C@](F)(C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000291287663 408864006 /nfs/dbraw/zinc/86/40/06/408864006.db2.gz MRUGKMXWLGLJIA-QGZVFWFLSA-N 0 3 324.396 1.969 20 10 DDCDHN COC[C@H](CO)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000280969332 408866919 /nfs/dbraw/zinc/86/69/19/408866919.db2.gz LECGSBCVGOPIMB-OCCSQVGLSA-N 0 3 312.385 1.320 20 10 DDCDHN C[C@H]1C[N@H+](CCCNC(=O)c2cccc(O)c2[O-])CCCO1 ZINC000277734065 409000847 /nfs/dbraw/zinc/00/08/47/409000847.db2.gz XSGHKRGFINXDLQ-LBPRGKRZSA-N 0 3 308.378 1.329 20 10 DDCDHN C[C@H]1C[N@@H+](CCCNC(=O)c2cccc(O)c2[O-])CCCO1 ZINC000277734065 409000849 /nfs/dbraw/zinc/00/08/49/409000849.db2.gz XSGHKRGFINXDLQ-LBPRGKRZSA-N 0 3 308.378 1.329 20 10 DDCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN1C1CC1 ZINC000280360598 409299513 /nfs/dbraw/zinc/29/95/13/409299513.db2.gz VJAMKNDOWYFGHJ-BXUZGUMPSA-N 0 3 304.390 1.772 20 10 DDCDHN CCN(CC)c1ccc(CN2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000367488979 418605152 /nfs/dbraw/zinc/60/51/52/418605152.db2.gz HMRDAOBHWYVYGP-QGZVFWFLSA-N 0 3 305.422 1.345 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+]CC1(O)Cc3ccccc3C1)OCO2 ZINC000377777762 418714998 /nfs/dbraw/zinc/71/49/98/418714998.db2.gz WEGKNKSMJDBAEK-UHFFFAOYSA-N 0 3 313.353 1.740 20 10 DDCDHN Cc1cccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c1[O-] ZINC000375519070 418654354 /nfs/dbraw/zinc/65/43/54/418654354.db2.gz MNZIJAJELIYBBQ-CABCVRRESA-N 0 3 314.389 1.135 20 10 DDCDHN Cc1cccc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c1[O-] ZINC000375519070 418654358 /nfs/dbraw/zinc/65/43/58/418654358.db2.gz MNZIJAJELIYBBQ-CABCVRRESA-N 0 3 314.389 1.135 20 10 DDCDHN CCOc1cccc(CN2CCCN(CC(=O)NC)CC2)c1O ZINC000378352456 418721085 /nfs/dbraw/zinc/72/10/85/418721085.db2.gz USAPVJBHRLCHST-UHFFFAOYSA-N 0 3 321.421 1.045 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@]1(F)CCNC1 ZINC000361956843 418730137 /nfs/dbraw/zinc/73/01/37/418730137.db2.gz MZQGWLTTZMTDBZ-QGZVFWFLSA-N 0 3 321.396 1.183 20 10 DDCDHN CNC(=O)NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298794636 277235325 /nfs/dbraw/zinc/23/53/25/277235325.db2.gz UOGJOPPIKFFKGH-UHFFFAOYSA-N 0 3 306.410 1.419 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2COCCN2)c1[O-] ZINC000530180644 340781956 /nfs/dbraw/zinc/78/19/56/340781956.db2.gz BDDZMCMBWFJONN-GFCCVEGCSA-N 0 3 315.211 1.541 20 10 DDCDHN CC(C)NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000160903309 519708963 /nfs/dbraw/zinc/70/89/63/519708963.db2.gz CNHGMJZQPPOIGK-CQSZACIVSA-N 0 3 305.422 1.698 20 10 DDCDHN C[C@H](CC(N)=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000267270955 524085270 /nfs/dbraw/zinc/08/52/70/524085270.db2.gz SEFSJXDKBFYDOW-LLVKDONJSA-N 0 3 309.385 1.140 20 10 DDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCCN1 ZINC000238061382 526683772 /nfs/dbraw/zinc/68/37/72/526683772.db2.gz BPZQTQYMBWJSGY-MRXNPFEDSA-N 0 3 303.406 1.282 20 10 DDCDHN COc1cc(O)c(CN2CCC(NC(C)=O)CC2)cc1OC ZINC000160043702 697314719 /nfs/dbraw/zinc/31/47/19/697314719.db2.gz FPRRUBGHQNTGBH-UHFFFAOYSA-N 0 3 308.378 1.510 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cc(C)on2)c1 ZINC000182361355 697473926 /nfs/dbraw/zinc/47/39/26/697473926.db2.gz ZMTILZILEOORQO-SNVBAGLBSA-N 0 3 305.334 1.987 20 10 DDCDHN COc1c([O-])c(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000774877961 697937453 /nfs/dbraw/zinc/93/74/53/697937453.db2.gz NURBKBYXBNCULC-ZDUSSCGKSA-N 0 3 321.377 1.978 20 10 DDCDHN COc1c([O-])c(CN(C)[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000774877961 697937455 /nfs/dbraw/zinc/93/74/55/697937455.db2.gz NURBKBYXBNCULC-ZDUSSCGKSA-N 0 3 321.377 1.978 20 10 DDCDHN C[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccc(N(C)C)cc1 ZINC000775406957 697993519 /nfs/dbraw/zinc/99/35/19/697993519.db2.gz QMRGNJOSPCFHQB-RHSMWYFYSA-N 0 3 316.449 1.320 20 10 DDCDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CC1)OCCO3)[C@H](O)CO2 ZINC000768442418 701176818 /nfs/dbraw/zinc/17/68/18/701176818.db2.gz VCMMAIMDJUTVJU-CQSZACIVSA-N 0 3 307.346 1.157 20 10 DDCDHN CC(=O)NCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768441718 701176962 /nfs/dbraw/zinc/17/69/62/701176962.db2.gz GSDHXXZBXOJSEH-MRXNPFEDSA-N 0 3 320.389 1.166 20 10 DDCDHN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[N@@H+]1CCO ZINC000816574571 702116761 /nfs/dbraw/zinc/11/67/61/702116761.db2.gz MKQOIRAJAPYGED-SNVBAGLBSA-N 0 3 302.777 1.683 20 10 DDCDHN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[N@H+]1CCO ZINC000816574571 702116764 /nfs/dbraw/zinc/11/67/64/702116764.db2.gz MKQOIRAJAPYGED-SNVBAGLBSA-N 0 3 302.777 1.683 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@@H](N)C3CCC3)CC2)cc1F ZINC000831146031 706643963 /nfs/dbraw/zinc/64/39/63/706643963.db2.gz BCDPPQBJKDEYHB-INIZCTEOSA-N 0 3 321.396 1.610 20 10 DDCDHN O=C1OC[C@@]2(C[NH2+][C@H]3CCc4cccc([O-])c43)COCCN12 ZINC000866521299 706720518 /nfs/dbraw/zinc/72/05/18/706720518.db2.gz LLMLDDAUSYCDBM-BLLLJJGKSA-N 0 3 304.346 1.190 20 10 DDCDHN CC[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(C)cc1[O-] ZINC000850510965 703734629 /nfs/dbraw/zinc/73/46/29/703734629.db2.gz YTGUCVNLFKLFNT-NVXWUHKLSA-N 0 3 309.406 1.909 20 10 DDCDHN CN(C)CCN(Cc1ccccn1)C(=O)Cc1ccc(N)cc1 ZINC000831915950 706801974 /nfs/dbraw/zinc/80/19/74/706801974.db2.gz BCVDGZKFJOFVMF-UHFFFAOYSA-N 0 3 312.417 1.797 20 10 DDCDHN CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000853583685 704275637 /nfs/dbraw/zinc/27/56/37/704275637.db2.gz VNLOPRJXSPBFAH-GFCCVEGCSA-N 0 3 321.377 1.309 20 10 DDCDHN COCCN1CCC[C@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875264884 705335285 /nfs/dbraw/zinc/33/52/85/705335285.db2.gz BFNLGICXIFHBHA-AWEZNQCLSA-N 0 3 319.405 1.528 20 10 DDCDHN O=C1NC(=O)[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C[C@H]12 ZINC000824893116 705553009 /nfs/dbraw/zinc/55/30/09/705553009.db2.gz KQHFDZZWMPVLSA-IYBDPMFKSA-N 0 3 322.364 1.764 20 10 DDCDHN O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C[C@H]12 ZINC000824893116 705553015 /nfs/dbraw/zinc/55/30/15/705553015.db2.gz KQHFDZZWMPVLSA-IYBDPMFKSA-N 0 3 322.364 1.764 20 10 DDCDHN COc1cc(C)cc(CNCCS(=O)(=O)CC2CC2)c1O ZINC000894352453 711082223 /nfs/dbraw/zinc/08/22/23/711082223.db2.gz UXUVGKWNDAAYLC-UHFFFAOYSA-N 0 3 313.419 1.624 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)CCC(=O)OC)cc1 ZINC000827340520 705981181 /nfs/dbraw/zinc/98/11/81/705981181.db2.gz FADJFNCFGVHFBI-HNNXBMFYSA-N 0 3 321.421 1.430 20 10 DDCDHN [O-]c1ccccc1C[N@H+](CCn1cnnn1)C[C@H]1CCCO1 ZINC000878240618 706335786 /nfs/dbraw/zinc/33/57/86/706335786.db2.gz JTNWHWIICPTRJE-CQSZACIVSA-N 0 3 303.366 1.060 20 10 DDCDHN [O-]c1ccccc1C[N@@H+](CCn1cnnn1)C[C@H]1CCCO1 ZINC000878240618 706335789 /nfs/dbraw/zinc/33/57/89/706335789.db2.gz JTNWHWIICPTRJE-CQSZACIVSA-N 0 3 303.366 1.060 20 10 DDCDHN NC(C(=O)NCc1c(O)ccc2c1CCCC2)C(F)(F)F ZINC000830597598 706541145 /nfs/dbraw/zinc/54/11/45/706541145.db2.gz PQXVAWDZDOINAX-GFCCVEGCSA-N 0 3 302.296 1.777 20 10 DDCDHN CC[C@](C)(N)c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1 ZINC000880995528 707104845 /nfs/dbraw/zinc/10/48/45/707104845.db2.gz ABCCPVZOEYBWQE-HNNXBMFYSA-N 0 3 306.341 1.958 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000927022579 712931574 /nfs/dbraw/zinc/93/15/74/712931574.db2.gz FRBFIUCEGURXIV-WCABBAIRSA-N 0 3 317.382 1.075 20 10 DDCDHN O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3ccccc3[O-])C2)c1Cl ZINC000898364838 708624248 /nfs/dbraw/zinc/62/42/48/708624248.db2.gz QLWOSIIMVYCYJX-NSHDSACASA-N 0 3 320.780 1.910 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)CC2(C)COC2)N(C)C)cc1 ZINC000891243921 710139581 /nfs/dbraw/zinc/13/95/81/710139581.db2.gz VYRAANOOKUCAQN-MRXNPFEDSA-N 0 3 319.449 1.898 20 10 DDCDHN CC1=NO[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891248414 710141267 /nfs/dbraw/zinc/14/12/67/710141267.db2.gz MJSMGGQKLYPLKT-JKSUJKDBSA-N 0 3 318.421 1.636 20 10 DDCDHN C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248701 710141331 /nfs/dbraw/zinc/14/13/31/710141331.db2.gz NBZKZSFTJXBRSD-JQFCIGGWSA-N 0 3 319.449 1.897 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2(O)CCCC2)N(C)C)cc1 ZINC000891250618 710141738 /nfs/dbraw/zinc/14/17/38/710141738.db2.gz AYVCBQAAIPHFOF-MRXNPFEDSA-N 0 3 319.449 1.777 20 10 DDCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000902420375 710748511 /nfs/dbraw/zinc/74/85/11/710748511.db2.gz LXAXUAPDGDSSAV-IINYFYTJSA-N 0 3 307.346 1.203 20 10 DDCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000902420375 710748513 /nfs/dbraw/zinc/74/85/13/710748513.db2.gz LXAXUAPDGDSSAV-IINYFYTJSA-N 0 3 307.346 1.203 20 10 DDCDHN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCCN2CCO)cc1 ZINC001028339861 739376964 /nfs/dbraw/zinc/37/69/64/739376964.db2.gz DZZKBPKVHCVZQJ-CYBMUJFWSA-N 0 3 319.365 1.036 20 10 DDCDHN O=c1cc2[nH]c(NCCc3cc(O)c(O)cc3O)ccc-2[nH]1 ZINC001168005611 740534951 /nfs/dbraw/zinc/53/49/51/740534951.db2.gz LAZVNCNMXGHAOC-UHFFFAOYSA-N 0 3 301.302 1.348 20 10 DDCDHN O=C(COC1CC[NH+](Cc2ccccc2[O-])CC1)N1CCCC1 ZINC001203563243 743813779 /nfs/dbraw/zinc/81/37/79/743813779.db2.gz XBERCRHHMNRNAG-UHFFFAOYSA-N 0 3 318.417 1.996 20 10 DDCDHN CCOc1cccc(CN2CC(N3CCN(C)CC3)C2)c1O ZINC001203615700 744209412 /nfs/dbraw/zinc/20/94/12/744209412.db2.gz XLALOIANBDSTRI-UHFFFAOYSA-N 0 3 305.422 1.223 20 10 DDCDHN COc1cc(C(=O)N2C[C@@H]3CCCN(C)[C@@H]3C2)cc(O)c1O ZINC001193096897 745988271 /nfs/dbraw/zinc/98/82/71/745988271.db2.gz CVBLYBNSHGEZLC-CMPLNLGQSA-N 0 3 306.362 1.273 20 10 DDCDHN COc1cc(C(=O)N2C[C@H]3CCCN(C)[C@H]3C2)cc(O)c1O ZINC001193096899 745988381 /nfs/dbraw/zinc/98/83/81/745988381.db2.gz CVBLYBNSHGEZLC-PWSUYJOCSA-N 0 3 306.362 1.273 20 10 DDCDHN C[NH+](C)CC1CCC(NC(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148591092 773542771 /nfs/dbraw/zinc/54/27/71/773542771.db2.gz UIWUNFCRATYEAM-UHFFFAOYSA-N 0 3 308.378 1.654 20 10 DDCDHN Oc1ccccc1CN1C[C@@H]2[C@H](C1)OCCN2Cc1cn[nH]c1 ZINC001275267031 852941027 /nfs/dbraw/zinc/94/10/27/852941027.db2.gz JLPFEPBADYGZMZ-WBVHZDCISA-N 0 3 314.389 1.201 20 10 DDCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1cn[nH]c1 ZINC001275267031 852941030 /nfs/dbraw/zinc/94/10/30/852941030.db2.gz JLPFEPBADYGZMZ-WBVHZDCISA-N 0 3 314.389 1.201 20 10 DDCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1cn[nH]c1 ZINC001275267031 852941035 /nfs/dbraw/zinc/94/10/35/852941035.db2.gz JLPFEPBADYGZMZ-WBVHZDCISA-N 0 3 314.389 1.201 20 10 DDCDHN COCCOCN1CC2(C1)CN(Cc1c(C)cc(C)cc1O)C2 ZINC001276365217 856045709 /nfs/dbraw/zinc/04/57/09/856045709.db2.gz MDFABFYPEPRFFH-UHFFFAOYSA-N 0 3 320.433 1.747 20 10 DDCDHN O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2[O-])N1 ZINC001203561690 870643581 /nfs/dbraw/zinc/64/35/81/870643581.db2.gz YATCDZFVBDXHLH-HBBFGDNQSA-N 0 3 301.346 1.097 20 10 DDCDHN O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2[O-])N1 ZINC001203561690 870643590 /nfs/dbraw/zinc/64/35/90/870643590.db2.gz YATCDZFVBDXHLH-HBBFGDNQSA-N 0 3 301.346 1.097 20 10 DDCDHN COc1cccc(CN2CCN(CCC(C)(C)O)CC2)c1O ZINC001203601561 870662889 /nfs/dbraw/zinc/66/28/89/870662889.db2.gz ADTGSUNHTBXANB-UHFFFAOYSA-N 0 3 308.422 1.679 20 10 DDCDHN COc1ccc(CN2CCC[C@@H](NC(=O)C3CC3)C2)c(O)c1 ZINC001203635133 870689484 /nfs/dbraw/zinc/68/94/84/870689484.db2.gz KZMNZFACTHLIIZ-CQSZACIVSA-N 0 3 304.390 1.891 20 10 DDCDHN O=C([C@H]1CC12CN(Cc1ccccc1O)C2)N1CCCCO1 ZINC001277446089 884338884 /nfs/dbraw/zinc/33/88/84/884338884.db2.gz MFCGTHMVYLPXDJ-CQSZACIVSA-N 0 3 302.374 1.768 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CCN(CC(C)(C)O)CC1 ZINC001231856593 885910771 /nfs/dbraw/zinc/91/07/71/885910771.db2.gz NWFQXHAODVAADN-UHFFFAOYSA-N 0 3 321.465 1.650 20 10 DDCDHN CN(C)C(=O)[C@H]1CC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001233484515 887014362 /nfs/dbraw/zinc/01/43/62/887014362.db2.gz NGELMYZGZJLMMS-GFCCVEGCSA-N 0 3 320.389 1.494 20 10 DDCDHN Oc1cc(O)c(CN2CC[C@H](Oc3ccncc3)C2)cc1O ZINC001233486625 887021945 /nfs/dbraw/zinc/02/19/45/887021945.db2.gz VHEMSVICUUCCHG-ZDUSSCGKSA-N 0 3 302.330 1.852 20 10 DDCDHN Oc1cc(OCC(F)(F)F)ccc1CN1CCOC[C@H](O)C1 ZINC001237053243 889484067 /nfs/dbraw/zinc/48/40/67/889484067.db2.gz IJUVRTIKUIYVFI-LLVKDONJSA-N 0 3 321.295 1.526 20 10 DDCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001237488231 889664881 /nfs/dbraw/zinc/66/48/81/889664881.db2.gz SKJSXZKEYIQDGU-UHFFFAOYSA-N 0 3 302.374 1.719 20 10 DDCDHN COC(=O)[C@@H]1C[C@@H](NCc2ccc(N3CCCC3)cc2)CN1 ZINC001246178589 892464909 /nfs/dbraw/zinc/46/49/09/892464909.db2.gz YMRHIKDPNBEKGB-ZBFHGGJFSA-N 0 3 303.406 1.280 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001249173025 893851716 /nfs/dbraw/zinc/85/17/16/893851716.db2.gz QAUJFPFNIYCPQL-KBPBESRZSA-N 0 3 311.353 1.403 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001249173025 893851736 /nfs/dbraw/zinc/85/17/36/893851736.db2.gz QAUJFPFNIYCPQL-KBPBESRZSA-N 0 3 311.353 1.403 20 10 DDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000289233072 131367554 /nfs/dbraw/zinc/36/75/54/131367554.db2.gz DFIMXXBYRXTYLO-CYBMUJFWSA-N 0 3 322.302 1.884 20 10 DDCDHN CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C1 ZINC000186109623 407577255 /nfs/dbraw/zinc/57/72/55/407577255.db2.gz WYWTXATZNCMLAV-RYUDHWBXSA-N 0 3 307.394 1.855 20 10 DDCDHN C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000271715214 407728864 /nfs/dbraw/zinc/72/88/64/407728864.db2.gz WNVYXHLQWNHHPW-IUODEOHRSA-N 0 3 314.389 1.972 20 10 DDCDHN COc1ccc([O-])c(C[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c1 ZINC000237204575 407802609 /nfs/dbraw/zinc/80/26/09/407802609.db2.gz OXBXEMYMYVCZTA-QGZVFWFLSA-N 0 3 321.465 1.762 20 10 DDCDHN CN(C)c1ccc(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000173227183 407871025 /nfs/dbraw/zinc/87/10/25/407871025.db2.gz OZORKTMXIQNWCQ-QGZVFWFLSA-N 0 3 314.433 1.908 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN(C)C[C@H]2CCCOC2)cc1 ZINC000174147347 407917213 /nfs/dbraw/zinc/91/72/13/407917213.db2.gz NXKMZYRUDRSIGT-MRXNPFEDSA-N 0 3 319.449 1.727 20 10 DDCDHN CCOc1ccc(O)c(CN2CCCN(CC(=O)OC)CC2)c1 ZINC000121421383 408206905 /nfs/dbraw/zinc/20/69/05/408206905.db2.gz STQJJINXARTXDP-UHFFFAOYSA-N 0 3 322.405 1.472 20 10 DDCDHN CCOCc1cc(CN[C@H]2C(=O)NCC[C@H]2C)ccc1OC ZINC000193684190 408736421 /nfs/dbraw/zinc/73/64/21/408736421.db2.gz FSJFEQYWVGBUSS-MLGOLLRUSA-N 0 3 306.406 1.846 20 10 DDCDHN C[C@@H](N)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000166291865 408815764 /nfs/dbraw/zinc/81/57/64/408815764.db2.gz NKOUUVQOBIRYKH-SNVBAGLBSA-N 0 3 313.348 1.720 20 10 DDCDHN COC[C@@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000280969325 408867672 /nfs/dbraw/zinc/86/76/72/408867672.db2.gz LECGSBCVGOPIMB-GXTWGEPZSA-N 0 3 312.385 1.320 20 10 DDCDHN CC[N@H+](CCOCCO)Cc1cc(Cl)cc(OC)c1[O-] ZINC000282714627 409062323 /nfs/dbraw/zinc/06/23/23/409062323.db2.gz KXUQETQCSHZCBP-UHFFFAOYSA-N 0 3 303.786 1.885 20 10 DDCDHN CC[N@@H+](CCOCCO)Cc1cc(Cl)cc(OC)c1[O-] ZINC000282714627 409062324 /nfs/dbraw/zinc/06/23/24/409062324.db2.gz KXUQETQCSHZCBP-UHFFFAOYSA-N 0 3 303.786 1.885 20 10 DDCDHN COCCO[C@@H]1C[C@H](CO)CN(Cc2ccc(N(C)C)cc2)C1 ZINC000278789546 409089322 /nfs/dbraw/zinc/08/93/22/409089322.db2.gz WMTXFNBXHQBXCP-FUHWJXTLSA-N 0 3 322.449 1.598 20 10 DDCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289759189 409285328 /nfs/dbraw/zinc/28/53/28/409285328.db2.gz QXLJCBILMIFVRM-CXAGYDPISA-N 0 3 317.389 1.653 20 10 DDCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289759189 409285331 /nfs/dbraw/zinc/28/53/31/409285331.db2.gz QXLJCBILMIFVRM-CXAGYDPISA-N 0 3 317.389 1.653 20 10 DDCDHN CCOc1ccc(O)c(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000371324828 418779557 /nfs/dbraw/zinc/77/95/57/418779557.db2.gz AUUUQRGHMPFLNB-SJLPKXTDSA-N 0 3 320.433 1.822 20 10 DDCDHN CC[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N(C)C ZINC000124611772 521805778 /nfs/dbraw/zinc/80/57/78/521805778.db2.gz OPLFVAXJAAPNMA-KRWDZBQOSA-N 0 3 319.449 1.822 20 10 DDCDHN COCCOC[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000266462487 524022080 /nfs/dbraw/zinc/02/20/80/524022080.db2.gz QUHIQBFADDOIMY-GFCCVEGCSA-N 0 3 309.362 1.606 20 10 DDCDHN COCCOC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000266462487 524022082 /nfs/dbraw/zinc/02/20/82/524022082.db2.gz QUHIQBFADDOIMY-GFCCVEGCSA-N 0 3 309.362 1.606 20 10 DDCDHN Cc1cccc(CN2CCCC[C@H]2C(=O)N2CCOCC2)c1O ZINC000180029130 524391334 /nfs/dbraw/zinc/39/13/34/524391334.db2.gz ZHNIXVPZBOCLFL-INIZCTEOSA-N 0 3 318.417 1.914 20 10 DDCDHN COc1ccc(O)c(CN(CCO)CCOCC(F)(F)F)c1 ZINC000180184860 524739352 /nfs/dbraw/zinc/73/93/52/524739352.db2.gz AKJOQALKULGQQU-UHFFFAOYSA-N 0 3 323.311 1.774 20 10 DDCDHN Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c([O-])c1O ZINC000182842669 526159801 /nfs/dbraw/zinc/15/98/01/526159801.db2.gz LJFIDOMMJIDJPF-ZDUSSCGKSA-N 0 3 322.405 1.373 20 10 DDCDHN Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c([O-])c1O ZINC000182842669 526159811 /nfs/dbraw/zinc/15/98/11/526159811.db2.gz LJFIDOMMJIDJPF-ZDUSSCGKSA-N 0 3 322.405 1.373 20 10 DDCDHN CCCN(CC(=O)N1CCO[C@@H](C)C1)Cc1ccccc1O ZINC000068973705 696378935 /nfs/dbraw/zinc/37/89/35/696378935.db2.gz FHURLUCLJUGOAM-AWEZNQCLSA-N 0 3 306.406 1.852 20 10 DDCDHN COCCCOCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000773271902 697736846 /nfs/dbraw/zinc/73/68/46/697736846.db2.gz OQAYVIOVQWFHPT-OAHLLOKOSA-N 0 3 311.378 1.303 20 10 DDCDHN COCCCOCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000773271902 697736850 /nfs/dbraw/zinc/73/68/50/697736850.db2.gz OQAYVIOVQWFHPT-OAHLLOKOSA-N 0 3 311.378 1.303 20 10 DDCDHN COCCN1CCC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779514758 698429444 /nfs/dbraw/zinc/42/94/44/698429444.db2.gz MOGBHMOJTDPVOS-VSKVDJIOSA-N 0 3 320.389 1.338 20 10 DDCDHN COCC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCOC1 ZINC000782974978 698793036 /nfs/dbraw/zinc/79/30/36/698793036.db2.gz AZCRAUOIGHQPAU-SWLSCSKDSA-N 0 3 309.362 1.055 20 10 DDCDHN COCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H]1CCOC1 ZINC000782974978 698793038 /nfs/dbraw/zinc/79/30/38/698793038.db2.gz AZCRAUOIGHQPAU-SWLSCSKDSA-N 0 3 309.362 1.055 20 10 DDCDHN C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccccc1[O-] ZINC000783504649 698845624 /nfs/dbraw/zinc/84/56/24/698845624.db2.gz IGPLXIVTSFMQNT-NSHDSACASA-N 0 3 300.424 1.761 20 10 DDCDHN CC(=O)NC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768440109 701176838 /nfs/dbraw/zinc/17/68/38/701176838.db2.gz NZBAWVSOEHULIZ-MLGOLLRUSA-N 0 3 320.389 1.166 20 10 DDCDHN CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768440109 701176839 /nfs/dbraw/zinc/17/68/39/701176839.db2.gz NZBAWVSOEHULIZ-MLGOLLRUSA-N 0 3 320.389 1.166 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+](C[C@H]1CCOC1)C1CC1)[C@H](O)CO2 ZINC000768440204 701177039 /nfs/dbraw/zinc/17/70/39/701177039.db2.gz UKZXMSJCANVUKX-BDJLRTHQSA-N 0 3 305.374 1.819 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+](C[C@H]1CCOC1)C1CC1)[C@H](O)CO2 ZINC000768440204 701177043 /nfs/dbraw/zinc/17/70/43/701177043.db2.gz UKZXMSJCANVUKX-BDJLRTHQSA-N 0 3 305.374 1.819 20 10 DDCDHN CO[C@@H]1COC[C@@H]1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000840823848 702250223 /nfs/dbraw/zinc/25/02/23/702250223.db2.gz FZTBORKGWHBJCK-ISTRZQFTSA-N 0 3 324.396 1.727 20 10 DDCDHN C[C@@H]1NCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000841759454 702557710 /nfs/dbraw/zinc/55/77/10/702557710.db2.gz GANKAHPCYQZWRF-RYUDHWBXSA-N 0 3 308.401 1.784 20 10 DDCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1[O-] ZINC000866419977 706694024 /nfs/dbraw/zinc/69/40/24/706694024.db2.gz KVDILGQICQKSBN-FXAINCCUSA-N 0 3 316.195 1.873 20 10 DDCDHN COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000843383060 702870918 /nfs/dbraw/zinc/87/09/18/702870918.db2.gz CXLCQYYWVCBKTJ-CQSZACIVSA-N 0 3 324.352 1.071 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN1CN(CCN(C)C)C(=O)[C@H]1C ZINC000843427931 702879530 /nfs/dbraw/zinc/87/95/30/702879530.db2.gz DHWSYLDEOZDBQI-OAHLLOKOSA-N 0 3 318.465 1.613 20 10 DDCDHN CN(C)c1ccc(CN[C@H]2CCN(S(C)(=O)=O)C2)cc1F ZINC000846032546 703229367 /nfs/dbraw/zinc/22/93/67/703229367.db2.gz FIDFJTWFGMJMGL-LBPRGKRZSA-N 0 3 315.414 1.015 20 10 DDCDHN CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652076 706750001 /nfs/dbraw/zinc/75/00/01/706750001.db2.gz VWFAPDILYQYYPH-NWDGAFQWSA-N 0 3 307.394 1.913 20 10 DDCDHN COC(=O)Cn1cc(CC[NH2+][C@H](C)c2ccccc2[O-])nn1 ZINC000879649263 706749592 /nfs/dbraw/zinc/74/95/92/706749592.db2.gz MJHDUUVSWXULQW-LLVKDONJSA-N 0 3 304.350 1.050 20 10 DDCDHN C[C@@H]1CC[C@H](NCc2cc3c(cc2O)OCO3)CS1(=O)=O ZINC000850368036 703727792 /nfs/dbraw/zinc/72/77/92/703727792.db2.gz HRIXLNMDMGKJQU-KOLCDFICSA-N 0 3 313.375 1.176 20 10 DDCDHN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](CC)N(C)C ZINC000819696988 704160595 /nfs/dbraw/zinc/16/05/95/704160595.db2.gz KICPTJWXBUAMPS-AWEZNQCLSA-N 0 3 322.405 1.624 20 10 DDCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](C)N1CCO ZINC000824925618 705559845 /nfs/dbraw/zinc/55/98/45/705559845.db2.gz AJKJTMVVZDHJRE-TXEJJXNPSA-N 0 3 308.378 1.008 20 10 DDCDHN COc1cc(Cl)cc(CN(C)C[C@H]2COCCO2)c1O ZINC000827141205 705938413 /nfs/dbraw/zinc/93/84/13/705938413.db2.gz QAAOIRIUPZEVMB-LBPRGKRZSA-N 0 3 301.770 1.901 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@H]2COCCO2)c1[O-] ZINC000827141205 705938416 /nfs/dbraw/zinc/93/84/16/705938416.db2.gz QAAOIRIUPZEVMB-LBPRGKRZSA-N 0 3 301.770 1.901 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@H]2COCCO2)c1[O-] ZINC000827141205 705938418 /nfs/dbraw/zinc/93/84/18/705938418.db2.gz QAAOIRIUPZEVMB-LBPRGKRZSA-N 0 3 301.770 1.901 20 10 DDCDHN C[C@H](NC(=O)[C@H](N)C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000827725400 706057298 /nfs/dbraw/zinc/05/72/98/706057298.db2.gz HQPDXQLKGSFRDP-SUMWQHHRSA-N 0 3 317.433 1.828 20 10 DDCDHN COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877481951 706119054 /nfs/dbraw/zinc/11/90/54/706119054.db2.gz YHJUQUWMESCYMJ-LSDHHAIUSA-N 0 3 309.406 1.546 20 10 DDCDHN COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877481951 706119055 /nfs/dbraw/zinc/11/90/55/706119055.db2.gz YHJUQUWMESCYMJ-LSDHHAIUSA-N 0 3 309.406 1.546 20 10 DDCDHN CC(C)NC(=O)[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877591779 706152061 /nfs/dbraw/zinc/15/20/61/706152061.db2.gz IMKBREDQOMSNCX-CQSZACIVSA-N 0 3 319.449 1.650 20 10 DDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)CS(C)(=O)=O)c1[O-] ZINC000927028975 712933256 /nfs/dbraw/zinc/93/32/56/712933256.db2.gz YKEQHJPUAMSDDF-GXSJLCMTSA-N 0 3 321.826 1.410 20 10 DDCDHN CCN(CC)CC[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000883160835 707943874 /nfs/dbraw/zinc/94/38/74/707943874.db2.gz BQVLOTRKRNRAJS-ZDUSSCGKSA-N 0 3 311.382 1.483 20 10 DDCDHN CCCN(CC(=O)NCc1ccc(N(C)C)cc1)CC(C)(C)O ZINC000839479832 708050932 /nfs/dbraw/zinc/05/09/32/708050932.db2.gz KKNLHMGOFAVCQO-UHFFFAOYSA-N 0 3 321.465 1.852 20 10 DDCDHN COCC[C@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000884194534 708182162 /nfs/dbraw/zinc/18/21/62/708182162.db2.gz LUUMJZFQTMHWGO-HNNXBMFYSA-N 0 3 323.462 1.220 20 10 DDCDHN CC[C@@H](O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899097796 708982547 /nfs/dbraw/zinc/98/25/47/708982547.db2.gz GYPKUOOKKFYZJJ-HZPDHXFCSA-N 0 3 322.453 1.425 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCOC2)N(C)C)cc1 ZINC000891255715 710143979 /nfs/dbraw/zinc/14/39/79/710143979.db2.gz RIDQVHOOFJXLEG-HOCLYGCPSA-N 0 3 305.422 1.508 20 10 DDCDHN O=C1N=NCN1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000894609904 711212051 /nfs/dbraw/zinc/21/20/51/711212051.db2.gz QCHPRJRDHPPPFV-UHFFFAOYSA-N 0 3 318.333 1.255 20 10 DDCDHN COC(OC)[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000922311291 714017817 /nfs/dbraw/zinc/01/78/17/714017817.db2.gz DHMWPCZKADVKMR-LBPRGKRZSA-N 0 3 312.385 1.759 20 10 DDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)C1CNC1 ZINC000923596271 714423400 /nfs/dbraw/zinc/42/34/00/714423400.db2.gz DYNQAUAXUDTNCW-UHFFFAOYSA-N 0 3 311.451 1.265 20 10 DDCDHN Cc1c(CN2CCN(CCCO)CC2)c2ccccc2n1C ZINC001138252423 750270662 /nfs/dbraw/zinc/27/06/62/750270662.db2.gz GWJUMZNVYYAKQV-UHFFFAOYSA-N 0 3 301.434 1.987 20 10 DDCDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(Cc2ccccc2O)C1 ZINC001203550213 751155958 /nfs/dbraw/zinc/15/59/58/751155958.db2.gz MLZXBIVHWBDEHY-UONOGXRCSA-N 0 3 322.405 1.852 20 10 DDCDHN C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589582 773541302 /nfs/dbraw/zinc/54/13/02/773541302.db2.gz CNCLDEPCOYXUKU-LLVKDONJSA-N 0 3 308.378 1.654 20 10 DDCDHN C[N@@H+]1CCC[C@]2(CCCN(C(=O)c3cc(O)c([O-])c(O)c3)C2)C1 ZINC001270069654 842269674 /nfs/dbraw/zinc/26/96/74/842269674.db2.gz ODIDQQGNDTWWFE-KRWDZBQOSA-N 0 3 320.389 1.751 20 10 DDCDHN C[N@H+]1CCC[C@]2(CCCN(C(=O)c3cc(O)c([O-])c(O)c3)C2)C1 ZINC001270069654 842269685 /nfs/dbraw/zinc/26/96/85/842269685.db2.gz ODIDQQGNDTWWFE-KRWDZBQOSA-N 0 3 320.389 1.751 20 10 DDCDHN COc1cc(CN2CC[C@@]3(CCN(C)C3=O)C2)cc(O)c1O ZINC001272988715 847749900 /nfs/dbraw/zinc/74/99/00/847749900.db2.gz VQKFBCOEJZCDLR-INIZCTEOSA-N 0 3 306.362 1.161 20 10 DDCDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CC(=O)N1C ZINC001327067632 861849351 /nfs/dbraw/zinc/84/93/51/861849351.db2.gz LDNUGHNRXRJKIX-OAHLLOKOSA-N 0 3 316.449 1.101 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)CC1C(=O)N=CNC1=O ZINC001140473872 860640839 /nfs/dbraw/zinc/64/08/39/860640839.db2.gz GCOBUCZKHXFTQP-UHFFFAOYSA-N 0 3 302.378 1.976 20 10 DDCDHN Cc1ccc(O)c(CN2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)c1 ZINC001140620737 860664773 /nfs/dbraw/zinc/66/47/73/860664773.db2.gz ZOEPYZSGCPKWOU-CALCHBBNSA-N 0 3 302.418 1.996 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c(OC)c1 ZINC001141026141 860765564 /nfs/dbraw/zinc/76/55/64/860765564.db2.gz FSZQFOBFQAZDFY-MRXNPFEDSA-N 0 3 306.362 1.121 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CC[C@]3(CCNC3=O)C2)c(OC)c1 ZINC001141026141 860765569 /nfs/dbraw/zinc/76/55/69/860765569.db2.gz FSZQFOBFQAZDFY-MRXNPFEDSA-N 0 3 306.362 1.121 20 10 DDCDHN COc1cc(O)c(CN2CCN(CC(C)(C)O)CC2)c(OC)c1 ZINC001141032453 860768452 /nfs/dbraw/zinc/76/84/52/860768452.db2.gz CIQIYXILFCZMTC-UHFFFAOYSA-N 0 3 324.421 1.298 20 10 DDCDHN C[C@@H](N)C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161534135 866745290 /nfs/dbraw/zinc/74/52/90/866745290.db2.gz FFAWVNZOGNQBPE-SNVBAGLBSA-N 0 3 317.311 1.581 20 10 DDCDHN COc1cccc(CNCc2n[nH]c(C3CCOCC3)n2)c1O ZINC001336753935 869125615 /nfs/dbraw/zinc/12/56/15/869125615.db2.gz BSYYKMBBTPDYLR-UHFFFAOYSA-N 0 3 318.377 1.703 20 10 DDCDHN O=C(C1CC[NH+](Cc2ccc(O)cc2[O-])CC1)N1CCOCC1 ZINC001204274762 871033387 /nfs/dbraw/zinc/03/33/87/871033387.db2.gz ITXXZFZWQZZJHD-UHFFFAOYSA-N 0 3 320.389 1.169 20 10 DDCDHN CS(=O)(=O)N1CCC(C[N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001207450869 873284057 /nfs/dbraw/zinc/28/40/57/873284057.db2.gz UDRFEGLFJFYKQW-UHFFFAOYSA-N 0 3 324.446 1.422 20 10 DDCDHN CS(=O)(=O)N1CCC(C[N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001207450869 873284069 /nfs/dbraw/zinc/28/40/69/873284069.db2.gz UDRFEGLFJFYKQW-UHFFFAOYSA-N 0 3 324.446 1.422 20 10 DDCDHN O=S(=O)(CC1CC[NH2+]CC1)Nc1ccc([O-])c(Cl)c1 ZINC000722223716 888683997 /nfs/dbraw/zinc/68/39/97/888683997.db2.gz MMQDIJOMHLIBFG-UHFFFAOYSA-N 0 3 304.799 1.787 20 10 DDCDHN C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3c([O-])cccc3F)[C@H]2C1 ZINC001351848479 876462262 /nfs/dbraw/zinc/46/22/62/876462262.db2.gz LLBLMMVBPKVDLH-JKOKRWQUSA-N 0 3 307.369 1.671 20 10 DDCDHN C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3c([O-])cccc3F)[C@H]2C1 ZINC001351848479 876462272 /nfs/dbraw/zinc/46/22/72/876462272.db2.gz LLBLMMVBPKVDLH-JKOKRWQUSA-N 0 3 307.369 1.671 20 10 DDCDHN C[C@@H](N)C(=O)NCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217729253 877294071 /nfs/dbraw/zinc/29/40/71/877294071.db2.gz FWNUMWQITGTHAB-LLVKDONJSA-N 0 3 311.345 1.491 20 10 DDCDHN CCOc1ccc(N2CCN(C)C[C@@]3(CCCC(=O)N3)C2)cc1 ZINC001276926337 881124770 /nfs/dbraw/zinc/12/47/70/881124770.db2.gz QZLIJQXURDASIE-SFHVURJKSA-N 0 3 317.433 1.876 20 10 DDCDHN Cc1ccc(C[N@@H+]2C[C@@H](C(N)=O)[C@H](c3cn(C)cn3)C2)c([O-])c1 ZINC001277568200 885881147 /nfs/dbraw/zinc/88/11/47/885881147.db2.gz KHRRENUJQGTKSZ-ZIAGYGMSSA-N 0 3 314.389 1.135 20 10 DDCDHN Cc1ccc(C[N@H+]2C[C@@H](C(N)=O)[C@H](c3cn(C)cn3)C2)c([O-])c1 ZINC001277568200 885881161 /nfs/dbraw/zinc/88/11/61/885881161.db2.gz KHRRENUJQGTKSZ-ZIAGYGMSSA-N 0 3 314.389 1.135 20 10 DDCDHN COc1cc([O-])c(CN2CCNC[C@@]23CC[NH2+]C3)c(Cl)c1 ZINC001234986937 888300199 /nfs/dbraw/zinc/30/01/99/888300199.db2.gz CXYLNVZTRAJFLO-HNNXBMFYSA-N 0 3 311.813 1.192 20 10 DDCDHN COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc2ccccc2c1[O-] ZINC001236202217 889141853 /nfs/dbraw/zinc/14/18/53/889141853.db2.gz SFYPIDJWNLSNDB-HIFRSBDPSA-N 0 3 300.358 1.620 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](CCO)C2)c([O-])c1 ZINC001249208550 893867386 /nfs/dbraw/zinc/86/73/86/893867386.db2.gz VVANAODDGMUFBN-ZDUSSCGKSA-N 0 3 307.390 1.702 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)c([O-])c1 ZINC001249208550 893867373 /nfs/dbraw/zinc/86/73/73/893867373.db2.gz VVANAODDGMUFBN-ZDUSSCGKSA-N 0 3 307.390 1.702 20 10 DDCDHN C[C@H]1CN(Cc2ccccc2O)CCN1c1nccn2cnnc12 ZINC000272469293 130032812 /nfs/dbraw/zinc/03/28/12/130032812.db2.gz ROFFGKAXTSBAGE-ZDUSSCGKSA-N 0 3 324.388 1.541 20 10 DDCDHN COC[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1)OC ZINC000272642435 130047962 /nfs/dbraw/zinc/04/79/62/130047962.db2.gz CXQNUKQYOBHWKC-PBHICJAKSA-N 0 3 308.422 1.835 20 10 DDCDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272712987 130057125 /nfs/dbraw/zinc/05/71/25/130057125.db2.gz YEYVASGWDFJZNG-HJQYBOCKSA-N 0 3 302.374 1.710 20 10 DDCDHN CC(C(=O)NCc1ccc2c(c1)CCCN2C)S(C)(=O)=O ZINC000069959964 406797381 /nfs/dbraw/zinc/79/73/81/406797381.db2.gz USDYIRPSXMUHBA-LLVKDONJSA-N 0 3 310.419 1.118 20 10 DDCDHN COCCC[N@H+](CCOC)Cc1cc(OC)c(OC)cc1[O-] ZINC000271095148 407509781 /nfs/dbraw/zinc/50/97/81/407509781.db2.gz MPBWHIKEWKNLOR-UHFFFAOYSA-N 0 3 313.394 1.894 20 10 DDCDHN COCCC[N@@H+](CCOC)Cc1cc(OC)c(OC)cc1[O-] ZINC000271095148 407509786 /nfs/dbraw/zinc/50/97/86/407509786.db2.gz MPBWHIKEWKNLOR-UHFFFAOYSA-N 0 3 313.394 1.894 20 10 DDCDHN COCCN1CC[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000271827995 407731573 /nfs/dbraw/zinc/73/15/73/407731573.db2.gz OEUPHZDGOAJZLJ-ZDUSSCGKSA-N 0 3 310.394 1.220 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000179802973 407832060 /nfs/dbraw/zinc/83/20/60/407832060.db2.gz XTOZSTRBJSAFMP-HNNXBMFYSA-N 0 3 306.406 1.697 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000179802973 407832064 /nfs/dbraw/zinc/83/20/64/407832064.db2.gz XTOZSTRBJSAFMP-HNNXBMFYSA-N 0 3 306.406 1.697 20 10 DDCDHN CCC[C@@](C)(N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000272293751 407857421 /nfs/dbraw/zinc/85/74/21/407857421.db2.gz FTPVLIQCMZHIKI-GOSISDBHSA-N 0 3 319.449 1.999 20 10 DDCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000273621368 408268039 /nfs/dbraw/zinc/26/80/39/408268039.db2.gz ZCYPIRHYJICXPK-QWHCGFSZSA-N 0 3 312.435 1.775 20 10 DDCDHN C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000276904189 408902604 /nfs/dbraw/zinc/90/26/04/408902604.db2.gz JNCXISHTAUQGDX-WDEREUQCSA-N 0 3 300.349 1.778 20 10 DDCDHN Oc1cc(OCc2ccccc2)ccc1CN1C[C@@H](O)[C@@H](O)C1 ZINC000278340049 409078737 /nfs/dbraw/zinc/07/87/37/409078737.db2.gz HNVCFQYORWZHEU-HDICACEKSA-N 0 3 315.369 1.509 20 10 DDCDHN CCNC(=O)[C@@H](NCc1cc(OC)c(OC)cc1O)C(C)C ZINC000293726139 409169293 /nfs/dbraw/zinc/16/92/93/409169293.db2.gz UKKYRJSERHBQSW-HNNXBMFYSA-N 0 3 310.394 1.660 20 10 DDCDHN CN(C)c1ccc(CN(CCO)CCCO)c(C(F)(F)F)c1 ZINC000280354797 409298130 /nfs/dbraw/zinc/29/81/30/409298130.db2.gz UEKKYXFGHYUVHB-UHFFFAOYSA-N 0 3 320.355 1.948 20 10 DDCDHN C[C@@H](N(C)CC(=O)NCc1ccc(N(C)C)cc1)C(C)(C)O ZINC000298395757 410210376 /nfs/dbraw/zinc/21/03/76/410210376.db2.gz OMNAPLVAUSHVCJ-CYBMUJFWSA-N 0 3 307.438 1.460 20 10 DDCDHN CCn1nc2c(cc1=O)CN(Cc1cc(OC)ccc1O)CC2 ZINC000375013402 418586900 /nfs/dbraw/zinc/58/69/00/418586900.db2.gz QDIPXOPHESKLAB-UHFFFAOYSA-N 0 3 315.373 1.536 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000362237052 418751499 /nfs/dbraw/zinc/75/14/99/418751499.db2.gz NXMAMVIUVYTLKJ-CQSZACIVSA-N 0 3 314.389 1.949 20 10 DDCDHN COc1cccc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2)c1[O-] ZINC000371716065 418811893 /nfs/dbraw/zinc/81/18/93/418811893.db2.gz UWBUOTTWROFHBR-ZDUSSCGKSA-N 0 3 302.378 1.503 20 10 DDCDHN CCOCC[C@H](O)CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000373132798 418929129 /nfs/dbraw/zinc/92/91/29/418929129.db2.gz XPADNAHKTMMUJJ-KRWDZBQOSA-N 0 3 322.449 1.995 20 10 DDCDHN O=C(c1cn[n-]c1[C@H]1CC[NH2+]C1)N1CCc2c1cccc2F ZINC000662791329 424767965 /nfs/dbraw/zinc/76/79/65/424767965.db2.gz JUMAZYGVNWFHBL-JTQLQIEISA-N 0 3 300.337 1.829 20 10 DDCDHN Cc1ccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)c([O-])c1O ZINC000179463743 697438033 /nfs/dbraw/zinc/43/80/33/697438033.db2.gz ZBIYAPRJVROBBZ-UHFFFAOYSA-N 0 3 304.350 1.417 20 10 DDCDHN C[C@@H](N[C@@H](C)C(=O)NC(=O)NC1CC1)c1ccc(N(C)C)cc1 ZINC000774482028 697884691 /nfs/dbraw/zinc/88/46/91/697884691.db2.gz DKVMUFAMERWHKI-NEPJUHHUSA-N 0 3 318.421 1.780 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)c1O ZINC000322613799 698735983 /nfs/dbraw/zinc/73/59/83/698735983.db2.gz DAEZTYGAZHAPJO-XHDPSFHLSA-N 0 3 320.364 1.834 20 10 DDCDHN CN(Cc1ccccc1)C[C@@H](N)C(=O)NCc1ccccc1O ZINC000702368168 699229646 /nfs/dbraw/zinc/22/96/46/699229646.db2.gz GQMJXFFIRBBMCZ-MRXNPFEDSA-N 0 3 313.401 1.468 20 10 DDCDHN CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790839329 699600183 /nfs/dbraw/zinc/60/01/83/699600183.db2.gz BXGPZZMUCPCZDM-ZDUSSCGKSA-N 0 3 322.405 1.671 20 10 DDCDHN COc1ccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c([O-])c1 ZINC000740900410 699805615 /nfs/dbraw/zinc/80/56/15/699805615.db2.gz OUYKZTYEQIMHEJ-OCCSQVGLSA-N 0 3 313.419 1.846 20 10 DDCDHN COC(=O)N1CCC(C[NH2+]Cc2c([O-])cccc2OC)CC1 ZINC000796511272 699936688 /nfs/dbraw/zinc/93/66/88/699936688.db2.gz QFLWJWDPYBSWPU-UHFFFAOYSA-N 0 3 308.378 1.969 20 10 DDCDHN C[C@H]1C[C@H]([NH2+]CC2(C(N)=O)CCOCC2)c2c1c(F)ccc2[O-] ZINC000756404268 700619898 /nfs/dbraw/zinc/61/98/98/700619898.db2.gz SUILGGGPNICJMF-JQWIXIFHSA-N 0 3 322.380 1.951 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H](CCO)C1CCOCC1)OCO2 ZINC000763467852 700938788 /nfs/dbraw/zinc/93/87/88/700938788.db2.gz UCNWBMZEJNZHGA-ZDUSSCGKSA-N 0 3 309.362 1.388 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000809700718 701681455 /nfs/dbraw/zinc/68/14/55/701681455.db2.gz NAGIGGLWBWDMQR-UONOGXRCSA-N 0 3 306.406 1.696 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000809700718 701681456 /nfs/dbraw/zinc/68/14/56/701681456.db2.gz NAGIGGLWBWDMQR-UONOGXRCSA-N 0 3 306.406 1.696 20 10 DDCDHN Cn1ccnc1[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464862 701180558 /nfs/dbraw/zinc/18/05/58/701180558.db2.gz FEKCJEWHHXIPCN-ABAIWWIYSA-N 0 3 315.373 1.541 20 10 DDCDHN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464862 701180561 /nfs/dbraw/zinc/18/05/61/701180561.db2.gz FEKCJEWHHXIPCN-ABAIWWIYSA-N 0 3 315.373 1.541 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1[O-] ZINC000840962176 702294677 /nfs/dbraw/zinc/29/46/77/702294677.db2.gz GKHUVECSCPMWLN-MFKMUULPSA-N 0 3 315.797 1.931 20 10 DDCDHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841122230 702356911 /nfs/dbraw/zinc/35/69/11/702356911.db2.gz XZMQUCOEHZRRQZ-UHFFFAOYSA-N 0 3 318.421 1.446 20 10 DDCDHN C[C@H]([NH2+]C[C@H]1CNCCO1)c1cc(Br)ccc1[O-] ZINC000817982811 702542510 /nfs/dbraw/zinc/54/25/10/702542510.db2.gz HVGLAHRHUUSVPC-GXSJLCMTSA-N 0 3 315.211 1.794 20 10 DDCDHN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CNCCO1 ZINC000841710088 702545881 /nfs/dbraw/zinc/54/58/81/702545881.db2.gz SKOPLHCJIBMNTE-INIZCTEOSA-N 0 3 318.421 1.074 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000843415307 702876593 /nfs/dbraw/zinc/87/65/93/702876593.db2.gz IYWIFIHKBNFEGI-LBPRGKRZSA-N 0 3 300.362 1.877 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000843415307 702876595 /nfs/dbraw/zinc/87/65/95/702876595.db2.gz IYWIFIHKBNFEGI-LBPRGKRZSA-N 0 3 300.362 1.877 20 10 DDCDHN CCOc1ccc(C[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)c([O-])c1 ZINC000843435717 702881912 /nfs/dbraw/zinc/88/19/12/702881912.db2.gz XLXHQQSDVUWICE-OLZOCXBDSA-N 0 3 309.362 1.147 20 10 DDCDHN CCOc1ccc(C[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)c([O-])c1 ZINC000843435717 702881914 /nfs/dbraw/zinc/88/19/14/702881914.db2.gz XLXHQQSDVUWICE-OLZOCXBDSA-N 0 3 309.362 1.147 20 10 DDCDHN CC[C@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844173799 702983449 /nfs/dbraw/zinc/98/34/49/702983449.db2.gz YBWYPGDQZNAHAV-INIZCTEOSA-N 0 3 305.422 1.249 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000846031062 703229065 /nfs/dbraw/zinc/22/90/65/703229065.db2.gz IRAYBHWTMVZUPF-CQSZACIVSA-N 0 3 311.451 1.185 20 10 DDCDHN CCc1cccc(CN2CCN(CCOCCOC)CC2)c1O ZINC000848918724 703603849 /nfs/dbraw/zinc/60/38/49/703603849.db2.gz JNXDDSGBOWDRNG-UHFFFAOYSA-N 0 3 322.449 1.735 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cnccn2)c1 ZINC000851900152 703880714 /nfs/dbraw/zinc/88/07/14/703880714.db2.gz PYGGCFYBGQTCDE-SNVBAGLBSA-N 0 3 302.334 1.480 20 10 DDCDHN CCN1CCC(N2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819166520 704079604 /nfs/dbraw/zinc/07/96/04/704079604.db2.gz WTTNALLEMHOJJM-UHFFFAOYSA-N 0 3 317.389 1.641 20 10 DDCDHN O[C@@H](CNCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000853123129 704201428 /nfs/dbraw/zinc/20/14/28/704201428.db2.gz YGGNNUMAPFJINJ-AWEZNQCLSA-N 0 3 318.339 1.661 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)N(C)CCN(C)C)C2)cc1 ZINC000854299673 704376248 /nfs/dbraw/zinc/37/62/48/704376248.db2.gz JZMLBMPVYVSZCD-CQSZACIVSA-N 0 3 320.437 1.477 20 10 DDCDHN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc3c(c2)CCO3)n1 ZINC000858326757 704695541 /nfs/dbraw/zinc/69/55/41/704695541.db2.gz CTGOBHJIZBPNCJ-DZGCQCFKSA-N 0 3 301.346 1.933 20 10 DDCDHN O=C1[C@H](NCc2cc3c(cc2O)OCO3)CCN1C1CCC1 ZINC000858342299 704697583 /nfs/dbraw/zinc/69/75/83/704697583.db2.gz KFDJHAGMTCNEBC-GFCCVEGCSA-N 0 3 304.346 1.364 20 10 DDCDHN Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c([O-])c1 ZINC000877502051 706125238 /nfs/dbraw/zinc/12/52/38/706125238.db2.gz ZMEGODBARUGQRH-OCCSQVGLSA-N 0 3 312.435 1.508 20 10 DDCDHN COCC[C@@H](N)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000884368982 708267086 /nfs/dbraw/zinc/26/70/86/708267086.db2.gz OPQWAHIHYZMKLC-XJKSGUPXSA-N 0 3 321.421 1.002 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897261545 708272700 /nfs/dbraw/zinc/27/27/00/708272700.db2.gz IPELYVHZRMZHAK-CYBMUJFWSA-N 0 3 307.390 1.907 20 10 DDCDHN COC(=O)c1c(CN[C@H]2C[C@H](CO)C2)c2cc(F)ccc2n1C ZINC000897354896 708303117 /nfs/dbraw/zinc/30/31/17/708303117.db2.gz ABZKRBBSXVYYQG-UMSPYCQHSA-N 0 3 320.364 1.965 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000897582243 708382509 /nfs/dbraw/zinc/38/25/09/708382509.db2.gz QJZQQIMEZXYFSZ-UHFFFAOYSA-N 0 3 319.405 1.638 20 10 DDCDHN CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1c([O-])cccc1F ZINC000900669458 709704208 /nfs/dbraw/zinc/70/42/08/709704208.db2.gz KGPMNAMZUPTFKR-MRXNPFEDSA-N 0 3 324.396 1.941 20 10 DDCDHN CO[C@@H]1C[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891243089 710139567 /nfs/dbraw/zinc/13/95/67/710139567.db2.gz HCWNTGSSEIFWIV-BZUAXINKSA-N 0 3 305.422 1.506 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCO2)N(C)C)cc1 ZINC000891249680 710141807 /nfs/dbraw/zinc/14/18/07/710141807.db2.gz VTRULTNODUYQSM-CVEARBPZSA-N 0 3 305.422 1.651 20 10 DDCDHN COc1ccc(CNCC(=O)NC2CCCC2)c(O)c1OC ZINC000892883541 710518948 /nfs/dbraw/zinc/51/89/48/710518948.db2.gz OLJINJCBBIKGIJ-UHFFFAOYSA-N 0 3 308.378 1.558 20 10 DDCDHN COc1cc(C)cc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000894003370 710919971 /nfs/dbraw/zinc/91/99/71/710919971.db2.gz WDBDAFRITLSJHK-HOTGVXAUSA-N 0 3 320.433 1.740 20 10 DDCDHN C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(F)ccc1[O-] ZINC000903399490 711114424 /nfs/dbraw/zinc/11/44/24/711114424.db2.gz XBPAMZBPEIBAJZ-JQWIXIFHSA-N 0 3 318.352 1.956 20 10 DDCDHN COc1cc(C)cc(CN2CCN(C[C@H](C)O)C[C@H]2C)c1O ZINC000894608296 711211454 /nfs/dbraw/zinc/21/14/54/711211454.db2.gz HDZXOECTKBXVQT-KGLIPLIRSA-N 0 3 308.422 1.596 20 10 DDCDHN COc1ccc(CNCCS(=O)(=O)C2CC2)c(O)c1OC ZINC000894917042 711318404 /nfs/dbraw/zinc/31/84/04/711318404.db2.gz YULQFJSFALDCDV-UHFFFAOYSA-N 0 3 315.391 1.076 20 10 DDCDHN COC(=O)C[C@@]1(NCc2ccc3c(c2)CCCO3)CCOC1 ZINC000922003801 713934122 /nfs/dbraw/zinc/93/41/22/713934122.db2.gz FCDACVBIZGKAQL-KRWDZBQOSA-N 0 3 305.374 1.823 20 10 DDCDHN CCN(C)c1ccc(CN[C@@H]2C(=O)NCC23CCOCC3)cc1 ZINC000933036652 714506057 /nfs/dbraw/zinc/50/60/57/714506057.db2.gz XHAVLGUMVLIWMK-MRXNPFEDSA-N 0 3 317.433 1.528 20 10 DDCDHN CN(C)C[C@@H]1NC(=O)N(Cc2ccc3c(c2)CCCN3C)C1=O ZINC000924542214 714606657 /nfs/dbraw/zinc/60/66/57/714606657.db2.gz HPZYRHFJVSAUHH-AWEZNQCLSA-N 0 3 316.405 1.051 20 10 DDCDHN CCOC(=O)[C@H]1CCN(Cc2c(O)cc(O)cc2O)CCC1=O ZINC001144509243 772557403 /nfs/dbraw/zinc/55/74/03/772557403.db2.gz QCEPZBSBXBVJAW-NSHDSACASA-N 0 3 323.345 1.148 20 10 DDCDHN CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)[C@H](C)C1 ZINC001148590334 773542290 /nfs/dbraw/zinc/54/22/90/773542290.db2.gz HUUQDQSEPRAPEF-PWSUYJOCSA-N 0 3 308.378 1.652 20 10 DDCDHN CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)[C@H](C)C1 ZINC001148590334 773542291 /nfs/dbraw/zinc/54/22/91/773542291.db2.gz HUUQDQSEPRAPEF-PWSUYJOCSA-N 0 3 308.378 1.652 20 10 DDCDHN Oc1ccccc1CN1C[C@@H]2COC[C@H](C1)N2Cc1cn[nH]c1 ZINC001275267249 852940481 /nfs/dbraw/zinc/94/04/81/852940481.db2.gz LMCBWGQNRZKAGL-IYBDPMFKSA-N 0 3 314.389 1.201 20 10 DDCDHN COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001275952329 854006136 /nfs/dbraw/zinc/00/61/36/854006136.db2.gz CTWMFLIPLFOUMH-HOTGVXAUSA-N 0 3 322.405 1.367 20 10 DDCDHN COCCOCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(O)cc1[O-] ZINC001275952329 854006139 /nfs/dbraw/zinc/00/61/39/854006139.db2.gz CTWMFLIPLFOUMH-HOTGVXAUSA-N 0 3 322.405 1.367 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC(=O)[C@@H](F)CC3)cc2)CC1 ZINC001139407956 860390644 /nfs/dbraw/zinc/39/06/44/860390644.db2.gz HVHVMILQPWAOBI-KRWDZBQOSA-N 0 3 319.424 1.941 20 10 DDCDHN CCN1CCN(c2ccc(CN(C)CC(=O)N(C)C)cc2)CC1 ZINC001140304638 860615361 /nfs/dbraw/zinc/61/53/61/860615361.db2.gz WYRWCBHPOMCUIE-UHFFFAOYSA-N 0 3 318.465 1.349 20 10 DDCDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028236 860765712 /nfs/dbraw/zinc/76/57/12/860765712.db2.gz HBQUGDMTAHETTQ-LLVKDONJSA-N 0 3 309.362 1.794 20 10 DDCDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028236 860765708 /nfs/dbraw/zinc/76/57/08/860765708.db2.gz HBQUGDMTAHETTQ-LLVKDONJSA-N 0 3 309.362 1.794 20 10 DDCDHN CCOC(=O)[C@@H]1CCN(Cc2c(O)cc(OC)cc2OC)C1 ZINC001141028236 860765716 /nfs/dbraw/zinc/76/57/16/860765716.db2.gz HBQUGDMTAHETTQ-LLVKDONJSA-N 0 3 309.362 1.794 20 10 DDCDHN OC[C@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)CC[C@H]1O ZINC001141074704 860782563 /nfs/dbraw/zinc/78/25/63/860782563.db2.gz RNBMMALEOBOANG-QZTJIDSGSA-N 0 3 316.445 1.561 20 10 DDCDHN OC[C@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)CC[C@@H]1O ZINC001141074703 860783023 /nfs/dbraw/zinc/78/30/23/860783023.db2.gz RNBMMALEOBOANG-MSOLQXFVSA-N 0 3 316.445 1.561 20 10 DDCDHN Oc1ccc(O)c(CN2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1 ZINC001141158523 860797739 /nfs/dbraw/zinc/79/77/39/860797739.db2.gz CLDZXPRRRFZGEG-ZMSDIMECSA-N 0 3 305.374 1.724 20 10 DDCDHN COc1cccc(CN2CCC[C@@H](NC(=O)C3CC3)C2)c1O ZINC001203602047 870664059 /nfs/dbraw/zinc/66/40/59/870664059.db2.gz YMBWVOUFUABZSI-CQSZACIVSA-N 0 3 304.390 1.891 20 10 DDCDHN CCOc1cccc(CN2CCC[C@@H](NC(=O)COC)C2)c1O ZINC001203617399 870674689 /nfs/dbraw/zinc/67/46/89/870674689.db2.gz QCSDPTLCKYEOGO-CQSZACIVSA-N 0 3 322.405 1.518 20 10 DDCDHN COc1cc(N2CCN([C@H](C)[C@H](C)O)CC2)cc(OC)c1OC ZINC001307665771 871448592 /nfs/dbraw/zinc/44/85/92/871448592.db2.gz DBZVJOQNWQRGBI-OLZOCXBDSA-N 0 3 324.421 1.604 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CCN2CCNC2=S)c1[O-] ZINC001308988772 871544863 /nfs/dbraw/zinc/54/48/63/871544863.db2.gz UYMBTYCBNVFZGV-UHFFFAOYSA-N 0 3 315.826 1.334 20 10 DDCDHN CN1CCO[C@]2(CCCN(Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276516450 873123081 /nfs/dbraw/zinc/12/30/81/873123081.db2.gz CHOCSFCXMDFDGI-MRXNPFEDSA-N 0 3 308.378 1.100 20 10 DDCDHN C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc(F)ccc1[O-] ZINC000400192029 876497016 /nfs/dbraw/zinc/49/70/16/876497016.db2.gz MKBWLLOSNBSTBC-ONGXEEELSA-N 0 3 302.371 1.216 20 10 DDCDHN O=C(NCC(F)F)[C@@]12C[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001276914083 881069552 /nfs/dbraw/zinc/06/95/52/881069552.db2.gz MCJCCVLZKMDQBB-MEBBXXQBSA-N 0 3 312.316 1.301 20 10 DDCDHN COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC=CC3)C2)c([O-])c1 ZINC001277457350 884515751 /nfs/dbraw/zinc/51/57/51/884515751.db2.gz MEXZZVQODJXBOJ-RDTXWAMCSA-N 0 3 314.385 1.621 20 10 DDCDHN COc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CC=CC3)C2)c([O-])c1 ZINC001277457350 884515760 /nfs/dbraw/zinc/51/57/60/884515760.db2.gz MEXZZVQODJXBOJ-RDTXWAMCSA-N 0 3 314.385 1.621 20 10 DDCDHN CCOC(=O)CCCOc1ccc(C[N@H+](C)CCO)c([O-])c1 ZINC001236258889 889156435 /nfs/dbraw/zinc/15/64/35/889156435.db2.gz JYBBMGBNHVUSPV-UHFFFAOYSA-N 0 3 311.378 1.538 20 10 DDCDHN CCOC(=O)CCCOc1ccc(C[N@@H+](C)CCO)c([O-])c1 ZINC001236258889 889156446 /nfs/dbraw/zinc/15/64/46/889156446.db2.gz JYBBMGBNHVUSPV-UHFFFAOYSA-N 0 3 311.378 1.538 20 10 DDCDHN COCCCN1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236751383 889329758 /nfs/dbraw/zinc/32/97/58/889329758.db2.gz BGUDXZFDLAZBIO-UHFFFAOYSA-N 0 3 324.421 1.564 20 10 DDCDHN Cc1cc(F)cc(C[NH+]2CCC3(CC2)CNC(=O)CO3)c1[O-] ZINC001238070687 890014176 /nfs/dbraw/zinc/01/41/76/890014176.db2.gz OFFAECDUBQGBSY-UHFFFAOYSA-N 0 3 308.353 1.321 20 10 DDCDHN Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001251736219 894791388 /nfs/dbraw/zinc/79/13/88/894791388.db2.gz MFROJQYYKNJMOX-OAHLLOKOSA-N 0 3 303.358 1.936 20 10 DDCDHN Cc1ccccc1OC[C@@H](O)CNCc1ccc(O)c(O)c1 ZINC001251736698 894792219 /nfs/dbraw/zinc/79/22/19/894792219.db2.gz YTTITOJGICZPGY-AWEZNQCLSA-N 0 3 303.358 1.936 20 10 DDCDHN COc1cccc(OC[C@H](O)CNCc2ccc(O)c(O)c2)c1 ZINC001253980774 896199191 /nfs/dbraw/zinc/19/91/91/896199191.db2.gz VPSACQCJZQPIRA-CYBMUJFWSA-N 0 3 319.357 1.636 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CCOCCS(C)(=O)=O)c([O-])c1C ZINC000273540907 130133670 /nfs/dbraw/zinc/13/36/70/130133670.db2.gz YGGPVVJTMNGCFX-CYBMUJFWSA-N 0 3 315.435 1.721 20 10 DDCDHN CS(=O)(=O)CCCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000274714281 130256617 /nfs/dbraw/zinc/25/66/17/130256617.db2.gz BJTYPOXPEUQXPV-UHFFFAOYSA-N 0 3 315.391 1.425 20 10 DDCDHN COC(=O)c1cn(CC[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])nn1 ZINC000284394464 131077435 /nfs/dbraw/zinc/07/74/35/131077435.db2.gz PJCRFLADBYEXJY-GFCCVEGCSA-N 0 3 318.377 1.738 20 10 DDCDHN Cc1cnn(C)c1CNCc1ccc(N2CCOCC2)cc1 ZINC000285412642 131165970 /nfs/dbraw/zinc/16/59/70/131165970.db2.gz JBWGSZPJSPOSLY-UHFFFAOYSA-N 0 3 300.406 1.855 20 10 DDCDHN COC(=O)CN1CCC([NH2+]Cc2cccc(OC)c2[O-])CC1 ZINC000289179793 131363505 /nfs/dbraw/zinc/36/35/05/131363505.db2.gz AHBXIQNYQQTKST-UHFFFAOYSA-N 0 3 308.378 1.128 20 10 DDCDHN CN(C)c1ccc(CN2CCC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000271198448 407570934 /nfs/dbraw/zinc/57/09/34/407570934.db2.gz SJESFDFKGWDAQH-AWEZNQCLSA-N 0 3 311.451 1.253 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)cc1 ZINC000106900999 407365524 /nfs/dbraw/zinc/36/55/24/407365524.db2.gz LRRJAZXXSKMQMY-KRWDZBQOSA-N 0 3 319.449 1.930 20 10 DDCDHN Cc1cc(=O)n2nc(CN(C)Cc3ccccc3O)sc2n1 ZINC000111236280 407401939 /nfs/dbraw/zinc/40/19/39/407401939.db2.gz DESNPBAILQJVDG-UHFFFAOYSA-N 0 3 316.386 1.797 20 10 DDCDHN CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C1 ZINC000186109643 407577111 /nfs/dbraw/zinc/57/71/11/407577111.db2.gz WYWTXATZNCMLAV-NWDGAFQWSA-N 0 3 307.394 1.855 20 10 DDCDHN Cc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)c(O)c1O ZINC000271329099 407638619 /nfs/dbraw/zinc/63/86/19/407638619.db2.gz YSQCFGOEZCMGBO-UHFFFAOYSA-N 0 3 321.421 1.116 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N(C)C2)c1[O-] ZINC000271818948 407732966 /nfs/dbraw/zinc/73/29/66/407732966.db2.gz CBVZXMAEQLUKNR-LLVKDONJSA-N 0 3 313.195 1.783 20 10 DDCDHN CNS(=O)(=O)CCN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000187181817 407830041 /nfs/dbraw/zinc/83/00/41/407830041.db2.gz GPBIGCJLFQIHGX-NSHDSACASA-N 0 3 312.435 1.471 20 10 DDCDHN CN(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000264578063 408539006 /nfs/dbraw/zinc/53/90/06/408539006.db2.gz BICPQEGKSYSWQY-HNNXBMFYSA-N 0 3 306.406 1.852 20 10 DDCDHN CN(C)C(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000264578063 408539012 /nfs/dbraw/zinc/53/90/12/408539012.db2.gz BICPQEGKSYSWQY-HNNXBMFYSA-N 0 3 306.406 1.852 20 10 DDCDHN CCCOc1ccc(C[NH2+][C@@H]2CCN(CCOC)C2)c([O-])c1 ZINC000264594450 408540155 /nfs/dbraw/zinc/54/01/55/408540155.db2.gz MGBOECWTUONVOX-OAHLLOKOSA-N 0 3 308.422 1.991 20 10 DDCDHN COc1cc([O-])c(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1OC ZINC000280979005 408868062 /nfs/dbraw/zinc/86/80/62/408868062.db2.gz WAKLYUZZYUYSIC-WCQYABFASA-N 0 3 311.378 1.144 20 10 DDCDHN COc1cccc(C[NH2+]CCCN2CCCO[C@H](C)C2)c1[O-] ZINC000277681015 408990295 /nfs/dbraw/zinc/99/02/95/408990295.db2.gz GUGDULVXSYVPSG-CQSZACIVSA-N 0 3 308.422 1.991 20 10 DDCDHN COc1cccc(C[NH2+]CCCN2CCCO[C@@H](C)C2)c1[O-] ZINC000277680990 408991021 /nfs/dbraw/zinc/99/10/21/408991021.db2.gz GUGDULVXSYVPSG-AWEZNQCLSA-N 0 3 308.422 1.991 20 10 DDCDHN CN(C)CCn1nccc1NC(=O)N(C)Cc1ccccc1O ZINC000294113728 409243577 /nfs/dbraw/zinc/24/35/77/409243577.db2.gz DOLDQKUVCUMFTB-UHFFFAOYSA-N 0 3 317.393 1.814 20 10 DDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@](COC)(C(=O)OC)C2)c1 ZINC000295042976 409308641 /nfs/dbraw/zinc/30/86/41/409308641.db2.gz MSZDTGRDSBQLQY-KRWDZBQOSA-N 0 3 323.389 1.802 20 10 DDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@](COC)(C(=O)OC)C2)c1 ZINC000295042976 409308643 /nfs/dbraw/zinc/30/86/43/409308643.db2.gz MSZDTGRDSBQLQY-KRWDZBQOSA-N 0 3 323.389 1.802 20 10 DDCDHN COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000295096099 409320413 /nfs/dbraw/zinc/32/04/13/409320413.db2.gz SBCPXDMHMSLISF-MRXNPFEDSA-N 0 3 309.362 1.412 20 10 DDCDHN COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000295096099 409320417 /nfs/dbraw/zinc/32/04/17/409320417.db2.gz SBCPXDMHMSLISF-MRXNPFEDSA-N 0 3 309.362 1.412 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H]2CCOC2(C)C)cc1 ZINC000295229535 409385569 /nfs/dbraw/zinc/38/55/69/409385569.db2.gz ODCYFDLSGFDQKX-MRXNPFEDSA-N 0 3 319.449 1.868 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000361014127 418565810 /nfs/dbraw/zinc/56/58/10/418565810.db2.gz XXPVFOYFXYJFEP-AWEZNQCLSA-N 0 3 316.405 1.893 20 10 DDCDHN CC[C@H](c1ccccc1O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000369927585 418739359 /nfs/dbraw/zinc/73/93/59/418739359.db2.gz ARYMDCAGVQTGPQ-KGLIPLIRSA-N 0 3 317.389 1.812 20 10 DDCDHN COc1cccc(C[NH2+][C@H]2CCCN(c3ccncn3)C2)c1[O-] ZINC000370766209 418748300 /nfs/dbraw/zinc/74/83/00/418748300.db2.gz IHNVFYZMRMWECR-AWEZNQCLSA-N 0 3 314.389 1.949 20 10 DDCDHN COc1cccc(C[NH2+][C@@H]2CCCN(c3ccncn3)C2)c1[O-] ZINC000370766210 418748419 /nfs/dbraw/zinc/74/84/19/418748419.db2.gz IHNVFYZMRMWECR-CQSZACIVSA-N 0 3 314.389 1.949 20 10 DDCDHN COc1cc(O)c(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1OC ZINC000368959086 418726883 /nfs/dbraw/zinc/72/68/83/418726883.db2.gz RFZKJSVNEAULNK-KANYHAFZSA-N 0 3 320.389 1.495 20 10 DDCDHN C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccccc1[O-] ZINC000371690468 418809452 /nfs/dbraw/zinc/80/94/52/418809452.db2.gz XMFSHMDTRSKGKN-PRXAMGSTSA-N 0 3 317.389 1.763 20 10 DDCDHN CC[C@H](c1ccccc1O)N1CCN2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000372596240 418886009 /nfs/dbraw/zinc/88/60/09/418886009.db2.gz SANJGCFVNVYWGT-OLZOCXBDSA-N 0 3 303.362 1.422 20 10 DDCDHN COc1cccc(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1O ZINC000188747116 525946642 /nfs/dbraw/zinc/94/66/42/525946642.db2.gz YLHVSCBUJMBIIC-ZDUSSCGKSA-N 0 3 308.422 1.678 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+][C@@]2(CO)CCOC2)c1[O-] ZINC000184180773 526158688 /nfs/dbraw/zinc/15/86/88/526158688.db2.gz SENCQTVJFXHSON-CYBMUJFWSA-N 0 3 316.195 1.704 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000372575005 529258430 /nfs/dbraw/zinc/25/84/30/529258430.db2.gz ZLEGSWCRDFLIPG-JSGCOSHPSA-N 0 3 312.435 1.857 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000372575005 529258432 /nfs/dbraw/zinc/25/84/32/529258432.db2.gz ZLEGSWCRDFLIPG-JSGCOSHPSA-N 0 3 312.435 1.857 20 10 DDCDHN CC[C@H](CO)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000093740322 696601494 /nfs/dbraw/zinc/60/14/94/696601494.db2.gz AMJCFDLTIDKIKD-CYBMUJFWSA-N 0 3 308.378 1.009 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(OC)CCOC2)c1[O-] ZINC000126977830 696767334 /nfs/dbraw/zinc/76/73/34/696767334.db2.gz KTLWAFUDYHEWER-CQSZACIVSA-N 0 3 301.770 1.949 20 10 DDCDHN COc1cc(Br)cc(C[N@H+](C)C[C@H](C)O)c1[O-] ZINC000130744017 696800926 /nfs/dbraw/zinc/80/09/26/696800926.db2.gz CEWRXKYEESCVLC-QMMMGPOBSA-N 0 3 304.184 1.976 20 10 DDCDHN COc1cc(Br)cc(C[N@@H+](C)C[C@H](C)O)c1[O-] ZINC000130744017 696800927 /nfs/dbraw/zinc/80/09/27/696800927.db2.gz CEWRXKYEESCVLC-QMMMGPOBSA-N 0 3 304.184 1.976 20 10 DDCDHN CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000778984240 698388777 /nfs/dbraw/zinc/38/87/77/698388777.db2.gz CHRSRGLGPXJKCL-LLVKDONJSA-N 0 3 316.398 1.293 20 10 DDCDHN CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000778984240 698388780 /nfs/dbraw/zinc/38/87/80/698388780.db2.gz CHRSRGLGPXJKCL-LLVKDONJSA-N 0 3 316.398 1.293 20 10 DDCDHN CS(=O)(=O)NC[C@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000778984240 698388783 /nfs/dbraw/zinc/38/87/83/698388783.db2.gz CHRSRGLGPXJKCL-LLVKDONJSA-N 0 3 316.398 1.293 20 10 DDCDHN COCCO[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000780491026 698524411 /nfs/dbraw/zinc/52/44/11/698524411.db2.gz DMEQTJVHBKBAAO-SWLSCSKDSA-N 0 3 309.362 1.055 20 10 DDCDHN COCCO[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000780491026 698524414 /nfs/dbraw/zinc/52/44/14/698524414.db2.gz DMEQTJVHBKBAAO-SWLSCSKDSA-N 0 3 309.362 1.055 20 10 DDCDHN CN1C(=O)CC[C@@H](NCc2ccc(N3CCCCC3)cc2)C1=O ZINC000321136628 698725363 /nfs/dbraw/zinc/72/53/63/698725363.db2.gz XUEWSDBBISLSQR-MRXNPFEDSA-N 0 3 315.417 1.914 20 10 DDCDHN C[C@H]1OCC[C@]1(C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000755169600 700554138 /nfs/dbraw/zinc/55/41/38/700554138.db2.gz OBQBDECYYSBEQV-DYVFJYSZSA-N 0 3 305.422 1.526 20 10 DDCDHN CC[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccccc1[O-] ZINC000761500654 700862117 /nfs/dbraw/zinc/86/21/17/700862117.db2.gz YKNUUEDOPGNVMB-INIZCTEOSA-N 0 3 319.449 1.986 20 10 DDCDHN COc1cccc(O)c1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000769523312 701248167 /nfs/dbraw/zinc/24/81/67/701248167.db2.gz FWTDYGWZMPYXEH-CQSZACIVSA-N 0 3 306.406 1.555 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCOC3)C1)[C@@H](O)CO2 ZINC000840146880 701995840 /nfs/dbraw/zinc/99/58/40/701995840.db2.gz ZAFQNZJVLQJQSP-DOTOQJQBSA-N 0 3 305.374 1.821 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@]3(CCOC3)C1)[C@@H](O)CO2 ZINC000840146880 701995845 /nfs/dbraw/zinc/99/58/45/701995845.db2.gz ZAFQNZJVLQJQSP-DOTOQJQBSA-N 0 3 305.374 1.821 20 10 DDCDHN C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1O ZINC000868217710 702005144 /nfs/dbraw/zinc/00/51/44/702005144.db2.gz VDMMSFDLRKPYBZ-BFHYXJOUSA-N 0 3 319.405 1.616 20 10 DDCDHN COc1cccc(O)c1CN1CCC[C@H](n2cc(CO)nn2)C1 ZINC000816641947 702133521 /nfs/dbraw/zinc/13/35/21/702133521.db2.gz KJIQPCYPNXZXTJ-ZDUSSCGKSA-N 0 3 318.377 1.322 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000816641947 702133525 /nfs/dbraw/zinc/13/35/25/702133525.db2.gz KJIQPCYPNXZXTJ-ZDUSSCGKSA-N 0 3 318.377 1.322 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000816641947 702133531 /nfs/dbraw/zinc/13/35/31/702133531.db2.gz KJIQPCYPNXZXTJ-ZDUSSCGKSA-N 0 3 318.377 1.322 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2ccnn2)c2c1c(F)ccc2[O-] ZINC000840804728 702244141 /nfs/dbraw/zinc/24/41/41/702244141.db2.gz HNAHDLBJOVXHKH-SCVCMEIPSA-N 0 3 306.341 1.322 20 10 DDCDHN CCN(CC)c1ccc(CN[C@@H]2CCC(=O)N(C)C2=O)cc1F ZINC000818233375 702612660 /nfs/dbraw/zinc/61/26/60/702612660.db2.gz LCFJTSLOVSEAEB-CQSZACIVSA-N 0 3 321.396 1.909 20 10 DDCDHN O=C1CNCCN1[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000843065408 702811922 /nfs/dbraw/zinc/81/19/22/702811922.db2.gz LZKBSRNDZKUYRH-GFCCVEGCSA-N 0 3 323.824 1.442 20 10 DDCDHN O=C1CNCCN1[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000843065408 702811925 /nfs/dbraw/zinc/81/19/25/702811925.db2.gz LZKBSRNDZKUYRH-GFCCVEGCSA-N 0 3 323.824 1.442 20 10 DDCDHN C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1c([O-])cccc1Cl ZINC000843429634 702879642 /nfs/dbraw/zinc/87/96/42/702879642.db2.gz YBEQIZXASOUVKL-NSHDSACASA-N 0 3 311.813 1.597 20 10 DDCDHN CCN(CC)c1ccc(CN2C[C@H](C(=O)OC)C[C@H](O)C2)cc1 ZINC000843434294 702881580 /nfs/dbraw/zinc/88/15/80/702881580.db2.gz JONMLMOJSNHXGU-WBVHZDCISA-N 0 3 320.433 1.889 20 10 DDCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000879649193 706749681 /nfs/dbraw/zinc/74/96/81/706749681.db2.gz NOAZPPBVMVTMIK-JHJVBQTASA-N 0 3 319.405 1.155 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2C[C@@H]3COC[C@]3(C)C2)cc1 ZINC000852534116 704069802 /nfs/dbraw/zinc/06/98/02/704069802.db2.gz GZNTWCURHKRTPO-QAPCUYQASA-N 0 3 317.433 1.337 20 10 DDCDHN CCOC(=O)CN(Cc1ccccc1O)C(=O)CN(CC)CC ZINC000819696359 704160510 /nfs/dbraw/zinc/16/05/10/704160510.db2.gz QRIRSURXLYWZRK-UHFFFAOYSA-N 0 3 322.405 1.626 20 10 DDCDHN COCCN1CCC[C@@H]1CNC(=O)NCc1cc(C)ccc1O ZINC000858233728 704682652 /nfs/dbraw/zinc/68/26/52/704682652.db2.gz AOBDDLQABLFMQI-OAHLLOKOSA-N 0 3 321.421 1.611 20 10 DDCDHN COc1cc(O)c(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)cc1OC ZINC000862513195 705725392 /nfs/dbraw/zinc/72/53/92/705725392.db2.gz DWTDIRZEGPRYMC-MWLCHTKSSA-N 0 3 315.391 1.075 20 10 DDCDHN CCOc1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1O ZINC000826994357 705908366 /nfs/dbraw/zinc/90/83/66/705908366.db2.gz DWTPERFWIYPYGB-ZDUSSCGKSA-N 0 3 306.362 1.817 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c([O-])c1 ZINC000827139973 705938502 /nfs/dbraw/zinc/93/85/02/705938502.db2.gz FQTXJUSFMSZEGT-IUODEOHRSA-N 0 3 304.390 1.891 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c([O-])c1 ZINC000827139973 705938503 /nfs/dbraw/zinc/93/85/03/705938503.db2.gz FQTXJUSFMSZEGT-IUODEOHRSA-N 0 3 304.390 1.891 20 10 DDCDHN CN1CCCc2cc(CNC(=O)C(N)C(F)(F)F)ccc21 ZINC000827913664 706087072 /nfs/dbraw/zinc/08/70/72/706087072.db2.gz FYIQJVDFXWUJFD-GFCCVEGCSA-N 0 3 301.312 1.575 20 10 DDCDHN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877498297 706123522 /nfs/dbraw/zinc/12/35/22/706123522.db2.gz BBDSXQSLZGOLRQ-CXAGYDPISA-N 0 3 317.433 1.262 20 10 DDCDHN Cn1nnnc1CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000878241350 706335538 /nfs/dbraw/zinc/33/55/38/706335538.db2.gz SSIHUJWQNSDXAG-AWEZNQCLSA-N 0 3 317.393 1.139 20 10 DDCDHN Cn1nnnc1CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000878241350 706335540 /nfs/dbraw/zinc/33/55/40/706335540.db2.gz SSIHUJWQNSDXAG-AWEZNQCLSA-N 0 3 317.393 1.139 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881476076 707271333 /nfs/dbraw/zinc/27/13/33/707271333.db2.gz LBUMHGKRXQULBF-ZDUSSCGKSA-N 0 3 320.389 1.471 20 10 DDCDHN N[C@@H](CC1CC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000884194165 708182035 /nfs/dbraw/zinc/18/20/35/708182035.db2.gz AWYLPMJFPCKTTO-INIZCTEOSA-N 0 3 319.474 1.983 20 10 DDCDHN CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000898347960 708616012 /nfs/dbraw/zinc/61/60/12/708616012.db2.gz BLXBOKRTCJYPHI-KBPBESRZSA-N 0 3 308.378 1.239 20 10 DDCDHN CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000898356472 708619821 /nfs/dbraw/zinc/61/98/21/708619821.db2.gz QNRGQOGHFHSARZ-AAEUAGOBSA-N 0 3 312.341 1.070 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC=CC2)N(C)C)cc1 ZINC000899098493 708982472 /nfs/dbraw/zinc/98/24/72/708982472.db2.gz OYNXDECTJPRCSQ-MRXNPFEDSA-N 0 3 302.422 1.937 20 10 DDCDHN C/C=C\[C@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246841 710140668 /nfs/dbraw/zinc/14/06/68/710140668.db2.gz QGIWKPPDSOOROX-KQLNYGGHSA-N 0 3 305.422 1.409 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccnnc2)N(C)C)cc1 ZINC000891251501 710141819 /nfs/dbraw/zinc/14/18/19/710141819.db2.gz FLIQWHJLAKJXHH-INIZCTEOSA-N 0 3 313.405 1.575 20 10 DDCDHN CC[C@@H](OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256372 710143999 /nfs/dbraw/zinc/14/39/99/710143999.db2.gz XOXXQSWSEGCGAK-HZPDHXFCSA-N 0 3 307.438 1.897 20 10 DDCDHN C[NH+]1CCC(N(CCO)Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893863203 710862220 /nfs/dbraw/zinc/86/22/20/710862220.db2.gz DFBLIAFDDVCQKO-UHFFFAOYSA-N 0 3 300.349 1.559 20 10 DDCDHN CC[C@@H](CO)N1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000894062544 710947935 /nfs/dbraw/zinc/94/79/35/710947935.db2.gz ALURHYMPKTWRDE-HNNXBMFYSA-N 0 3 308.422 1.598 20 10 DDCDHN CON1CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000905753568 712139379 /nfs/dbraw/zinc/13/93/79/712139379.db2.gz ATOPDOOAKDVIAM-CJNGLKHVSA-N 0 3 319.405 1.336 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000919628594 713623409 /nfs/dbraw/zinc/62/34/09/713623409.db2.gz UKQZAHUPVLMSEK-LBPRGKRZSA-N 0 3 307.369 1.815 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000919628594 713623410 /nfs/dbraw/zinc/62/34/10/713623410.db2.gz UKQZAHUPVLMSEK-LBPRGKRZSA-N 0 3 307.369 1.815 20 10 DDCDHN CCN(CC(=O)OC)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140309704 733517746 /nfs/dbraw/zinc/51/77/46/733517746.db2.gz RIXVKZNWJYZMTR-UHFFFAOYSA-N 0 3 319.449 1.823 20 10 DDCDHN COc1cc(C)c(C[NH2+]CC(C)(C)CS(N)(=O)=O)c([O-])c1 ZINC001183346691 743828210 /nfs/dbraw/zinc/82/82/10/743828210.db2.gz ZZDVVRXWSSRCPA-UHFFFAOYSA-N 0 3 316.423 1.114 20 10 DDCDHN COc1cc(C(=O)N[C@@H]2CCN(CCCF)C2)cc(OC)n1 ZINC001015105895 756125695 /nfs/dbraw/zinc/12/56/95/756125695.db2.gz YNYPOIOLLHWWDS-GFCCVEGCSA-N 0 3 311.357 1.263 20 10 DDCDHN CCOCCN1CC[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618099 846415242 /nfs/dbraw/zinc/41/52/42/846415242.db2.gz BJMQWJHKTQHGBK-SFHVURJKSA-N 0 3 318.417 1.853 20 10 DDCDHN CCOCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618099 846415245 /nfs/dbraw/zinc/41/52/45/846415245.db2.gz BJMQWJHKTQHGBK-SFHVURJKSA-N 0 3 318.417 1.853 20 10 DDCDHN CCOC(=O)CN1CCN(Cc2c(C)ccc(C)c2O)CC1 ZINC001140178493 860587057 /nfs/dbraw/zinc/58/70/57/860587057.db2.gz MQEIXBPGSGQHKN-UHFFFAOYSA-N 0 3 306.406 1.690 20 10 DDCDHN OC1CCN(c2ccc(CN3CC[C@H](F)[C@H](O)C3)cc2)CC1 ZINC001140283389 860610628 /nfs/dbraw/zinc/61/06/28/860610628.db2.gz RUGDBVKZCVFXDJ-DLBZAZTESA-N 0 3 308.397 1.552 20 10 DDCDHN C[C@@]1(O)COCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074924 860782919 /nfs/dbraw/zinc/78/29/19/860782919.db2.gz WYXNIOFRPQCCAF-IBGZPJMESA-N 0 3 316.445 1.969 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001319946681 866398255 /nfs/dbraw/zinc/39/82/55/866398255.db2.gz CQRIGIUMKJZBGM-GFCCVEGCSA-N 0 3 304.390 1.891 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001319946681 866398260 /nfs/dbraw/zinc/39/82/60/866398260.db2.gz CQRIGIUMKJZBGM-GFCCVEGCSA-N 0 3 304.390 1.891 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@]2(F)CCOC2)N(C)C)cc1 ZINC001333624584 866880703 /nfs/dbraw/zinc/88/07/03/866880703.db2.gz GPRXUDPTZLQSFS-WBVHZDCISA-N 0 3 323.412 1.600 20 10 DDCDHN COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001203635037 870689354 /nfs/dbraw/zinc/68/93/54/870689354.db2.gz HEKOPGNENZRYOX-DOMZBBRYSA-N 0 3 304.390 1.844 20 10 DDCDHN COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001203635037 870689359 /nfs/dbraw/zinc/68/93/59/870689359.db2.gz HEKOPGNENZRYOX-DOMZBBRYSA-N 0 3 304.390 1.844 20 10 DDCDHN COc1ccc(O)c(CN2CC[C@H](Oc3ncc(F)cn3)C2)c1 ZINC001203683974 870710533 /nfs/dbraw/zinc/71/05/33/870710533.db2.gz HMFYIIPWJYMIKC-AWEZNQCLSA-N 0 3 319.336 1.983 20 10 DDCDHN C[C@@H]1CN(CCO)CCN1Cc1ccc(N2CCCC2)cc1 ZINC001344075181 872851135 /nfs/dbraw/zinc/85/11/35/872851135.db2.gz MFAAHIQZPPDTCB-MRXNPFEDSA-N 0 3 303.450 1.785 20 10 DDCDHN C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+](C)Cc1ccccc1[O-] ZINC001209337399 874820023 /nfs/dbraw/zinc/82/00/23/874820023.db2.gz HALDLJGNPNROGI-LBPRGKRZSA-N 0 3 314.385 1.943 20 10 DDCDHN C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+](C)Cc1ccccc1[O-] ZINC001209337399 874820040 /nfs/dbraw/zinc/82/00/40/874820040.db2.gz HALDLJGNPNROGI-LBPRGKRZSA-N 0 3 314.385 1.943 20 10 DDCDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1O ZINC001355364499 878521662 /nfs/dbraw/zinc/52/16/62/878521662.db2.gz XCZRAZDOPVIJKQ-SUMWQHHRSA-N 0 3 307.413 1.390 20 10 DDCDHN [NH3+]CCCNCC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001220212861 878824468 /nfs/dbraw/zinc/82/44/68/878824468.db2.gz ZCYNAEFCFGXOCV-UHFFFAOYSA-N 0 3 322.796 1.148 20 10 DDCDHN Cc1ccc(CN2CC[C@@H]3C[C@@]32C(=O)NCC2COC2)c(O)c1 ZINC001277567736 885876788 /nfs/dbraw/zinc/87/67/88/885876788.db2.gz HRCRAOCXVIQAAA-QAPCUYQASA-N 0 3 316.401 1.428 20 10 DDCDHN Cc1cc(C)c(CN2Cc3ccnn3CC[C@@H]2CO)c(O)c1 ZINC001231850457 885904707 /nfs/dbraw/zinc/90/47/07/885904707.db2.gz QAKUPYGNZUGLQG-OAHLLOKOSA-N 0 3 301.390 1.972 20 10 DDCDHN COc1cc([O-])c(C[NH+]2CCC3(C[C@@H]3C(N)=O)CC2)c(OC)c1 ZINC001277589061 885952846 /nfs/dbraw/zinc/95/28/46/885952846.db2.gz VTSYWOKNXJKDAP-CYBMUJFWSA-N 0 3 320.389 1.497 20 10 DDCDHN Oc1cc(O)c(CN2CC[C@H](Oc3ccccn3)C2)cc1O ZINC001233487144 887020888 /nfs/dbraw/zinc/02/08/88/887020888.db2.gz RVPHUNBIPXWAFY-LBPRGKRZSA-N 0 3 302.330 1.852 20 10 DDCDHN CN(Cc1cc(OCc2ccccc2)ccc1O)C[C@@H](O)CO ZINC001236778455 889352908 /nfs/dbraw/zinc/35/29/08/889352908.db2.gz GBRFWRVRJBGALC-MRXNPFEDSA-N 0 3 317.385 1.756 20 10 DDCDHN COc1cc(C)c(C[NH+]2CCC3(CNC(=O)C3)CC2)c([O-])c1 ZINC001236818296 889372504 /nfs/dbraw/zinc/37/25/04/889372504.db2.gz LMYRZHUECVELMR-UHFFFAOYSA-N 0 3 304.390 1.811 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c([O-])c1 ZINC001237046875 889478310 /nfs/dbraw/zinc/47/83/10/889478310.db2.gz HNNJFXUYSAFTQW-CQSZACIVSA-N 0 3 304.390 1.988 20 10 DDCDHN CCOc1ccc(C[N@H+]2CCC(=O)N3CCC[C@@H]3C2)c([O-])c1 ZINC001237046875 889478313 /nfs/dbraw/zinc/47/83/13/889478313.db2.gz HNNJFXUYSAFTQW-CQSZACIVSA-N 0 3 304.390 1.988 20 10 DDCDHN O=C(Nc1nnco1)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278249215 890269092 /nfs/dbraw/zinc/26/90/92/890269092.db2.gz XOCLSHNWQDDTSD-MEBBXXQBSA-N 0 3 318.308 1.375 20 10 DDCDHN O=C(Nc1nnco1)[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278249215 890269108 /nfs/dbraw/zinc/26/91/08/890269108.db2.gz XOCLSHNWQDDTSD-MEBBXXQBSA-N 0 3 318.308 1.375 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3C)c([O-])c1 ZINC001249214638 893873263 /nfs/dbraw/zinc/87/32/63/893873263.db2.gz OQHGSYAVXIIJHC-HOCLYGCPSA-N 0 3 318.417 1.634 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3C)c([O-])c1 ZINC001249214638 893873279 /nfs/dbraw/zinc/87/32/79/893873279.db2.gz OQHGSYAVXIIJHC-HOCLYGCPSA-N 0 3 318.417 1.634 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@H](CO)[C@H](O)C3)ccc2O1 ZINC001249223468 893880120 /nfs/dbraw/zinc/88/01/20/893880120.db2.gz HJUURGBGAHKXDP-UKRRQHHQSA-N 0 3 319.401 1.752 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@H](CO)[C@H](O)C3)ccc2O1 ZINC001249223468 893880140 /nfs/dbraw/zinc/88/01/40/893880140.db2.gz HJUURGBGAHKXDP-UKRRQHHQSA-N 0 3 319.401 1.752 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3OCCC[C@H]3C1)[C@H](O)CO2 ZINC001253981520 896199958 /nfs/dbraw/zinc/19/99/58/896199958.db2.gz QFANYUJGZDATKZ-XZJROXQQSA-N 0 3 305.374 1.819 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3OCCC[C@H]3C1)[C@H](O)CO2 ZINC001253981520 896199963 /nfs/dbraw/zinc/19/99/63/896199963.db2.gz QFANYUJGZDATKZ-XZJROXQQSA-N 0 3 305.374 1.819 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)C1CCC1)cc2=O ZINC000072722440 191222094 /nfs/dbraw/zinc/22/20/94/191222094.db2.gz BEQAYGMEOVEDSD-UHFFFAOYSA-N 0 3 304.350 1.596 20 10 DDCDHN C[C@@H](NC[C@]1(O)CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090850259 353799102 /nfs/dbraw/zinc/79/91/02/353799102.db2.gz VOBNQXIVYFAEQN-CXAGYDPISA-N 0 3 324.396 1.464 20 10 DDCDHN C[C@H](O)CN1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](C)C1 ZINC000284417820 131079161 /nfs/dbraw/zinc/07/91/61/131079161.db2.gz QZUZBYRHCFADHR-RYUDHWBXSA-N 0 3 308.378 1.008 20 10 DDCDHN Oc1cc2c(cc1CN[C@H]1COc3ccccc3[C@@H]1O)OCO2 ZINC000288613090 131332575 /nfs/dbraw/zinc/33/25/75/131332575.db2.gz QVQOYGGKYXPTFF-SJCJKPOMSA-N 0 3 315.325 1.705 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1COc3ccccc3[C@@H]1O)OCO2 ZINC000288613090 131332577 /nfs/dbraw/zinc/33/25/77/131332577.db2.gz QVQOYGGKYXPTFF-SJCJKPOMSA-N 0 3 315.325 1.705 20 10 DDCDHN Cc1cccc(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1O ZINC000289311516 131372796 /nfs/dbraw/zinc/37/27/96/131372796.db2.gz DSIJVHGRVPTIEW-CQSZACIVSA-N 0 3 312.435 1.556 20 10 DDCDHN CCCNC(=O)NC(=O)CN(CCC)Cc1ccccc1O ZINC000069009967 406678225 /nfs/dbraw/zinc/67/82/25/406678225.db2.gz BJRSNXKZKRXAFI-UHFFFAOYSA-N 0 3 307.394 1.840 20 10 DDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000076073967 406953519 /nfs/dbraw/zinc/95/35/19/406953519.db2.gz ZKHDFKYJSKOZHZ-GFCCVEGCSA-N 0 3 319.405 1.981 20 10 DDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000076073967 406953522 /nfs/dbraw/zinc/95/35/22/406953522.db2.gz ZKHDFKYJSKOZHZ-GFCCVEGCSA-N 0 3 319.405 1.981 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)C[C@H]2CNCCO2)cc1F ZINC000269274933 408245919 /nfs/dbraw/zinc/24/59/19/408245919.db2.gz VVYKBGJWGPHCAO-AWEZNQCLSA-N 0 3 323.412 1.667 20 10 DDCDHN CS(=O)(=O)NCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263674660 408201985 /nfs/dbraw/zinc/20/19/85/408201985.db2.gz KXOLVDRPNUBHAS-UHFFFAOYSA-N 0 3 320.414 1.698 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CCCN(C)CC2)cc1 ZINC000263906375 408309897 /nfs/dbraw/zinc/30/98/97/408309897.db2.gz ZNXQHKUTMDEXSB-UHFFFAOYSA-N 0 3 304.438 1.006 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)c1 ZINC000185392157 408803263 /nfs/dbraw/zinc/80/32/63/408803263.db2.gz RTUHBFYTYSMSEV-KBPBESRZSA-N 0 3 307.438 1.687 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000290121888 409305805 /nfs/dbraw/zinc/30/58/05/409305805.db2.gz MDIXHFGXMMQLTA-LBPRGKRZSA-N 0 3 313.419 1.705 20 10 DDCDHN COc1ccc(N2CCN(C(=O)C3(N)CCC3)CC2)cc1F ZINC000295109266 409325899 /nfs/dbraw/zinc/32/58/99/409325899.db2.gz LLBMAEAXNPONTL-UHFFFAOYSA-N 0 3 307.369 1.364 20 10 DDCDHN CN1CCN(C[C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)CC1 ZINC000377629361 418711251 /nfs/dbraw/zinc/71/12/51/418711251.db2.gz RIJBTEYMNGTCIC-HNNXBMFYSA-N 0 3 321.440 1.991 20 10 DDCDHN CN1CCN(C[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)CC1 ZINC000377629361 418711253 /nfs/dbraw/zinc/71/12/53/418711253.db2.gz RIJBTEYMNGTCIC-HNNXBMFYSA-N 0 3 321.440 1.991 20 10 DDCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000368605837 418723189 /nfs/dbraw/zinc/72/31/89/418723189.db2.gz ZFKJRVBKCRHHDP-RHSMWYFYSA-N 0 3 321.440 1.989 20 10 DDCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000368605837 418723191 /nfs/dbraw/zinc/72/31/91/418723191.db2.gz ZFKJRVBKCRHHDP-RHSMWYFYSA-N 0 3 321.440 1.989 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 ZINC000373215654 418932445 /nfs/dbraw/zinc/93/24/45/418932445.db2.gz JOEJRTDGWVPILA-DOMZBBRYSA-N 0 3 304.390 1.891 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 ZINC000373215654 418932446 /nfs/dbraw/zinc/93/24/46/418932446.db2.gz JOEJRTDGWVPILA-DOMZBBRYSA-N 0 3 304.390 1.891 20 10 DDCDHN CCO[C@H]1C[C@](N)(C(=O)N(C)Cc2ccccc2O)C1(C)C ZINC000186723825 279939543 /nfs/dbraw/zinc/93/95/43/279939543.db2.gz OJEQVXQGTOIFTG-YOEHRIQHSA-N 0 3 306.406 1.883 20 10 DDCDHN C[C@@H](CNC(=O)NCc1ccc2c(c1)CCN2C)N(C)C1CC1 ZINC000363769005 332244782 /nfs/dbraw/zinc/24/47/82/332244782.db2.gz PGMYABHCIJVABE-ZDUSSCGKSA-N 0 3 316.449 1.961 20 10 DDCDHN CC(C)C[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000236708564 333513741 /nfs/dbraw/zinc/51/37/41/333513741.db2.gz DRKFBWNFNOXTNK-INIZCTEOSA-N 0 3 305.422 1.513 20 10 DDCDHN CN(C)CCN(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000267222783 524059434 /nfs/dbraw/zinc/05/94/34/524059434.db2.gz AYZKJOCSXBTMPR-RMKNXTFCSA-N 0 3 317.433 1.556 20 10 DDCDHN CCC[N@H+](CCCS(=O)(=O)NC)Cc1ccccc1[O-] ZINC000111214350 696642988 /nfs/dbraw/zinc/64/29/88/696642988.db2.gz SGRSSQBCVIVMMU-UHFFFAOYSA-N 0 3 300.424 1.544 20 10 DDCDHN CCC[N@@H+](CCCS(=O)(=O)NC)Cc1ccccc1[O-] ZINC000111214350 696642990 /nfs/dbraw/zinc/64/29/90/696642990.db2.gz SGRSSQBCVIVMMU-UHFFFAOYSA-N 0 3 300.424 1.544 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2nncs2)c1 ZINC000182417512 697474772 /nfs/dbraw/zinc/47/47/72/697474772.db2.gz WCNBHYKIUOEAHY-QMMMGPOBSA-N 0 3 308.363 1.542 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC(=O)NC(C)(C)C)c1 ZINC000775369697 697989337 /nfs/dbraw/zinc/98/93/37/697989337.db2.gz FQWXPBPMHDPKNE-SNVBAGLBSA-N 0 3 323.393 1.676 20 10 DDCDHN C[C@H](NCc1cc(=O)n2nccc2[nH]1)c1ccc(N(C)C)cc1 ZINC000775830084 698042172 /nfs/dbraw/zinc/04/21/72/698042172.db2.gz CMRYAHLYRCXXMP-LBPRGKRZSA-N 0 3 311.389 1.939 20 10 DDCDHN CC1(C)CN(Cc2cc3c(cc2O)OCO3)CCN1CCO ZINC000783714591 698869484 /nfs/dbraw/zinc/86/94/84/698869484.db2.gz SRKHDQHXNCZWMI-UHFFFAOYSA-N 0 3 308.378 1.009 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@@H](N)C3CCC3)CC2)cc1 ZINC000398987343 699122322 /nfs/dbraw/zinc/12/23/22/699122322.db2.gz IDBBDQYJWMUDJC-INIZCTEOSA-N 0 3 303.406 1.471 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]1CC)cc2=O ZINC000727833041 699427544 /nfs/dbraw/zinc/42/75/44/699427544.db2.gz KBTNJTUPALVYAW-LBPRGKRZSA-N 0 3 318.377 1.986 20 10 DDCDHN CO[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1OC ZINC000754154953 700486592 /nfs/dbraw/zinc/48/65/92/700486592.db2.gz TZFXSJVDVZHZHE-CALCHBBNSA-N 0 3 306.406 1.369 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)c2c1c(F)ccc2[O-] ZINC000757640364 700667293 /nfs/dbraw/zinc/66/72/93/700667293.db2.gz YJRFAIZKSBUHCN-BXKDBHETSA-N 0 3 318.352 1.822 20 10 DDCDHN COC(=O)[C@@H](C)C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768450252 701177910 /nfs/dbraw/zinc/17/79/10/701177910.db2.gz JHTHVPHGLPAHIP-BONVTDFDSA-N 0 3 321.373 1.592 20 10 DDCDHN COC(=O)[C@@H](C)C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768450252 701177912 /nfs/dbraw/zinc/17/79/12/701177912.db2.gz JHTHVPHGLPAHIP-BONVTDFDSA-N 0 3 321.373 1.592 20 10 DDCDHN COC(=O)[C@H]1C[C@H](O)CN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000830865589 706593754 /nfs/dbraw/zinc/59/37/54/706593754.db2.gz ORCMRQKGTCDGKC-GJZGRUSLSA-N 0 3 306.406 1.417 20 10 DDCDHN C[C@H](NCC(=O)NC[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000839563865 701737180 /nfs/dbraw/zinc/73/71/80/701737180.db2.gz PLKZCSOBQPBTSD-BBRMVZONSA-N 0 3 305.422 1.698 20 10 DDCDHN Cc1cc(CN2CCN(CC(C)(C)O)CC2)ccc1N(C)C ZINC000815036751 701786301 /nfs/dbraw/zinc/78/63/01/701786301.db2.gz QJQRYAVNHBMZFN-UHFFFAOYSA-N 0 3 305.466 1.950 20 10 DDCDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCC(=O)N(C)C2=O)cc1 ZINC000818361527 702640018 /nfs/dbraw/zinc/64/00/18/702640018.db2.gz KSRDHYMQGANAKO-DOMZBBRYSA-N 0 3 303.406 1.941 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000843427923 702879469 /nfs/dbraw/zinc/87/94/69/702879469.db2.gz DHWSYLDEOZDBQI-HNNXBMFYSA-N 0 3 318.465 1.613 20 10 DDCDHN CC[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccccc1[O-] ZINC000866521584 706720658 /nfs/dbraw/zinc/72/06/58/706720658.db2.gz NRVWQTOXGFNVBO-CZUORRHYSA-N 0 3 306.362 1.654 20 10 DDCDHN COCCS(=O)(=O)CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648625 706749647 /nfs/dbraw/zinc/74/96/47/706749647.db2.gz WSLJVMLLKLYQKE-GFCCVEGCSA-N 0 3 301.408 1.494 20 10 DDCDHN N[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[C@H]1F ZINC000851657719 703824297 /nfs/dbraw/zinc/82/42/97/703824297.db2.gz KNQPFCOLIVGNDO-NXEZZACHSA-N 0 3 318.443 1.706 20 10 DDCDHN CCOC(=O)CN(Cc1ccccc1O)C(=O)CN(C)C(C)C ZINC000819695958 704160113 /nfs/dbraw/zinc/16/01/13/704160113.db2.gz FYJVUKZGMIPZKQ-UHFFFAOYSA-N 0 3 322.405 1.624 20 10 DDCDHN O[C@]1(C(F)F)CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824726996 705517429 /nfs/dbraw/zinc/51/74/29/705517429.db2.gz ZNFCMMHICPFDMS-MRXNPFEDSA-N 0 3 312.360 1.725 20 10 DDCDHN COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877481795 706118967 /nfs/dbraw/zinc/11/89/67/706118967.db2.gz SQORWTVPZIKASK-GOEBONIOSA-N 0 3 309.406 1.546 20 10 DDCDHN COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877481795 706118969 /nfs/dbraw/zinc/11/89/69/706118969.db2.gz SQORWTVPZIKASK-GOEBONIOSA-N 0 3 309.406 1.546 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c([O-])c1 ZINC000877651887 706170652 /nfs/dbraw/zinc/17/06/52/706170652.db2.gz NBAGESSZFMHNDW-GOSISDBHSA-N 0 3 320.433 1.406 20 10 DDCDHN Cc1cc(Cl)cc(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c1[O-] ZINC000877667735 706174836 /nfs/dbraw/zinc/17/48/36/706174836.db2.gz KEPDRIQDEYXWBQ-HZPDHXFCSA-N 0 3 322.792 1.839 20 10 DDCDHN O=C1[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1C1CCOCC1 ZINC000877672301 706176373 /nfs/dbraw/zinc/17/63/73/706176373.db2.gz BCCVBENHIJVMIV-AWEZNQCLSA-N 0 3 308.353 1.401 20 10 DDCDHN COC(=O)CC[C@@H](N)C(=O)NCCCSc1nccs1 ZINC000829528836 706350771 /nfs/dbraw/zinc/35/07/71/706350771.db2.gz ZYIXWLQJGCRZAR-SECBINFHSA-N 0 3 317.436 1.022 20 10 DDCDHN C[C@@H](O)CN1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835027894 707157668 /nfs/dbraw/zinc/15/76/68/707157668.db2.gz OGQUSSQOSSXBSE-YIEVGGLXSA-N 0 3 303.450 1.764 20 10 DDCDHN COc1ccc(CNCC[S@](C)=O)cc1Cn1cccn1 ZINC000873054270 707711779 /nfs/dbraw/zinc/71/17/79/707711779.db2.gz TZXBNQNXKADFFX-NRFANRHFSA-N 0 3 307.419 1.408 20 10 DDCDHN COC[C@@H](CCO)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873058083 707712809 /nfs/dbraw/zinc/71/28/09/707712809.db2.gz IZTHSVJCLYLOHS-MRXNPFEDSA-N 0 3 319.405 1.427 20 10 DDCDHN O=c1cc(N2CC[C@@H]([NH2+]Cc3cc(F)ccc3[O-])C2)nc[nH]1 ZINC000898158207 708560629 /nfs/dbraw/zinc/56/06/29/708560629.db2.gz QUKDQWHVNFFOCM-GFCCVEGCSA-N 0 3 304.325 1.395 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CC[C@H]2O)N(C)C)cc1 ZINC000899094997 708981762 /nfs/dbraw/zinc/98/17/62/708981762.db2.gz CLUKTPGYAJSHIO-BZUAXINKSA-N 0 3 320.437 1.178 20 10 DDCDHN C[C@@H](CO)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103400 708984362 /nfs/dbraw/zinc/98/43/62/708984362.db2.gz LMLUKHUOMTZESJ-XJKSGUPXSA-N 0 3 322.453 1.378 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccon2)N(C)C)cc1 ZINC000891253043 710143383 /nfs/dbraw/zinc/14/33/83/710143383.db2.gz PMSGJGSCAKXLKN-MRXNPFEDSA-N 0 3 316.405 1.702 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cn[nH]c2)N(C)C)cc1 ZINC000891256243 710143743 /nfs/dbraw/zinc/14/37/43/710143743.db2.gz WDGUSRURBSCBSH-OAHLLOKOSA-N 0 3 301.394 1.508 20 10 DDCDHN CC1([NH3+])CN(Cc2ccc(I)cc2[O-])C1 ZINC001204986459 740664470 /nfs/dbraw/zinc/66/44/70/740664470.db2.gz XICODYGQERVINI-UHFFFAOYSA-N 0 3 318.158 1.530 20 10 DDCDHN C[C@H]([NH3+])[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000220329299 749583964 /nfs/dbraw/zinc/58/39/64/749583964.db2.gz RVNHFXVUTFTREE-ZANVPECISA-N 0 3 315.211 1.703 20 10 DDCDHN C[C@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCN(CCO)C1 ZINC001046862800 767992830 /nfs/dbraw/zinc/99/28/30/767992830.db2.gz QMOLMBOZOGIPLP-HNNXBMFYSA-N 0 3 319.365 1.036 20 10 DDCDHN COC(=O)[C@]1(O)CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001119440158 781455582 /nfs/dbraw/zinc/45/55/82/781455582.db2.gz CYDYXGWVMBNCDJ-KRWDZBQOSA-N 0 3 304.390 1.397 20 10 DDCDHN CN1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2cc(O)c(O)cc2[nH]1 ZINC001269476122 841677208 /nfs/dbraw/zinc/67/72/08/841677208.db2.gz DJXAQJGRXUNUBQ-STQMWFEESA-N 0 3 301.346 1.498 20 10 DDCDHN COCCOCN1CC2(C1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001275267657 852941008 /nfs/dbraw/zinc/94/10/08/852941008.db2.gz VCWGEQBGKJIOAY-UHFFFAOYSA-N 0 3 320.433 1.911 20 10 DDCDHN CN(C)C[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138354573 860070477 /nfs/dbraw/zinc/07/04/77/860070477.db2.gz NTVSYQHBGIHYJG-QGZVFWFLSA-N 0 3 303.450 1.831 20 10 DDCDHN Cc1c(O)ccc(CN2CCN(CCC(C)(C)O)CC2)c1O ZINC001140750197 860691758 /nfs/dbraw/zinc/69/17/58/860691758.db2.gz XIQVYLPQRFTHHH-UHFFFAOYSA-N 0 3 308.422 1.685 20 10 DDCDHN COc1cc([O-])c(C[N@H+](C)C2CCN(C(C)=O)CC2)c(OC)c1 ZINC001141028159 860765771 /nfs/dbraw/zinc/76/57/71/860765771.db2.gz DERHBHOQQZHKNW-UHFFFAOYSA-N 0 3 322.405 1.852 20 10 DDCDHN COc1cc([O-])c(C[N@@H+](C)C2CCN(C(C)=O)CC2)c(OC)c1 ZINC001141028159 860765777 /nfs/dbraw/zinc/76/57/77/860765777.db2.gz DERHBHOQQZHKNW-UHFFFAOYSA-N 0 3 322.405 1.852 20 10 DDCDHN CN1CCOc2cc(CN3CC[C@@H]4[C@H]3CCC(=O)N4C)ccc21 ZINC001141140812 860793295 /nfs/dbraw/zinc/79/32/95/860793295.db2.gz KSZQIONNTSFPNB-HUUCEWRRSA-N 0 3 315.417 1.710 20 10 DDCDHN COc1ccc(O)c(CN2CCC[C@@H](NC(=O)C3CC3)C2)c1 ZINC001203681203 870712004 /nfs/dbraw/zinc/71/20/04/870712004.db2.gz PZNHMZKKDHETDO-CQSZACIVSA-N 0 3 304.390 1.891 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204272515 871028716 /nfs/dbraw/zinc/02/87/16/871028716.db2.gz CAXJORVDOOSMDQ-WBVHZDCISA-N 0 3 320.389 1.310 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])CC[C@H]21 ZINC001204272515 871028731 /nfs/dbraw/zinc/02/87/31/871028731.db2.gz CAXJORVDOOSMDQ-WBVHZDCISA-N 0 3 320.389 1.310 20 10 DDCDHN CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192593 882927376 /nfs/dbraw/zinc/92/73/76/882927376.db2.gz QAZIJBBHJQUTQN-YWVIFJGQSA-N 0 3 304.390 1.644 20 10 DDCDHN CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192593 882927389 /nfs/dbraw/zinc/92/73/89/882927389.db2.gz QAZIJBBHJQUTQN-YWVIFJGQSA-N 0 3 304.390 1.644 20 10 DDCDHN O=C(N1CCCCO1)[C@@]12C[C@@H]1CCN2Cc1ccccc1O ZINC001277446140 884338695 /nfs/dbraw/zinc/33/86/95/884338695.db2.gz MPARUFQDBXMDQZ-WMLDXEAASA-N 0 3 302.374 1.911 20 10 DDCDHN COc1ccc(Br)c(CN2C[C@H](O)[C@@H](C)C2)c1O ZINC001231551091 885729355 /nfs/dbraw/zinc/72/93/55/885729355.db2.gz VSGDVHVWAKALQT-KWQFWETISA-N 0 3 316.195 1.976 20 10 DDCDHN COc1cc(CN2CCC(N3CCCC3=O)CC2)c(O)cc1O ZINC001231639604 885777679 /nfs/dbraw/zinc/77/76/79/885777679.db2.gz WLVSSPNFUKXMBU-UHFFFAOYSA-N 0 3 320.389 1.693 20 10 DDCDHN COCCN(C)C(=O)[C@]12C[C@H]1CCN2Cc1ccc(C)cc1O ZINC001277567930 885882317 /nfs/dbraw/zinc/88/23/17/885882317.db2.gz QYGPCDBEGZWKKO-QAPCUYQASA-N 0 3 318.417 1.770 20 10 DDCDHN Cc1cc(F)cc(CN2CCc3[nH]c(=O)[nH]c(=O)c3C2)c1O ZINC001238070799 890015149 /nfs/dbraw/zinc/01/51/49/890015149.db2.gz PHIFUGRYMLMVSQ-UHFFFAOYSA-N 0 3 305.309 1.599 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@H](O)[C@@H](CO)C3)ccc2O1 ZINC001249223233 893877733 /nfs/dbraw/zinc/87/77/33/893877733.db2.gz BXRFBSJJXRSWAR-HIFRSBDPSA-N 0 3 319.401 1.752 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@H](O)[C@@H](CO)C3)ccc2O1 ZINC001249223233 893877752 /nfs/dbraw/zinc/87/77/52/893877752.db2.gz BXRFBSJJXRSWAR-HIFRSBDPSA-N 0 3 319.401 1.752 20 10 DDCDHN COC[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC001254165414 896281238 /nfs/dbraw/zinc/28/12/38/896281238.db2.gz BPIONUCFHRASAY-GOSISDBHSA-N 0 3 319.449 1.286 20 10 DDCDHN CCOC(=O)C1CCC(O)(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000389243932 901311808 /nfs/dbraw/zinc/31/18/08/901311808.db2.gz ZUDCNWRMJIIJPQ-UHFFFAOYSA-N 0 3 307.390 1.966 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](C)C1)cc2=O ZINC000047274521 352488834 /nfs/dbraw/zinc/48/88/34/352488834.db2.gz VEPDNXMAGCVQNM-NSHDSACASA-N 0 3 318.377 1.844 20 10 DDCDHN Cc1ccc([O-])c(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000084962055 407096412 /nfs/dbraw/zinc/09/64/12/407096412.db2.gz OEIGNZSESLODCW-UHFFFAOYSA-N 0 3 324.446 1.747 20 10 DDCDHN C[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)NCc1ccco1 ZINC000111399372 407409554 /nfs/dbraw/zinc/40/95/54/407409554.db2.gz MNFSAZWMBVJORD-SNVBAGLBSA-N 0 3 318.329 1.508 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)C)c([O-])c1 ZINC000185971031 407553333 /nfs/dbraw/zinc/55/33/33/407553333.db2.gz CYDTUSURBLRYLO-LBPRGKRZSA-N 0 3 300.424 1.679 20 10 DDCDHN COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000278799713 409090757 /nfs/dbraw/zinc/09/07/57/409090757.db2.gz XKFQGOVIYZTSAU-RDJZCZTQSA-N 0 3 323.433 1.855 20 10 DDCDHN COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000278799713 409090759 /nfs/dbraw/zinc/09/07/59/409090759.db2.gz XKFQGOVIYZTSAU-RDJZCZTQSA-N 0 3 323.433 1.855 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000295019391 409308702 /nfs/dbraw/zinc/30/87/02/409308702.db2.gz KJMICSDRNUPMMF-MNOVXSKESA-N 0 3 316.423 1.379 20 10 DDCDHN CC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(C)cc1[O-] ZINC000290144061 409309358 /nfs/dbraw/zinc/30/93/58/409309358.db2.gz KWSLSEUFPPRFAP-CYBMUJFWSA-N 0 3 300.424 1.633 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCCN(CCCO)C1)OCO2 ZINC000295141102 409339514 /nfs/dbraw/zinc/33/95/14/409339514.db2.gz PWKUYZUHCPKAQR-CYBMUJFWSA-N 0 3 308.378 1.057 20 10 DDCDHN Cc1cccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] ZINC000373190917 418931395 /nfs/dbraw/zinc/93/13/95/418931395.db2.gz OZXMJAKFUITHHK-DYVFJYSZSA-N 0 3 317.389 1.511 20 10 DDCDHN COc1ccc(N(C)C(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)cc1F ZINC000662638883 424719536 /nfs/dbraw/zinc/71/95/36/424719536.db2.gz XNBXQPHRPOFCSE-SNVBAGLBSA-N 0 3 318.352 1.911 20 10 DDCDHN CC(C)NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000160903167 519708473 /nfs/dbraw/zinc/70/84/73/519708473.db2.gz CNHGMJZQPPOIGK-AWEZNQCLSA-N 0 3 305.422 1.698 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@H]3CCCCN3)CC2)cc1F ZINC000237268268 524417826 /nfs/dbraw/zinc/41/78/26/524417826.db2.gz ZHTOEQHQSRIZCF-OAHLLOKOSA-N 0 3 321.396 1.625 20 10 DDCDHN C[C@@H](NCCNC(=O)c1ccn[nH]1)c1ccc(N(C)C)cc1 ZINC000180215554 525450801 /nfs/dbraw/zinc/45/08/01/525450801.db2.gz KSXBVNLHTRWCTJ-GFCCVEGCSA-N 0 3 301.394 1.556 20 10 DDCDHN C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1[O-] ZINC000797117810 699994975 /nfs/dbraw/zinc/99/49/75/699994975.db2.gz NGUZKBCDRNVEGH-OLZOCXBDSA-N 0 3 312.435 1.857 20 10 DDCDHN C[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1[O-] ZINC000111236185 696642958 /nfs/dbraw/zinc/64/29/58/696642958.db2.gz VKHAEHVOMBKOAV-UHFFFAOYSA-N 0 3 320.414 1.714 20 10 DDCDHN C[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1[O-] ZINC000111236185 696642959 /nfs/dbraw/zinc/64/29/59/696642959.db2.gz VKHAEHVOMBKOAV-UHFFFAOYSA-N 0 3 320.414 1.714 20 10 DDCDHN COc1cc(O)c(CN(C)CCN2CCCC2=O)cc1OC ZINC000775691812 698023746 /nfs/dbraw/zinc/02/37/46/698023746.db2.gz SGHPKEKMQPYUQL-UHFFFAOYSA-N 0 3 308.378 1.464 20 10 DDCDHN CC(C)(CS(C)(=O)=O)NCc1cc2c(cc1O)OCO2 ZINC000391383279 699098229 /nfs/dbraw/zinc/09/82/29/699098229.db2.gz ADBWOUBQSUKZQR-UHFFFAOYSA-N 0 3 301.364 1.034 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000729049031 699465336 /nfs/dbraw/zinc/46/53/36/699465336.db2.gz BGIYHABKWDOKTE-VXGBXAGGSA-N 0 3 307.394 1.855 20 10 DDCDHN COCCOC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768445825 701177598 /nfs/dbraw/zinc/17/75/98/701177598.db2.gz ILEXAOPONDWSBB-MRXNPFEDSA-N 0 3 323.389 1.445 20 10 DDCDHN CCOc1ccc(CN2CCN(CCCCO)CC2)c(O)c1 ZINC000769395883 701243545 /nfs/dbraw/zinc/24/35/45/701243545.db2.gz RCQPTXLIAGWRIC-UHFFFAOYSA-N 0 3 308.422 1.681 20 10 DDCDHN CN(C[C@@H]1CCCN(C(=O)CN)C1)c1ccc2c(c1)OCO2 ZINC000841011054 702309380 /nfs/dbraw/zinc/30/93/80/702309380.db2.gz BINDTPHIXSFIKQ-LBPRGKRZSA-N 0 3 305.378 1.049 20 10 DDCDHN COc1cc(O)c(CN[C@@H]2CCN(C(C)(C)C)C2=O)cc1OC ZINC000843415280 702876668 /nfs/dbraw/zinc/87/66/68/702876668.db2.gz ICDKWPWANWYYCV-GFCCVEGCSA-N 0 3 322.405 1.898 20 10 DDCDHN COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000843435608 702881988 /nfs/dbraw/zinc/88/19/88/702881988.db2.gz WJTUTWZHMMISTL-DGCLKSJQSA-N 0 3 313.781 1.710 20 10 DDCDHN C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cc(F)ccc1[O-] ZINC000866571232 706732023 /nfs/dbraw/zinc/73/20/23/706732023.db2.gz BCQKUOIBXWYBPO-VIFPVBQESA-N 0 3 304.387 1.497 20 10 DDCDHN CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccccc1[O-] ZINC000866571251 706732073 /nfs/dbraw/zinc/73/20/73/706732073.db2.gz BUHLZYXTDORWDU-GFCCVEGCSA-N 0 3 300.424 1.748 20 10 DDCDHN C[C@@H]([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1ccccc1[O-] ZINC000879649404 706749382 /nfs/dbraw/zinc/74/93/82/706749382.db2.gz QVTUHKVRACYMLM-DOMZBBRYSA-N 0 3 304.390 1.680 20 10 DDCDHN CCc1cccc(CN2CCC[C@@H](NS(C)(=O)=O)C2)c1O ZINC000848882339 703597792 /nfs/dbraw/zinc/59/77/92/703597792.db2.gz ZHWHJQGGXHFLKW-CQSZACIVSA-N 0 3 312.435 1.468 20 10 DDCDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](C)N1CCO ZINC000824925862 705559531 /nfs/dbraw/zinc/55/95/31/705559531.db2.gz GMWGNPYBKKQDGU-OKILXGFUSA-N 0 3 309.429 1.779 20 10 DDCDHN CNC(=O)[C@H]1CCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876619626 705786863 /nfs/dbraw/zinc/78/68/63/705786863.db2.gz AESIEMOFJAEYLD-QGZVFWFLSA-N 0 3 317.433 1.358 20 10 DDCDHN CNC(=O)CCOC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876800509 705882051 /nfs/dbraw/zinc/88/20/51/705882051.db2.gz RNEYHRQYZMHPOQ-UHFFFAOYSA-N 0 3 306.406 1.818 20 10 DDCDHN C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877498300 706123552 /nfs/dbraw/zinc/12/35/52/706123552.db2.gz BBDSXQSLZGOLRQ-SUMWQHHRSA-N 0 3 317.433 1.262 20 10 DDCDHN COCCOCCN1CCN(Cc2ccc(C)cc2O)CC1 ZINC000877615367 706160351 /nfs/dbraw/zinc/16/03/51/706160351.db2.gz QCFBTTIICFMTSB-UHFFFAOYSA-N 0 3 308.422 1.481 20 10 DDCDHN COc1ccc(O)c(CNC[C@H](n2cncn2)C(F)(F)F)c1 ZINC000877674858 706176606 /nfs/dbraw/zinc/17/66/06/706176606.db2.gz NWXFQIUJXYCPIP-LBPRGKRZSA-N 0 3 316.283 1.886 20 10 DDCDHN C[C@@H]([NH2+]CCN(C)CCOCCO)c1cc(F)ccc1[O-] ZINC000883350773 707982729 /nfs/dbraw/zinc/98/27/29/707982729.db2.gz OTINLOOBOOBCDC-GFCCVEGCSA-N 0 3 300.374 1.123 20 10 DDCDHN C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cc(F)ccc1[O-] ZINC000886737041 708829446 /nfs/dbraw/zinc/82/94/46/708829446.db2.gz QLBQRCDHBOFPMX-JTQLQIEISA-N 0 3 316.398 1.606 20 10 DDCDHN CC(C)(C)N1CC[C@](F)(C(=O)NCc2ccc(O)cc2O)C1 ZINC000910944110 710126332 /nfs/dbraw/zinc/12/63/32/710126332.db2.gz KUTYSFOWCNSCRL-MRXNPFEDSA-N 0 3 310.369 1.927 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H](O)C(C)(C)C)N(C)C)cc1 ZINC000891250156 710141835 /nfs/dbraw/zinc/14/18/35/710141835.db2.gz ZSHOKEQVKAYRDS-CVEARBPZSA-N 0 3 321.465 1.879 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCOC2)N(C)C)cc1 ZINC000891255710 710143576 /nfs/dbraw/zinc/14/35/76/710143576.db2.gz RIDQVHOOFJXLEG-GDBMZVCRSA-N 0 3 305.422 1.508 20 10 DDCDHN C[C@H](CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893105511 710555605 /nfs/dbraw/zinc/55/56/05/710555605.db2.gz UIUWACJLCJTCRV-CZUORRHYSA-N 0 3 322.453 1.425 20 10 DDCDHN COc1ccc(CNC[C@H]2CCCS2(=O)=O)c(O)c1OC ZINC000893176505 710567034 /nfs/dbraw/zinc/56/70/34/710567034.db2.gz UUNXZJFXMGDRDR-LLVKDONJSA-N 0 3 315.391 1.076 20 10 DDCDHN COc1cc(C)cc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000894003371 710920104 /nfs/dbraw/zinc/92/01/04/710920104.db2.gz WDBDAFRITLSJHK-HZPDHXFCSA-N 0 3 320.433 1.740 20 10 DDCDHN COc1ccc(CN[C@@H]2C(=O)NCC23CCOCC3)cc1C ZINC000895772984 711602947 /nfs/dbraw/zinc/60/29/47/711602947.db2.gz NQVSHCURWSKTJR-OAHLLOKOSA-N 0 3 304.390 1.388 20 10 DDCDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316936 711840544 /nfs/dbraw/zinc/84/05/44/711840544.db2.gz BGUNPKOITNQTMM-GSJFWJNXSA-N 0 3 312.797 1.758 20 10 DDCDHN COCC(COC)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000929185844 713563182 /nfs/dbraw/zinc/56/31/82/713563182.db2.gz SWQRLWJHCBLQDI-UHFFFAOYSA-N 0 3 308.422 1.616 20 10 DDCDHN CN1CCN(c2ccc(CNc3cnc(CN)nc3)cc2)CC1 ZINC001167434141 733479216 /nfs/dbraw/zinc/47/92/16/733479216.db2.gz DPLGYIWKEMHWEU-UHFFFAOYSA-N 0 3 312.421 1.299 20 10 DDCDHN C[C@H]1OCC[C@]1(O)CNCc1cc(F)c(N(C)C)cc1F ZINC001328701720 863155980 /nfs/dbraw/zinc/15/59/80/863155980.db2.gz FTYWETWMVFXJPT-BMIGLBTASA-N 0 3 300.349 1.660 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])CC[C@@H]21 ZINC001140063279 860567425 /nfs/dbraw/zinc/56/74/25/860567425.db2.gz PUBBNBAXTZUGIE-RDJZCZTQSA-N 0 3 322.380 1.743 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])CC[C@@H]21 ZINC001140063279 860567431 /nfs/dbraw/zinc/56/74/31/860567431.db2.gz PUBBNBAXTZUGIE-RDJZCZTQSA-N 0 3 322.380 1.743 20 10 DDCDHN CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccc(C)cc3[O-])C[C@H]21 ZINC001140952452 860745345 /nfs/dbraw/zinc/74/53/45/860745345.db2.gz SHGCAMZWYQBHTF-HLLBOEOZSA-N 0 3 318.417 1.674 20 10 DDCDHN CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccc(C)cc3[O-])C[C@H]21 ZINC001140952452 860745348 /nfs/dbraw/zinc/74/53/48/860745348.db2.gz SHGCAMZWYQBHTF-HLLBOEOZSA-N 0 3 318.417 1.674 20 10 DDCDHN CC(=O)N1CCC2(C1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204276253 871034255 /nfs/dbraw/zinc/03/42/55/871034255.db2.gz INXGVAPQEMKHSC-UHFFFAOYSA-N 0 3 304.390 1.932 20 10 DDCDHN COC(=O)CC[C@@H]1CCN(Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204346431 871069818 /nfs/dbraw/zinc/06/98/18/871069818.db2.gz PJYIROMJHWJQQW-LLVKDONJSA-N 0 3 309.362 1.882 20 10 DDCDHN COc1ccc(O)c(CNCc2cc(=O)n3ccccc3n2)c1 ZINC001206505789 872389746 /nfs/dbraw/zinc/38/97/46/872389746.db2.gz RFIIRIBSVUEKQQ-UHFFFAOYSA-N 0 3 311.341 1.699 20 10 DDCDHN COC(=O)c1c(CN2CC[C@@H](C(N)=O)C2)c2ccccc2n1C ZINC001232407333 886340371 /nfs/dbraw/zinc/34/03/71/886340371.db2.gz NGNPUIZMNCHVSC-LLVKDONJSA-N 0 3 315.373 1.272 20 10 DDCDHN CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485101 887017336 /nfs/dbraw/zinc/01/73/36/887017336.db2.gz IVZDAHIYJKQJSF-SNVBAGLBSA-N 0 3 309.362 1.967 20 10 DDCDHN CCN1CCN(c2ccc(OC(COC)COC)cc2)CC1 ZINC001234657928 888172612 /nfs/dbraw/zinc/17/26/12/888172612.db2.gz MSNCYGCILMUCPY-UHFFFAOYSA-N 0 3 308.422 1.869 20 10 DDCDHN COc1cc([O-])c(CN2C[C@H]3C[NH2+]C[C@@H]32)c(Br)c1 ZINC001236296504 889169663 /nfs/dbraw/zinc/16/96/63/889169663.db2.gz QZTDUNWAVFANKI-PELKAZGASA-N 0 3 313.195 1.567 20 10 DDCDHN CN1CCN(c2ccc(CN3CC4(C3)CCOC4)c(F)c2)CC1 ZINC001236931225 889427365 /nfs/dbraw/zinc/42/73/65/889427365.db2.gz HOMCWPUUCWZBSQ-UHFFFAOYSA-N 0 3 319.424 1.800 20 10 DDCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001237640845 889776506 /nfs/dbraw/zinc/77/65/06/889776506.db2.gz GNONZVFIXLARKD-CRAIPNDOSA-N 0 3 317.360 1.983 20 10 DDCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001237640845 889776515 /nfs/dbraw/zinc/77/65/15/889776515.db2.gz GNONZVFIXLARKD-CRAIPNDOSA-N 0 3 317.360 1.983 20 10 DDCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001237640849 889777780 /nfs/dbraw/zinc/77/77/80/889777780.db2.gz GNONZVFIXLARKD-YJBOKZPZSA-N 0 3 317.360 1.983 20 10 DDCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001237640849 889777787 /nfs/dbraw/zinc/77/77/87/889777787.db2.gz GNONZVFIXLARKD-YJBOKZPZSA-N 0 3 317.360 1.983 20 10 DDCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249201488 893863162 /nfs/dbraw/zinc/86/31/62/893863162.db2.gz UYCPSJQGFLFBOS-AWEZNQCLSA-N 0 3 321.373 1.493 20 10 DDCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(CC(=O)OC)cc2[O-])C1 ZINC001249201488 893863182 /nfs/dbraw/zinc/86/31/82/893863182.db2.gz UYCPSJQGFLFBOS-AWEZNQCLSA-N 0 3 321.373 1.493 20 10 DDCDHN COC(=O)Cc1ccc(C[NH+]2CC3(C2)CCOCC3)c([O-])c1 ZINC001249192860 893863386 /nfs/dbraw/zinc/86/33/86/893863386.db2.gz FUICOLRIFOIRMH-UHFFFAOYSA-N 0 3 305.374 1.720 20 10 DDCDHN CCOC(=O)CN1CCC([N@H+](C)Cc2ccccc2[O-])CC1 ZINC001254410692 896428738 /nfs/dbraw/zinc/42/87/38/896428738.db2.gz BDYLRXQTCKZTJU-UHFFFAOYSA-N 0 3 306.406 1.852 20 10 DDCDHN CCOC(=O)CN1CCC([N@@H+](C)Cc2ccccc2[O-])CC1 ZINC001254410692 896428741 /nfs/dbraw/zinc/42/87/41/896428741.db2.gz BDYLRXQTCKZTJU-UHFFFAOYSA-N 0 3 306.406 1.852 20 10 DDCDHN CN(C)[C@@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCSC1 ZINC000272675107 130052536 /nfs/dbraw/zinc/05/25/36/130052536.db2.gz QYGFMPIYMWUSKS-MQDFFIGUSA-N 0 3 322.430 1.665 20 10 DDCDHN CCN(CCNC(=O)NCc1cccc(OC)c1O)C1CC1 ZINC000074053419 406900634 /nfs/dbraw/zinc/90/06/34/406900634.db2.gz VVGWBDXPSXCKKV-UHFFFAOYSA-N 0 3 307.394 1.684 20 10 DDCDHN Cc1ccc(O)c(CN2CCCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000271060509 407492578 /nfs/dbraw/zinc/49/25/78/407492578.db2.gz GHMGZVACEVJDNB-CQSZACIVSA-N 0 3 312.435 1.604 20 10 DDCDHN COc1cccc(C[NH2+][C@@H](C)CCN2CCN(C)CC2)c1[O-] ZINC000185868034 407523853 /nfs/dbraw/zinc/52/38/53/407523853.db2.gz BRHVPGCIAQDXHT-AWEZNQCLSA-N 0 3 307.438 1.516 20 10 DDCDHN C[C@H]1CN(CCCNC(=O)NCc2ccccc2O)CCCO1 ZINC000277405722 408934042 /nfs/dbraw/zinc/93/40/42/408934042.db2.gz LJMMVKFDJVLOQP-AWEZNQCLSA-N 0 3 321.421 1.692 20 10 DDCDHN NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000377636334 418712295 /nfs/dbraw/zinc/71/22/95/418712295.db2.gz GSWHIZMBOMTUPH-AWEZNQCLSA-N 0 3 311.385 1.860 20 10 DDCDHN Cc1cccc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c1[O-] ZINC000368589790 418722092 /nfs/dbraw/zinc/72/20/92/418722092.db2.gz JLXDHTMFCNOZFE-GOSISDBHSA-N 0 3 320.433 1.672 20 10 DDCDHN C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccccc1[O-] ZINC000362238761 418751292 /nfs/dbraw/zinc/75/12/92/418751292.db2.gz OGKBLAJJDVSJCS-WFASDCNBSA-N 0 3 304.390 1.823 20 10 DDCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000368601237 418723515 /nfs/dbraw/zinc/72/35/15/418723515.db2.gz JSKXTRDGQOYCCF-NVXWUHKLSA-N 0 3 303.450 1.850 20 10 DDCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000368601237 418723517 /nfs/dbraw/zinc/72/35/17/418723517.db2.gz JSKXTRDGQOYCCF-NVXWUHKLSA-N 0 3 303.450 1.850 20 10 DDCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc2c(cc1O)OCO2 ZINC000368976634 418728098 /nfs/dbraw/zinc/72/80/98/418728098.db2.gz XXNVMHYLQGHNAJ-OSQNNJELSA-N 0 3 304.346 1.207 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 ZINC000373215656 418932698 /nfs/dbraw/zinc/93/26/98/418932698.db2.gz JOEJRTDGWVPILA-SWLSCSKDSA-N 0 3 304.390 1.891 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 ZINC000373215656 418932699 /nfs/dbraw/zinc/93/26/99/418932699.db2.gz JOEJRTDGWVPILA-SWLSCSKDSA-N 0 3 304.390 1.891 20 10 DDCDHN CCOc1ccc([O-])c(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1 ZINC000529668297 421551266 /nfs/dbraw/zinc/55/12/66/421551266.db2.gz IJNUFXNWXSSLRM-CALCHBBNSA-N 0 3 309.406 1.604 20 10 DDCDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1 ZINC000529668297 421551269 /nfs/dbraw/zinc/55/12/69/421551269.db2.gz IJNUFXNWXSSLRM-CALCHBBNSA-N 0 3 309.406 1.604 20 10 DDCDHN CCOc1ccc(O)c(CN2C[C@](C)(CO)[C@](C)(CO)C2)c1 ZINC000529668297 421551270 /nfs/dbraw/zinc/55/12/70/421551270.db2.gz IJNUFXNWXSSLRM-CALCHBBNSA-N 0 3 309.406 1.604 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1 ZINC000289665115 274114828 /nfs/dbraw/zinc/11/48/28/274114828.db2.gz NJGZDAIYFSSXLT-UKRRQHHQSA-N 0 3 306.406 1.696 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1 ZINC000289665115 274114829 /nfs/dbraw/zinc/11/48/29/274114829.db2.gz NJGZDAIYFSSXLT-UKRRQHHQSA-N 0 3 306.406 1.696 20 10 DDCDHN C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccccc1[O-] ZINC000527944664 307522936 /nfs/dbraw/zinc/52/29/36/307522936.db2.gz AXWDFBRPQMGBBT-RDTXWAMCSA-N 0 3 320.433 1.659 20 10 DDCDHN COC[C@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268928969 522804645 /nfs/dbraw/zinc/80/46/45/522804645.db2.gz QNLVWCUBZFJZOK-GXTWGEPZSA-N 0 3 312.385 1.320 20 10 DDCDHN CC(=O)N1CCN(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000273388957 534793170 /nfs/dbraw/zinc/79/31/70/534793170.db2.gz KGGXCJJTLVOVRH-LBPRGKRZSA-N 0 3 309.385 1.346 20 10 DDCDHN COc1ccc(O)c(CN2CCN(CC(C)(C)O)C[C@H]2C)c1 ZINC000188740274 524742360 /nfs/dbraw/zinc/74/23/60/524742360.db2.gz UMVHVXIJSGIVTC-CYBMUJFWSA-N 0 3 308.422 1.678 20 10 DDCDHN C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1[O-] ZINC000797117813 699994923 /nfs/dbraw/zinc/99/49/23/699994923.db2.gz NGUZKBCDRNVEGH-QWHCGFSZSA-N 0 3 312.435 1.857 20 10 DDCDHN C[C@@H](CNC(=O)NCc1ccccc1O)CN1CCN(C)CC1 ZINC000745789856 699994042 /nfs/dbraw/zinc/99/40/42/699994042.db2.gz REXTZYRRLNGFSQ-AWEZNQCLSA-N 0 3 320.437 1.075 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCNC(=O)CC3)c2c1 ZINC000044781353 696168317 /nfs/dbraw/zinc/16/83/17/696168317.db2.gz XEUMZDNBWQWOQE-UHFFFAOYSA-N 0 3 300.358 1.876 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCNC(=O)CC3)c2c1 ZINC000044781353 696168321 /nfs/dbraw/zinc/16/83/21/696168321.db2.gz XEUMZDNBWQWOQE-UHFFFAOYSA-N 0 3 300.358 1.876 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCc2ccco2)c1 ZINC000182314665 697473442 /nfs/dbraw/zinc/47/34/42/697473442.db2.gz PARDBSVHUZXLAF-LLVKDONJSA-N 0 3 304.346 1.961 20 10 DDCDHN COc1cc(Cl)cc(CN[C@H]2CCCS(=O)(=O)C2)c1O ZINC000228675290 697775484 /nfs/dbraw/zinc/77/54/84/697775484.db2.gz JLBJRUGJXZDZPT-NSHDSACASA-N 0 3 319.810 1.721 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000228675290 697775485 /nfs/dbraw/zinc/77/54/85/697775485.db2.gz JLBJRUGJXZDZPT-NSHDSACASA-N 0 3 319.810 1.721 20 10 DDCDHN CCOCc1cc(CN[C@@]2(CCO)CCOC2)ccc1OC ZINC000775031134 697956323 /nfs/dbraw/zinc/95/63/23/697956323.db2.gz YPWHTYJXIMILIU-KRWDZBQOSA-N 0 3 309.406 1.863 20 10 DDCDHN CCN(CC(=O)NC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775653005 698020029 /nfs/dbraw/zinc/02/00/29/698020029.db2.gz ZELBUUFYIKCIGE-UHFFFAOYSA-N 0 3 304.438 1.006 20 10 DDCDHN CN1CCN(c2ccc(CN3CCc4c[nH]nc4C3)cc2)CC1 ZINC000775714599 698025153 /nfs/dbraw/zinc/02/51/53/698025153.db2.gz UNEPTYGGUITWJN-UHFFFAOYSA-N 0 3 311.433 1.720 20 10 DDCDHN C[C@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccc(N(C)C)cc1 ZINC000775833506 698042601 /nfs/dbraw/zinc/04/26/01/698042601.db2.gz KFZDIKIWTPJJSL-LBPRGKRZSA-N 0 3 316.405 1.001 20 10 DDCDHN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CN2CCC1CC2 ZINC000779515811 698429567 /nfs/dbraw/zinc/42/95/67/698429567.db2.gz CEBPNIVVVVKHCG-KQIUPUNMSA-N 0 3 302.374 1.664 20 10 DDCDHN CCNC(=O)C(C)(C)NCc1ccc(N2CCOCC2)cc1 ZINC000312882551 698680015 /nfs/dbraw/zinc/68/00/15/698680015.db2.gz WLJJTGKQEQQYMS-UHFFFAOYSA-N 0 3 305.422 1.528 20 10 DDCDHN CN(C)C[C@H]1CN(C(=O)/C=C\c2cnccn2)c2ccccc2O1 ZINC000760816366 700824698 /nfs/dbraw/zinc/82/46/98/700824698.db2.gz CTBKEUUFXPXGGI-LZNQSLFOSA-N 0 3 324.384 1.846 20 10 DDCDHN O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc([O-])cs1 ZINC000764833248 700987820 /nfs/dbraw/zinc/98/78/20/700987820.db2.gz OTEXLHRFLZKIOD-UONOGXRCSA-N 0 3 324.446 1.951 20 10 DDCDHN CC(C)(C)OC(=O)NCCN(CCO)Cc1ccccc1O ZINC000768531970 701184994 /nfs/dbraw/zinc/18/49/94/701184994.db2.gz IZAGLZUEXXTCER-UHFFFAOYSA-N 0 3 310.394 1.711 20 10 DDCDHN CCS(=O)(=O)CCCNCc1ccc(N(C)C)c(F)c1 ZINC000840973791 702298290 /nfs/dbraw/zinc/29/82/90/702298290.db2.gz UVKHBJJNXPKPHC-UHFFFAOYSA-N 0 3 302.415 1.806 20 10 DDCDHN COc1cc(O)c(CN2C[C@@H](C)N(CCO)C[C@@H]2C)cc1OC ZINC000841890511 702607444 /nfs/dbraw/zinc/60/74/44/702607444.db2.gz BYZCFRLESXVPSS-OLZOCXBDSA-N 0 3 324.421 1.296 20 10 DDCDHN CCc1cccc(CN2CN(CCN(C)C)C(=O)[C@@H]2C)c1O ZINC000848919098 703603590 /nfs/dbraw/zinc/60/35/90/703603590.db2.gz FBJJJSGJEPLKQT-ZDUSSCGKSA-N 0 3 305.422 1.506 20 10 DDCDHN CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000852653680 704093681 /nfs/dbraw/zinc/09/36/81/704093681.db2.gz YMOFLTDBZPAGBO-MRXNPFEDSA-N 0 3 304.438 1.940 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@H](N)CC(F)F)C2)cc1 ZINC000852844032 704145169 /nfs/dbraw/zinc/14/51/69/704145169.db2.gz NNFFCPCMDBIMDQ-ZWNOBZJWSA-N 0 3 313.348 1.373 20 10 DDCDHN O=C1CCC2=C(CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)N1 ZINC000853519637 704257900 /nfs/dbraw/zinc/25/79/00/704257900.db2.gz GZSKUFZDIYBJEZ-HNNXBMFYSA-N 0 3 316.357 1.188 20 10 DDCDHN O=C1CCC2=C(CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)N1 ZINC000853519637 704257903 /nfs/dbraw/zinc/25/79/03/704257903.db2.gz GZSKUFZDIYBJEZ-HNNXBMFYSA-N 0 3 316.357 1.188 20 10 DDCDHN O=C1CCC2=C(CCN(Cc3cc4c(cc3O)OC[C@@H]4O)C2)N1 ZINC000853519637 704257906 /nfs/dbraw/zinc/25/79/06/704257906.db2.gz GZSKUFZDIYBJEZ-HNNXBMFYSA-N 0 3 316.357 1.188 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c1[O-] ZINC000862482760 705721365 /nfs/dbraw/zinc/72/13/65/705721365.db2.gz BHWDAWQRHWZCHX-JLIMDTESSA-N 0 3 313.195 1.817 20 10 DDCDHN COc1ccc(N2CCN(C[C@H]3CCc4ncnn43)CC2)cc1 ZINC000877912459 706240045 /nfs/dbraw/zinc/24/00/45/706240045.db2.gz VRHMXNKUFNHOEV-OAHLLOKOSA-N 0 3 313.405 1.596 20 10 DDCDHN COc1ccc(CN[C@@H]2COCC[C@H]2O)cc1Cn1cccn1 ZINC000873148509 707749417 /nfs/dbraw/zinc/74/94/17/707749417.db2.gz CRVOHNHBKKDFGM-HZPDHXFCSA-N 0 3 317.389 1.179 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCc3nnn(C)c3C2)c1[O-] ZINC000897347976 708300816 /nfs/dbraw/zinc/30/08/16/708300816.db2.gz YMRJINRWMBMANQ-NSHDSACASA-N 0 3 322.796 1.830 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]([C@H]3CCCO3)C1)[C@H](O)CO2 ZINC000884481582 708312855 /nfs/dbraw/zinc/31/28/55/708312855.db2.gz NBRJFWJWAHFCCG-IUIKQTSFSA-N 0 3 305.374 1.819 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]([C@H]3CCCO3)C1)[C@H](O)CO2 ZINC000884481582 708312858 /nfs/dbraw/zinc/31/28/58/708312858.db2.gz NBRJFWJWAHFCCG-IUIKQTSFSA-N 0 3 305.374 1.819 20 10 DDCDHN O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3ccccc3[O-])C2)c1Cl ZINC000898364837 708623920 /nfs/dbraw/zinc/62/39/20/708623920.db2.gz QLWOSIIMVYCYJX-LLVKDONJSA-N 0 3 320.780 1.910 20 10 DDCDHN CN(C)c1ccc(CNCC2(S(=O)(=O)N(C)C)CC2)cc1 ZINC000886322103 708742661 /nfs/dbraw/zinc/74/26/61/708742661.db2.gz MHCKLCPWGVIEQW-UHFFFAOYSA-N 0 3 311.451 1.266 20 10 DDCDHN COCCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102497 708983771 /nfs/dbraw/zinc/98/37/71/708983771.db2.gz QAXUHHXVRJGRME-INIZCTEOSA-N 0 3 322.453 1.643 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2=COCC2)N(C)C)cc1 ZINC000891251538 710141974 /nfs/dbraw/zinc/14/19/74/710141974.db2.gz GEKRAGMNTBSPCQ-MRXNPFEDSA-N 0 3 303.406 1.776 20 10 DDCDHN COc1cc(C)cc(CN2CCN(CCO)C(C)(C)C2)c1O ZINC000894530332 711166829 /nfs/dbraw/zinc/16/68/29/711166829.db2.gz GZXZRKPOPCIHKG-UHFFFAOYSA-N 0 3 308.422 1.598 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)O[C@@H]2CCOC2)N(C)C)cc1 ZINC000908459297 712779078 /nfs/dbraw/zinc/77/90/78/712779078.db2.gz FINOWHFGXZQVSY-CVEARBPZSA-N 0 3 321.421 1.870 20 10 DDCDHN C[C@H]1[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CCN1C ZINC000915367077 713417475 /nfs/dbraw/zinc/41/74/75/713417475.db2.gz VHHHYZXEKKYMRL-SMDDNHRTSA-N 0 3 308.401 1.784 20 10 DDCDHN C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000921435034 713769529 /nfs/dbraw/zinc/76/95/29/713769529.db2.gz TXAZPDPNDNGANA-IINYFYTJSA-N 0 3 307.369 1.813 20 10 DDCDHN C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000921435034 713769530 /nfs/dbraw/zinc/76/95/30/713769530.db2.gz TXAZPDPNDNGANA-IINYFYTJSA-N 0 3 307.369 1.813 20 10 DDCDHN C[C@@H](NC(=O)NCc1c([O-])cccc1F)C1=CC[N@H+](C)CC1 ZINC000921881418 713895693 /nfs/dbraw/zinc/89/56/93/713895693.db2.gz PZLILROQDSJMBR-LLVKDONJSA-N 0 3 307.369 1.981 20 10 DDCDHN C[C@@H](NC(=O)NCc1c([O-])cccc1F)C1=CC[N@@H+](C)CC1 ZINC000921881418 713895695 /nfs/dbraw/zinc/89/56/95/713895695.db2.gz PZLILROQDSJMBR-LLVKDONJSA-N 0 3 307.369 1.981 20 10 DDCDHN COc1cc(Br)cc(CN2C[C@@H](F)[C@@H](N)C2)c1O ZINC001204820887 741614635 /nfs/dbraw/zinc/61/46/35/741614635.db2.gz VQWDDNMZOHSFCO-ZJUUUORDSA-N 0 3 319.174 1.644 20 10 DDCDHN O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(O)c([O-])c(O)c1 ZINC001148590037 773541208 /nfs/dbraw/zinc/54/12/08/773541208.db2.gz AAEUHIYAGRRTGP-GFCCVEGCSA-N 0 3 320.389 1.940 20 10 DDCDHN O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc(O)c([O-])c(O)c1 ZINC001148590037 773541209 /nfs/dbraw/zinc/54/12/09/773541209.db2.gz AAEUHIYAGRRTGP-GFCCVEGCSA-N 0 3 320.389 1.940 20 10 DDCDHN COc1cc(Cl)cc(CNC[C@H](C)S(C)(=O)=O)c1O ZINC000697621132 779668935 /nfs/dbraw/zinc/66/89/35/779668935.db2.gz RFRVNJJYOBPTHE-QMMMGPOBSA-N 0 3 307.799 1.577 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](C)S(C)(=O)=O)c1[O-] ZINC000697621132 779668939 /nfs/dbraw/zinc/66/89/39/779668939.db2.gz RFRVNJJYOBPTHE-QMMMGPOBSA-N 0 3 307.799 1.577 20 10 DDCDHN CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272988198 847749355 /nfs/dbraw/zinc/74/93/55/847749355.db2.gz NZXNFTIGLKBFNY-MRXNPFEDSA-N 0 3 304.346 1.069 20 10 DDCDHN CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001272988198 847749362 /nfs/dbraw/zinc/74/93/62/847749362.db2.gz NZXNFTIGLKBFNY-MRXNPFEDSA-N 0 3 304.346 1.069 20 10 DDCDHN CN1CC[C@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])CC2)C1=O ZINC001272988972 847750024 /nfs/dbraw/zinc/75/00/24/847750024.db2.gz XDUSPAPGVJAVIX-KRWDZBQOSA-N 0 3 304.390 1.932 20 10 DDCDHN CN1CC[C@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])CC2)C1=O ZINC001272988972 847750035 /nfs/dbraw/zinc/75/00/35/847750035.db2.gz XDUSPAPGVJAVIX-KRWDZBQOSA-N 0 3 304.390 1.932 20 10 DDCDHN CCOC(=O)c1cc(CNCc2cccc(OC)c2O)[nH]n1 ZINC001327106123 861887684 /nfs/dbraw/zinc/88/76/84/861887684.db2.gz ZHDZUKDVISRMEU-UHFFFAOYSA-N 0 3 305.334 1.590 20 10 DDCDHN CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c([O-])c1 ZINC001274657176 852494061 /nfs/dbraw/zinc/49/40/61/852494061.db2.gz UYTYJKJCMHHBCO-KRWDZBQOSA-N 0 3 304.390 1.388 20 10 DDCDHN CCc1ccc(C[N@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c([O-])c1 ZINC001274657176 852494066 /nfs/dbraw/zinc/49/40/66/852494066.db2.gz UYTYJKJCMHHBCO-KRWDZBQOSA-N 0 3 304.390 1.388 20 10 DDCDHN COc1cc([O-])c(CN2CC(C)(C[NH3+])C2)c(Br)c1 ZINC001206738156 860475003 /nfs/dbraw/zinc/47/50/03/860475003.db2.gz WDKWVYKTOQBNRF-UHFFFAOYSA-N 0 3 315.211 1.944 20 10 DDCDHN CN(C)c1ccc(CN2CC[C@H]3CNC(=O)[C@H]3C2)c(Cl)c1 ZINC001140925120 860733113 /nfs/dbraw/zinc/73/31/13/860733113.db2.gz OATMRIRRMWLNBG-FZMZJTMJSA-N 0 3 307.825 1.974 20 10 DDCDHN CCS(=O)(=O)CCN[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001335413888 868281009 /nfs/dbraw/zinc/28/10/09/868281009.db2.gz RZNGONHOHVIRFM-CYBMUJFWSA-N 0 3 312.435 1.298 20 10 DDCDHN C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@@H]2C1 ZINC001336970872 869240131 /nfs/dbraw/zinc/24/01/31/869240131.db2.gz JQEGDSDATMVALM-RWMBFGLXSA-N 0 3 304.390 1.900 20 10 DDCDHN O=C1[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]2CN1Cc1ccncc1 ZINC001203552326 870637173 /nfs/dbraw/zinc/63/71/73/870637173.db2.gz JXMSRLPDNWDCOD-IRXDYDNUSA-N 0 3 323.396 1.878 20 10 DDCDHN O=C1[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]2CN1Cc1ccncc1 ZINC001203552326 870637182 /nfs/dbraw/zinc/63/71/82/870637182.db2.gz JXMSRLPDNWDCOD-IRXDYDNUSA-N 0 3 323.396 1.878 20 10 DDCDHN C[C@]1(CO)CN(Cc2ccc(N3CCCC3)cc2)CC[C@H]1O ZINC001204323075 871052263 /nfs/dbraw/zinc/05/22/63/871052263.db2.gz DDSPFZUCAVZYFR-QZTJIDSGSA-N 0 3 304.434 1.852 20 10 DDCDHN NC(=O)COc1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC001308294399 871490519 /nfs/dbraw/zinc/49/05/19/871490519.db2.gz CRVDRYJCKAVQIR-UHFFFAOYSA-N 0 3 312.369 1.775 20 10 DDCDHN O=C(N1CC=CC1)C12CC([NH2+]Cc3ccc(O)cc3[O-])(C1)C2 ZINC001277197113 882957264 /nfs/dbraw/zinc/95/72/64/882957264.db2.gz WRVRGDFLMZFUKF-UHFFFAOYSA-N 0 3 300.358 1.509 20 10 DDCDHN CCOC(=O)[C@H]1CNCCN1Cc1cc(Cl)c(C)cc1O ZINC001211362677 875773028 /nfs/dbraw/zinc/77/30/28/875773028.db2.gz PMVGTMRWUHVNKZ-CYBMUJFWSA-N 0 3 312.797 1.691 20 10 DDCDHN CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NCc1ccccc1O ZINC001219923103 878598141 /nfs/dbraw/zinc/59/81/41/878598141.db2.gz BLWPFNDVGVQYJQ-GFCCVEGCSA-N 0 3 308.378 1.458 20 10 DDCDHN COc1ccc(N2CC[C@H](NC[C@@H](O)C(F)(F)F)C2)cc1 ZINC001356621595 879137087 /nfs/dbraw/zinc/13/70/87/879137087.db2.gz KNYSFXFDKZFVEV-GXFFZTMASA-N 0 3 304.312 1.787 20 10 DDCDHN O=C(Nc1nnco1)[C@@H]1CC12CN(Cc1ccccc1O)C2 ZINC001277442186 884299005 /nfs/dbraw/zinc/29/90/05/884299005.db2.gz SLLWZKLKNDFCNN-NSHDSACASA-N 0 3 300.318 1.236 20 10 DDCDHN COc1cc(CN2CCC(NC(=O)N(C)C)CC2)c(O)cc1O ZINC001231639788 885778185 /nfs/dbraw/zinc/77/81/85/885778185.db2.gz KGQFIMYKABOHQG-UHFFFAOYSA-N 0 3 323.393 1.342 20 10 DDCDHN COc1cc(CN2CC[C@@H](Oc3ncccn3)C2)c(O)cc1O ZINC001231639268 885779343 /nfs/dbraw/zinc/77/93/43/885779343.db2.gz HHKVVELBFHVNEV-GFCCVEGCSA-N 0 3 317.345 1.550 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](CO)[C@H](O)C3)c2c1 ZINC001234526527 888055177 /nfs/dbraw/zinc/05/51/77/888055177.db2.gz WTHISAZQGHVROO-SJKOYZFVSA-N 0 3 303.358 1.339 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](CO)[C@H](O)C3)c2c1 ZINC001234526527 888055191 /nfs/dbraw/zinc/05/51/91/888055191.db2.gz WTHISAZQGHVROO-SJKOYZFVSA-N 0 3 303.358 1.339 20 10 DDCDHN CCc1ccc(C[N@@H+]2C[C@H]3CN(CCOC)C(=O)[C@H]3C2)c([O-])c1 ZINC001236786480 889352482 /nfs/dbraw/zinc/35/24/82/889352482.db2.gz DUNZSFFSIDCUDR-HOTGVXAUSA-N 0 3 318.417 1.491 20 10 DDCDHN CCc1ccc(C[N@H+]2C[C@H]3CN(CCOC)C(=O)[C@H]3C2)c([O-])c1 ZINC001236786480 889352490 /nfs/dbraw/zinc/35/24/90/889352490.db2.gz DUNZSFFSIDCUDR-HOTGVXAUSA-N 0 3 318.417 1.491 20 10 DDCDHN CCOC(=O)C1CCC(O)(C[NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC001251072600 894623707 /nfs/dbraw/zinc/62/37/07/894623707.db2.gz KHUOOKQBRHMJEJ-UHFFFAOYSA-N 0 3 323.389 1.672 20 10 DDCDHN COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000092105630 353844920 /nfs/dbraw/zinc/84/49/20/353844920.db2.gz DBIHNKMCWGYSNB-ZIAGYGMSSA-N 0 3 304.390 1.891 20 10 DDCDHN COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000092105630 353844921 /nfs/dbraw/zinc/84/49/21/353844921.db2.gz DBIHNKMCWGYSNB-ZIAGYGMSSA-N 0 3 304.390 1.891 20 10 DDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1COC3(CCOCC3)O1)CC2 ZINC000296726440 285396948 /nfs/dbraw/zinc/39/69/48/285396948.db2.gz IUGQIIJMEJUMBH-KGLIPLIRSA-N 0 3 305.374 1.891 20 10 DDCDHN CN(C)c1ccc(CN2CCC(C(=O)NCCCO)CC2)cc1 ZINC000271055487 407490808 /nfs/dbraw/zinc/49/08/08/407490808.db2.gz SUOSLBRORYMXQA-UHFFFAOYSA-N 0 3 319.449 1.463 20 10 DDCDHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000186728530 407759204 /nfs/dbraw/zinc/75/92/04/407759204.db2.gz KKHIAIAJSDBJIF-YJBOKZPZSA-N 0 3 319.449 1.901 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](Cn3ccnn3)C1)OCO2 ZINC000154946153 408108417 /nfs/dbraw/zinc/10/84/17/408108417.db2.gz SADQYNUMSNGKGK-LBPRGKRZSA-N 0 3 316.361 1.625 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](Cn3ccnn3)C1)OCO2 ZINC000154946153 408108421 /nfs/dbraw/zinc/10/84/21/408108421.db2.gz SADQYNUMSNGKGK-LBPRGKRZSA-N 0 3 316.361 1.625 20 10 DDCDHN C[C@@H]1CN(c2ccc(CNC(=O)C3(N)CC3)cc2F)C[C@@H](C)O1 ZINC000269247815 408234269 /nfs/dbraw/zinc/23/42/69/408234269.db2.gz MZAWMZQTLDGIQT-VXGBXAGGSA-N 0 3 321.396 1.547 20 10 DDCDHN CCOc1ccc(O)c(CN(C)[C@@H](C)CN2CCOCC2)c1 ZINC000279339476 409195237 /nfs/dbraw/zinc/19/52/37/409195237.db2.gz DXXWPKRAWINKTP-AWEZNQCLSA-N 0 3 308.422 1.943 20 10 DDCDHN CCOc1ccc([O-])c(C[N@H+](C)[C@@H](C)CN2CCOCC2)c1 ZINC000279339476 409195239 /nfs/dbraw/zinc/19/52/39/409195239.db2.gz DXXWPKRAWINKTP-AWEZNQCLSA-N 0 3 308.422 1.943 20 10 DDCDHN CCOc1ccc([O-])c(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1 ZINC000279339476 409195242 /nfs/dbraw/zinc/19/52/42/409195242.db2.gz DXXWPKRAWINKTP-AWEZNQCLSA-N 0 3 308.422 1.943 20 10 DDCDHN Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289759203 409285972 /nfs/dbraw/zinc/28/59/72/409285972.db2.gz QXLJCBILMIFVRM-SUMWQHHRSA-N 0 3 317.389 1.653 20 10 DDCDHN Cc1cccc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289759203 409285973 /nfs/dbraw/zinc/28/59/73/409285973.db2.gz QXLJCBILMIFVRM-SUMWQHHRSA-N 0 3 317.389 1.653 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000295034636 409309017 /nfs/dbraw/zinc/30/90/17/409309017.db2.gz LZAQRBRZBWWXHP-ZDUSSCGKSA-N 0 3 300.424 1.426 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000296627425 409629897 /nfs/dbraw/zinc/62/98/97/409629897.db2.gz XFUBTVVZQQXHCE-OLZOCXBDSA-N 0 3 314.451 1.987 20 10 DDCDHN CN(CCN(C)C1CC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000302280426 410842218 /nfs/dbraw/zinc/84/22/18/410842218.db2.gz URTJUYVQGMEBCS-UHFFFAOYSA-N 0 3 320.349 1.456 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)cc1OC ZINC000367350778 418590003 /nfs/dbraw/zinc/59/00/03/418590003.db2.gz XHHNAORIWDMWAN-QWHCGFSZSA-N 0 3 320.389 1.652 20 10 DDCDHN COc1cc(O)c(CN[C@H]2CC(=O)N3CCCC[C@H]23)cc1OC ZINC000367350778 418590005 /nfs/dbraw/zinc/59/00/05/418590005.db2.gz XHHNAORIWDMWAN-QWHCGFSZSA-N 0 3 320.389 1.652 20 10 DDCDHN CN1CCN([C@@H]2CCCC[N@H+](Cc3ccccc3[O-])C2)CC1 ZINC000377691037 418713336 /nfs/dbraw/zinc/71/33/36/418713336.db2.gz HDYMAONVQNTRIR-QGZVFWFLSA-N 0 3 303.450 1.994 20 10 DDCDHN CN1CCN([C@@H]2CCCC[N@@H+](Cc3ccccc3[O-])C2)CC1 ZINC000377691037 418713337 /nfs/dbraw/zinc/71/33/37/418713337.db2.gz HDYMAONVQNTRIR-QGZVFWFLSA-N 0 3 303.450 1.994 20 10 DDCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1cc(F)ccc1[O-] ZINC000368318588 418719165 /nfs/dbraw/zinc/71/91/65/418719165.db2.gz NBZWGKDCIKIXRU-ZWNOBZJWSA-N 0 3 318.352 1.721 20 10 DDCDHN COc1ccc(O)c(CN[C@H]2CCN(c3ccn(C)n3)C2=O)c1 ZINC000362033554 418742937 /nfs/dbraw/zinc/74/29/37/418742937.db2.gz URMMLBFLCRHAKX-ZDUSSCGKSA-N 0 3 316.361 1.029 20 10 DDCDHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(OC)ccc1O ZINC000372280633 418851075 /nfs/dbraw/zinc/85/10/75/418851075.db2.gz FMOLOLLQUKKFKH-DZGCQCFKSA-N 0 3 323.389 1.943 20 10 DDCDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(OC)ccc1[O-] ZINC000372280633 418851078 /nfs/dbraw/zinc/85/10/78/418851078.db2.gz FMOLOLLQUKKFKH-DZGCQCFKSA-N 0 3 323.389 1.943 20 10 DDCDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(OC)ccc1[O-] ZINC000372280633 418851081 /nfs/dbraw/zinc/85/10/81/418851081.db2.gz FMOLOLLQUKKFKH-DZGCQCFKSA-N 0 3 323.389 1.943 20 10 DDCDHN COc1ccc([O-])c(C[NH+]2CCC(Cn3ccnn3)CC2)c1 ZINC000180781311 524739277 /nfs/dbraw/zinc/73/92/77/524739277.db2.gz BDWDBRLLVVCFEQ-UHFFFAOYSA-N 0 3 302.378 1.905 20 10 DDCDHN CCOc1cccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c1[O-] ZINC000368686345 528655059 /nfs/dbraw/zinc/65/50/59/528655059.db2.gz WEBWAMFTLWVEQT-HNNXBMFYSA-N 0 3 306.406 1.744 20 10 DDCDHN C[C@H]1CO[C@@H](CO)CN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775742628 698028232 /nfs/dbraw/zinc/02/82/32/698028232.db2.gz VTYQHIXOAIOFSL-MAUKXSAKSA-N 0 3 319.449 1.020 20 10 DDCDHN COC[C@@H](O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000305767101 698654939 /nfs/dbraw/zinc/65/49/39/698654939.db2.gz FPOHLCHRBVSQFS-NSHDSACASA-N 0 3 304.184 1.560 20 10 DDCDHN CCOC(=O)[C@H]1NCC[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000817900662 702513527 /nfs/dbraw/zinc/51/35/27/702513527.db2.gz UYDLREGGPJFMKQ-IRXDYDNUSA-N 0 3 317.433 1.670 20 10 DDCDHN C[C@H](NC(=O)NC[C@H]1CNCCO1)c1ccc(N(C)C)cc1 ZINC000841880706 702604934 /nfs/dbraw/zinc/60/49/34/702604934.db2.gz GMTKWMFCUPQVPZ-SWLSCSKDSA-N 0 3 306.410 1.101 20 10 DDCDHN COc1ccc(N(C)CCN(C)CCN2CCNC2=O)cc1 ZINC000844401150 703026382 /nfs/dbraw/zinc/02/63/82/703026382.db2.gz IGOHAPDYHCJHKZ-UHFFFAOYSA-N 0 3 306.410 1.088 20 10 DDCDHN O=C1OC[C@@]2(C[NH2+][C@@H]3CCc4cccc([O-])c43)COCCN12 ZINC000866521301 706720678 /nfs/dbraw/zinc/72/06/78/706720678.db2.gz LLMLDDAUSYCDBM-MLGOLLRUSA-N 0 3 304.346 1.190 20 10 DDCDHN CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000879651119 706749635 /nfs/dbraw/zinc/74/96/35/706749635.db2.gz JFGOOBRYCVYQSO-GXTWGEPZSA-N 0 3 319.405 1.170 20 10 DDCDHN COCCN1CC[C@@H](NCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858131191 704669047 /nfs/dbraw/zinc/66/90/47/704669047.db2.gz MXVUKBSFEUTQEG-CYBMUJFWSA-N 0 3 313.392 1.841 20 10 DDCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1[O-] ZINC000858489214 704717673 /nfs/dbraw/zinc/71/76/73/704717673.db2.gz WMNMVPARMOWPEH-QWHCGFSZSA-N 0 3 324.388 1.759 20 10 DDCDHN COCCN1CCC[C@@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875264885 705334999 /nfs/dbraw/zinc/33/49/99/705334999.db2.gz BFNLGICXIFHBHA-CQSZACIVSA-N 0 3 319.405 1.528 20 10 DDCDHN O=C(c1cc([O-])cs1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861986261 705625816 /nfs/dbraw/zinc/62/58/16/705625816.db2.gz KQHSGRYNNWSLFP-UHFFFAOYSA-N 0 3 310.419 1.781 20 10 DDCDHN O=C(c1cc([O-])cs1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000861986261 705625818 /nfs/dbraw/zinc/62/58/18/705625818.db2.gz KQHSGRYNNWSLFP-UHFFFAOYSA-N 0 3 310.419 1.781 20 10 DDCDHN O=C(C1=CC(=O)CS1)N1CCC(N2CCCOCC2)CC1 ZINC000861986261 705625820 /nfs/dbraw/zinc/62/58/20/705625820.db2.gz KQHSGRYNNWSLFP-UHFFFAOYSA-N 0 3 310.419 1.781 20 10 DDCDHN O=C1OC[C@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]12 ZINC000862545200 705729820 /nfs/dbraw/zinc/72/98/20/705729820.db2.gz KGAFUPGKFGRDNR-ZIAGYGMSSA-N 0 3 320.364 1.267 20 10 DDCDHN CN1CCN(c2ccc(CN3CCc4nccnc4C3)cc2)CC1 ZINC000827692475 706050923 /nfs/dbraw/zinc/05/09/23/706050923.db2.gz JGQNDTHHFVECLZ-UHFFFAOYSA-N 0 3 323.444 1.787 20 10 DDCDHN COc1ccc(O)c(CN2CCN(c3nccn3C)CC2)c1 ZINC000827885373 706081818 /nfs/dbraw/zinc/08/18/18/706081818.db2.gz ZCMWWWHZXKOEMU-UHFFFAOYSA-N 0 3 302.378 1.457 20 10 DDCDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(OC)cc2O)C1(C)C ZINC000832177644 706862050 /nfs/dbraw/zinc/86/20/50/706862050.db2.gz CTHDFEWRUFQQEP-WMLDXEAASA-N 0 3 322.405 1.550 20 10 DDCDHN CC[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000927021043 712931546 /nfs/dbraw/zinc/93/15/46/712931546.db2.gz ACOYYCPKYLZDHY-YPMHNXCESA-N 0 3 301.408 1.147 20 10 DDCDHN COC[C@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839144634 708030430 /nfs/dbraw/zinc/03/04/30/708030430.db2.gz ISJWUCHIOBJKFE-NSHDSACASA-N 0 3 300.349 1.926 20 10 DDCDHN COCC[C@H](N)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000884203112 708187736 /nfs/dbraw/zinc/18/77/36/708187736.db2.gz PHAABBIUZPFZGO-BBRMVZONSA-N 0 3 321.421 1.064 20 10 DDCDHN CSCc1nnc(C[NH2+]Cc2cc3c(cc2O)OCO3)[n-]1 ZINC000886327590 708744302 /nfs/dbraw/zinc/74/43/02/708744302.db2.gz MWUSIHVPAAEYPH-UHFFFAOYSA-N 0 3 308.363 1.392 20 10 DDCDHN COC(=O)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256283 710143933 /nfs/dbraw/zinc/14/39/33/710143933.db2.gz XCFFXQCBYHGHIH-CQSZACIVSA-N 0 3 307.394 1.035 20 10 DDCDHN COc1ccc(CN[C@H](C)C(=O)NC(C)(C)C)c(O)c1OC ZINC000892681743 710480959 /nfs/dbraw/zinc/48/09/59/710480959.db2.gz NMONNVUNVQXDLD-SNVBAGLBSA-N 0 3 310.394 1.802 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2nccn2C)N(C)C)cc1 ZINC000903044801 711013642 /nfs/dbraw/zinc/01/36/42/711013642.db2.gz DEWKFAOTYOSUFB-OAHLLOKOSA-N 0 3 315.421 1.519 20 10 DDCDHN OC1CCN(c2ccc(CNCc3cnc[nH]3)cc2F)CC1 ZINC000894203394 711015703 /nfs/dbraw/zinc/01/57/03/711015703.db2.gz RLBSNDIJWAVFFR-UHFFFAOYSA-N 0 3 304.369 1.800 20 10 DDCDHN CCN(CC)c1ccc(CN2C[C@@H](O)C[C@@]2(C)CO)cc1F ZINC000895327159 711485224 /nfs/dbraw/zinc/48/52/24/711485224.db2.gz APONLRWMALHVFC-YOEHRIQHSA-N 0 3 310.413 1.990 20 10 DDCDHN Cc1nc([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)no1 ZINC000905681761 712116718 /nfs/dbraw/zinc/11/67/18/712116718.db2.gz ISCUTFXXDRJXQL-YGRLFVJLSA-N 0 3 317.345 1.499 20 10 DDCDHN Cc1nc([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)no1 ZINC000905681761 712116719 /nfs/dbraw/zinc/11/67/19/712116719.db2.gz ISCUTFXXDRJXQL-YGRLFVJLSA-N 0 3 317.345 1.499 20 10 DDCDHN C[C@@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)c1ccccc1O ZINC000919116917 713582929 /nfs/dbraw/zinc/58/29/29/713582929.db2.gz AGEPJMBVTWZNDN-CJNGLKHVSA-N 0 3 324.446 1.859 20 10 DDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)C[C@]1(O)CCOC1 ZINC000929753690 713683168 /nfs/dbraw/zinc/68/31/68/713683168.db2.gz UTVDXPUSNCBJDC-NVXWUHKLSA-N 0 3 309.406 1.507 20 10 DDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)C[C@]1(O)CCOC1 ZINC000929753690 713683170 /nfs/dbraw/zinc/68/31/70/713683170.db2.gz UTVDXPUSNCBJDC-NVXWUHKLSA-N 0 3 309.406 1.507 20 10 DDCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C1(O)CCOCC1 ZINC000930350672 713811421 /nfs/dbraw/zinc/81/14/21/713811421.db2.gz ITZYZZACZYTNOB-QGZVFWFLSA-N 0 3 323.433 1.897 20 10 DDCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)C1(O)CCOCC1 ZINC000930350672 713811425 /nfs/dbraw/zinc/81/14/25/713811425.db2.gz ITZYZZACZYTNOB-QGZVFWFLSA-N 0 3 323.433 1.897 20 10 DDCDHN CC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)N1CCOCC1 ZINC000921822592 713878361 /nfs/dbraw/zinc/87/83/61/713878361.db2.gz VWWVWLHWMNAGQU-INIZCTEOSA-N 0 3 318.417 1.739 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCc2cnc3n2CCOC3)c1 ZINC000922217952 713993877 /nfs/dbraw/zinc/99/38/77/713993877.db2.gz XMXNQBJQFQVFTH-LLVKDONJSA-N 0 3 303.362 1.978 20 10 DDCDHN COC(OC)[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000922311290 714017697 /nfs/dbraw/zinc/01/76/97/714017697.db2.gz DHMWPCZKADVKMR-GFCCVEGCSA-N 0 3 312.385 1.759 20 10 DDCDHN C[NH+](C)CCn1nccc1NC(=O)NCc1c([O-])cccc1F ZINC000931568308 714130502 /nfs/dbraw/zinc/13/05/02/714130502.db2.gz UOCVVOBUEYGDMN-UHFFFAOYSA-N 0 3 321.356 1.611 20 10 DDCDHN CCN1CC[C@H](N2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC001172043784 776605942 /nfs/dbraw/zinc/60/59/42/776605942.db2.gz QVUAYJCMDSAUHC-INIZCTEOSA-N 0 3 317.433 1.828 20 10 DDCDHN O=C1C[C@]2(CN1C1COC1)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618830 846416752 /nfs/dbraw/zinc/41/67/52/846416752.db2.gz OYYBMERDXDIMNH-SFHVURJKSA-N 0 3 316.401 1.748 20 10 DDCDHN O=C1C[C@]2(CN1C1COC1)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272618830 846416746 /nfs/dbraw/zinc/41/67/46/846416746.db2.gz OYYBMERDXDIMNH-SFHVURJKSA-N 0 3 316.401 1.748 20 10 DDCDHN CCN(CC)c1ccc(CN2C[C@H](O)[C@@H](CO)C2)c(OC)c1 ZINC001138386155 860082197 /nfs/dbraw/zinc/08/21/97/860082197.db2.gz HVERGRZQCXSKRP-ZBFHGGJFSA-N 0 3 308.422 1.326 20 10 DDCDHN COc1cc(O)c(CN2CCC3(CCOC3=O)CC2)c(OC)c1 ZINC001141030989 860766791 /nfs/dbraw/zinc/76/67/91/860766791.db2.gz UFGCHBWPNUXBFA-UHFFFAOYSA-N 0 3 321.373 1.939 20 10 DDCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141033006 860769089 /nfs/dbraw/zinc/76/90/89/860769089.db2.gz WSNQVEHEAFHMSE-MRXNPFEDSA-N 0 3 309.362 1.794 20 10 DDCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141033006 860769091 /nfs/dbraw/zinc/76/90/91/860769091.db2.gz WSNQVEHEAFHMSE-MRXNPFEDSA-N 0 3 309.362 1.794 20 10 DDCDHN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])cc(OC)cc2OC)CC12CC2 ZINC001141032975 860769134 /nfs/dbraw/zinc/76/91/34/860769134.db2.gz VKCHAOBLCVUXTG-ZDUSSCGKSA-N 0 3 321.373 1.794 20 10 DDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])cc(OC)cc2OC)CC12CC2 ZINC001141032975 860769137 /nfs/dbraw/zinc/76/91/37/860769137.db2.gz VKCHAOBLCVUXTG-ZDUSSCGKSA-N 0 3 321.373 1.794 20 10 DDCDHN C[NH+](C)CCn1ccc(NC(=O)NCc2c([O-])cccc2F)n1 ZINC001332949076 866283087 /nfs/dbraw/zinc/28/30/87/866283087.db2.gz SLVWCFIUPOUDQK-UHFFFAOYSA-N 0 3 321.356 1.611 20 10 DDCDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[C@@H]1O ZINC001321504960 867635679 /nfs/dbraw/zinc/63/56/79/867635679.db2.gz OLJJORFPAMNIEK-KSSFIOAISA-N 0 3 321.440 1.780 20 10 DDCDHN COc1ccc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c([O-])c1 ZINC001203634369 870686777 /nfs/dbraw/zinc/68/67/77/870686777.db2.gz BRYJCNIDLNTQQU-UHFFFAOYSA-N 0 3 304.390 1.845 20 10 DDCDHN COc1ccc(C[NH+]2CCC3(CCC(=O)N3C)CC2)c([O-])c1 ZINC001203634946 870689139 /nfs/dbraw/zinc/68/91/39/870689139.db2.gz CFRYHIXJWHTJFJ-UHFFFAOYSA-N 0 3 304.390 1.988 20 10 DDCDHN COc1cc(C)c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c([O-])c1 ZINC001308855586 871534236 /nfs/dbraw/zinc/53/42/36/871534236.db2.gz QOTKVJILPBDUHI-SWLSCSKDSA-N 0 3 304.390 1.810 20 10 DDCDHN COc1cc(C)c(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c([O-])c1 ZINC001308855586 871534261 /nfs/dbraw/zinc/53/42/61/871534261.db2.gz QOTKVJILPBDUHI-SWLSCSKDSA-N 0 3 304.390 1.810 20 10 DDCDHN C[C@H]1NC[C@@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001218387538 877470743 /nfs/dbraw/zinc/47/07/43/877470743.db2.gz QDLPVAYOOMSQRG-OTYXRUKQSA-N 0 3 309.321 1.907 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCOC[C@H](O)C3)c2c1 ZINC001234525947 888054434 /nfs/dbraw/zinc/05/44/34/888054434.db2.gz NUZDMVKLMABVNF-CYBMUJFWSA-N 0 3 303.358 1.747 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@H+]3CCOC[C@H](O)C3)c2c1 ZINC001234525947 888054450 /nfs/dbraw/zinc/05/44/50/888054450.db2.gz NUZDMVKLMABVNF-CYBMUJFWSA-N 0 3 303.358 1.747 20 10 DDCDHN [NH3+][C@@H]1CCN(Cc2ccc(I)cc2[O-])C1 ZINC001236173553 889124842 /nfs/dbraw/zinc/12/48/42/889124842.db2.gz OKOVIQJAYAYKEO-SNVBAGLBSA-N 0 3 318.158 1.530 20 10 DDCDHN CC(C)c1ccc(C[NH+]2CCC3(CC2)CNC(=O)CO3)c([O-])c1 ZINC001237047990 889480968 /nfs/dbraw/zinc/48/09/68/889480968.db2.gz BJMBITZIXBQDLJ-UHFFFAOYSA-N 0 3 318.417 1.997 20 10 DDCDHN CCNC(=O)COC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC001237496666 889670860 /nfs/dbraw/zinc/67/08/60/889670860.db2.gz ZTPHMNNANQALQR-UHFFFAOYSA-N 0 3 306.406 1.818 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001249171207 893851429 /nfs/dbraw/zinc/85/14/29/893851429.db2.gz ALDZAQNCHVMBHN-WFASDCNBSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001249171207 893851456 /nfs/dbraw/zinc/85/14/56/893851456.db2.gz ALDZAQNCHVMBHN-WFASDCNBSA-N 0 3 307.390 1.701 20 10 DDCDHN C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cc(F)ccc1[O-] ZINC000273556274 296123425 /nfs/dbraw/zinc/12/34/25/296123425.db2.gz GXEXSSXGELUVKY-BXUZGUMPSA-N 0 3 309.385 1.522 20 10 DDCDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000274517201 130242324 /nfs/dbraw/zinc/24/23/24/130242324.db2.gz WZYAIUDJMJWQMF-GFCCVEGCSA-N 0 3 324.377 1.730 20 10 DDCDHN COc1cccc(CN2CCN(CC3CCOCC3)CC2)c1O ZINC000179627111 407815917 /nfs/dbraw/zinc/81/59/17/407815917.db2.gz NVZANFDHWGEENG-UHFFFAOYSA-N 0 3 320.433 1.945 20 10 DDCDHN CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc3c(cc2[O-])OCO3)C1(C)C ZINC000275893014 408711492 /nfs/dbraw/zinc/71/14/92/408711492.db2.gz YGBUIZOXHDYXNV-WBVHZDCISA-N 0 3 323.389 1.777 20 10 DDCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000280799806 408836738 /nfs/dbraw/zinc/83/67/38/408836738.db2.gz SEPWFCIXTBMHRG-PWSUYJOCSA-N 0 3 307.346 1.942 20 10 DDCDHN CN(C)c1ccc(CNC(=O)[C@@H](N)C2CCOCC2)cc1F ZINC000282209501 409010897 /nfs/dbraw/zinc/01/08/97/409010897.db2.gz AEWSGBXWFOIMNI-HNNXBMFYSA-N 0 3 309.385 1.262 20 10 DDCDHN COc1cc(O)c(CN(C)[C@@H]2CCN3CCO[C@H]2C3)cc1OC ZINC000295203591 409373471 /nfs/dbraw/zinc/37/34/71/409373471.db2.gz YZJXCRDUVUIKAC-DYVFJYSZSA-N 0 3 322.405 1.314 20 10 DDCDHN Cc1ccc(O)c(CN2CCCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000367432123 418599357 /nfs/dbraw/zinc/59/93/57/418599357.db2.gz PESHCYGXYQHOMG-QGZVFWFLSA-N 0 3 318.417 1.914 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1 ZINC000377694898 418713043 /nfs/dbraw/zinc/71/30/43/418713043.db2.gz LTAPEUFYIUGPNI-LBPRGKRZSA-N 0 3 314.389 2.153 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1 ZINC000377694898 418713045 /nfs/dbraw/zinc/71/30/45/418713045.db2.gz LTAPEUFYIUGPNI-LBPRGKRZSA-N 0 3 314.389 2.153 20 10 DDCDHN Cc1nc(CN2CCC[C@H]([NH2+]Cc3cc(F)ccc3[O-])C2)no1 ZINC000368461522 418720574 /nfs/dbraw/zinc/72/05/74/418720574.db2.gz JBGXGUAOOWGNHD-AWEZNQCLSA-N 0 3 320.368 1.977 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000368051960 418679851 /nfs/dbraw/zinc/67/98/51/418679851.db2.gz RHMMVXDAFDKMIV-WBMJQRKESA-N 0 3 303.362 1.517 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000368051960 418679854 /nfs/dbraw/zinc/67/98/54/418679854.db2.gz RHMMVXDAFDKMIV-WBMJQRKESA-N 0 3 303.362 1.517 20 10 DDCDHN Cc1cccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] ZINC000373190919 418931631 /nfs/dbraw/zinc/93/16/31/418931631.db2.gz OZXMJAKFUITHHK-GUYCJALGSA-N 0 3 317.389 1.511 20 10 DDCDHN Cc1ccc([O-])c(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1 ZINC000527755691 307517981 /nfs/dbraw/zinc/51/79/81/307517981.db2.gz VBFHSZHMCDDYHX-SFHVURJKSA-N 0 3 320.433 1.406 20 10 DDCDHN C[C@H](N[C@@H]1CCN(C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000116390076 696667922 /nfs/dbraw/zinc/66/79/22/696667922.db2.gz IQZRPMKCUPUCIS-XJKSGUPXSA-N 0 3 303.406 1.405 20 10 DDCDHN CCOCc1cc(CN[C@@H]2CCCN(C)C2=O)ccc1OC ZINC000748242021 700107718 /nfs/dbraw/zinc/10/77/18/700107718.db2.gz IQKFKMFDAJMAIH-OAHLLOKOSA-N 0 3 306.406 1.942 20 10 DDCDHN COCCN1CCC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779514751 698429741 /nfs/dbraw/zinc/42/97/41/698429741.db2.gz MOGBHMOJTDPVOS-BRLPQQTGSA-N 0 3 320.389 1.338 20 10 DDCDHN C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000783523735 698847148 /nfs/dbraw/zinc/84/71/48/698847148.db2.gz JONOZIOCYZNRHL-SLEUVZQESA-N 0 3 314.389 1.970 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](C)C[C@H]1C)cc2=O ZINC000740883329 699804671 /nfs/dbraw/zinc/80/46/71/699804671.db2.gz NNCOVVBJJDCSBK-GHMZBOCLSA-N 0 3 318.377 1.842 20 10 DDCDHN [O-]c1ccccc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000796516306 699937137 /nfs/dbraw/zinc/93/71/37/699937137.db2.gz IRYCDBWSLQLARM-ZDUSSCGKSA-N 0 3 304.312 1.745 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@H]3CCNC3=O)c2c1 ZINC000758401035 700703487 /nfs/dbraw/zinc/70/34/87/700703487.db2.gz PNCMBGUMOMFWEO-HNNXBMFYSA-N 0 3 300.358 1.874 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@H]3CCNC3=O)c2c1 ZINC000758401035 700703488 /nfs/dbraw/zinc/70/34/88/700703488.db2.gz PNCMBGUMOMFWEO-HNNXBMFYSA-N 0 3 300.358 1.874 20 10 DDCDHN C[C@H](N[C@@H]1CCCN(C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000766438338 701050847 /nfs/dbraw/zinc/05/08/47/701050847.db2.gz UKHVGAREUYPFNM-WMLDXEAASA-N 0 3 317.433 1.795 20 10 DDCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464091 701179885 /nfs/dbraw/zinc/17/98/85/701179885.db2.gz NIJCWVDZWYVMRE-CJNGLKHVSA-N 0 3 307.346 1.203 20 10 DDCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464091 701179888 /nfs/dbraw/zinc/17/98/88/701179888.db2.gz NIJCWVDZWYVMRE-CJNGLKHVSA-N 0 3 307.346 1.203 20 10 DDCDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841108170 702349824 /nfs/dbraw/zinc/34/98/24/702349824.db2.gz PBYANNBQGYAUNI-ZDUSSCGKSA-N 0 3 304.394 1.198 20 10 DDCDHN CCOC(=O)[C@H]1NCC[C@H]1NCc1ccc(N(CC)CC)cc1 ZINC000817887763 702509019 /nfs/dbraw/zinc/50/90/19/702509019.db2.gz DNJXDFURDMMLHW-SJORKVTESA-N 0 3 319.449 1.916 20 10 DDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](C)CN1 ZINC000841832242 702576231 /nfs/dbraw/zinc/57/62/31/702576231.db2.gz LJFRTTQJVYZOTN-CABCVRRESA-N 0 3 314.433 1.955 20 10 DDCDHN O=S1(=O)C[C@H](C[NH2+]Cc2ccccc2[O-])Oc2ccccc21 ZINC000842721507 702762593 /nfs/dbraw/zinc/76/25/93/702762593.db2.gz IXBGZGFHXJOPSV-ZDUSSCGKSA-N 0 3 319.382 1.717 20 10 DDCDHN CCN(OC)C(=O)CNCc1cc(Cl)cc(OC)c1O ZINC000843430386 702880139 /nfs/dbraw/zinc/88/01/39/702880139.db2.gz KRAFIQXDRNMSIX-UHFFFAOYSA-N 0 3 302.758 1.554 20 10 DDCDHN CN(C)CCN1CCN(Cc2ccc(N(C)C)c(F)c2)CC1=O ZINC000846010163 703226275 /nfs/dbraw/zinc/22/62/75/703226275.db2.gz CLRNKALHZQEABY-UHFFFAOYSA-N 0 3 322.428 1.098 20 10 DDCDHN O=C1C[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CN1 ZINC000851840927 703868384 /nfs/dbraw/zinc/86/83/84/703868384.db2.gz MBAWEAASQMQSDG-UKRRQHHQSA-N 0 3 304.390 1.509 20 10 DDCDHN O=C1C[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CN1 ZINC000851840927 703868387 /nfs/dbraw/zinc/86/83/87/703868387.db2.gz MBAWEAASQMQSDG-UKRRQHHQSA-N 0 3 304.390 1.509 20 10 DDCDHN C[C@@H](O)[C@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000852560463 704075363 /nfs/dbraw/zinc/07/53/63/704075363.db2.gz WUZWJKJMTCKEDW-CZUORRHYSA-N 0 3 305.422 1.214 20 10 DDCDHN COc1cc(C)cc(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c1O ZINC000853581992 704275181 /nfs/dbraw/zinc/27/51/81/704275181.db2.gz BDATVIRNZWZBGI-CQSZACIVSA-N 0 3 321.421 1.897 20 10 DDCDHN COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000858540823 704724369 /nfs/dbraw/zinc/72/43/69/704724369.db2.gz BEWVNJSKLHIWEO-JTQLQIEISA-N 0 3 312.341 1.251 20 10 DDCDHN CC[C@H]([NH2+]CCC(=O)NCCC(=O)OC)c1ccc(C)cc1[O-] ZINC000858542774 704724773 /nfs/dbraw/zinc/72/47/73/704724773.db2.gz XMSFVKWDEFSDTG-AWEZNQCLSA-N 0 3 322.405 1.811 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H](CC)CNS(C)(=O)=O)c([O-])c1 ZINC000824679008 705504735 /nfs/dbraw/zinc/50/47/35/705504735.db2.gz WJINMOYQNZVRHI-LBPRGKRZSA-N 0 3 316.423 1.208 20 10 DDCDHN COc1ccc(N2CCN(C[C@]3(OC)CCOC3)CC2)cc1F ZINC000876806189 705885332 /nfs/dbraw/zinc/88/53/32/705885332.db2.gz MIMLLOHVYIOMEM-QGZVFWFLSA-N 0 3 324.396 1.762 20 10 DDCDHN CCNC(=O)[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877141619 705994697 /nfs/dbraw/zinc/99/46/97/705994697.db2.gz BFAATUXWLQTNNX-ZDUSSCGKSA-N 0 3 305.422 1.262 20 10 DDCDHN COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877481797 706118888 /nfs/dbraw/zinc/11/88/88/706118888.db2.gz SQORWTVPZIKASK-ZBFHGGJFSA-N 0 3 309.406 1.546 20 10 DDCDHN COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877481797 706118892 /nfs/dbraw/zinc/11/88/92/706118892.db2.gz SQORWTVPZIKASK-ZBFHGGJFSA-N 0 3 309.406 1.546 20 10 DDCDHN C[C@H](N)c1cn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)nn1 ZINC000881083768 707119319 /nfs/dbraw/zinc/11/93/19/707119319.db2.gz IERZZPLKSWUUKM-LBPRGKRZSA-N 0 3 316.409 1.022 20 10 DDCDHN CS(=O)(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834798488 707121983 /nfs/dbraw/zinc/12/19/83/707121983.db2.gz HCDVJDLOJLKZME-UONOGXRCSA-N 0 3 324.446 1.783 20 10 DDCDHN CCC[N@H+](CCN1C(=O)N[C@H](C)C1=O)Cc1ccccc1[O-] ZINC000838858711 707990840 /nfs/dbraw/zinc/99/08/40/707990840.db2.gz CXZMZOFOAYHJOZ-GFCCVEGCSA-N 0 3 305.378 1.545 20 10 DDCDHN CCC[N@@H+](CCN1C(=O)N[C@H](C)C1=O)Cc1ccccc1[O-] ZINC000838858711 707990844 /nfs/dbraw/zinc/99/08/44/707990844.db2.gz CXZMZOFOAYHJOZ-GFCCVEGCSA-N 0 3 305.378 1.545 20 10 DDCDHN [O-]c1ccccc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000839165670 708031911 /nfs/dbraw/zinc/03/19/11/708031911.db2.gz RCLRKYBTFHCSDR-UHFFFAOYSA-N 0 3 306.406 1.363 20 10 DDCDHN CN(C)c1ccc(/C=C/CN2CC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000897063365 708221197 /nfs/dbraw/zinc/22/11/97/708221197.db2.gz UGYNEDXSZUWRJE-NHZBNJEXSA-N 0 3 323.462 1.376 20 10 DDCDHN CC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102851 708984081 /nfs/dbraw/zinc/98/40/81/708984081.db2.gz SQZDOECXPBOYEG-HOCLYGCPSA-N 0 3 322.453 1.425 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cccnn2)N(C)C)cc1 ZINC000891245761 710140139 /nfs/dbraw/zinc/14/01/39/710140139.db2.gz ITKJEHDTRIPNJB-INIZCTEOSA-N 0 3 313.405 1.575 20 10 DDCDHN Cc1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000903046115 711014340 /nfs/dbraw/zinc/01/43/40/711014340.db2.gz OSFNPILOMYWPHM-CQSZACIVSA-N 0 3 317.393 1.477 20 10 DDCDHN COc1ccc(N2CCN(CCNCc3c[nH]cn3)CC2)cc1 ZINC000894206101 711016829 /nfs/dbraw/zinc/01/68/29/711016829.db2.gz CRPOBTWWHKSMPE-UHFFFAOYSA-N 0 3 315.421 1.330 20 10 DDCDHN COc1cc(C)cc(CNCC(=O)NCC(F)(F)F)c1O ZINC000894210300 711018845 /nfs/dbraw/zinc/01/88/45/711018845.db2.gz AKLGXKLMAQLZCD-UHFFFAOYSA-N 0 3 306.284 1.477 20 10 DDCDHN C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccccc1[O-] ZINC000903396702 711112754 /nfs/dbraw/zinc/11/27/54/711112754.db2.gz MACQBXCPZZKKNM-VXGBXAGGSA-N 0 3 300.362 1.817 20 10 DDCDHN COc1ccc(CN2CC[C@H](N3CCOC3=O)C2)c(O)c1OC ZINC000895345036 711490610 /nfs/dbraw/zinc/49/06/10/711490610.db2.gz UMBVPNIAVFFVRU-LBPRGKRZSA-N 0 3 322.361 1.436 20 10 DDCDHN C[C@H](NC(=O)NCc1c([O-])cccc1F)C1=CC[N@H+](C)CC1 ZINC000921881419 713895566 /nfs/dbraw/zinc/89/55/66/713895566.db2.gz PZLILROQDSJMBR-NSHDSACASA-N 0 3 307.369 1.981 20 10 DDCDHN C[C@H](NC(=O)NCc1c([O-])cccc1F)C1=CC[N@@H+](C)CC1 ZINC000921881419 713895569 /nfs/dbraw/zinc/89/55/69/713895569.db2.gz PZLILROQDSJMBR-NSHDSACASA-N 0 3 307.369 1.981 20 10 DDCDHN C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1[O-] ZINC001197004174 747030117 /nfs/dbraw/zinc/03/01/17/747030117.db2.gz OVBNFAVZFZAJTH-CMPLNLGQSA-N 0 3 306.322 1.209 20 10 DDCDHN CN(C)c1ccc(CN2CCC(OCC(N)=O)CC2)cc1F ZINC001116445310 780509903 /nfs/dbraw/zinc/50/99/03/780509903.db2.gz LWXDNOZBEKJBDL-UHFFFAOYSA-N 0 3 309.385 1.358 20 10 DDCDHN Cc1cc(C)c(CNC(=O)CCN2CCN(C)CC2)c(O)c1 ZINC001143236802 861432318 /nfs/dbraw/zinc/43/23/18/861432318.db2.gz AKONHJGIAKAQKR-UHFFFAOYSA-N 0 3 305.422 1.263 20 10 DDCDHN COc1cc(CN2CCC(=O)[C@@H](F)C2)cc(CN(C)C)c1O ZINC001139258325 860338436 /nfs/dbraw/zinc/33/84/36/860338436.db2.gz PLWLSHWVTKXHBC-ZDUSSCGKSA-N 0 3 310.369 1.575 20 10 DDCDHN Oc1ccc(O)c(CN2CCCN(c3ncccn3)CC2)c1 ZINC001141159803 860797854 /nfs/dbraw/zinc/79/78/54/860797854.db2.gz KSYPKBTYLHDTOS-UHFFFAOYSA-N 0 3 300.362 1.600 20 10 DDCDHN Oc1ccc(O)c(CN2CCC(Oc3ccncn3)CC2)c1 ZINC001141162772 860799869 /nfs/dbraw/zinc/79/98/69/860799869.db2.gz CRXXEGFVXOXAFQ-UHFFFAOYSA-N 0 3 301.346 1.931 20 10 DDCDHN COc1ccc(O)c(CN2CC[C@@H](Oc3cnccn3)C2)c1 ZINC001203684111 870711744 /nfs/dbraw/zinc/71/17/44/870711744.db2.gz NEEDFBOFCSIBBQ-CQSZACIVSA-N 0 3 301.346 1.844 20 10 DDCDHN Oc1ccc(CN2CCN(CCc3ccncc3)CC2)c(O)c1 ZINC001204275057 871034735 /nfs/dbraw/zinc/03/47/35/871034735.db2.gz MXZNGBLQEPXECR-UHFFFAOYSA-N 0 3 313.401 1.853 20 10 DDCDHN CCOC(=O)[C@H]1CNCCN1Cc1c(C)n(C)c2ccccc21 ZINC001211362984 875773178 /nfs/dbraw/zinc/77/31/78/875773178.db2.gz YWJTYYANECYVJA-QGZVFWFLSA-N 0 3 315.417 1.824 20 10 DDCDHN Cc1cc(C(=O)NC2CCN(Cc3ccc(N)cc3)CC2)no1 ZINC001356083423 878862802 /nfs/dbraw/zinc/86/28/02/878862802.db2.gz PIANUOBYPFJARY-UHFFFAOYSA-N 0 3 314.389 1.960 20 10 DDCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@H](O)CO ZINC001231467724 885685793 /nfs/dbraw/zinc/68/57/93/885685793.db2.gz KEJHOLFOOPAMAC-INIZCTEOSA-N 0 3 317.385 1.756 20 10 DDCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@H](O)CO ZINC001231467724 885685803 /nfs/dbraw/zinc/68/58/03/885685803.db2.gz KEJHOLFOOPAMAC-INIZCTEOSA-N 0 3 317.385 1.756 20 10 DDCDHN COC(=O)[C@H]1COCCC12CN(Cc1cccc(C)c1O)C2 ZINC001231594218 885754805 /nfs/dbraw/zinc/75/48/05/885754805.db2.gz YMQAYVRUFHBXNX-CQSZACIVSA-N 0 3 305.374 1.712 20 10 DDCDHN COC(=O)c1c(CN2CCC[C@H]2CO)c2ccccc2n1C ZINC001232400079 886333783 /nfs/dbraw/zinc/33/37/83/886333783.db2.gz AAUNBKCQEAXMDF-LBPRGKRZSA-N 0 3 302.374 1.922 20 10 DDCDHN COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2O)CCCO1 ZINC001232840775 886626217 /nfs/dbraw/zinc/62/62/17/886626217.db2.gz IQTUXYUTUFQIHV-HNNXBMFYSA-N 0 3 308.378 1.222 20 10 DDCDHN COc1cc(C)c(C[NH+]2CCC3(CNC(=O)O3)CC2)c([O-])c1 ZINC001236812074 889366999 /nfs/dbraw/zinc/36/69/99/889366999.db2.gz YYOMCZGBLJYQCQ-UHFFFAOYSA-N 0 3 306.362 1.784 20 10 DDCDHN COCC(=O)NC1CC[NH+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001236814997 889367279 /nfs/dbraw/zinc/36/72/79/889367279.db2.gz ZGBAUVRXYLHAHK-UHFFFAOYSA-N 0 3 322.405 1.436 20 10 DDCDHN Cc1cc([O-])c(C[N@H+](C)C[C@@H](O)CO)cc1Br ZINC001237681316 889801413 /nfs/dbraw/zinc/80/14/13/889801413.db2.gz RHDKBBMDKNSBMZ-SNVBAGLBSA-N 0 3 304.184 1.248 20 10 DDCDHN Cc1cc([O-])c(C[N@@H+](C)C[C@@H](O)CO)cc1Br ZINC001237681316 889801421 /nfs/dbraw/zinc/80/14/21/889801421.db2.gz RHDKBBMDKNSBMZ-SNVBAGLBSA-N 0 3 304.184 1.248 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC001249171203 893850295 /nfs/dbraw/zinc/85/02/95/893850295.db2.gz ALDZAQNCHVMBHN-IUODEOHRSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC001249171203 893850314 /nfs/dbraw/zinc/85/03/14/893850314.db2.gz ALDZAQNCHVMBHN-IUODEOHRSA-N 0 3 307.390 1.701 20 10 DDCDHN CC(C)C(=O)NC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000077441282 353468516 /nfs/dbraw/zinc/46/85/16/353468516.db2.gz SIOCWKSXACDDJD-UHFFFAOYSA-N 0 3 320.389 1.858 20 10 DDCDHN Cc1ccc([C@H](C)NCCS(=O)(=O)NC(C)C)c(O)c1C ZINC000273512914 130131161 /nfs/dbraw/zinc/13/11/61/130131161.db2.gz RXSCPHOLBXBYGQ-ZDUSSCGKSA-N 0 3 314.451 1.987 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@@H](C)NC3CC3)CC2)cc1F ZINC000295228394 131891689 /nfs/dbraw/zinc/89/16/89/131891689.db2.gz RPQUJQJYGYRSNA-GFCCVEGCSA-N 0 3 321.396 1.623 20 10 DDCDHN Nc1ccc(CC(=O)N2CCN(CC3CCOCC3)CC2)cc1 ZINC000178794343 407604695 /nfs/dbraw/zinc/60/46/95/407604695.db2.gz LYMFTQRJOAYVIN-UHFFFAOYSA-N 0 3 317.433 1.382 20 10 DDCDHN CC(C)(N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269233208 408232267 /nfs/dbraw/zinc/23/22/67/408232267.db2.gz DVRBOGVRORVXBR-UHFFFAOYSA-N 0 3 305.422 1.249 20 10 DDCDHN COCCOCCOCCN(C)Cc1ccc(N(C)C)cc1 ZINC000276263898 408828077 /nfs/dbraw/zinc/82/80/77/408828077.db2.gz XAMAAKRPQWSLEZ-UHFFFAOYSA-N 0 3 310.438 1.864 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CCCc2cnn(C)n2)c1[O-] ZINC000293518896 409129701 /nfs/dbraw/zinc/12/97/01/409129701.db2.gz AWURJJMBHUZEBT-UHFFFAOYSA-N 0 3 310.785 1.905 20 10 DDCDHN COc1cc([O-])c(C[NH2+]CCc2nccnc2C)cc1OC ZINC000293606380 409147106 /nfs/dbraw/zinc/14/71/06/409147106.db2.gz JPVWNXSCEQYLLL-UHFFFAOYSA-N 0 3 303.362 1.840 20 10 DDCDHN CCCOc1ccc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c([O-])c1 ZINC000279529917 409232818 /nfs/dbraw/zinc/23/28/18/409232818.db2.gz ZGVKCUYHFQABGN-KRWDZBQOSA-N 0 3 304.390 1.893 20 10 DDCDHN CCCOc1ccc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c([O-])c1 ZINC000279529917 409232820 /nfs/dbraw/zinc/23/28/20/409232820.db2.gz ZGVKCUYHFQABGN-KRWDZBQOSA-N 0 3 304.390 1.893 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000296590420 409626312 /nfs/dbraw/zinc/62/63/12/409626312.db2.gz UXSAWPYHWALCGD-VXGBXAGGSA-N 0 3 300.424 1.679 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCO[C@@]3(CCOC3)C1)OCO2 ZINC000374281841 418513834 /nfs/dbraw/zinc/51/38/34/418513834.db2.gz CWFJBXNZXTYQDY-LRDDRELGSA-N 0 3 307.346 1.549 20 10 DDCDHN Cn1cc(C(=O)NC2CC[NH+](Cc3ccccc3[O-])CC2)cn1 ZINC000374282976 418513869 /nfs/dbraw/zinc/51/38/69/418513869.db2.gz KGVYKUNCXYGCOI-UHFFFAOYSA-N 0 3 314.389 1.520 20 10 DDCDHN COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1cc3c(cc1[O-])OCO3)C2 ZINC000374667567 418553439 /nfs/dbraw/zinc/55/34/39/418553439.db2.gz XVBIDLIYQJUKKA-SJKOYZFVSA-N 0 3 319.357 1.896 20 10 DDCDHN COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc3c(cc1[O-])OCO3)C2 ZINC000374667567 418553442 /nfs/dbraw/zinc/55/34/42/418553442.db2.gz XVBIDLIYQJUKKA-SJKOYZFVSA-N 0 3 319.357 1.896 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)cc1OC ZINC000367350681 418589435 /nfs/dbraw/zinc/58/94/35/418589435.db2.gz XHHNAORIWDMWAN-OLZOCXBDSA-N 0 3 320.389 1.652 20 10 DDCDHN COc1cc(O)c(CN[C@@H]2CC(=O)N3CCCC[C@@H]23)cc1OC ZINC000367350681 418589438 /nfs/dbraw/zinc/58/94/38/418589438.db2.gz XHHNAORIWDMWAN-OLZOCXBDSA-N 0 3 320.389 1.652 20 10 DDCDHN Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000375529829 418655624 /nfs/dbraw/zinc/65/56/24/418655624.db2.gz LOWDRQAGAWZJFD-MLGOLLRUSA-N 0 3 318.352 1.374 20 10 DDCDHN C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccccc1[O-] ZINC000362238758 418751299 /nfs/dbraw/zinc/75/12/99/418751299.db2.gz OGKBLAJJDVSJCS-DOMZBBRYSA-N 0 3 304.390 1.823 20 10 DDCDHN Cc1ccc([O-])c(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)c1 ZINC000364113951 525340011 /nfs/dbraw/zinc/34/00/11/525340011.db2.gz YMSAPXRXDGEULX-UHFFFAOYSA-N 0 3 317.433 1.439 20 10 DDCDHN [O-]c1ccc(F)cc1C[N@H+](CCO)CCOCC(F)(F)F ZINC000180136197 527548770 /nfs/dbraw/zinc/54/87/70/527548770.db2.gz NVNLWKXHKVLGGP-UHFFFAOYSA-N 0 3 311.275 1.905 20 10 DDCDHN [O-]c1ccc(F)cc1C[N@@H+](CCO)CCOCC(F)(F)F ZINC000180136197 527548773 /nfs/dbraw/zinc/54/87/73/527548773.db2.gz NVNLWKXHKVLGGP-UHFFFAOYSA-N 0 3 311.275 1.905 20 10 DDCDHN CC[C@@H](C)[C@H](N)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000011805356 696047849 /nfs/dbraw/zinc/04/78/49/696047849.db2.gz MOQXPNKSKPZXPZ-CJNGLKHVSA-N 0 3 305.422 1.717 20 10 DDCDHN COc1cc(Br)cc(C[N@H+](C)C[C@@H](C)O)c1[O-] ZINC000130744208 696800714 /nfs/dbraw/zinc/80/07/14/696800714.db2.gz CEWRXKYEESCVLC-MRVPVSSYSA-N 0 3 304.184 1.976 20 10 DDCDHN COc1cc(Br)cc(C[N@@H+](C)C[C@@H](C)O)c1[O-] ZINC000130744208 696800717 /nfs/dbraw/zinc/80/07/17/696800717.db2.gz CEWRXKYEESCVLC-MRVPVSSYSA-N 0 3 304.184 1.976 20 10 DDCDHN CCN(C)c1ccc(CN[C@@]2(CC(=O)OC)CCOC2)cc1 ZINC000773849972 697813535 /nfs/dbraw/zinc/81/35/35/697813535.db2.gz SZZXPDJMFZQKDE-QGZVFWFLSA-N 0 3 306.406 1.955 20 10 DDCDHN CCOc1cccc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1O ZINC000281213721 698542583 /nfs/dbraw/zinc/54/25/83/698542583.db2.gz JYLLIULHOIZEQD-OLZOCXBDSA-N 0 3 306.362 1.721 20 10 DDCDHN COc1ccc2c(c1)CCCN2C[C@@H]1CCCN(C(=O)CN)C1 ZINC000841012078 702310251 /nfs/dbraw/zinc/31/02/51/702310251.db2.gz YDUSIYAYQAAOSE-AWEZNQCLSA-N 0 3 317.433 1.645 20 10 DDCDHN C[C@H]1NCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000841759456 702557670 /nfs/dbraw/zinc/55/76/70/702557670.db2.gz GANKAHPCYQZWRF-VXGBXAGGSA-N 0 3 308.401 1.784 20 10 DDCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)[C@@H](C)CN1CCO ZINC000841892196 702608283 /nfs/dbraw/zinc/60/82/83/702608283.db2.gz UVOCKYOFMWEREO-NEPJUHHUSA-N 0 3 308.378 1.008 20 10 DDCDHN Oc1cc2c(cc1CN1CC[C@@H](Nc3ncccn3)C1)OCO2 ZINC000842614769 702742441 /nfs/dbraw/zinc/74/24/41/702742441.db2.gz FHUKOSOLPNRKOI-GFCCVEGCSA-N 0 3 314.345 1.597 20 10 DDCDHN O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1)N1CCNCC1 ZINC000843046943 702807766 /nfs/dbraw/zinc/80/77/66/702807766.db2.gz IBLGMWURLXRLMK-AWEZNQCLSA-N 0 3 321.396 1.175 20 10 DDCDHN O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1)N1CCNCC1 ZINC000843046943 702807768 /nfs/dbraw/zinc/80/77/68/702807768.db2.gz IBLGMWURLXRLMK-AWEZNQCLSA-N 0 3 321.396 1.175 20 10 DDCDHN COc1c([O-])c(CN2CCC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843052894 702809332 /nfs/dbraw/zinc/80/93/32/702809332.db2.gz XTAIXZVOZZESSC-QWRGUYRKSA-N 0 3 309.366 1.868 20 10 DDCDHN CN(C)c1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C2)cc1F ZINC000846032543 703229345 /nfs/dbraw/zinc/22/93/45/703229345.db2.gz FIDFJTWFGMJMGL-GFCCVEGCSA-N 0 3 315.414 1.015 20 10 DDCDHN Nc1ccc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000850750396 703749177 /nfs/dbraw/zinc/74/91/77/703749177.db2.gz KBXBSRDAXJTYIF-HNNXBMFYSA-N 0 3 304.394 1.644 20 10 DDCDHN Nc1ccc(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000852863231 704152606 /nfs/dbraw/zinc/15/26/06/704152606.db2.gz CIBMWWSDVBSZCZ-MRXNPFEDSA-N 0 3 303.406 1.181 20 10 DDCDHN COc1c([O-])c(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000824893569 705553291 /nfs/dbraw/zinc/55/32/91/705553291.db2.gz VZYGQSRYLVZZES-GXFFZTMASA-N 0 3 307.350 1.445 20 10 DDCDHN COc1c([O-])c(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000824893569 705553293 /nfs/dbraw/zinc/55/32/93/705553293.db2.gz VZYGQSRYLVZZES-GXFFZTMASA-N 0 3 307.350 1.445 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000824893569 705553296 /nfs/dbraw/zinc/55/32/96/705553296.db2.gz VZYGQSRYLVZZES-GXFFZTMASA-N 0 3 307.350 1.445 20 10 DDCDHN COc1c([O-])c(C[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000824893569 705553299 /nfs/dbraw/zinc/55/32/99/705553299.db2.gz VZYGQSRYLVZZES-GXFFZTMASA-N 0 3 307.350 1.445 20 10 DDCDHN Oc1cc2c(cc1CN1CC[C@H]([C@@H](O)C(F)(F)F)C1)OCO2 ZINC000825123816 705604587 /nfs/dbraw/zinc/60/45/87/705604587.db2.gz CQHKJJDZKGNQDG-ISVAXAHUSA-N 0 3 319.279 1.866 20 10 DDCDHN Cc1cccc(O)c1CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000876790230 705877910 /nfs/dbraw/zinc/87/79/10/705877910.db2.gz WTXMCDQYABPSAX-MRXNPFEDSA-N 0 3 317.433 1.439 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000877002047 705954782 /nfs/dbraw/zinc/95/47/82/705954782.db2.gz OBHZTHUVNVMSEK-UHFFFAOYSA-N 0 3 312.435 1.462 20 10 DDCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1[O-] ZINC000877667736 706175031 /nfs/dbraw/zinc/17/50/31/706175031.db2.gz KEPDRIQDEYXWBQ-IYBDPMFKSA-N 0 3 322.792 1.839 20 10 DDCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1[O-] ZINC000877667736 706175032 /nfs/dbraw/zinc/17/50/32/706175032.db2.gz KEPDRIQDEYXWBQ-IYBDPMFKSA-N 0 3 322.792 1.839 20 10 DDCDHN COc1ccc(O)c([C@H](C)NC(=O)CNC[C@H]2CCCO2)c1 ZINC000828667980 706214898 /nfs/dbraw/zinc/21/48/98/706214898.db2.gz XLBXMAMHDMUEDH-WCQYABFASA-N 0 3 308.378 1.347 20 10 DDCDHN COC1CCN(c2ccc(CN3CCOC[C@@H](O)C3)cc2)CC1 ZINC000830638341 706550931 /nfs/dbraw/zinc/55/09/31/706550931.db2.gz BHNMXTXJVKDBKB-KRWDZBQOSA-N 0 3 320.433 1.495 20 10 DDCDHN CCN(C)c1ccc([C@H](C)NC[C@@H](O)CS(C)(=O)=O)cc1 ZINC000927032144 712933758 /nfs/dbraw/zinc/93/37/58/712933758.db2.gz PUZBZBDXORNXTD-SWLSCSKDSA-N 0 3 314.451 1.199 20 10 DDCDHN C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1c1cc[nH+]cc1 ZINC000881631795 707310632 /nfs/dbraw/zinc/31/06/32/707310632.db2.gz DZOUFNYPCQNRQF-LBPRGKRZSA-N 0 3 313.357 1.844 20 10 DDCDHN CO[C@@H]1C[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891243090 710139302 /nfs/dbraw/zinc/13/93/02/710139302.db2.gz HCWNTGSSEIFWIV-OWCLPIDISA-N 0 3 305.422 1.506 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccnnc2)N(C)C)cc1 ZINC000891251502 710141815 /nfs/dbraw/zinc/14/18/15/710141815.db2.gz FLIQWHJLAKJXHH-MRXNPFEDSA-N 0 3 313.405 1.575 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC(N3CN=NC3=O)CC2)c([O-])c1 ZINC000894610289 711213531 /nfs/dbraw/zinc/21/35/31/711213531.db2.gz VLVNJLCZZLEFAB-UHFFFAOYSA-N 0 3 318.377 1.925 20 10 DDCDHN COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2ccc(OC)cc2[O-])C1(F)F ZINC000894635928 711225566 /nfs/dbraw/zinc/22/55/66/711225566.db2.gz JJNLUEWZEKUBGF-PWSUYJOCSA-N 0 3 301.289 1.545 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)NC1CC[NH+](C2CC2)CC1 ZINC000913981035 713328027 /nfs/dbraw/zinc/32/80/27/713328027.db2.gz DSUOTBLNYJZOMV-UHFFFAOYSA-N 0 3 307.369 1.957 20 10 DDCDHN COCC[N@H+](C)CCCNC(=O)NCc1c([O-])cccc1F ZINC000914176619 713353832 /nfs/dbraw/zinc/35/38/32/713353832.db2.gz MEOANDYGAABOJE-UHFFFAOYSA-N 0 3 313.373 1.299 20 10 DDCDHN COCC[N@@H+](C)CCCNC(=O)NCc1c([O-])cccc1F ZINC000914176619 713353834 /nfs/dbraw/zinc/35/38/34/713353834.db2.gz MEOANDYGAABOJE-UHFFFAOYSA-N 0 3 313.373 1.299 20 10 DDCDHN C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000921435035 713769398 /nfs/dbraw/zinc/76/93/98/713769398.db2.gz TXAZPDPNDNGANA-QMTHXVAHSA-N 0 3 307.369 1.813 20 10 DDCDHN C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000921435035 713769401 /nfs/dbraw/zinc/76/94/01/713769401.db2.gz TXAZPDPNDNGANA-QMTHXVAHSA-N 0 3 307.369 1.813 20 10 DDCDHN COc1cc(C(=O)N[C@H]2CCN(CCCF)C2)cc(OC)n1 ZINC001015105896 756125680 /nfs/dbraw/zinc/12/56/80/756125680.db2.gz YNYPOIOLLHWWDS-LBPRGKRZSA-N 0 3 311.357 1.263 20 10 DDCDHN Oc1ccc(O)c(CN2CC3(C2)CCN(Cc2cn[nH]c2)C3)c1 ZINC001275419369 853094197 /nfs/dbraw/zinc/09/41/97/853094197.db2.gz WTJCZQJIBZKVBD-UHFFFAOYSA-N 0 3 314.389 1.529 20 10 DDCDHN COC(=O)N(C)CCN(C)Cc1cc(OC)c(OC)cc1O ZINC001327803064 862477818 /nfs/dbraw/zinc/47/78/18/862477818.db2.gz IDILLHCVSKMRRZ-UHFFFAOYSA-N 0 3 312.366 1.539 20 10 DDCDHN COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001276169634 854873986 /nfs/dbraw/zinc/87/39/86/854873986.db2.gz UGZPUEFIUHOLHX-WBVHZDCISA-N 0 3 320.433 1.827 20 10 DDCDHN COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001276169634 854873987 /nfs/dbraw/zinc/87/39/87/854873987.db2.gz UGZPUEFIUHOLHX-WBVHZDCISA-N 0 3 320.433 1.827 20 10 DDCDHN CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)N2Cc1c(O)cccc1F ZINC001276354077 855710736 /nfs/dbraw/zinc/71/07/36/855710736.db2.gz GNNXEDHIVRTAMG-BETUJISGSA-N 0 3 321.396 1.268 20 10 DDCDHN CN1CCN(c2ccc(CN3CC(N4CC(F)C4)C3)cc2)CC1 ZINC001139404667 860388485 /nfs/dbraw/zinc/38/84/85/860388485.db2.gz VEKHIVKEJPPGMK-UHFFFAOYSA-N 0 3 318.440 1.276 20 10 DDCDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140063070 860567083 /nfs/dbraw/zinc/56/70/83/860567083.db2.gz JSGDANSEDLJQFH-GDBMZVCRSA-N 0 3 308.353 1.258 20 10 DDCDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140063070 860567087 /nfs/dbraw/zinc/56/70/87/860567087.db2.gz JSGDANSEDLJQFH-GDBMZVCRSA-N 0 3 308.353 1.258 20 10 DDCDHN CCN1CCN(c2ccc(CN3CCN(C#N)CC3)cc2)CC1 ZINC001140305945 860616006 /nfs/dbraw/zinc/61/60/06/860616006.db2.gz GRTALPAFNQBPFN-UHFFFAOYSA-N 0 3 313.449 1.427 20 10 DDCDHN Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2ccc(C)cc2[O-])C3)n1 ZINC001140950499 860744095 /nfs/dbraw/zinc/74/40/95/860744095.db2.gz VXMTVTTYVWSBMZ-RHSMWYFYSA-N 0 3 315.373 1.792 20 10 DDCDHN Cc1noc([C@]23COC[C@H]2C[N@@H+](Cc2ccc(C)cc2[O-])C3)n1 ZINC001140950499 860744101 /nfs/dbraw/zinc/74/41/01/860744101.db2.gz VXMTVTTYVWSBMZ-RHSMWYFYSA-N 0 3 315.373 1.792 20 10 DDCDHN CCNC(=O)COC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC001140953812 860746005 /nfs/dbraw/zinc/74/60/05/860746005.db2.gz HBMKDKWLUKJZLW-UHFFFAOYSA-N 0 3 306.406 1.818 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c(OC)c1 ZINC001141027079 860765115 /nfs/dbraw/zinc/76/51/15/860765115.db2.gz MTSZTERDGPAQSY-ZIAGYGMSSA-N 0 3 320.389 1.605 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c(OC)c1 ZINC001141027079 860765122 /nfs/dbraw/zinc/76/51/22/860765122.db2.gz MTSZTERDGPAQSY-ZIAGYGMSSA-N 0 3 320.389 1.605 20 10 DDCDHN CCOc1ccc(N2CCN(CC[C@@H]3CCNC3=O)CC2)cc1 ZINC001328996573 863407478 /nfs/dbraw/zinc/40/74/78/863407478.db2.gz BHAOYECBSFNLRB-HNNXBMFYSA-N 0 3 317.433 1.734 20 10 DDCDHN COc1ccc(CN[C@H](CO)CNC(=O)CC(C)C)cc1C ZINC001331670488 865229462 /nfs/dbraw/zinc/22/94/62/865229462.db2.gz ZFGIYSBDPJJCGQ-HNNXBMFYSA-N 0 3 308.422 1.616 20 10 DDCDHN CCNC(=O)CCN1CCN(c2ccc(OCC)cc2)CC1 ZINC001319846406 866337704 /nfs/dbraw/zinc/33/77/04/866337704.db2.gz BPPLBAVTTLCDLY-UHFFFAOYSA-N 0 3 305.422 1.734 20 10 DDCDHN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccccc2[O-])cn1 ZINC001203551707 870635467 /nfs/dbraw/zinc/63/54/67/870635467.db2.gz LEWOYULUYQSBTI-LSDHHAIUSA-N 0 3 312.373 1.506 20 10 DDCDHN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2ccccc2[O-])cn1 ZINC001203551707 870635475 /nfs/dbraw/zinc/63/54/75/870635475.db2.gz LEWOYULUYQSBTI-LSDHHAIUSA-N 0 3 312.373 1.506 20 10 DDCDHN COc1ccnc(O[C@H]2CC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC001203563278 870644546 /nfs/dbraw/zinc/64/45/46/870644546.db2.gz XYAAVLYZESGHDQ-ZDUSSCGKSA-N 0 3 301.346 1.844 20 10 DDCDHN COc1ccnc(O[C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC001203563278 870644554 /nfs/dbraw/zinc/64/45/54/870644554.db2.gz XYAAVLYZESGHDQ-ZDUSSCGKSA-N 0 3 301.346 1.844 20 10 DDCDHN Nc1ncc(CCNC(=O)C[C@@H]([NH3+])c2ccccc2[O-])s1 ZINC001220704893 879191325 /nfs/dbraw/zinc/19/13/25/879191325.db2.gz WZOBNFYVIHNNMM-LLVKDONJSA-N 0 3 306.391 1.180 20 10 DDCDHN COCCN(C)C(=O)C12CC([NH2+]Cc3ccc(C)cc3[O-])(C1)C2 ZINC001277567912 885881603 /nfs/dbraw/zinc/88/16/03/885881603.db2.gz QRRWNDJCICIYBL-UHFFFAOYSA-N 0 3 318.417 1.818 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC[C@@H](O)C3)c(F)c2)CC1 ZINC001236932508 889430384 /nfs/dbraw/zinc/43/03/84/889430384.db2.gz QETCYOMFYFMPRJ-MRXNPFEDSA-N 0 3 307.413 1.534 20 10 DDCDHN COC(=O)[C@H]1COCCC12CN(Cc1c(C)cccc1O)C2 ZINC001237491203 889668646 /nfs/dbraw/zinc/66/86/46/889668646.db2.gz IMVQAXRJQDAASB-CQSZACIVSA-N 0 3 305.374 1.712 20 10 DDCDHN COc1cc(CN2CCC3(CNC(=O)O3)CC2)c(O)c(OC)c1 ZINC001237678985 889800438 /nfs/dbraw/zinc/80/04/38/889800438.db2.gz RVEMHGZDHAFMDR-UHFFFAOYSA-N 0 3 322.361 1.484 20 10 DDCDHN COc1ccc(CN[C@H](CO)CNC(=O)[C@H](C)C(C)C)cc1C ZINC001278165400 889949194 /nfs/dbraw/zinc/94/91/94/889949194.db2.gz WNWXJTIVQSNWDC-ZBFHGGJFSA-N 0 3 322.449 1.862 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c([O-])c1 ZINC001249179031 893852256 /nfs/dbraw/zinc/85/22/56/893852256.db2.gz ZDGKTLCFWVKPFG-PXAZEXFGSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)c([O-])c1 ZINC001249179031 893852271 /nfs/dbraw/zinc/85/22/71/893852271.db2.gz ZDGKTLCFWVKPFG-PXAZEXFGSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c([O-])c1 ZINC001249208539 893866594 /nfs/dbraw/zinc/86/65/94/893866594.db2.gz VFXFZCYHOPNXFR-BETUJISGSA-N 0 3 306.406 1.632 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c([O-])c1 ZINC001249208539 893866615 /nfs/dbraw/zinc/86/66/15/893866615.db2.gz VFXFZCYHOPNXFR-BETUJISGSA-N 0 3 306.406 1.632 20 10 DDCDHN CCOC(=O)CN1CCC([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC001254399344 896420210 /nfs/dbraw/zinc/42/02/10/896420210.db2.gz IJGIYPUUYUUAGC-UHFFFAOYSA-N 0 3 308.378 1.215 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c([O-])c1 ZINC000273363303 130110904 /nfs/dbraw/zinc/11/09/04/130110904.db2.gz AUVRYYLJSSKBLN-CQSZACIVSA-N 0 3 319.449 1.904 20 10 DDCDHN COc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)c1[O-] ZINC000275674588 130362426 /nfs/dbraw/zinc/36/24/26/130362426.db2.gz VUWSMAYPGXIEBY-WFASDCNBSA-N 0 3 303.362 1.754 20 10 DDCDHN COc1cccc(CN[C@@H]2COc3ccccc3[C@@H]2O)c1O ZINC000288720684 131336959 /nfs/dbraw/zinc/33/69/59/131336959.db2.gz ZYMPHJKHOOMLHJ-DYVFJYSZSA-N 0 3 301.342 1.985 20 10 DDCDHN COc1cccc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)c1[O-] ZINC000289431497 131385693 /nfs/dbraw/zinc/38/56/93/131385693.db2.gz KUXCDSKTTLMJAT-LLVKDONJSA-N 0 3 313.419 1.704 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)NC(C)C)c1 ZINC000185970788 407553419 /nfs/dbraw/zinc/55/34/19/407553419.db2.gz IVCNCZVWDOQHSW-LLVKDONJSA-N 0 3 316.423 1.379 20 10 DDCDHN Cc1[nH]cnc1CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000278920207 409113707 /nfs/dbraw/zinc/11/37/07/409113707.db2.gz RSQQIKUTUPHOKC-UHFFFAOYSA-N 0 3 314.389 1.414 20 10 DDCDHN CCOc1cccc(C[N@@H+]2CC[C@](COC)(C(=O)OC)C2)c1[O-] ZINC000295044948 409309119 /nfs/dbraw/zinc/30/91/19/409309119.db2.gz NAFDFNOHWIVMBA-KRWDZBQOSA-N 0 3 323.389 1.802 20 10 DDCDHN CCOc1cccc(C[N@H+]2CC[C@](COC)(C(=O)OC)C2)c1[O-] ZINC000295044948 409309121 /nfs/dbraw/zinc/30/91/21/409309121.db2.gz NAFDFNOHWIVMBA-KRWDZBQOSA-N 0 3 323.389 1.802 20 10 DDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1COC3(CCOCC3)O1)CC2 ZINC000296726439 409632468 /nfs/dbraw/zinc/63/24/68/409632468.db2.gz IUGQIIJMEJUMBH-KBPBESRZSA-N 0 3 305.374 1.891 20 10 DDCDHN C[C@@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccccc1[O-] ZINC000360713557 418498153 /nfs/dbraw/zinc/49/81/53/418498153.db2.gz OXSXFQZGJJLFJD-LLVKDONJSA-N 0 3 302.382 1.235 20 10 DDCDHN CN1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000265966648 222357610 /nfs/dbraw/zinc/35/76/10/222357610.db2.gz SGKDCQHUQIGDEV-UHFFFAOYSA-N 0 3 314.433 1.910 20 10 DDCDHN COc1ccc(N2CCC(N[C@H](C)C(=O)NCCF)CC2)cc1 ZINC000368517579 418721157 /nfs/dbraw/zinc/72/11/57/418721157.db2.gz IROOPFFRFLZEEH-CYBMUJFWSA-N 0 3 323.412 1.728 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c1 ZINC000370286305 418742408 /nfs/dbraw/zinc/74/24/08/418742408.db2.gz URNUXSGQGBGYAD-WMLDXEAASA-N 0 3 304.390 1.938 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000364719595 418804495 /nfs/dbraw/zinc/80/44/95/418804495.db2.gz AESSSOMGIDCDJA-CYBMUJFWSA-N 0 3 302.378 1.503 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@]2(CO)COc3ccccc3C2)c1 ZINC000529642230 307564856 /nfs/dbraw/zinc/56/48/56/307564856.db2.gz GXAKKFKZBZJMOP-GOSISDBHSA-N 0 3 315.369 1.857 20 10 DDCDHN Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccccc3[O-])C2=O)n(C)n1 ZINC000179888495 525091076 /nfs/dbraw/zinc/09/10/76/525091076.db2.gz WIKYWPZPKRSKQT-TZMCWYRMSA-N 0 3 314.389 1.890 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)CNCCOC)cc1F ZINC000236906387 697801642 /nfs/dbraw/zinc/80/16/42/697801642.db2.gz QCFUJKRFJHGQSW-UHFFFAOYSA-N 0 3 311.401 1.524 20 10 DDCDHN CNS(=O)(=O)[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000749793555 700184952 /nfs/dbraw/zinc/18/49/52/700184952.db2.gz UCYBNBUDBNDMGM-AWEZNQCLSA-N 0 3 310.419 1.004 20 10 DDCDHN C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccc(N(C)C)cc1 ZINC000775406961 697993644 /nfs/dbraw/zinc/99/36/44/697993644.db2.gz QMRGNJOSPCFHQB-WMLDXEAASA-N 0 3 316.449 1.320 20 10 DDCDHN CNC(=O)[C@@H](NCc1ccc(N2CCOCC2)cc1)C(C)C ZINC000776254024 698088677 /nfs/dbraw/zinc/08/86/77/698088677.db2.gz ZLRVVWQDPSVXOA-INIZCTEOSA-N 0 3 305.422 1.383 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000246082435 698342968 /nfs/dbraw/zinc/34/29/68/698342968.db2.gz VHNGLLMHGNTTQB-FRRDWIJNSA-N 0 3 322.405 1.687 20 10 DDCDHN C[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccccc1[O-] ZINC000783510462 698845674 /nfs/dbraw/zinc/84/56/74/698845674.db2.gz OJSUUGSSMKRSJM-AWEZNQCLSA-N 0 3 319.449 1.986 20 10 DDCDHN CN(Cc1ccccc1)C[C@H](N)C(=O)NCc1ccccc1O ZINC000702368165 699229523 /nfs/dbraw/zinc/22/95/23/699229523.db2.gz GQMJXFFIRBBMCZ-INIZCTEOSA-N 0 3 313.401 1.468 20 10 DDCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000734285637 699646516 /nfs/dbraw/zinc/64/65/16/699646516.db2.gz QRIUINRBUGLZJZ-NWDGAFQWSA-N 0 3 319.405 1.998 20 10 DDCDHN CCOC(=O)CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768439788 701176971 /nfs/dbraw/zinc/17/69/71/701176971.db2.gz JVYDRBXRYCFQQZ-OAHLLOKOSA-N 0 3 321.373 1.736 20 10 DDCDHN CCOC(=O)CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768439788 701176974 /nfs/dbraw/zinc/17/69/74/701176974.db2.gz JVYDRBXRYCFQQZ-OAHLLOKOSA-N 0 3 321.373 1.736 20 10 DDCDHN Cc1nccn1CCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463995 701179596 /nfs/dbraw/zinc/17/95/96/701179596.db2.gz YSKMZRAUUIREGH-INIZCTEOSA-N 0 3 317.389 1.845 20 10 DDCDHN Cc1nccn1CCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463995 701179597 /nfs/dbraw/zinc/17/95/97/701179597.db2.gz YSKMZRAUUIREGH-INIZCTEOSA-N 0 3 317.389 1.845 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]3COCC[C@H]31)[C@H](O)CO2 ZINC000768463671 701179981 /nfs/dbraw/zinc/17/99/81/701179981.db2.gz LDXMEBZLTBXZDR-DJSGYFEHSA-N 0 3 305.374 1.819 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]3COCC[C@H]31)[C@H](O)CO2 ZINC000768463671 701179983 /nfs/dbraw/zinc/17/99/83/701179983.db2.gz LDXMEBZLTBXZDR-DJSGYFEHSA-N 0 3 305.374 1.819 20 10 DDCDHN CCOc1ccc(CN2CCN([C@H](CC)CO)CC2)c(O)c1 ZINC000769501935 701247552 /nfs/dbraw/zinc/24/75/52/701247552.db2.gz GBLRWCXMWSEYNH-OAHLLOKOSA-N 0 3 308.422 1.679 20 10 DDCDHN CC[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1O ZINC000770380667 701275708 /nfs/dbraw/zinc/27/57/08/701275708.db2.gz NIIMQBLAZPDQKL-YOEHRIQHSA-N 0 3 308.397 1.865 20 10 DDCDHN COCC(COC)N1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000840171689 702008639 /nfs/dbraw/zinc/00/86/39/702008639.db2.gz OQRIYLWQIUXCBQ-UHFFFAOYSA-N 0 3 322.449 1.788 20 10 DDCDHN COc1c([O-])c(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841100108 702345503 /nfs/dbraw/zinc/34/55/03/702345503.db2.gz UVODBEPOLUEUPC-PWSUYJOCSA-N 0 3 309.366 1.726 20 10 DDCDHN C[NH2+]C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000843044055 702807343 /nfs/dbraw/zinc/80/73/43/702807343.db2.gz BQULWZMRLYYHCA-LLVKDONJSA-N 0 3 309.366 1.740 20 10 DDCDHN CC(=O)c1cc(F)cc(CN(C)CCN2CC[NH2+]CC2)c1[O-] ZINC000843348951 702864252 /nfs/dbraw/zinc/86/42/52/702864252.db2.gz ACYUKIFLICGOBX-UHFFFAOYSA-N 0 3 309.385 1.071 20 10 DDCDHN CCOc1cccc(CN2C[C@H](C(=O)OC)C[C@H](O)C2)c1O ZINC000843435601 702882079 /nfs/dbraw/zinc/88/20/79/702882079.db2.gz WGZNLCRFIQPPJL-OLZOCXBDSA-N 0 3 309.362 1.147 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)CCC(=O)OC ZINC000843488423 702891730 /nfs/dbraw/zinc/89/17/30/702891730.db2.gz YOLJXUMRBQTHCE-OAHLLOKOSA-N 0 3 321.421 1.382 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CCNC[C@](C)(F)C2)cc1 ZINC000844226018 702997100 /nfs/dbraw/zinc/99/71/00/702997100.db2.gz YSTOCSWBUJNWPN-KRWDZBQOSA-N 0 3 322.428 1.002 20 10 DDCDHN CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])C(=O)OC ZINC000879652725 706750088 /nfs/dbraw/zinc/75/00/88/706750088.db2.gz HJJDODSBJBXUSF-MKBNYLNASA-N 0 3 322.405 1.747 20 10 DDCDHN C[C@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)c1ccccc1[O-] ZINC000879650988 706749337 /nfs/dbraw/zinc/74/93/37/706749337.db2.gz BXYFUFDHOBXDRO-ZDUSSCGKSA-N 0 3 320.389 1.408 20 10 DDCDHN COC(=O)NC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000853626909 704289370 /nfs/dbraw/zinc/28/93/70/704289370.db2.gz JPBLFXLOGQLXRL-CQSZACIVSA-N 0 3 322.361 1.138 20 10 DDCDHN COC(=O)NC1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000853626909 704289371 /nfs/dbraw/zinc/28/93/71/704289371.db2.gz JPBLFXLOGQLXRL-CQSZACIVSA-N 0 3 322.361 1.138 20 10 DDCDHN COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000858542417 704724722 /nfs/dbraw/zinc/72/47/22/704724722.db2.gz VISPKAVMIWDXQL-LBPRGKRZSA-N 0 3 308.378 1.421 20 10 DDCDHN CC[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NC ZINC000834914840 707147944 /nfs/dbraw/zinc/14/79/44/707147944.db2.gz WWWNHZKAMJGNSY-SWLSCSKDSA-N 0 3 323.412 1.838 20 10 DDCDHN COCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876559513 705758116 /nfs/dbraw/zinc/75/81/16/705758116.db2.gz BMVLVOBYZKACBE-UHFFFAOYSA-N 0 3 306.406 1.675 20 10 DDCDHN CN1CCN(c2ccc(CN3CCc4nn[nH]c4C3)cc2)CC1 ZINC000827884759 706081947 /nfs/dbraw/zinc/08/19/47/706081947.db2.gz HHZHWZUVYXOHIM-UHFFFAOYSA-N 0 3 312.421 1.115 20 10 DDCDHN Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c([O-])c1 ZINC000877654956 706171483 /nfs/dbraw/zinc/17/14/83/706171483.db2.gz YLEFAXDDZCRJJM-ZIAGYGMSSA-N 0 3 312.435 1.651 20 10 DDCDHN CCOC(=O)[C@]1(C[NH2+]Cc2c([O-])cccc2OC)CCCOC1 ZINC000877698367 706181703 /nfs/dbraw/zinc/18/17/03/706181703.db2.gz KLEOROMGPYARBW-KRWDZBQOSA-N 0 3 323.389 1.850 20 10 DDCDHN COc1cccc(CNC[C@H](n2cncn2)C(F)(F)F)c1O ZINC000865682844 706495893 /nfs/dbraw/zinc/49/58/93/706495893.db2.gz LZOIOTWNSKPJSB-NSHDSACASA-N 0 3 316.283 1.886 20 10 DDCDHN NC(C(=O)NCc1c(O)ccc2c1CCCC2)C(F)(F)F ZINC000830597599 706541274 /nfs/dbraw/zinc/54/12/74/706541274.db2.gz PQXVAWDZDOINAX-LBPRGKRZSA-N 0 3 302.296 1.777 20 10 DDCDHN CC(=O)c1ccc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)o1 ZINC000832285185 706884285 /nfs/dbraw/zinc/88/42/85/706884285.db2.gz PFYUQQOIUPHGOQ-AWEZNQCLSA-N 0 3 315.373 1.978 20 10 DDCDHN CC(=O)c1ccc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)o1 ZINC000832285186 706884356 /nfs/dbraw/zinc/88/43/56/706884356.db2.gz PFYUQQOIUPHGOQ-CQSZACIVSA-N 0 3 315.373 1.978 20 10 DDCDHN CCO[C@H](C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])CN(C)C ZINC000926960872 712922809 /nfs/dbraw/zinc/92/28/09/712922809.db2.gz NNIGJRNTZUAVKO-GXTWGEPZSA-N 0 3 324.421 1.796 20 10 DDCDHN Cc1nc(N)nc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000882879801 707834314 /nfs/dbraw/zinc/83/43/14/707834314.db2.gz NKJJWBOYCMVJFI-UHFFFAOYSA-N 0 3 313.409 1.126 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@](C)(O)C(F)F ZINC000885940299 708667023 /nfs/dbraw/zinc/66/70/23/708667023.db2.gz FRTHGCCTXNFXMO-INIZCTEOSA-N 0 3 314.376 1.971 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]2CO)N(C)C)cc1 ZINC000899095786 708981939 /nfs/dbraw/zinc/98/19/39/708981939.db2.gz MKKJLKVDRZMBIO-HOTGVXAUSA-N 0 3 320.437 1.132 20 10 DDCDHN COC(=O)[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000901705333 710126632 /nfs/dbraw/zinc/12/66/32/710126632.db2.gz BFAIFHVIJURLII-IAGOWNOFSA-N 0 3 319.449 1.897 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)C2=CCOCC2)N(C)C)cc1 ZINC000891250173 710141887 /nfs/dbraw/zinc/14/18/87/710141887.db2.gz ZSTZWDCLDHJOOB-KRWDZBQOSA-N 0 3 317.433 1.818 20 10 DDCDHN COCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255928 710143820 /nfs/dbraw/zinc/14/38/20/710143820.db2.gz SSKNZHVSONUZCC-INIZCTEOSA-N 0 3 307.438 1.898 20 10 DDCDHN COc1ccc(CN2CCSC[C@@H]2CCO)c(O)c1OC ZINC000892221987 710397937 /nfs/dbraw/zinc/39/79/37/710397937.db2.gz LDCQXLZWQCUEIL-LBPRGKRZSA-N 0 3 313.419 1.709 20 10 DDCDHN C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccccc1[O-] ZINC000903396700 711113030 /nfs/dbraw/zinc/11/30/30/711113030.db2.gz MACQBXCPZZKKNM-RYUDHWBXSA-N 0 3 300.362 1.817 20 10 DDCDHN COCC[C@H]1C[NH2+]CCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000903831689 711295022 /nfs/dbraw/zinc/29/50/22/711295022.db2.gz WGGKSRVDNOOCLG-AWEZNQCLSA-N 0 3 310.369 1.544 20 10 DDCDHN COCCNC(=O)C1(NCc2cc(C)cc(OC)c2O)CC1 ZINC000894985169 711350815 /nfs/dbraw/zinc/35/08/15/711350815.db2.gz OPCDVCWGVAMKJL-UHFFFAOYSA-N 0 3 308.378 1.094 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)O[C@H]2CCOC2)N(C)C)cc1 ZINC000908459299 712779176 /nfs/dbraw/zinc/77/91/76/712779176.db2.gz FINOWHFGXZQVSY-HOTGVXAUSA-N 0 3 321.421 1.870 20 10 DDCDHN COc1ccc(CN2CCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC001203628619 744301398 /nfs/dbraw/zinc/30/13/98/744301398.db2.gz CSMGANLNWIOSMS-MRXNPFEDSA-N 0 3 306.406 1.697 20 10 DDCDHN CN(CC(=O)NCc1cc(Cl)c2cccnc2c1[O-])C(N)=[NH2+] ZINC001144142639 772423550 /nfs/dbraw/zinc/42/35/50/772423550.db2.gz KEBQWGFMNYNCQX-UHFFFAOYSA-N 0 3 321.768 1.035 20 10 DDCDHN CCC[N@H+]1C[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]2C1 ZINC001148587758 773540611 /nfs/dbraw/zinc/54/06/11/773540611.db2.gz LUAZABYSJVMGGX-TXEJJXNPSA-N 0 3 306.362 1.217 20 10 DDCDHN CCC[N@@H+]1C[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]2C1 ZINC001148587758 773540618 /nfs/dbraw/zinc/54/06/18/773540618.db2.gz LUAZABYSJVMGGX-TXEJJXNPSA-N 0 3 306.362 1.217 20 10 DDCDHN CN(Cc1nccn1C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC001116512630 780517007 /nfs/dbraw/zinc/51/70/07/780517007.db2.gz VRAMIBGYSQPFKY-UHFFFAOYSA-N 0 3 313.449 1.804 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+](C)CCC(=O)N(C)C)c1[O-] ZINC001233289973 846028237 /nfs/dbraw/zinc/02/82/37/846028237.db2.gz ADBIVTUPXTZBNU-UHFFFAOYSA-N 0 3 300.786 1.964 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+](C)CCC(=O)N(C)C)c1[O-] ZINC001233289973 846028243 /nfs/dbraw/zinc/02/82/43/846028243.db2.gz ADBIVTUPXTZBNU-UHFFFAOYSA-N 0 3 300.786 1.964 20 10 DDCDHN COc1ccc(N2CCC[C@@]23CCN(CCN(C)C)C3=O)cc1 ZINC001274791004 852601060 /nfs/dbraw/zinc/60/10/60/852601060.db2.gz NBXCBEXYOYLNKF-SFHVURJKSA-N 0 3 317.433 1.828 20 10 DDCDHN c1cc(N2CCOCC2)ccc1CN1CC(N2CCCC2)C1 ZINC001138498317 860118910 /nfs/dbraw/zinc/11/89/10/860118910.db2.gz YNPKMSNEFJZQKR-UHFFFAOYSA-N 0 3 301.434 1.803 20 10 DDCDHN OC1CCN(c2ccc(CN3CC[C@@H](F)[C@H](O)C3)cc2)CC1 ZINC001140283390 860611629 /nfs/dbraw/zinc/61/16/29/860611629.db2.gz RUGDBVKZCVFXDJ-IAGOWNOFSA-N 0 3 308.397 1.552 20 10 DDCDHN COc1cc(O)c(CN2CCC[C@@H](n3cncn3)C2)c(OC)c1 ZINC001141029144 860766350 /nfs/dbraw/zinc/76/63/50/860766350.db2.gz KAKNKYOFNNIWIM-GFCCVEGCSA-N 0 3 318.377 1.838 20 10 DDCDHN C[C@H]1OCC[C@@]1(O)CNCc1cc(F)c(N(C)C)cc1F ZINC001328701722 863156409 /nfs/dbraw/zinc/15/64/09/863156409.db2.gz FTYWETWMVFXJPT-MEBBXXQBSA-N 0 3 300.349 1.660 20 10 DDCDHN CC(C)CNC(=O)CNCc1ccc(N2CCC(O)CC2)cc1 ZINC001330809513 864620770 /nfs/dbraw/zinc/62/07/70/864620770.db2.gz JUWPCHNCSAIHID-UHFFFAOYSA-N 0 3 319.449 1.510 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161214384 866446017 /nfs/dbraw/zinc/44/60/17/866446017.db2.gz VQWMEEYDKFRXQI-UHFFFAOYSA-N 0 3 304.390 1.950 20 10 DDCDHN COC(=O)c1cn([C@@H]2CCCN(Cc3ccc(N)cc3)C2)nn1 ZINC001334755104 867814449 /nfs/dbraw/zinc/81/44/49/867814449.db2.gz VNKGWSGGDSXMDF-CQSZACIVSA-N 0 3 315.377 1.484 20 10 DDCDHN O=C(N[C@@H]1CCCN(Cc2ccc(O)cc2O)C1)N1CCCC1 ZINC001204278182 871036686 /nfs/dbraw/zinc/03/66/86/871036686.db2.gz WSJGBQBZOFJMMK-CQSZACIVSA-N 0 3 319.405 1.868 20 10 DDCDHN C[S@@](=O)CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC001308276938 871486717 /nfs/dbraw/zinc/48/67/17/871486717.db2.gz AGICERKEMJRNKT-HXUWFJFHSA-N 0 3 300.399 1.130 20 10 DDCDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc(N(C)C)c(C)c1 ZINC001211362656 875773453 /nfs/dbraw/zinc/77/34/53/875773453.db2.gz OWBXSRXZLCJUFI-MRXNPFEDSA-N 0 3 305.422 1.398 20 10 DDCDHN O=C([C@@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2)N1CC=CC1 ZINC001277492275 885310009 /nfs/dbraw/zinc/31/00/09/885310009.db2.gz XUXWJFHVFFYDTI-ZDUSSCGKSA-N 0 3 302.349 1.752 20 10 DDCDHN O=C([C@@H]1CC12CN(Cc1c(O)cccc1F)C2)N1CC=CC1 ZINC001277492275 885310029 /nfs/dbraw/zinc/31/00/29/885310029.db2.gz XUXWJFHVFFYDTI-ZDUSSCGKSA-N 0 3 302.349 1.752 20 10 DDCDHN CCOC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2O)CCS1 ZINC001232840796 886626698 /nfs/dbraw/zinc/62/66/98/886626698.db2.gz JEIPAMQIUHNHIU-HNNXBMFYSA-N 0 3 324.446 1.939 20 10 DDCDHN O=C1CCCN1C1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233486482 887017918 /nfs/dbraw/zinc/01/79/18/887017918.db2.gz OGBIKDLXNYNVQJ-UHFFFAOYSA-N 0 3 306.362 1.390 20 10 DDCDHN CC(C)C(=O)N(C)C1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487085 887021463 /nfs/dbraw/zinc/02/14/63/887021463.db2.gz OWRJHHGHKMFPKV-UHFFFAOYSA-N 0 3 322.405 1.882 20 10 DDCDHN COC(=O)C1(O)CCN(Cc2c(C)cc(OC)cc2O)CC1 ZINC001236815656 889369377 /nfs/dbraw/zinc/36/93/77/889369377.db2.gz MDUIUGXXLAPZSU-UHFFFAOYSA-N 0 3 309.362 1.209 20 10 DDCDHN CC1=NC2(CC[NH+](Cc3c(C)cccc3[O-])CC2)C(=O)N1C ZINC001237494641 889668750 /nfs/dbraw/zinc/66/87/50/889668750.db2.gz KCUFOBGEBFAEDD-UHFFFAOYSA-N 0 3 301.390 1.926 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCCC3(COC3)C2)c([O-])c1 ZINC001249178844 893856377 /nfs/dbraw/zinc/85/63/77/893856377.db2.gz WKSQRCXTOZYHNP-UHFFFAOYSA-N 0 3 305.374 1.720 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCCC3(COC3)C2)c([O-])c1 ZINC001249178844 893856391 /nfs/dbraw/zinc/85/63/91/893856391.db2.gz WKSQRCXTOZYHNP-UHFFFAOYSA-N 0 3 305.374 1.720 20 10 DDCDHN CC[N@H+](CCn1cccn1)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249208373 893869311 /nfs/dbraw/zinc/86/93/11/893869311.db2.gz SFKZJIRRYFEJHO-UHFFFAOYSA-N 0 3 317.389 1.826 20 10 DDCDHN CC[N@@H+](CCn1cccn1)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249208373 893869335 /nfs/dbraw/zinc/86/93/35/893869335.db2.gz SFKZJIRRYFEJHO-UHFFFAOYSA-N 0 3 317.389 1.826 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)c([O-])c1 ZINC001249214637 893870188 /nfs/dbraw/zinc/87/01/88/893870188.db2.gz OQHGSYAVXIIJHC-GOEBONIOSA-N 0 3 318.417 1.634 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)c([O-])c1 ZINC001249214637 893870206 /nfs/dbraw/zinc/87/02/06/893870206.db2.gz OQHGSYAVXIIJHC-GOEBONIOSA-N 0 3 318.417 1.634 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H](CCO)C(C)(C)C)cc1 ZINC000298851616 529781295 /nfs/dbraw/zinc/78/12/95/529781295.db2.gz IPSLQMQMMWIFEX-INIZCTEOSA-N 0 3 321.465 1.756 20 10 DDCDHN CC(C)[C@H](CCO)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000274126864 130208860 /nfs/dbraw/zinc/20/88/60/130208860.db2.gz XXQLNCYBQQVSPJ-KRWDZBQOSA-N 0 3 321.465 1.708 20 10 DDCDHN CC[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccccc1[O-] ZINC000274931877 130274680 /nfs/dbraw/zinc/27/46/80/130274680.db2.gz RBGRMQYXEJXTRI-GJZGRUSLSA-N 0 3 305.422 1.773 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@]2(CCO)CCOC2)c1[O-] ZINC000278703910 130713919 /nfs/dbraw/zinc/71/39/19/130713919.db2.gz OAKSLPKNFNCLHE-CQSZACIVSA-N 0 3 301.770 1.685 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)c([O-])c1 ZINC000186054716 407569514 /nfs/dbraw/zinc/56/95/14/407569514.db2.gz JKMKBMVWQLQJKB-SWLSCSKDSA-N 0 3 314.389 1.890 20 10 DDCDHN CCOc1ccc(O)c(CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000093817958 407202250 /nfs/dbraw/zinc/20/22/50/407202250.db2.gz OJJLKLMWUSMYJB-OAHLLOKOSA-N 0 3 320.433 1.945 20 10 DDCDHN COc1cccc(CN2CCc3nn(C)c(=O)cc3C2)c1O ZINC000093756571 407202712 /nfs/dbraw/zinc/20/27/12/407202712.db2.gz BOUQIBBBZFXVPW-UHFFFAOYSA-N 0 3 301.346 1.053 20 10 DDCDHN C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000111235030 407402629 /nfs/dbraw/zinc/40/26/29/407402629.db2.gz JWKYFHMWLJNGTK-UHFFFAOYSA-N 0 3 305.378 1.545 20 10 DDCDHN C[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[O-] ZINC000111235030 407402630 /nfs/dbraw/zinc/40/26/30/407402630.db2.gz JWKYFHMWLJNGTK-UHFFFAOYSA-N 0 3 305.378 1.545 20 10 DDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000273464240 408211437 /nfs/dbraw/zinc/21/14/37/408211437.db2.gz DJCVSJGHGIZQGU-LBPRGKRZSA-N 0 3 322.405 1.286 20 10 DDCDHN CN1CCCc2cc(CNC(=O)C[C@@H]3CNCCO3)ccc21 ZINC000269253882 408234049 /nfs/dbraw/zinc/23/40/49/408234049.db2.gz QSZHZJIZZKKWKT-OAHLLOKOSA-N 0 3 303.406 1.064 20 10 DDCDHN COC[C@@](C)(CCO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000184709823 408672885 /nfs/dbraw/zinc/67/28/85/408672885.db2.gz YBDCJEODCBILGF-CQSZACIVSA-N 0 3 303.786 1.931 20 10 DDCDHN O=C1CC[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C2(CCC2)N1 ZINC000282843730 409066176 /nfs/dbraw/zinc/06/61/76/409066176.db2.gz OXULPKDHPPFIAU-CQSZACIVSA-N 0 3 304.346 1.412 20 10 DDCDHN Oc1cc(OCc2ccccc2)ccc1CN1C[C@H](O)[C@@H](O)C1 ZINC000278340056 409079232 /nfs/dbraw/zinc/07/92/32/409079232.db2.gz HNVCFQYORWZHEU-ROUUACIJSA-N 0 3 315.369 1.509 20 10 DDCDHN CCOCc1cc(CNC[C@]2(O)CCO[C@@H]2C)ccc1OC ZINC000278607217 409084946 /nfs/dbraw/zinc/08/49/46/409084946.db2.gz IMZRMEUEZAZSLV-CXAGYDPISA-N 0 3 309.406 1.861 20 10 DDCDHN CN(C)c1ccc(CNCCOCCO)c(C(F)(F)F)c1 ZINC000279780463 409247792 /nfs/dbraw/zinc/24/77/92/409247792.db2.gz CAYGDLUIYRDKGH-UHFFFAOYSA-N 0 3 306.328 1.870 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000296639560 409628067 /nfs/dbraw/zinc/62/80/67/409628067.db2.gz XZXVUXLXOHSHEJ-VXGBXAGGSA-N 0 3 300.424 1.679 20 10 DDCDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3cccc([O-])c31)CC2 ZINC000297025250 409762617 /nfs/dbraw/zinc/76/26/17/409762617.db2.gz UOWCWCKIOMPQTF-STQMWFEESA-N 0 3 314.389 1.722 20 10 DDCDHN O=C1NC(=O)[C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CC[C@H]12 ZINC000367780943 418635073 /nfs/dbraw/zinc/63/50/73/418635073.db2.gz RKVYSJZXQBZAKH-DZGCQCFKSA-N 0 3 310.353 1.640 20 10 DDCDHN O=C1NC(=O)[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CC[C@H]12 ZINC000367780943 418635076 /nfs/dbraw/zinc/63/50/76/418635076.db2.gz RKVYSJZXQBZAKH-DZGCQCFKSA-N 0 3 310.353 1.640 20 10 DDCDHN COc1cc([O-])c(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1OC ZINC000378448688 418723467 /nfs/dbraw/zinc/72/34/67/418723467.db2.gz DDBRISPIWGPIFH-AWEZNQCLSA-N 0 3 322.405 1.362 20 10 DDCDHN CCCNC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000158276209 519880350 /nfs/dbraw/zinc/88/03/50/519880350.db2.gz ANABNGNCJYFGQJ-AWEZNQCLSA-N 0 3 305.422 1.700 20 10 DDCDHN COCCNCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000237328989 523938856 /nfs/dbraw/zinc/93/88/56/523938856.db2.gz KASOQWJCKRMAJB-UHFFFAOYSA-N 0 3 316.405 1.455 20 10 DDCDHN [O-]c1ccc(F)cc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000179887835 526349585 /nfs/dbraw/zinc/34/95/85/526349585.db2.gz PZPAMZHXPPKONJ-UHFFFAOYSA-N 0 3 307.413 1.745 20 10 DDCDHN Nc1ccc(CC(=O)N2C[C@@H](N)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000364209079 527476825 /nfs/dbraw/zinc/47/68/25/527476825.db2.gz NGXDJCAQEPWZEZ-IAGOWNOFSA-N 0 3 313.376 1.904 20 10 DDCDHN COc1cc(C)cc(CN2CCN(CC(C)(C)O)CC2)c1O ZINC000164368514 697336435 /nfs/dbraw/zinc/33/64/35/697336435.db2.gz ZADBHMXHOVVQMA-UHFFFAOYSA-N 0 3 308.422 1.598 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NCc2ccccn2)c1 ZINC000775374441 697989929 /nfs/dbraw/zinc/98/99/29/697989929.db2.gz BUOOSSQYQKTAKY-LBPRGKRZSA-N 0 3 315.373 1.763 20 10 DDCDHN COc1cccc(O)c1CN[C@H]1CCCc2c1cnn2CCO ZINC000725846758 699335841 /nfs/dbraw/zinc/33/58/41/699335841.db2.gz SRMYNTQRMUMUIB-AWEZNQCLSA-N 0 3 317.389 1.757 20 10 DDCDHN CNC(=O)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847413 699537818 /nfs/dbraw/zinc/53/78/18/699537818.db2.gz KFQITTQHCHPQAZ-UHFFFAOYSA-N 0 3 305.378 1.592 20 10 DDCDHN CNC(=O)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847413 699537819 /nfs/dbraw/zinc/53/78/19/699537819.db2.gz KFQITTQHCHPQAZ-UHFFFAOYSA-N 0 3 305.378 1.592 20 10 DDCDHN CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000790761714 699595791 /nfs/dbraw/zinc/59/57/91/699595791.db2.gz WSDMQTKUNMZMLD-YPMHNXCESA-N 0 3 301.358 1.596 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](n3ccnc3)C1)[C@@H](O)CO2 ZINC000768447048 701177643 /nfs/dbraw/zinc/17/76/43/701177643.db2.gz QPXCPRJGHIPMPS-CJNGLKHVSA-N 0 3 315.373 1.852 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](n3ccnc3)C1)[C@@H](O)CO2 ZINC000768447048 701177644 /nfs/dbraw/zinc/17/76/44/701177644.db2.gz QPXCPRJGHIPMPS-CJNGLKHVSA-N 0 3 315.373 1.852 20 10 DDCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464099 701179991 /nfs/dbraw/zinc/17/99/91/701179991.db2.gz NIJCWVDZWYVMRE-XJKSGUPXSA-N 0 3 307.346 1.203 20 10 DDCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464099 701179993 /nfs/dbraw/zinc/17/99/93/701179993.db2.gz NIJCWVDZWYVMRE-XJKSGUPXSA-N 0 3 307.346 1.203 20 10 DDCDHN CO[C@@H]1COC[C@@H]1N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000840823849 702250357 /nfs/dbraw/zinc/25/03/57/702250357.db2.gz FZTBORKGWHBJCK-YLQAJVPDSA-N 0 3 324.396 1.727 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000840975751 702299272 /nfs/dbraw/zinc/29/92/72/702299272.db2.gz QZVRJRDVJGIDSE-UHFFFAOYSA-N 0 3 313.419 1.705 20 10 DDCDHN CN(C)c1ccc(/C=C/CN(C)CC(=O)N2CCNCC2)cc1 ZINC000843044032 702807411 /nfs/dbraw/zinc/80/74/11/702807411.db2.gz AGELIXUOVJNTOM-SNAWJCMRSA-N 0 3 316.449 1.129 20 10 DDCDHN CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000843432737 702880429 /nfs/dbraw/zinc/88/04/29/702880429.db2.gz OSWIKWLVIGHDSJ-CYBMUJFWSA-N 0 3 302.296 1.893 20 10 DDCDHN CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000843432737 702880432 /nfs/dbraw/zinc/88/04/32/702880432.db2.gz OSWIKWLVIGHDSJ-CYBMUJFWSA-N 0 3 302.296 1.893 20 10 DDCDHN C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc(F)ccc1[O-] ZINC000866520817 706720150 /nfs/dbraw/zinc/72/01/50/706720150.db2.gz IGPYFTBTOREXEN-BMIGLBTASA-N 0 3 310.325 1.403 20 10 DDCDHN C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000879648573 706749420 /nfs/dbraw/zinc/74/94/20/706749420.db2.gz UNAHVJKEAIWXQC-OLZOCXBDSA-N 0 3 312.435 1.714 20 10 DDCDHN COc1ccc(N2CCN(CCC(OC)OC)CC2)cc1F ZINC000851807065 703861053 /nfs/dbraw/zinc/86/10/53/703861053.db2.gz CRFDZSKYAMHMDP-UHFFFAOYSA-N 0 3 312.385 1.965 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000852668033 704096842 /nfs/dbraw/zinc/09/68/42/704096842.db2.gz UNQUWXGDHBFULU-HZPDHXFCSA-N 0 3 317.433 1.337 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000858090545 704664860 /nfs/dbraw/zinc/66/48/60/704664860.db2.gz IKWKBFOVWPHGDJ-JTQLQIEISA-N 0 3 318.389 1.555 20 10 DDCDHN COc1ccc(O)c(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c1 ZINC000827544963 706023408 /nfs/dbraw/zinc/02/34/08/706023408.db2.gz POHJSOLGCZUMHW-CYBMUJFWSA-N 0 3 307.394 1.589 20 10 DDCDHN O=C1[C@@H](NCc2cc3c(cc2O)OCO3)C[C@H]2CCCCN12 ZINC000835072714 707167029 /nfs/dbraw/zinc/16/70/29/707167029.db2.gz IIVKBSQJKQXZOO-NEPJUHHUSA-N 0 3 304.346 1.364 20 10 DDCDHN COc1ccc(CN[C@@H]2CC(=O)N(C)C2)cc1Cn1cccn1 ZINC000873034989 707702437 /nfs/dbraw/zinc/70/24/37/707702437.db2.gz BFTZYCKVWDCTGX-OAHLLOKOSA-N 0 3 314.389 1.260 20 10 DDCDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(CC3CC3)C2)cc1F ZINC000883403445 707991794 /nfs/dbraw/zinc/99/17/94/707991794.db2.gz SYBJGPVZPJMBBY-AWEZNQCLSA-N 0 3 305.397 1.992 20 10 DDCDHN CN(CCO)CCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000912599153 713042448 /nfs/dbraw/zinc/04/24/48/713042448.db2.gz JQXNRPUCVDRAOA-UHFFFAOYSA-N 0 3 324.402 1.309 20 10 DDCDHN C[C@@H](O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100529 708983057 /nfs/dbraw/zinc/98/30/57/708983057.db2.gz AEUAUVAUFVTPMZ-DOMZBBRYSA-N 0 3 308.426 1.035 20 10 DDCDHN COC[C@H](OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248641 710141278 /nfs/dbraw/zinc/14/12/78/710141278.db2.gz ZOHFECLHWRUPMQ-CVEARBPZSA-N 0 3 323.437 1.133 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cncnc2)N(C)C)cc1 ZINC000891249365 710141297 /nfs/dbraw/zinc/14/12/97/710141297.db2.gz RQVKWUGOHSSQPR-MRXNPFEDSA-N 0 3 313.405 1.575 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnns2)N(C)C)cc1 ZINC000891252051 710142405 /nfs/dbraw/zinc/14/24/05/710142405.db2.gz FHQJTMCRSAEGLP-CYBMUJFWSA-N 0 3 319.434 1.637 20 10 DDCDHN CCOC(=O)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255790 710143601 /nfs/dbraw/zinc/14/36/01/710143601.db2.gz SBBSJHIIUPLYTI-HNNXBMFYSA-N 0 3 321.421 1.425 20 10 DDCDHN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924715302 714647939 /nfs/dbraw/zinc/64/79/39/714647939.db2.gz FOYOYZLVJHZFMN-BXUZGUMPSA-N 0 3 304.394 1.296 20 10 DDCDHN Oc1ccc(CCNC(=S)NCCN2CCCCC2)cc1O ZINC001200439826 748234465 /nfs/dbraw/zinc/23/44/65/748234465.db2.gz XLXYELCOCHXVRZ-UHFFFAOYSA-N 0 3 323.462 1.590 20 10 DDCDHN C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589583 773541217 /nfs/dbraw/zinc/54/12/17/773541217.db2.gz CNCLDEPCOYXUKU-NSHDSACASA-N 0 3 308.378 1.654 20 10 DDCDHN Oc1ccc(O)c(CN2C[C@@H]3CN(C4CCCC4)C[C@H](C2)O3)c1 ZINC001275418521 853096505 /nfs/dbraw/zinc/09/65/05/853096505.db2.gz DOYQEVDSFACHFN-CALCHBBNSA-N 0 3 318.417 1.925 20 10 DDCDHN Oc1cc2c(cc1O)CN(c1cc3c(nn1)CCNC3)CCC2 ZINC001155944251 862582958 /nfs/dbraw/zinc/58/29/58/862582958.db2.gz AMKOXLBACWFCJK-UHFFFAOYSA-N 0 3 312.373 1.486 20 10 DDCDHN CN1CCN(C)C2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)C1=O ZINC001140054210 860565690 /nfs/dbraw/zinc/56/56/90/860565690.db2.gz LZMWTOWIDIFALQ-UHFFFAOYSA-N 0 3 321.396 1.270 20 10 DDCDHN COc1cc([O-])c(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c(OC)c1 ZINC001141026395 860764970 /nfs/dbraw/zinc/76/49/70/860764970.db2.gz OTUSZPKANTUPLF-LLVKDONJSA-N 0 3 313.394 1.363 20 10 DDCDHN COc1cc([O-])c(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)c(OC)c1 ZINC001141026395 860764978 /nfs/dbraw/zinc/76/49/78/860764978.db2.gz OTUSZPKANTUPLF-LLVKDONJSA-N 0 3 313.394 1.363 20 10 DDCDHN Oc1ccc(O)c(CN2CCC[C@H](Oc3cnccn3)C2)c1 ZINC001141163088 860799250 /nfs/dbraw/zinc/79/92/50/860799250.db2.gz OOQZAYLPTPNPHF-AWEZNQCLSA-N 0 3 301.346 1.931 20 10 DDCDHN CCOc1ccc(N2CCN(CC[C@H]3CCNC3=O)CC2)cc1 ZINC001328996574 863406575 /nfs/dbraw/zinc/40/65/75/863406575.db2.gz BHAOYECBSFNLRB-OAHLLOKOSA-N 0 3 317.433 1.734 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC[C@H](O)C3)cc2F)CC1 ZINC001339481058 870517106 /nfs/dbraw/zinc/51/71/06/870517106.db2.gz BGSHSXWUZCHZMQ-HNNXBMFYSA-N 0 3 307.413 1.534 20 10 DDCDHN COc1ccc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c([O-])c1 ZINC001203622088 870677258 /nfs/dbraw/zinc/67/72/58/870677258.db2.gz OEBKKHYYVXXTEI-HOCLYGCPSA-N 0 3 316.401 1.701 20 10 DDCDHN COc1ccc(C[N@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c([O-])c1 ZINC001203622088 870677266 /nfs/dbraw/zinc/67/72/66/870677266.db2.gz OEBKKHYYVXXTEI-HOCLYGCPSA-N 0 3 316.401 1.701 20 10 DDCDHN COc1cc(C)c(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC001206504636 872391737 /nfs/dbraw/zinc/39/17/37/872391737.db2.gz JBOMNSKKWSNUCF-GFCCVEGCSA-N 0 3 304.390 1.810 20 10 DDCDHN C[C@H]1NC[C@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001218387540 877471990 /nfs/dbraw/zinc/47/19/90/877471990.db2.gz QDLPVAYOOMSQRG-YMTOWFKASA-N 0 3 309.321 1.907 20 10 DDCDHN COc1ccc(Br)c(CN2CC[C@@H](CO)C2)c1O ZINC001231552335 885728474 /nfs/dbraw/zinc/72/84/74/885728474.db2.gz DRVRVZOUELLIOL-SECBINFHSA-N 0 3 316.195 1.978 20 10 DDCDHN COc1ccc(Br)c(C[N@@H+]2CC[C@@H](CO)C2)c1[O-] ZINC001231552335 885728482 /nfs/dbraw/zinc/72/84/82/885728482.db2.gz DRVRVZOUELLIOL-SECBINFHSA-N 0 3 316.195 1.978 20 10 DDCDHN COc1ccc(Br)c(C[N@H+]2CC[C@@H](CO)C2)c1[O-] ZINC001231552335 885728492 /nfs/dbraw/zinc/72/84/92/885728492.db2.gz DRVRVZOUELLIOL-SECBINFHSA-N 0 3 316.195 1.978 20 10 DDCDHN CCOC(=O)[C@H]1[C@@H]2CN(Cc3cc(OC)c(O)cc3O)C[C@@H]21 ZINC001231639436 885779439 /nfs/dbraw/zinc/77/94/39/885779439.db2.gz QACWLCWNKVLKDI-HBYGRHMLSA-N 0 3 307.346 1.347 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CC[C@@H](N2CCOCC2)C1 ZINC001231853731 885907501 /nfs/dbraw/zinc/90/75/01/885907501.db2.gz PGYKHNOCFRTYAY-QGZVFWFLSA-N 0 3 319.449 1.668 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001231855001 885910337 /nfs/dbraw/zinc/91/03/37/885910337.db2.gz NWCYATZMYFHYLL-WFASDCNBSA-N 0 3 303.406 1.329 20 10 DDCDHN COc1cc([O-])c(CN2CCO[C@@H](C[NH+](C)C)C2)c(Cl)c1 ZINC001236799594 889360488 /nfs/dbraw/zinc/36/04/88/889360488.db2.gz SPGJHEOTFOVJQV-LBPRGKRZSA-N 0 3 314.813 1.817 20 10 DDCDHN COc1cc(C)c(CN2CCN(CC(N)=O)C(C)(C)C2)c(O)c1 ZINC001236810852 889367148 /nfs/dbraw/zinc/36/71/48/889367148.db2.gz KDQXRWLAEGSVFP-UHFFFAOYSA-N 0 3 321.421 1.091 20 10 DDCDHN O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278248370 890262851 /nfs/dbraw/zinc/26/28/51/890262851.db2.gz ATWROTVTPOQNRM-BDJLRTHQSA-N 0 3 316.336 1.715 20 10 DDCDHN O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278248370 890262870 /nfs/dbraw/zinc/26/28/70/890262870.db2.gz ATWROTVTPOQNRM-BDJLRTHQSA-N 0 3 316.336 1.715 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@](C)(O)C2)c([O-])c1 ZINC001249171469 893850050 /nfs/dbraw/zinc/85/00/50/893850050.db2.gz BYRMBVBHHGNZHW-KRWDZBQOSA-N 0 3 307.390 1.845 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCCC[C@](C)(O)C2)c([O-])c1 ZINC001249171469 893850065 /nfs/dbraw/zinc/85/00/65/893850065.db2.gz BYRMBVBHHGNZHW-KRWDZBQOSA-N 0 3 307.390 1.845 20 10 DDCDHN C[C@@H](NCCOCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000090102691 185282260 /nfs/dbraw/zinc/28/22/60/185282260.db2.gz NIHCWHMQNNXABD-CYBMUJFWSA-N 0 3 314.451 1.464 20 10 DDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)c1 ZINC000273375929 130113985 /nfs/dbraw/zinc/11/39/85/130113985.db2.gz HFDWIBZIBJVTTE-TZMCWYRMSA-N 0 3 322.405 1.286 20 10 DDCDHN COC(=O)c1ccc([O-])c([C@@H](C)NC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000273375929 130113986 /nfs/dbraw/zinc/11/39/86/130113986.db2.gz HFDWIBZIBJVTTE-TZMCWYRMSA-N 0 3 322.405 1.286 20 10 DDCDHN CC(=O)N1CCN(CC[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273396242 130115617 /nfs/dbraw/zinc/11/56/17/130115617.db2.gz LWPUOBQLMWLVQX-OAHLLOKOSA-N 0 3 319.449 1.824 20 10 DDCDHN CC(C)OC[C@@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000274123749 130208057 /nfs/dbraw/zinc/20/80/57/130208057.db2.gz ZOMAYPRBXLFGQR-SFHVURJKSA-N 0 3 322.449 1.741 20 10 DDCDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000285475718 131172426 /nfs/dbraw/zinc/17/24/26/131172426.db2.gz KUUFGNMUXNDZNJ-TZMCWYRMSA-N 0 3 312.435 1.590 20 10 DDCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c1[O-] ZINC000289225711 131366672 /nfs/dbraw/zinc/36/66/72/131366672.db2.gz ALKRJBHYWDFIKV-JOYOIKCWSA-N 0 3 303.811 1.877 20 10 DDCDHN CN(C)c1ccc2c(c1)OCCN2C[C@H](O)CN(C)C1CC1 ZINC000289382201 131380464 /nfs/dbraw/zinc/38/04/64/131380464.db2.gz PSJLBYGPHSKUFX-OAHLLOKOSA-N 0 3 305.422 1.407 20 10 DDCDHN CCOC(=O)C1(O)CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000093595991 407198742 /nfs/dbraw/zinc/19/87/42/407198742.db2.gz VNCZUYBTZMUIOP-UHFFFAOYSA-N 0 3 307.390 1.899 20 10 DDCDHN C[C@@H](O)[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000183202048 408353231 /nfs/dbraw/zinc/35/32/31/408353231.db2.gz QLNGFOLYASSYBJ-GDBMZVCRSA-N 0 3 319.449 1.414 20 10 DDCDHN CNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000176983101 408490199 /nfs/dbraw/zinc/49/01/99/408490199.db2.gz OHUOZKUIUVDYPS-NSHDSACASA-N 0 3 309.385 1.392 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c1 ZINC000185343915 408797530 /nfs/dbraw/zinc/79/75/30/408797530.db2.gz ONCYAMLRDRDINZ-LSDHHAIUSA-N 0 3 321.465 1.935 20 10 DDCDHN COc1c([O-])c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292852270 409044135 /nfs/dbraw/zinc/04/41/35/409044135.db2.gz UHIDUJSBDXDJFH-MRXNPFEDSA-N 0 3 321.377 1.837 20 10 DDCDHN COc1c([O-])c(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292852270 409044137 /nfs/dbraw/zinc/04/41/37/409044137.db2.gz UHIDUJSBDXDJFH-MRXNPFEDSA-N 0 3 321.377 1.837 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000292852270 409044140 /nfs/dbraw/zinc/04/41/40/409044140.db2.gz UHIDUJSBDXDJFH-MRXNPFEDSA-N 0 3 321.377 1.837 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000292852270 409044143 /nfs/dbraw/zinc/04/41/43/409044143.db2.gz UHIDUJSBDXDJFH-MRXNPFEDSA-N 0 3 321.377 1.837 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278560274 409084960 /nfs/dbraw/zinc/08/49/60/409084960.db2.gz ATOFPYNBKFEBDM-AWEZNQCLSA-N 0 3 316.405 1.893 20 10 DDCDHN CCOc1cccc(CN(C)[C@H](C)CN2CCOCC2)c1O ZINC000279509257 409228195 /nfs/dbraw/zinc/22/81/95/409228195.db2.gz XCKSLARJNSZNIL-CQSZACIVSA-N 0 3 308.422 1.943 20 10 DDCDHN CCOc1cccc(C[N@H+](C)[C@H](C)CN2CCOCC2)c1[O-] ZINC000279509257 409228196 /nfs/dbraw/zinc/22/81/96/409228196.db2.gz XCKSLARJNSZNIL-CQSZACIVSA-N 0 3 308.422 1.943 20 10 DDCDHN CCOc1cccc(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1[O-] ZINC000279509257 409228198 /nfs/dbraw/zinc/22/81/98/409228198.db2.gz XCKSLARJNSZNIL-CQSZACIVSA-N 0 3 308.422 1.943 20 10 DDCDHN CC[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(C)cc1[O-] ZINC000280188873 409266137 /nfs/dbraw/zinc/26/61/37/409266137.db2.gz SBDPLDPWXYGUQV-CYBMUJFWSA-N 0 3 302.378 1.894 20 10 DDCDHN C[C@H](N[C@@H]1COC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000295984419 409392681 /nfs/dbraw/zinc/39/26/81/409392681.db2.gz PAFQGHOXDLLNHJ-SGIREYDYSA-N 0 3 310.369 1.073 20 10 DDCDHN Cc1cc(Br)cc(CNCc2cnnn2C)c1O ZINC000290247183 409334293 /nfs/dbraw/zinc/33/42/93/409334293.db2.gz VIEFMQFUIKYIEH-UHFFFAOYSA-N 0 3 311.183 1.881 20 10 DDCDHN COC(=O)[C@]12C[N@H+](Cc3cc(C)ccc3[O-])C[C@H]1COCC2 ZINC000373491896 418434149 /nfs/dbraw/zinc/43/41/49/418434149.db2.gz ZKBXNEVMWVFRFF-WMLDXEAASA-N 0 3 305.374 1.712 20 10 DDCDHN COC(=O)[C@]12C[N@@H+](Cc3cc(C)ccc3[O-])C[C@H]1COCC2 ZINC000373491896 418434152 /nfs/dbraw/zinc/43/41/52/418434152.db2.gz ZKBXNEVMWVFRFF-WMLDXEAASA-N 0 3 305.374 1.712 20 10 DDCDHN C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc(F)ccc1[O-] ZINC000368211081 418704790 /nfs/dbraw/zinc/70/47/90/418704790.db2.gz BTBULRYRJPHUNS-XHDPSFHLSA-N 0 3 322.380 1.962 20 10 DDCDHN COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(C)ccc3[O-])C2)nn1 ZINC000363917516 418771589 /nfs/dbraw/zinc/77/15/89/418771589.db2.gz FSMLFXGMRKRVLL-CYBMUJFWSA-N 0 3 316.361 1.526 20 10 DDCDHN COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(C)ccc3[O-])C2)nn1 ZINC000363917516 418771590 /nfs/dbraw/zinc/77/15/90/418771590.db2.gz FSMLFXGMRKRVLL-CYBMUJFWSA-N 0 3 316.361 1.526 20 10 DDCDHN Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c([O-])c1O ZINC000378576769 418725154 /nfs/dbraw/zinc/72/51/54/418725154.db2.gz ZNCIZFZVKBETNY-QEJZJMRPSA-N 0 3 316.401 1.963 20 10 DDCDHN Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c([O-])c1O ZINC000378576769 418725156 /nfs/dbraw/zinc/72/51/56/418725156.db2.gz ZNCIZFZVKBETNY-QEJZJMRPSA-N 0 3 316.401 1.963 20 10 DDCDHN CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](CC)c2ccccc2[O-])C1 ZINC000368796861 418725494 /nfs/dbraw/zinc/72/54/94/418725494.db2.gz LHMSXLUWLQKXNU-JSGCOSHPSA-N 0 3 312.435 1.857 20 10 DDCDHN CCNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](CC)c2ccccc2[O-])C1 ZINC000368796861 418725495 /nfs/dbraw/zinc/72/54/95/418725495.db2.gz LHMSXLUWLQKXNU-JSGCOSHPSA-N 0 3 312.435 1.857 20 10 DDCDHN CNCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000175896479 521958164 /nfs/dbraw/zinc/95/81/64/521958164.db2.gz FCLRZKVUXDCTAO-MRXNPFEDSA-N 0 3 305.422 1.480 20 10 DDCDHN Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccccc3[O-])C2=O)n(C)n1 ZINC000179888443 525095419 /nfs/dbraw/zinc/09/54/19/525095419.db2.gz WIKYWPZPKRSKQT-JSGCOSHPSA-N 0 3 314.389 1.890 20 10 DDCDHN CC(=O)NCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000121044326 696705289 /nfs/dbraw/zinc/70/52/89/696705289.db2.gz KCDPPMHSKKORRM-MRXNPFEDSA-N 0 3 306.406 1.899 20 10 DDCDHN CC(=O)NCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000121044326 696705291 /nfs/dbraw/zinc/70/52/91/696705291.db2.gz KCDPPMHSKKORRM-MRXNPFEDSA-N 0 3 306.406 1.899 20 10 DDCDHN [NH3+]C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000229019477 697777005 /nfs/dbraw/zinc/77/70/05/697777005.db2.gz CRTIZANZVAJHJO-LLVKDONJSA-N 0 3 301.184 1.314 20 10 DDCDHN COCCNCC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000237173592 697804749 /nfs/dbraw/zinc/80/47/49/697804749.db2.gz LGLGYMDBSKNGPI-UHFFFAOYSA-N 0 3 321.421 1.016 20 10 DDCDHN COc1cc(O)c(CN2CCSC[C@H]2CCO)cc1OC ZINC000775736985 698027857 /nfs/dbraw/zinc/02/78/57/698027857.db2.gz IZYJDHCVYMQVSG-GFCCVEGCSA-N 0 3 313.419 1.709 20 10 DDCDHN C[C@H](NC(=O)NC[C@@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000776236617 698086168 /nfs/dbraw/zinc/08/61/68/698086168.db2.gz ABUZVVFXVJAHBI-GUYCJALGSA-N 0 3 320.437 1.179 20 10 DDCDHN COc1cc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)c(O)cc1C ZINC000249077269 698386419 /nfs/dbraw/zinc/38/64/19/698386419.db2.gz BNQFZPQBQRKRBW-AWEZNQCLSA-N 0 3 322.449 1.986 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000322613797 698736168 /nfs/dbraw/zinc/73/61/68/698736168.db2.gz DAEZTYGAZHAPJO-IAQYHMDHSA-N 0 3 320.364 1.834 20 10 DDCDHN O=S(=O)(CC[NH2+]Cc1cc(F)ccc1[O-])N1CCCC1 ZINC000721884160 699315804 /nfs/dbraw/zinc/31/58/04/699315804.db2.gz SRRLMHYVKFCLHO-UHFFFAOYSA-N 0 3 302.371 1.047 20 10 DDCDHN CCOc1ccc(C[NH2+]C2(CC(=O)OC)CCOCC2)c([O-])c1 ZINC000756132978 700604864 /nfs/dbraw/zinc/60/48/64/700604864.db2.gz UTIKJKXJGCTEFZ-UHFFFAOYSA-N 0 3 323.389 1.993 20 10 DDCDHN CCOc1ccc(C[NH2+][C@](C)(COC)CC(=O)OC)c([O-])c1 ZINC000757926111 700676776 /nfs/dbraw/zinc/67/67/76/700676776.db2.gz JUUYRDCCQMXMLU-INIZCTEOSA-N 0 3 311.378 1.849 20 10 DDCDHN NC(=O)CN(Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000768258204 701165603 /nfs/dbraw/zinc/16/56/03/701165603.db2.gz UIYMWCCAUVOREZ-UHFFFAOYSA-N 0 3 317.433 1.753 20 10 DDCDHN CCOc1ccc(CN2CCC[C@@H]2CS(N)(=O)=O)c(O)c1 ZINC000769428766 701244599 /nfs/dbraw/zinc/24/45/99/701244599.db2.gz SYFNWBJUTYCDJN-GFCCVEGCSA-N 0 3 314.407 1.044 20 10 DDCDHN Nc1ccc(CCNC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000841954104 702634196 /nfs/dbraw/zinc/63/41/96/702634196.db2.gz HWCYAXRHBOUGNE-MRXNPFEDSA-N 0 3 300.406 1.467 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)c2c(CN)cnn2C)cc1 ZINC000876728298 705843384 /nfs/dbraw/zinc/84/33/84/705843384.db2.gz IMXHCTNPMIRTIK-UHFFFAOYSA-N 0 3 315.421 1.655 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c([O-])c1 ZINC000826844865 705883655 /nfs/dbraw/zinc/88/36/55/705883655.db2.gz ASRNJFKZHIACEX-ZDUSSCGKSA-N 0 3 302.378 1.905 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c([O-])c1 ZINC000826844865 705883658 /nfs/dbraw/zinc/88/36/58/705883658.db2.gz ASRNJFKZHIACEX-ZDUSSCGKSA-N 0 3 302.378 1.905 20 10 DDCDHN CCc1cccc(CN(CCN(C)C)CC(=O)N(C)C)c1O ZINC000827157343 705941877 /nfs/dbraw/zinc/94/18/77/705941877.db2.gz AJTJWKFHHBKISE-UHFFFAOYSA-N 0 3 307.438 1.406 20 10 DDCDHN CCOc1cccc(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827544904 706023239 /nfs/dbraw/zinc/02/32/39/706023239.db2.gz NRGRGHUJRATLME-CQSZACIVSA-N 0 3 321.421 1.979 20 10 DDCDHN CCN1CCN(CCC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000827937129 706090772 /nfs/dbraw/zinc/09/07/72/706090772.db2.gz LRRXVCPSVFLQPC-CQSZACIVSA-N 0 3 305.422 1.597 20 10 DDCDHN Cc1ccc(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c(O)c1 ZINC000877515114 706129528 /nfs/dbraw/zinc/12/95/28/706129528.db2.gz UXKVJBVIEVBRGF-AWEZNQCLSA-N 0 3 312.435 1.556 20 10 DDCDHN Cc1cccc(CN2CCN(CCc3cnccn3)CC2)c1O ZINC000877703359 706182328 /nfs/dbraw/zinc/18/23/28/706182328.db2.gz DPYMINSEPDFWMC-UHFFFAOYSA-N 0 3 312.417 1.851 20 10 DDCDHN O=C1[C@H](NCc2cc3c(cc2O)OCO3)C[C@@H]2CCCCN12 ZINC000835072716 707167191 /nfs/dbraw/zinc/16/71/91/707167191.db2.gz IIVKBSQJKQXZOO-NWDGAFQWSA-N 0 3 304.346 1.364 20 10 DDCDHN CN1CCN(c2ccc(CN3CC[C@@H](O)[C@@H](F)C3)cc2)CC1 ZINC000898187410 708568740 /nfs/dbraw/zinc/56/87/40/708568740.db2.gz JIFUGFFVVOMJCT-DLBZAZTESA-N 0 3 307.413 1.343 20 10 DDCDHN CN(C)c1ccc([C@H](CNCc2cnn(C)n2)N(C)C)cc1 ZINC000898451299 708644545 /nfs/dbraw/zinc/64/45/45/708644545.db2.gz XBTZZFNAKNWYIE-INIZCTEOSA-N 0 3 302.426 1.274 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC000886563989 708777593 /nfs/dbraw/zinc/77/75/93/708777593.db2.gz KPQCUIBUPYZIID-GASCZTMLSA-N 0 3 319.474 1.664 20 10 DDCDHN C[C@H]1NC(=S)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000899225643 709026837 /nfs/dbraw/zinc/02/68/37/709026837.db2.gz XGEOORGZWOWYKR-BXUZGUMPSA-N 0 3 320.462 1.461 20 10 DDCDHN C[C@@H]1CO[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891243084 710139346 /nfs/dbraw/zinc/13/93/46/710139346.db2.gz GVOVRBSOHKSDNE-IAOVAPTHSA-N 0 3 319.449 1.897 20 10 DDCDHN COCCOCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253834 710143396 /nfs/dbraw/zinc/14/33/96/710143396.db2.gz URGSFGUDCXCHPB-INIZCTEOSA-N 0 3 323.437 1.135 20 10 DDCDHN O=S1(=O)C[C@H]2CN(Cc3cc4c(cc3O)CCC4)C[C@H]2C1 ZINC000902615738 710819433 /nfs/dbraw/zinc/81/94/33/710819433.db2.gz UJFLAMFMPZAYEM-GASCZTMLSA-N 0 3 307.415 1.357 20 10 DDCDHN CCOc1ccc(C[NH2+]C2(C(=O)NC)CCOCC2)c([O-])c1 ZINC000895884567 711637088 /nfs/dbraw/zinc/63/70/88/711637088.db2.gz QQYOKHCUPFJRDV-UHFFFAOYSA-N 0 3 308.378 1.176 20 10 DDCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930349972 713811027 /nfs/dbraw/zinc/81/10/27/713811027.db2.gz CTNRSGIPDDNGKG-WMZOPIPTSA-N 0 3 323.433 1.897 20 10 DDCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930349972 713811031 /nfs/dbraw/zinc/81/10/31/713811031.db2.gz CTNRSGIPDDNGKG-WMZOPIPTSA-N 0 3 323.433 1.897 20 10 DDCDHN C[C@H]([NH2+]Cc1ccccc1[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000924904199 714693519 /nfs/dbraw/zinc/69/35/19/714693519.db2.gz ZYVJOFLAAGXANP-LBPRGKRZSA-N 0 3 312.435 1.542 20 10 DDCDHN COc1cc(C)c(C[NH2+]CCCN2CCC[C@H]2C(N)=O)c([O-])c1 ZINC001182883259 743744188 /nfs/dbraw/zinc/74/41/88/743744188.db2.gz YIFSYQDOVWDTAC-HNNXBMFYSA-N 0 3 321.421 1.139 20 10 DDCDHN CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)CO1 ZINC001169407259 762399877 /nfs/dbraw/zinc/39/98/77/762399877.db2.gz AWJQLUMUAFZBKA-BBRMVZONSA-N 0 3 305.374 1.861 20 10 DDCDHN CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCc3cccc([O-])c3C2)CO1 ZINC001169407259 762399881 /nfs/dbraw/zinc/39/98/81/762399881.db2.gz AWJQLUMUAFZBKA-BBRMVZONSA-N 0 3 305.374 1.861 20 10 DDCDHN COCCOCN1CC2(C1)CN(Cc1cc(C)ccc1O)C2 ZINC001275311510 852971844 /nfs/dbraw/zinc/97/18/44/852971844.db2.gz BJJVHGSZZAGRKR-UHFFFAOYSA-N 0 3 306.406 1.439 20 10 DDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001275952923 854012019 /nfs/dbraw/zinc/01/20/19/854012019.db2.gz OYSGAXCFZLOHHG-XJKSGUPXSA-N 0 3 314.389 1.527 20 10 DDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001275952923 854012026 /nfs/dbraw/zinc/01/20/26/854012026.db2.gz OYSGAXCFZLOHHG-XJKSGUPXSA-N 0 3 314.389 1.527 20 10 DDCDHN COC(=O)[C@H]1CCCN(Cc2c(O)cc(OC)cc2OC)C1 ZINC001141029120 860767150 /nfs/dbraw/zinc/76/71/50/860767150.db2.gz JEUJKTNAWXGIQZ-NSHDSACASA-N 0 3 309.362 1.794 20 10 DDCDHN COC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141029120 860767153 /nfs/dbraw/zinc/76/71/53/860767153.db2.gz JEUJKTNAWXGIQZ-NSHDSACASA-N 0 3 309.362 1.794 20 10 DDCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141029120 860767160 /nfs/dbraw/zinc/76/71/60/860767160.db2.gz JEUJKTNAWXGIQZ-NSHDSACASA-N 0 3 309.362 1.794 20 10 DDCDHN COc1cc(O)c(CN2CC[C@H](N(C)C(C)=O)C2)c(OC)c1 ZINC001141030765 860767278 /nfs/dbraw/zinc/76/72/78/860767278.db2.gz KFUJCDVRJXJDQX-LBPRGKRZSA-N 0 3 308.378 1.462 20 10 DDCDHN COC(=O)CCN(Cc1c(O)cc(OC)cc1OC)C1CC1 ZINC001141030776 860767435 /nfs/dbraw/zinc/76/74/35/860767435.db2.gz KSAWZCJNNHOFKA-UHFFFAOYSA-N 0 3 309.362 1.937 20 10 DDCDHN COC(=O)CC[N@H+](Cc1c([O-])cc(OC)cc1OC)C1CC1 ZINC001141030776 860767436 /nfs/dbraw/zinc/76/74/36/860767436.db2.gz KSAWZCJNNHOFKA-UHFFFAOYSA-N 0 3 309.362 1.937 20 10 DDCDHN COC(=O)CC[N@@H+](Cc1c([O-])cc(OC)cc1OC)C1CC1 ZINC001141030776 860767441 /nfs/dbraw/zinc/76/74/41/860767441.db2.gz KSAWZCJNNHOFKA-UHFFFAOYSA-N 0 3 309.362 1.937 20 10 DDCDHN CN1CCOc2cc(CN3CCC[C@@H](n4cncn4)C3)ccc21 ZINC001141144079 860794963 /nfs/dbraw/zinc/79/49/63/860794963.db2.gz VWXSFKRCTPNBPL-OAHLLOKOSA-N 0 3 313.405 1.944 20 10 DDCDHN O=C([C@@H]1C[C@@H](F)CCN1)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924651 866188640 /nfs/dbraw/zinc/18/86/40/866188640.db2.gz NFUCVCGJTMZWMV-STQMWFEESA-N 0 3 308.353 1.463 20 10 DDCDHN COCC[C@H](N)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC001333177107 866488025 /nfs/dbraw/zinc/48/80/25/866488025.db2.gz CBOXHHUCFJMNIN-INIZCTEOSA-N 0 3 321.421 1.144 20 10 DDCDHN CCOc1ccc(O)c(CN2CCN(Cc3nnc[nH]3)CC2)c1 ZINC001334382991 867531613 /nfs/dbraw/zinc/53/16/13/867531613.db2.gz DDCUMBGMPFILEN-UHFFFAOYSA-N 0 3 317.393 1.227 20 10 DDCDHN O=C(CC1CC1)N[C@@H]1CN(Cc2ccccc2O)[C@@H]2COC[C@H]12 ZINC001203552716 870636118 /nfs/dbraw/zinc/63/61/18/870636118.db2.gz RFSVNCVZXYOBJM-BZUAXINKSA-N 0 3 316.401 1.508 20 10 DDCDHN COc1ccc(CN2CCN(CCC(C)(C)O)CC2)c(O)c1 ZINC001203634472 870687385 /nfs/dbraw/zinc/68/73/85/870687385.db2.gz HSPAQAFTVCXOMV-UHFFFAOYSA-N 0 3 308.422 1.679 20 10 DDCDHN COc1ccc(O)c(CN2CCN(CCC(C)(C)O)CC2)c1 ZINC001203681016 870709300 /nfs/dbraw/zinc/70/93/00/870709300.db2.gz KPOYMGVHIPVIQK-UHFFFAOYSA-N 0 3 308.422 1.679 20 10 DDCDHN Nc1ccc(CCNC(=O)c2cc3c(s2)CNCC3)cc1 ZINC001340478426 871135934 /nfs/dbraw/zinc/13/59/34/871135934.db2.gz UWUJGUQKXMZGQO-UHFFFAOYSA-N 0 3 301.415 1.949 20 10 DDCDHN CCO[C@@H]1C[C@](N)(C(=O)NCc2c(O)cccc2F)C1(C)C ZINC001342613478 872293065 /nfs/dbraw/zinc/29/30/65/872293065.db2.gz OIIUKQJEPBANMM-CJNGLKHVSA-N 0 3 310.369 1.680 20 10 DDCDHN CN1CC[N@H+](Cc2cccc(F)c2[O-])C[C@@]2(CCCC(=O)N2)C1 ZINC001276537712 873340864 /nfs/dbraw/zinc/34/08/64/873340864.db2.gz LNOXUKBJXPGWSZ-QGZVFWFLSA-N 0 3 321.396 1.318 20 10 DDCDHN CN1CC[N@@H+](Cc2cccc(F)c2[O-])C[C@@]2(CCCC(=O)N2)C1 ZINC001276537712 873340873 /nfs/dbraw/zinc/34/08/73/873340873.db2.gz LNOXUKBJXPGWSZ-QGZVFWFLSA-N 0 3 321.396 1.318 20 10 DDCDHN CN(C)C(=O)[C@@H]1CCSC12CN(Cc1ccccc1O)C2 ZINC001277440842 884291204 /nfs/dbraw/zinc/29/12/04/884291204.db2.gz FXIRIIPXHYHOFI-ZDUSSCGKSA-N 0 3 306.431 1.788 20 10 DDCDHN O=C1CCC[C@@]2(CCCN(Cc3cc(O)c(O)cc3O)C2)N1 ZINC001233484752 887019723 /nfs/dbraw/zinc/01/97/23/887019723.db2.gz WFJKSPHFXTXZPN-INIZCTEOSA-N 0 3 306.362 1.438 20 10 DDCDHN CCc1ccc(C[NH+]2CCC3(CC2)CNC(=O)CO3)c([O-])c1 ZINC001236793512 889355991 /nfs/dbraw/zinc/35/59/91/889355991.db2.gz XLNKLVXLFIHTHP-UHFFFAOYSA-N 0 3 304.390 1.436 20 10 DDCDHN COc1ccc(CN[C@@H](CO)CNC(=O)C(C)(F)F)cc1C ZINC001278040814 889465631 /nfs/dbraw/zinc/46/56/31/889465631.db2.gz FAFJPHVSYZWRDL-GFCCVEGCSA-N 0 3 316.348 1.226 20 10 DDCDHN COc1cc(CN2CCC(NC(N)=O)CC2)c(O)c(OC)c1 ZINC001237674934 889797486 /nfs/dbraw/zinc/79/74/86/889797486.db2.gz NQBLBAPZJOHOQK-UHFFFAOYSA-N 0 3 309.366 1.042 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c([O-])c1 ZINC001249177549 893854867 /nfs/dbraw/zinc/85/48/67/893854867.db2.gz DBCHQEAPPJFFER-CJNGLKHVSA-N 0 3 305.374 1.719 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c([O-])c1 ZINC001249177549 893854886 /nfs/dbraw/zinc/85/48/86/893854886.db2.gz DBCHQEAPPJFFER-CJNGLKHVSA-N 0 3 305.374 1.719 20 10 DDCDHN CCC[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000236970439 202101672 /nfs/dbraw/zinc/10/16/72/202101672.db2.gz SQMLHXPZJYYOIP-CQSZACIVSA-N 0 3 309.385 1.406 20 10 DDCDHN COC(=O)c1cn(CC[NH2+][C@H](C)c2cc(C)ccc2[O-])nn1 ZINC000284443694 131081530 /nfs/dbraw/zinc/08/15/30/131081530.db2.gz SYUZKZRYYDKWQR-LLVKDONJSA-N 0 3 304.350 1.430 20 10 DDCDHN COc1cccc(C[NH2+]C2CCN(C(=O)N(C)C)CC2)c1[O-] ZINC000289380342 131381054 /nfs/dbraw/zinc/38/10/54/131381054.db2.gz CHNXIGBTKSFWPQ-UHFFFAOYSA-N 0 3 307.394 1.636 20 10 DDCDHN CC[C@H]([NH2+][C@H](C)c1cc(C)ccc1[O-])C(=O)N1CCOCC1 ZINC000185664838 407471618 /nfs/dbraw/zinc/47/16/18/407471618.db2.gz KKELVDGGAZTTCH-HIFRSBDPSA-N 0 3 306.406 1.989 20 10 DDCDHN COCCOCCN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000153986114 407945969 /nfs/dbraw/zinc/94/59/69/407945969.db2.gz KUQOGKSMDSUENR-OAHLLOKOSA-N 0 3 308.422 1.837 20 10 DDCDHN CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185029866 408742602 /nfs/dbraw/zinc/74/26/02/408742602.db2.gz DPCOHEOYDSJBOX-NSHDSACASA-N 0 3 318.414 1.854 20 10 DDCDHN Cc1cc(C)c([C@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)c([O-])c1 ZINC000293898751 409203249 /nfs/dbraw/zinc/20/32/49/409203249.db2.gz WIRFTXGNOXCTGV-HNNXBMFYSA-N 0 3 319.449 1.824 20 10 DDCDHN CN(C)c1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)cc1F ZINC000290106212 409303028 /nfs/dbraw/zinc/30/30/28/409303028.db2.gz KSKULLJEPWMODT-ZDUSSCGKSA-N 0 3 314.426 1.806 20 10 DDCDHN COC(=O)c1cnc(SC[C@H](O)CN(C)C2CC2)s1 ZINC000295795768 409372001 /nfs/dbraw/zinc/37/20/01/409372001.db2.gz AUNRZRRYYRMZHR-SECBINFHSA-N 0 3 302.421 1.477 20 10 DDCDHN NCc1cccc2c1N(C(=O)c1ccnc3c1CC(=O)N3)CCC2 ZINC000638543359 422972351 /nfs/dbraw/zinc/97/23/51/422972351.db2.gz XIQHPMPYPZYYSW-UHFFFAOYSA-N 0 3 322.368 1.628 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1 ZINC000375403157 418634791 /nfs/dbraw/zinc/63/47/91/418634791.db2.gz UQCORBYPOUNKGV-GHMZBOCLSA-N 0 3 302.296 1.796 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1 ZINC000375403157 418634794 /nfs/dbraw/zinc/63/47/94/418634794.db2.gz UQCORBYPOUNKGV-GHMZBOCLSA-N 0 3 302.296 1.796 20 10 DDCDHN Cn1ccc(N2CC[C@@H]([NH2+]Cc3cc(F)ccc3[O-])C2=O)n1 ZINC000378500784 418723886 /nfs/dbraw/zinc/72/38/86/418723886.db2.gz XUHULVABUVMVRS-GFCCVEGCSA-N 0 3 304.325 1.160 20 10 DDCDHN CN1CCC[C@]2(CC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)C1=O ZINC000368718827 418724777 /nfs/dbraw/zinc/72/47/77/418724777.db2.gz KVRCAPSKUNYVSK-QGZVFWFLSA-N 0 3 318.373 1.565 20 10 DDCDHN CN1CCC[C@]2(CC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)C1=O ZINC000368718827 418724782 /nfs/dbraw/zinc/72/47/82/418724782.db2.gz KVRCAPSKUNYVSK-QGZVFWFLSA-N 0 3 318.373 1.565 20 10 DDCDHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc2c(cc1O)OCO2 ZINC000368976635 418728139 /nfs/dbraw/zinc/72/81/39/418728139.db2.gz XXNVMHYLQGHNAJ-VPJDZLOFSA-N 0 3 304.346 1.207 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 ZINC000373215655 418932623 /nfs/dbraw/zinc/93/26/23/418932623.db2.gz JOEJRTDGWVPILA-IUODEOHRSA-N 0 3 304.390 1.891 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 ZINC000373215655 418932624 /nfs/dbraw/zinc/93/26/24/418932624.db2.gz JOEJRTDGWVPILA-IUODEOHRSA-N 0 3 304.390 1.891 20 10 DDCDHN C[NH+]1CCC(n2ccc(NC(=O)c3cccc(O)c3[O-])n2)CC1 ZINC000373246523 418933761 /nfs/dbraw/zinc/93/37/61/418933761.db2.gz WQPMTQRTBODPEI-UHFFFAOYSA-N 0 3 316.361 1.813 20 10 DDCDHN COc1ccc2c(c1)CCN2C(=O)c1cn[n-]c1[C@@H]1CC[NH2+]C1 ZINC000662422926 424627008 /nfs/dbraw/zinc/62/70/08/424627008.db2.gz RWSGBJMWEUCSCJ-GFCCVEGCSA-N 0 3 312.373 1.698 20 10 DDCDHN CC[C@H](C)[C@H](N)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000155776721 521942893 /nfs/dbraw/zinc/94/28/93/521942893.db2.gz MIHIBQCFZWMBRE-LRDDRELGSA-N 0 3 323.412 1.856 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1 ZINC000011805362 696047934 /nfs/dbraw/zinc/04/79/34/696047934.db2.gz LQMAHMAJMJUBMO-INIZCTEOSA-N 0 3 305.422 1.717 20 10 DDCDHN Oc1cc2c(cc1CN1CCN(c3cccnn3)CC1)CCC2 ZINC000170638881 697347916 /nfs/dbraw/zinc/34/79/16/697347916.db2.gz KTYJRHPXKCPUHA-UHFFFAOYSA-N 0 3 310.401 1.993 20 10 DDCDHN CC[C@H]([NH2+]CCS(=O)(=O)NC(C)C)c1ccccc1[O-] ZINC000186262517 697531430 /nfs/dbraw/zinc/53/14/30/697531430.db2.gz WQSGIZHHTCPVDE-ZDUSSCGKSA-N 0 3 300.424 1.761 20 10 DDCDHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000775369093 697989241 /nfs/dbraw/zinc/98/92/41/697989241.db2.gz JCOJGAHLRXSWMI-VHSXEESVSA-N 0 3 309.366 1.286 20 10 DDCDHN CCOC(=O)CN(C)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835277 698042728 /nfs/dbraw/zinc/04/27/28/698042728.db2.gz SYLRJKXBEPXUHU-ZDUSSCGKSA-N 0 3 321.421 1.425 20 10 DDCDHN CN(C)c1ccc(CNC[C@](C)(O)C(=O)OC(C)(C)C)cc1 ZINC000776521049 698112328 /nfs/dbraw/zinc/11/23/28/698112328.db2.gz UIXBRQDPDGNNBG-KRWDZBQOSA-N 0 3 308.422 1.935 20 10 DDCDHN COc1ccc(O)c(CNC(=O)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000734277930 699645585 /nfs/dbraw/zinc/64/55/85/699645585.db2.gz MSMUBQMRPHKKHB-GFCCVEGCSA-N 0 3 305.378 1.437 20 10 DDCDHN COC(=O)[C@H]1[C@@H]2CN(Cc3cc(OC)c(OC)cc3O)C[C@@H]21 ZINC000793642136 699769332 /nfs/dbraw/zinc/76/93/32/699769332.db2.gz FGHOADNVDZRLKP-HBYGRHMLSA-N 0 3 307.346 1.260 20 10 DDCDHN CCN1CC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O ZINC000802317986 700395401 /nfs/dbraw/zinc/39/54/01/700395401.db2.gz KSUYVTQSISNZLQ-WMLDXEAASA-N 0 3 317.433 1.795 20 10 DDCDHN COc1cccc(O)c1CN1CCC[C@H](N2CCCC2=O)C1 ZINC000769378997 701242867 /nfs/dbraw/zinc/24/28/67/701242867.db2.gz GPKFOGFVRSZFFJ-ZDUSSCGKSA-N 0 3 304.390 1.988 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000769378997 701242868 /nfs/dbraw/zinc/24/28/68/701242868.db2.gz GPKFOGFVRSZFFJ-ZDUSSCGKSA-N 0 3 304.390 1.988 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000769378997 701242869 /nfs/dbraw/zinc/24/28/69/701242869.db2.gz GPKFOGFVRSZFFJ-ZDUSSCGKSA-N 0 3 304.390 1.988 20 10 DDCDHN CCOc1ccc(CN2CCN(C(C)(C)CO)CC2)c(O)c1 ZINC000769444744 701245212 /nfs/dbraw/zinc/24/52/12/701245212.db2.gz DSPDNENDVJLZIX-UHFFFAOYSA-N 0 3 308.422 1.679 20 10 DDCDHN CCN(C)c1ccc(CN2C[C@H](O)C[C@@H](C(=O)OC)C2)cc1 ZINC000830864974 706593631 /nfs/dbraw/zinc/59/36/31/706593631.db2.gz IOGPBEBZKZLJKV-GDBMZVCRSA-N 0 3 306.406 1.499 20 10 DDCDHN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)CN(C)C)cc1 ZINC000808171702 701504318 /nfs/dbraw/zinc/50/43/18/701504318.db2.gz KZPFLYIVHSIPEM-MRXNPFEDSA-N 0 3 315.417 1.746 20 10 DDCDHN CCn1ccc(CNCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000840955844 702292750 /nfs/dbraw/zinc/29/27/50/702292750.db2.gz YJLABHXURBBYQE-UHFFFAOYSA-N 0 3 313.449 1.945 20 10 DDCDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C)CN1CCO ZINC000841891650 702607985 /nfs/dbraw/zinc/60/79/85/702607985.db2.gz NWPUFDRLBUWSSF-KGLIPLIRSA-N 0 3 309.429 1.779 20 10 DDCDHN CCN(CC)c1ccc(CN[C@H]2CCC(=O)N(C)C2=O)cc1F ZINC000818233374 702612754 /nfs/dbraw/zinc/61/27/54/702612754.db2.gz LCFJTSLOVSEAEB-AWEZNQCLSA-N 0 3 321.396 1.909 20 10 DDCDHN CC(=O)c1cc(Cl)cc(CN2CCC(O)(C[NH3+])CC2)c1[O-] ZINC000842480623 702726657 /nfs/dbraw/zinc/72/66/57/702726657.db2.gz VIYQAONJUIUXOX-UHFFFAOYSA-N 0 3 312.797 1.534 20 10 DDCDHN C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1c([O-])cccc1Cl ZINC000843429633 702879882 /nfs/dbraw/zinc/87/98/82/702879882.db2.gz YBEQIZXASOUVKL-LLVKDONJSA-N 0 3 311.813 1.597 20 10 DDCDHN COCc1nc(CNCC=Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000850360737 703727383 /nfs/dbraw/zinc/72/73/83/703727383.db2.gz OSBNRKNSHZJGRU-SNAWJCMRSA-N 0 3 301.394 1.820 20 10 DDCDHN COCCN(C[C@H]1CNCCO1)c1ccc(OC)c(OC)c1 ZINC000852746967 704112300 /nfs/dbraw/zinc/11/23/00/704112300.db2.gz VSSIUTJCAJJCEE-CQSZACIVSA-N 0 3 310.394 1.145 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)C3CCC3)C2)cc1 ZINC000852843843 704144673 /nfs/dbraw/zinc/14/46/73/704144673.db2.gz IHRICUXAKAYHGM-CJNGLKHVSA-N 0 3 303.406 1.518 20 10 DDCDHN [O-]c1ccc(Br)cc1CN1CCOC2(C[NH2+]C2)C1 ZINC000853249991 704224980 /nfs/dbraw/zinc/22/49/80/704224980.db2.gz XKIILBQWRVPBFX-UHFFFAOYSA-N 0 3 313.195 1.329 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC000855224054 704473990 /nfs/dbraw/zinc/47/39/90/704473990.db2.gz DVFZUYPSHVPNKV-CABCVRRESA-N 0 3 317.433 1.732 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@@]2(O)CCSC2)cc1F ZINC000858148051 704670567 /nfs/dbraw/zinc/67/05/67/704670567.db2.gz JNCSOUPTUDHTOR-AWEZNQCLSA-N 0 3 302.390 1.988 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)CN(C)C)cc1F ZINC000876756355 705859360 /nfs/dbraw/zinc/85/93/60/705859360.db2.gz SBOXPZVGDLJKLG-AWEZNQCLSA-N 0 3 310.417 1.177 20 10 DDCDHN CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000876922827 705924932 /nfs/dbraw/zinc/92/49/32/705924932.db2.gz MKGYGPFRPBGDNX-UHFFFAOYSA-N 0 3 312.435 1.604 20 10 DDCDHN COCCOCCN1CCN(Cc2c(C)cccc2O)CC1 ZINC000877615494 706160322 /nfs/dbraw/zinc/16/03/22/706160322.db2.gz SIQYUOQNDILLPJ-UHFFFAOYSA-N 0 3 308.422 1.481 20 10 DDCDHN Cc1cccc(O)c1CN1CCN(CCc2cnccn2)CC1 ZINC000877703429 706182322 /nfs/dbraw/zinc/18/23/22/706182322.db2.gz IURLTARPJMSFIF-UHFFFAOYSA-N 0 3 312.417 1.851 20 10 DDCDHN CC[C@H](O)[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247721 710140525 /nfs/dbraw/zinc/14/05/25/710140525.db2.gz UPSMJIWHZGTPMY-COXVUDFISA-N 0 3 321.465 1.879 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)CC2COC2)N(C)C)cc1 ZINC000891248577 710141011 /nfs/dbraw/zinc/14/10/11/710141011.db2.gz ZENRVZQIZDEWFK-INIZCTEOSA-N 0 3 305.422 1.508 20 10 DDCDHN CC[C@H](OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256370 710143722 /nfs/dbraw/zinc/14/37/22/710143722.db2.gz XOXXQSWSEGCGAK-HOTGVXAUSA-N 0 3 307.438 1.897 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cn[nH]c2)N(C)C)cc1 ZINC000891256242 710143889 /nfs/dbraw/zinc/14/38/89/710143889.db2.gz WDGUSRURBSCBSH-HNNXBMFYSA-N 0 3 301.394 1.508 20 10 DDCDHN CCc1nc([C@@H](C)NCc2ccc(OC)c(OC)c2O)n[nH]1 ZINC000893267454 710583201 /nfs/dbraw/zinc/58/32/01/710583201.db2.gz LIGCCMIMPCCFNB-SECBINFHSA-N 0 3 306.366 1.941 20 10 DDCDHN COc1ccc(CN2CC[C@@H](N3CCCC3=O)C2)c(O)c1OC ZINC000893982814 710910498 /nfs/dbraw/zinc/91/04/98/710910498.db2.gz DQQMLNYEWHPXJH-CYBMUJFWSA-N 0 3 320.389 1.606 20 10 DDCDHN Nc1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000904501666 711864893 /nfs/dbraw/zinc/86/48/93/711864893.db2.gz VTNVQGDJSJKUMG-GJZGRUSLSA-N 0 3 304.394 1.332 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000914220016 713361540 /nfs/dbraw/zinc/36/15/40/713361540.db2.gz HDPBNSSCINVTJO-KBPBESRZSA-N 0 3 307.369 1.957 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000914220016 713361541 /nfs/dbraw/zinc/36/15/41/713361541.db2.gz HDPBNSSCINVTJO-KBPBESRZSA-N 0 3 307.369 1.957 20 10 DDCDHN Cc1cc(Br)cc(CN2C[C@@H](F)[C@@H](N)C2)c1O ZINC001204837103 741703764 /nfs/dbraw/zinc/70/37/64/741703764.db2.gz QZQKCYWACNPDLZ-MNOVXSKESA-N 0 3 303.175 1.944 20 10 DDCDHN COc1cc(CN2CCC[C@@]3(CCNC3=O)C2)cc(O)c1O ZINC001204347635 743667984 /nfs/dbraw/zinc/66/79/84/743667984.db2.gz XAIHXJSLFYKZEF-MRXNPFEDSA-N 0 3 306.362 1.209 20 10 DDCDHN O=C(c1cc(O)c([O-])c(O)c1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001148584061 773538526 /nfs/dbraw/zinc/53/85/26/773538526.db2.gz MJQZOAGVFVALRG-CYBMUJFWSA-N 0 3 320.389 1.894 20 10 DDCDHN C[C@@H](CNC(=O)c1cc(O)c([O-])c(O)c1)CC(C)(C)CC[NH3+] ZINC001148590328 773541171 /nfs/dbraw/zinc/54/11/71/773541171.db2.gz HUCXBCBQQSKYLO-SNVBAGLBSA-N 0 3 310.394 1.934 20 10 DDCDHN C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589859 773541198 /nfs/dbraw/zinc/54/11/98/773541198.db2.gz NWNDMTLNJZWEQP-LLVKDONJSA-N 0 3 308.378 1.798 20 10 DDCDHN C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589859 773541200 /nfs/dbraw/zinc/54/12/00/773541200.db2.gz NWNDMTLNJZWEQP-LLVKDONJSA-N 0 3 308.378 1.798 20 10 DDCDHN CN(C)C[C@@H]1COCCN1C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180126027 779632388 /nfs/dbraw/zinc/63/23/88/779632388.db2.gz ACQARWBBHUDCFK-PYUISTEWSA-N 0 3 317.433 1.555 20 10 DDCDHN C[NH2+][C@@]12CC[C@@](NC(=O)c3cc(O)c([O-])c(O)c3)(C1)CCC2 ZINC001270069739 842269613 /nfs/dbraw/zinc/26/96/13/842269613.db2.gz PHBAWYQLVOJWDU-JKSUJKDBSA-N 0 3 306.362 1.598 20 10 DDCDHN Cc1cccc([O-])c1C[N@H+]1CCOC[C@]2(CC(=O)N(C)C2)C1 ZINC001274303035 852141201 /nfs/dbraw/zinc/14/12/01/852141201.db2.gz BHMUSMQOJYAVDV-KRWDZBQOSA-N 0 3 304.390 1.381 20 10 DDCDHN Cc1cccc([O-])c1C[N@@H+]1CCOC[C@]2(CC(=O)N(C)C2)C1 ZINC001274303035 852141204 /nfs/dbraw/zinc/14/12/04/852141204.db2.gz BHMUSMQOJYAVDV-KRWDZBQOSA-N 0 3 304.390 1.381 20 10 DDCDHN COCCOCN1CC2(C1)CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001275267467 852940838 /nfs/dbraw/zinc/94/08/38/852940838.db2.gz PDMWPATYEAHKIS-UHFFFAOYSA-N 0 3 320.433 1.911 20 10 DDCDHN COCCOCN1CC2(C1)CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001275267467 852940843 /nfs/dbraw/zinc/94/08/43/852940843.db2.gz PDMWPATYEAHKIS-UHFFFAOYSA-N 0 3 320.433 1.911 20 10 DDCDHN COCCOCN1CC2(C1)CN(Cc1ccc(C)cc1O)C2 ZINC001276169599 854873914 /nfs/dbraw/zinc/87/39/14/854873914.db2.gz SVJICQKEEDMMIO-UHFFFAOYSA-N 0 3 306.406 1.439 20 10 DDCDHN Oc1cccc(F)c1CN1CC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001276354443 855711614 /nfs/dbraw/zinc/71/16/14/855711614.db2.gz VDEFEJARZQFKFH-UHFFFAOYSA-N 0 3 302.353 1.572 20 10 DDCDHN CN1CCCc2cc(CN3CCN(CCCO)CC3)ccc21 ZINC001138354442 860070996 /nfs/dbraw/zinc/07/09/96/860070996.db2.gz KDGDMOSHRGPBJN-UHFFFAOYSA-N 0 3 303.450 1.569 20 10 DDCDHN CO[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1F ZINC001139404450 860388906 /nfs/dbraw/zinc/38/89/06/860388906.db2.gz HSUMMICZASLRRV-IRXDYDNUSA-N 0 3 307.413 1.607 20 10 DDCDHN O=C1C[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)CN1c1cncnc1 ZINC001203557032 870639326 /nfs/dbraw/zinc/63/93/26/870639326.db2.gz YZWHDLFRULMMFU-GOSISDBHSA-N 0 3 324.384 1.811 20 10 DDCDHN O=C1C[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)CN1c1cncnc1 ZINC001203557032 870639334 /nfs/dbraw/zinc/63/93/34/870639334.db2.gz YZWHDLFRULMMFU-GOSISDBHSA-N 0 3 324.384 1.811 20 10 DDCDHN O=C([C@@H]1CCCN(Cc2ccc(O)c(O)c2)C1)N1CCCC1 ZINC001203878215 870813336 /nfs/dbraw/zinc/81/33/36/870813336.db2.gz CXKLORAGOVFSQV-CQSZACIVSA-N 0 3 304.390 1.932 20 10 DDCDHN CCNC(=O)CO[C@H]1CCCN(Cc2ccc(O)cc2O)C1 ZINC001204279609 871037228 /nfs/dbraw/zinc/03/72/28/871037228.db2.gz CLBCYEOKLPFQHY-AWEZNQCLSA-N 0 3 308.378 1.215 20 10 DDCDHN C=C=CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001346859067 873916226 /nfs/dbraw/zinc/91/62/26/873916226.db2.gz GTDXAXZAPHDPLH-MRXNPFEDSA-N 0 3 302.422 1.996 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CCC2(CNC(=O)O2)CC1 ZINC001231854813 885911666 /nfs/dbraw/zinc/91/16/66/885911666.db2.gz MDBDWVWVXOWDFU-UHFFFAOYSA-N 0 3 319.405 1.836 20 10 DDCDHN CCN1CCN(c2ccc(O[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC001234657890 888173564 /nfs/dbraw/zinc/17/35/64/888173564.db2.gz LDYXIIWOISETDK-INIZCTEOSA-N 0 3 324.446 1.394 20 10 DDCDHN [O-]c1c(CN2CCNC[C@@]23CC[NH2+]C3)cccc1C(F)(F)F ZINC001234992723 888317000 /nfs/dbraw/zinc/31/70/00/888317000.db2.gz SPLSJKKLVAUZLO-AWEZNQCLSA-N 0 3 315.339 1.548 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)c([O-])c1 ZINC001249177496 893852609 /nfs/dbraw/zinc/85/26/09/893852609.db2.gz AVRQTHCLKJQKFH-SJKOYZFVSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)c([O-])c1 ZINC001249177496 893852633 /nfs/dbraw/zinc/85/26/33/893852633.db2.gz AVRQTHCLKJQKFH-SJKOYZFVSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+](C)CCC2OCCO2)c([O-])c1 ZINC001249208327 893868892 /nfs/dbraw/zinc/86/88/92/893868892.db2.gz RXUFDSCMCPPADY-UHFFFAOYSA-N 0 3 309.362 1.303 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCC2OCCO2)c([O-])c1 ZINC001249208327 893868914 /nfs/dbraw/zinc/86/89/14/893868914.db2.gz RXUFDSCMCPPADY-UHFFFAOYSA-N 0 3 309.362 1.303 20 10 DDCDHN Oc1ccc(CNC[C@H](O)COCc2ccccc2)cc1O ZINC001252303752 895072341 /nfs/dbraw/zinc/07/23/41/895072341.db2.gz UBWCTIGBRGNUPG-HNNXBMFYSA-N 0 3 303.358 1.765 20 10 DDCDHN [O-]c1cccc2c1C[N@H+](C[C@H](O)COCc1ccco1)CC2 ZINC001252639715 895332324 /nfs/dbraw/zinc/33/23/24/895332324.db2.gz FSXVYHOTJXNVAE-AWEZNQCLSA-N 0 3 303.358 1.921 20 10 DDCDHN [O-]c1cccc2c1C[N@@H+](C[C@H](O)COCc1ccco1)CC2 ZINC001252639715 895332340 /nfs/dbraw/zinc/33/23/40/895332340.db2.gz FSXVYHOTJXNVAE-AWEZNQCLSA-N 0 3 303.358 1.921 20 10 DDCDHN C[C@@](O)(C[NH2+]Cc1ccccc1[O-])C(=O)OCc1ccccc1 ZINC001253650703 895961301 /nfs/dbraw/zinc/96/13/01/895961301.db2.gz NITWWPHWTSTAAY-GOSISDBHSA-N 0 3 315.369 1.976 20 10 DDCDHN COc1cccc(CN2CCCN(c3ncccn3)CC2)c1O ZINC000093056635 353884198 /nfs/dbraw/zinc/88/41/98/353884198.db2.gz NSTLIXANRSGANZ-UHFFFAOYSA-N 0 3 314.389 1.903 20 10 DDCDHN COC[C@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000279646596 285379573 /nfs/dbraw/zinc/37/95/73/285379573.db2.gz DOTWJVIDEUEVIE-NSHDSACASA-N 0 3 306.328 1.868 20 10 DDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)c1 ZINC000273622731 130146337 /nfs/dbraw/zinc/14/63/37/130146337.db2.gz ZMVIIFMFWKXQEJ-UKRRQHHQSA-N 0 3 305.422 1.691 20 10 DDCDHN COc1ccc(O)c(CN2CC[C@H](NC(=O)NC3CC3)C2)c1 ZINC000273727904 130159678 /nfs/dbraw/zinc/15/96/78/130159678.db2.gz JOYFAURTRIHQCX-ZDUSSCGKSA-N 0 3 305.378 1.437 20 10 DDCDHN COc1cc(O)c(CN2CCN(C[C@H](C)O)C[C@@H]2C)cc1OC ZINC000284462620 131082264 /nfs/dbraw/zinc/08/22/64/131082264.db2.gz VEGSUHJCIMNFJM-STQMWFEESA-N 0 3 324.421 1.296 20 10 DDCDHN CN1CCCc2cc(CN[C@@H]3CCCS(=O)(=O)C3)ccc21 ZINC000069140827 406683758 /nfs/dbraw/zinc/68/37/58/406683758.db2.gz ZSKMKJQMIWKAJN-OAHLLOKOSA-N 0 3 308.447 1.736 20 10 DDCDHN CNCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000175896462 408231806 /nfs/dbraw/zinc/23/18/06/408231806.db2.gz FCLRZKVUXDCTAO-INIZCTEOSA-N 0 3 305.422 1.480 20 10 DDCDHN C[C@H](N)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000166291732 408815561 /nfs/dbraw/zinc/81/55/61/408815561.db2.gz NKOUUVQOBIRYKH-JTQLQIEISA-N 0 3 313.348 1.720 20 10 DDCDHN Cc1cc(Cl)cc(C[NH2+]CCCn2cc(CO)nn2)c1[O-] ZINC000291601545 408893791 /nfs/dbraw/zinc/89/37/91/408893791.db2.gz QLQNROHFDDNZJZ-UHFFFAOYSA-N 0 3 310.785 1.618 20 10 DDCDHN COC[C@H](NCc1cc(OC)c(OC)cc1O)[C@H]1CCCO1 ZINC000279510964 409228327 /nfs/dbraw/zinc/22/83/27/409228327.db2.gz XFZWIXOOZYRODO-GXTWGEPZSA-N 0 3 311.378 1.693 20 10 DDCDHN COC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@H]1CCCO1 ZINC000279510964 409228330 /nfs/dbraw/zinc/22/83/30/409228330.db2.gz XFZWIXOOZYRODO-GXTWGEPZSA-N 0 3 311.378 1.693 20 10 DDCDHN CCOc1cccc(CNCC2(S(C)(=O)=O)CCC2)c1O ZINC000279677721 409246380 /nfs/dbraw/zinc/24/63/80/409246380.db2.gz INSIRHSKVZKQCM-UHFFFAOYSA-N 0 3 313.419 1.848 20 10 DDCDHN COC1CCN(c2ccc(CN(CCO)C[C@@H](C)O)cc2)CC1 ZINC000295195177 409369279 /nfs/dbraw/zinc/36/92/79/409369279.db2.gz LYHCKDNUWFRRDQ-OAHLLOKOSA-N 0 3 322.449 1.477 20 10 DDCDHN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CO)CN1CCCCC1 ZINC000298489584 410251996 /nfs/dbraw/zinc/25/19/96/410251996.db2.gz GBNQRNPHHWTBPM-HZRUHFOJSA-N 0 3 320.389 1.074 20 10 DDCDHN CN(C)c1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000367460778 418600145 /nfs/dbraw/zinc/60/01/45/418600145.db2.gz JALIPTRDANCYDU-QZTJIDSGSA-N 0 3 303.450 1.784 20 10 DDCDHN CC[C@H](c1ccccc1O)N1CCN2C(=O)N(C)C(=O)[C@H]2C1 ZINC000372596239 418885707 /nfs/dbraw/zinc/88/57/07/418885707.db2.gz SANJGCFVNVYWGT-CHWSQXEVSA-N 0 3 303.362 1.422 20 10 DDCDHN CCOc1ccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c([O-])c1 ZINC000529668304 421551313 /nfs/dbraw/zinc/55/13/13/421551313.db2.gz ILZWZMMIQKHBGY-CALCHBBNSA-N 0 3 309.406 1.604 20 10 DDCDHN CCOc1ccc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c([O-])c1 ZINC000529668304 421551315 /nfs/dbraw/zinc/55/13/15/421551315.db2.gz ILZWZMMIQKHBGY-CALCHBBNSA-N 0 3 309.406 1.604 20 10 DDCDHN C[C@@H](Cn1cccn1)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000265063597 524951412 /nfs/dbraw/zinc/95/14/12/524951412.db2.gz MGBPVPICZHYCMN-AWEZNQCLSA-N 0 3 315.421 1.244 20 10 DDCDHN C[C@@H](N[C@@H](C)Cn1cncn1)c1ccc(N2CCOCC2)cc1 ZINC000164114464 525602227 /nfs/dbraw/zinc/60/22/27/525602227.db2.gz LYMNADXSXSJIFE-LSDHHAIUSA-N 0 3 315.421 1.854 20 10 DDCDHN CN(C)c1ccc(CN[C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000747622705 700078218 /nfs/dbraw/zinc/07/82/18/700078218.db2.gz VIXGDBYVKBAISK-KRWDZBQOSA-N 0 3 317.433 1.622 20 10 DDCDHN CC(C)CN(CC(N)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000092011436 696592045 /nfs/dbraw/zinc/59/20/45/696592045.db2.gz FLFNEQGUBMHWAA-UHFFFAOYSA-N 0 3 305.422 1.467 20 10 DDCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NC1CC1 ZINC000774482032 697884706 /nfs/dbraw/zinc/88/47/06/697884706.db2.gz DKVMUFAMERWHKI-VXGBXAGGSA-N 0 3 318.421 1.780 20 10 DDCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NC(=O)NC(C)C)c1 ZINC000775370932 697989356 /nfs/dbraw/zinc/98/93/56/697989356.db2.gz XNMKRQDAQSHWHN-WDEREUQCSA-N 0 3 323.393 1.674 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCc2ccccn2)c1 ZINC000775374438 697989896 /nfs/dbraw/zinc/98/98/96/697989896.db2.gz BUOOSSQYQKTAKY-GFCCVEGCSA-N 0 3 315.373 1.763 20 10 DDCDHN CC[C@@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1ccc(C)cc1[O-] ZINC000793567443 699765471 /nfs/dbraw/zinc/76/54/71/699765471.db2.gz LVMJTWHQNQFZIX-CYBMUJFWSA-N 0 3 318.377 1.820 20 10 DDCDHN C[C@](O)(CO)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000794747725 699828751 /nfs/dbraw/zinc/82/87/51/699828751.db2.gz FEVNUFQCUIJZIS-MRXNPFEDSA-N 0 3 323.393 1.418 20 10 DDCDHN COC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440872 701176901 /nfs/dbraw/zinc/17/69/01/701176901.db2.gz USKPSAWJWDGUKL-DOMZBBRYSA-N 0 3 321.373 1.736 20 10 DDCDHN COC(=O)C[C@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768440872 701176902 /nfs/dbraw/zinc/17/69/02/701176902.db2.gz USKPSAWJWDGUKL-DOMZBBRYSA-N 0 3 321.373 1.736 20 10 DDCDHN C[N@H+](CCc1nccs1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462050 701179972 /nfs/dbraw/zinc/17/99/72/701179972.db2.gz IAWDCDSIRUOVOU-ZDUSSCGKSA-N 0 3 306.387 1.949 20 10 DDCDHN C[N@@H+](CCc1nccs1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462050 701179973 /nfs/dbraw/zinc/17/99/73/701179973.db2.gz IAWDCDSIRUOVOU-ZDUSSCGKSA-N 0 3 306.387 1.949 20 10 DDCDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)N1CCC(C)CC1 ZINC000841023194 702313356 /nfs/dbraw/zinc/31/33/56/702313356.db2.gz QCXSTVVVLVRUGS-ZDUSSCGKSA-N 0 3 318.421 1.444 20 10 DDCDHN CCOC(=O)[C@@H]1NCC[C@@H]1NCc1ccc2c(c1)CCCN2C ZINC000817900936 702513269 /nfs/dbraw/zinc/51/32/69/702513269.db2.gz RSDLFDMZDYMEDG-DOTOQJQBSA-N 0 3 317.433 1.452 20 10 DDCDHN C[C@H]([NH2+]C[C@@H]1CNCCO1)c1cc(Br)ccc1[O-] ZINC000817982814 702542933 /nfs/dbraw/zinc/54/29/33/702542933.db2.gz HVGLAHRHUUSVPC-ONGXEEELSA-N 0 3 315.211 1.794 20 10 DDCDHN COc1ccc(N2CCN(CCCCCO)CC2)c(OC)c1 ZINC000879463032 706686246 /nfs/dbraw/zinc/68/62/46/706686246.db2.gz ZPCXHJVBNXMGNY-UHFFFAOYSA-N 0 3 308.422 1.988 20 10 DDCDHN CN(C)c1ccc(/C=C\CN2CC(N3CC[C@@H](O)C3)C2)cc1 ZINC000843423635 702878257 /nfs/dbraw/zinc/87/82/57/702878257.db2.gz HLZBOAFDFQLREG-DDKKJVIOSA-N 0 3 301.434 1.517 20 10 DDCDHN CCN1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000879652226 706750109 /nfs/dbraw/zinc/75/01/09/706750109.db2.gz XIMLTFGERARKRF-UONOGXRCSA-N 0 3 305.422 1.595 20 10 DDCDHN CCOC(=O)CCCNC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653489 706750151 /nfs/dbraw/zinc/75/01/51/706750151.db2.gz PWHOVNXFMQVFHZ-LBPRGKRZSA-N 0 3 308.378 1.502 20 10 DDCDHN COC(=O)CCN1CCC[C@H](N(C)Cc2ccccc2O)C1=O ZINC000851841043 703868310 /nfs/dbraw/zinc/86/83/10/703868310.db2.gz MLXBDMHDVGRSAY-AWEZNQCLSA-N 0 3 320.389 1.378 20 10 DDCDHN [O-]c1ccccc1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000858243582 704683786 /nfs/dbraw/zinc/68/37/86/704683786.db2.gz LJJMFGQBHYWQQA-ZDUSSCGKSA-N 0 3 310.361 1.198 20 10 DDCDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875370326 705367003 /nfs/dbraw/zinc/36/70/03/705367003.db2.gz CRIHPKSSIUYJBT-XHDPSFHLSA-N 0 3 301.390 1.900 20 10 DDCDHN CCN(C)C(=O)[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877468568 706116021 /nfs/dbraw/zinc/11/60/21/706116021.db2.gz JZFGYIWJGOUAJE-AWEZNQCLSA-N 0 3 319.449 1.604 20 10 DDCDHN Cc1cc(Cl)cc(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1[O-] ZINC000877667734 706174764 /nfs/dbraw/zinc/17/47/64/706174764.db2.gz KEPDRIQDEYXWBQ-HOTGVXAUSA-N 0 3 322.792 1.839 20 10 DDCDHN CCc1cccc(CN2CC[C@@]3(CC(C(=O)OC)=NO3)C2)c1O ZINC000877712113 706185449 /nfs/dbraw/zinc/18/54/49/706185449.db2.gz FZVPRXWCZADSCR-QGZVFWFLSA-N 0 3 318.373 1.848 20 10 DDCDHN COC(=O)CC[C@H](N)C(=O)NCCCSc1nccs1 ZINC000829528837 706350755 /nfs/dbraw/zinc/35/07/55/706350755.db2.gz ZYIXWLQJGCRZAR-VIFPVBQESA-N 0 3 317.436 1.022 20 10 DDCDHN CN(C)c1ccc(CNC2CN(c3ccncn3)C2)cc1F ZINC000865748803 706515370 /nfs/dbraw/zinc/51/53/70/706515370.db2.gz DCLTZSSVDPNCRE-UHFFFAOYSA-N 0 3 301.369 1.660 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000927022577 712931412 /nfs/dbraw/zinc/93/14/12/712931412.db2.gz FRBFIUCEGURXIV-KKZNHRDASA-N 0 3 317.382 1.075 20 10 DDCDHN [O-]c1ccccc1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000883371925 707986218 /nfs/dbraw/zinc/98/62/18/707986218.db2.gz FLNRDIKRNPPNSE-KRWDZBQOSA-N 0 3 319.449 1.278 20 10 DDCDHN COCC[C@@H](N)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000884305047 708235172 /nfs/dbraw/zinc/23/51/72/708235172.db2.gz KJYYXVRYMABUCF-HUUCEWRRSA-N 0 3 322.405 1.264 20 10 DDCDHN COCC[C@@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000884306984 708236307 /nfs/dbraw/zinc/23/63/07/708236307.db2.gz UJFXAJULCXYPMM-MRXNPFEDSA-N 0 3 307.438 1.853 20 10 DDCDHN CN(C)c1ccc(CNCCS(=O)(=O)N2CCCC2)cc1 ZINC000897831958 708464956 /nfs/dbraw/zinc/46/49/56/708464956.db2.gz FRHMBFKUOOYBDB-UHFFFAOYSA-N 0 3 311.451 1.268 20 10 DDCDHN CCn1ncnc1CNC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898447226 708642904 /nfs/dbraw/zinc/64/29/04/708642904.db2.gz HNUIMZUTLYRGSQ-INIZCTEOSA-N 0 3 316.453 1.757 20 10 DDCDHN C[C@H](O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099114 708982411 /nfs/dbraw/zinc/98/24/11/708982411.db2.gz VPVBNSNRHCMHSV-BBRMVZONSA-N 0 3 322.453 1.425 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)CCF)N(C)C)cc1 ZINC000899101594 708983309 /nfs/dbraw/zinc/98/33/09/708983309.db2.gz IZKCTFCLOGMEBL-OAHLLOKOSA-N 0 3 310.417 1.966 20 10 DDCDHN CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102850 708984197 /nfs/dbraw/zinc/98/41/97/708984197.db2.gz SQZDOECXPBOYEG-GOEBONIOSA-N 0 3 322.453 1.425 20 10 DDCDHN C[C@@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185718 709319569 /nfs/dbraw/zinc/31/95/69/709319569.db2.gz RBABPDADSCLKFA-SMDDNHRTSA-N 0 3 304.394 1.296 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)COC2CC2)N(C)C)cc1 ZINC000891248522 710141326 /nfs/dbraw/zinc/14/13/26/710141326.db2.gz XXHNCPFZQWACEM-MRXNPFEDSA-N 0 3 305.422 1.651 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H](O)C(C)(C)C)N(C)C)cc1 ZINC000891250158 710141903 /nfs/dbraw/zinc/14/19/03/710141903.db2.gz ZSHOKEQVKAYRDS-HOTGVXAUSA-N 0 3 321.465 1.879 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)C2CCOCC2)N(C)C)cc1 ZINC000891252066 710142393 /nfs/dbraw/zinc/14/23/93/710142393.db2.gz FMYNBFSSHCSWNU-KRWDZBQOSA-N 0 3 319.449 1.898 20 10 DDCDHN CCn1cccc(CNCc2ccc(OC)c(OC)c2O)c1=O ZINC000894106083 710969303 /nfs/dbraw/zinc/96/93/03/710969303.db2.gz ITMYQDPUJBTRQN-UHFFFAOYSA-N 0 3 318.373 1.881 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCc2cnc3n2CCOC3)c1 ZINC000922217953 713993938 /nfs/dbraw/zinc/99/39/38/713993938.db2.gz XMXNQBJQFQVFTH-NSHDSACASA-N 0 3 303.362 1.978 20 10 DDCDHN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(O)c([O-])c(O)c2)[C@H](C)C1 ZINC001148590335 773542681 /nfs/dbraw/zinc/54/26/81/773542681.db2.gz HUUQDQSEPRAPEF-ZYHUDNBSSA-N 0 3 308.378 1.652 20 10 DDCDHN CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(O)c([O-])c(O)c2)[C@H](C)C1 ZINC001148590335 773542687 /nfs/dbraw/zinc/54/26/87/773542687.db2.gz HUUQDQSEPRAPEF-ZYHUDNBSSA-N 0 3 308.378 1.652 20 10 DDCDHN CS(=O)(=O)[C@H]1C[C@H](NCc2ccc(N3CCCC3)cc2)C1 ZINC001119345205 781413294 /nfs/dbraw/zinc/41/32/94/781413294.db2.gz KLYYQMTVOUNDIM-KOMQPUFPSA-N 0 3 308.447 1.952 20 10 DDCDHN O=C(NC1COC1)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618834 846417625 /nfs/dbraw/zinc/41/76/25/846417625.db2.gz PBENRCKHJBVMEQ-OAHLLOKOSA-N 0 3 316.401 1.509 20 10 DDCDHN Cc1ccc(C[N@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)c([O-])c1 ZINC001272765794 847395864 /nfs/dbraw/zinc/39/58/64/847395864.db2.gz KOBTUGCLWQCMSI-KRWDZBQOSA-N 0 3 302.374 1.672 20 10 DDCDHN Cc1ccc(C[N@@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)c([O-])c1 ZINC001272765794 847395876 /nfs/dbraw/zinc/39/58/76/847395876.db2.gz KOBTUGCLWQCMSI-KRWDZBQOSA-N 0 3 302.374 1.672 20 10 DDCDHN C[NH+](C)CCN1CCC12CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001275271924 852942047 /nfs/dbraw/zinc/94/20/47/852942047.db2.gz ORVIQPZBOXYQEO-UHFFFAOYSA-N 0 3 309.841 1.867 20 10 DDCDHN Oc1ccc(O)c(CN2C[C@@H]3OCCN(C4CCCC4)[C@H]3C2)c1 ZINC001275418554 853096468 /nfs/dbraw/zinc/09/64/68/853096468.db2.gz FRHNRAZFQMGETK-WMZOPIPTSA-N 0 3 318.417 1.925 20 10 DDCDHN CN1CCCc2cc(CN3CC[C@@H](O)[C@](C)(CO)C3)ccc21 ZINC001138354401 860072303 /nfs/dbraw/zinc/07/23/03/860072303.db2.gz IGIVDSZSWOAVER-MSOLQXFVSA-N 0 3 304.434 1.634 20 10 DDCDHN CC(=O)N(C)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138499734 860119284 /nfs/dbraw/zinc/11/92/84/860119284.db2.gz GSCOISSKNJYIQW-SFHVURJKSA-N 0 3 317.433 1.576 20 10 DDCDHN COc1cc(CN2CCC[C@@H](F)C(=O)C2)cc(CN(C)C)c1O ZINC001139252928 860336214 /nfs/dbraw/zinc/33/62/14/860336214.db2.gz FURQRPIWSWNFFC-CQSZACIVSA-N 0 3 324.396 1.965 20 10 DDCDHN COc1cc(CN2CCCC(=O)[C@@H](F)C2)cc(CN(C)C)c1O ZINC001139255611 860338993 /nfs/dbraw/zinc/33/89/93/860338993.db2.gz QBTQVCBBSDJNMC-AWEZNQCLSA-N 0 3 324.396 1.965 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2CCC3(CCNC3=O)CC2)c1O ZINC001333071612 866391155 /nfs/dbraw/zinc/39/11/55/866391155.db2.gz QLCJTBSRRMVGHH-UHFFFAOYSA-N 0 3 320.364 1.836 20 10 DDCDHN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCCCN1CCO ZINC001325295487 867923366 /nfs/dbraw/zinc/92/33/66/867923366.db2.gz GYPDYPUPHRNJQS-VSKVDJIOSA-N 0 3 320.389 1.074 20 10 DDCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@H]1COCCO1 ZINC001335457858 868312047 /nfs/dbraw/zinc/31/20/47/868312047.db2.gz YIJVCAISBPYZPA-HOTGVXAUSA-N 0 3 307.390 1.789 20 10 DDCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@H]1COCCO1 ZINC001335457858 868312060 /nfs/dbraw/zinc/31/20/60/868312060.db2.gz YIJVCAISBPYZPA-HOTGVXAUSA-N 0 3 307.390 1.789 20 10 DDCDHN COc1cccc(CN2CC[C@@H](Oc3ncc(F)cn3)C2)c1O ZINC001203601840 870663826 /nfs/dbraw/zinc/66/38/26/870663826.db2.gz NHFZZEJMMXQZKK-CYBMUJFWSA-N 0 3 319.336 1.983 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CCN(Cc3ccc(O)c(O)c3)CC[C@@H]21 ZINC001203879031 870815198 /nfs/dbraw/zinc/81/51/98/870815198.db2.gz ZGKQCFKCBVCALS-WMLDXEAASA-N 0 3 320.389 1.310 20 10 DDCDHN CCCNC(=O)COC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204281813 871037179 /nfs/dbraw/zinc/03/71/79/871037179.db2.gz LATQVCFQQRWYCB-UHFFFAOYSA-N 0 3 322.405 1.605 20 10 DDCDHN COc1ccc(CNC(=O)NC[C@@H]2CCCCN2C)c(O)c1 ZINC001341351863 871618084 /nfs/dbraw/zinc/61/80/84/871618084.db2.gz LLZJXBASADUUAL-ZDUSSCGKSA-N 0 3 307.394 1.684 20 10 DDCDHN Cc1cc([O-])c(CN2CC[C@@H]([NH3+])[C@H](O)C2)cc1Br ZINC001205973443 871970171 /nfs/dbraw/zinc/97/01/71/871970171.db2.gz SWIKMCOBSHWDSD-DGCLKSJQSA-N 0 3 315.211 1.357 20 10 DDCDHN CCO[C@H]1C[C@](N)(C(=O)NCc2c(O)cccc2F)C1(C)C ZINC001342613476 872293529 /nfs/dbraw/zinc/29/35/29/872293529.db2.gz OIIUKQJEPBANMM-BBRMVZONSA-N 0 3 310.369 1.680 20 10 DDCDHN CCN(C(C)=O)C1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487130 887022227 /nfs/dbraw/zinc/02/22/27/887022227.db2.gz RCZOZOJMAOOJHT-UHFFFAOYSA-N 0 3 308.378 1.636 20 10 DDCDHN Cc1cccc(O)c1CN1CCN(c2ncc(O)cn2)CC1 ZINC001237490734 889665080 /nfs/dbraw/zinc/66/50/80/889665080.db2.gz FDGKYOCITIKWCT-UHFFFAOYSA-N 0 3 300.362 1.518 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](CCO)C2)c([O-])c1 ZINC001249208549 893868814 /nfs/dbraw/zinc/86/88/14/893868814.db2.gz VVANAODDGMUFBN-CYBMUJFWSA-N 0 3 307.390 1.702 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](CCO)C2)c([O-])c1 ZINC001249208549 893868818 /nfs/dbraw/zinc/86/88/18/893868818.db2.gz VVANAODDGMUFBN-CYBMUJFWSA-N 0 3 307.390 1.702 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCCNC1=O ZINC000009976591 352137874 /nfs/dbraw/zinc/13/78/74/352137874.db2.gz HPYPHHACMQAZNT-KRWDZBQOSA-N 0 3 317.433 1.624 20 10 DDCDHN CCOc1cccc(CN2CCC[C@H](N3CCNC3=O)C2)c1O ZINC000092188668 353846490 /nfs/dbraw/zinc/84/64/90/353846490.db2.gz ZPXKRGSTZZQNSG-AWEZNQCLSA-N 0 3 319.405 1.781 20 10 DDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1C ZINC000092188621 353847063 /nfs/dbraw/zinc/84/70/63/353847063.db2.gz PBPITRBMHZCHAB-OAHLLOKOSA-N 0 3 303.406 1.999 20 10 DDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1C ZINC000092188621 353847066 /nfs/dbraw/zinc/84/70/66/353847066.db2.gz PBPITRBMHZCHAB-OAHLLOKOSA-N 0 3 303.406 1.999 20 10 DDCDHN COc1cccc(CNC(=O)NCCN2CCC(C)CC2)c1O ZINC000073659717 191338407 /nfs/dbraw/zinc/33/84/07/191338407.db2.gz HKUJPLXYAWILDT-UHFFFAOYSA-N 0 3 321.421 1.932 20 10 DDCDHN CCN1CCN([C@H]2CCN(Cc3ccc(N(C)C)cc3)C2)CC1 ZINC000093132619 193205176 /nfs/dbraw/zinc/20/51/76/193205176.db2.gz UXBQDUPAHYWKAZ-IBGZPJMESA-N 0 3 316.493 1.964 20 10 DDCDHN Cc1ccc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c([O-])c1O ZINC000272793409 130063684 /nfs/dbraw/zinc/06/36/84/130063684.db2.gz XFAUXDJVRNYGNY-UHFFFAOYSA-N 0 3 322.405 1.371 20 10 DDCDHN O=C1NC(=O)C2(CCC([NH2+]Cc3cc(F)ccc3[O-])CC2)N1 ZINC000289211822 131366252 /nfs/dbraw/zinc/36/62/52/131366252.db2.gz CBFOBUPYSGEJSM-UHFFFAOYSA-N 0 3 307.325 1.142 20 10 DDCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCN(C)C ZINC000298585336 132069778 /nfs/dbraw/zinc/06/97/78/132069778.db2.gz GJEMGYVBPMPXBO-UHFFFAOYSA-N 0 3 321.421 1.151 20 10 DDCDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC000076117286 406956305 /nfs/dbraw/zinc/95/63/05/406956305.db2.gz ISUIPPGXAOVTHY-HNNXBMFYSA-N 0 3 317.433 1.828 20 10 DDCDHN COc1cc([O-])c(C[N@H+](C)CC2(O)CCOCC2)cc1OC ZINC000275870222 408703345 /nfs/dbraw/zinc/70/33/45/408703345.db2.gz JURAJRAUZDDFKQ-UHFFFAOYSA-N 0 3 311.378 1.383 20 10 DDCDHN COc1cc([O-])c(C[N@@H+](C)CC2(O)CCOCC2)cc1OC ZINC000275870222 408703352 /nfs/dbraw/zinc/70/33/52/408703352.db2.gz JURAJRAUZDDFKQ-UHFFFAOYSA-N 0 3 311.378 1.383 20 10 DDCDHN CC[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)c1ccccc1[O-] ZINC000277006328 408903505 /nfs/dbraw/zinc/90/35/05/408903505.db2.gz BFVPHJYLMZVXGV-CYBMUJFWSA-N 0 3 315.439 1.265 20 10 DDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(OCCO)CCOCC2)c1 ZINC000281912992 408953161 /nfs/dbraw/zinc/95/31/61/408953161.db2.gz ACXRADUSFREVFY-AWEZNQCLSA-N 0 3 309.406 1.909 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](O)CC2)cc1 ZINC000293151422 409058786 /nfs/dbraw/zinc/05/87/86/409058786.db2.gz OFZSVPNQMBIIGF-QGZVFWFLSA-N 0 3 319.449 1.558 20 10 DDCDHN CCOCc1cc(CNC[C@@]2(O)CCO[C@H]2C)ccc1OC ZINC000278607228 409085743 /nfs/dbraw/zinc/08/57/43/409085743.db2.gz IMZRMEUEZAZSLV-GUYCJALGSA-N 0 3 309.406 1.861 20 10 DDCDHN [O-]c1cc(F)c(Cl)cc1CNC[C@H](O)C[NH+]1CCCC1 ZINC000294325991 409280315 /nfs/dbraw/zinc/28/03/15/409280315.db2.gz RHVYFEIMVJGUOM-NSHDSACASA-N 0 3 302.777 1.731 20 10 DDCDHN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000294325991 409280317 /nfs/dbraw/zinc/28/03/17/409280317.db2.gz RHVYFEIMVJGUOM-NSHDSACASA-N 0 3 302.777 1.731 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000294971960 409307790 /nfs/dbraw/zinc/30/77/90/409307790.db2.gz FTUGYZNABDRLDX-AAEUAGOBSA-N 0 3 300.424 1.761 20 10 DDCDHN COc1ccc(O)c(CN[C@H]2COc3ccccc3[C@H]2O)c1 ZINC000290262385 409339822 /nfs/dbraw/zinc/33/98/22/409339822.db2.gz WUYVDCZRGTXGEY-WMLDXEAASA-N 0 3 301.342 1.985 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1 ZINC000290262385 409339828 /nfs/dbraw/zinc/33/98/28/409339828.db2.gz WUYVDCZRGTXGEY-WMLDXEAASA-N 0 3 301.342 1.985 20 10 DDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000318172204 409875215 /nfs/dbraw/zinc/87/52/15/409875215.db2.gz IMNBOVQCBDYASD-CQSZACIVSA-N 0 3 305.353 1.887 20 10 DDCDHN COc1ccc(N2CCCN(CCn3cncn3)CC2)cc1 ZINC000377519915 418710450 /nfs/dbraw/zinc/71/04/50/418710450.db2.gz QPHPVUXZVOVASU-UHFFFAOYSA-N 0 3 301.394 1.499 20 10 DDCDHN CCN1C(=O)[C@@H]2CN(Cc3cccc(C)c3O)CCN2C1=O ZINC000378443791 418723482 /nfs/dbraw/zinc/72/34/82/418723482.db2.gz UHIKTTIRKIJCDU-ZDUSSCGKSA-N 0 3 303.362 1.169 20 10 DDCDHN Cn1ccc(N2CC[C@H]([NH2+]Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000371716148 418811596 /nfs/dbraw/zinc/81/15/96/418811596.db2.gz VKYPPIRZKMMANN-LBPRGKRZSA-N 0 3 316.361 1.223 20 10 DDCDHN Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cc(F)ccc2[O-])cn1 ZINC000372595476 418885648 /nfs/dbraw/zinc/88/56/48/418885648.db2.gz ZFAXBCAKMRLCAZ-CJNGLKHVSA-N 0 3 318.352 1.374 20 10 DDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@@]12CCCO2 ZINC000273628316 276345895 /nfs/dbraw/zinc/34/58/95/276345895.db2.gz SEASISQGJFCAKN-ZACQAIPSSA-N 0 3 321.373 1.937 20 10 DDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131588092 523384424 /nfs/dbraw/zinc/38/44/24/523384424.db2.gz KUBMMLYMDAAFQV-ZDUSSCGKSA-N 0 3 312.435 1.496 20 10 DDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131588092 523384434 /nfs/dbraw/zinc/38/44/34/523384434.db2.gz KUBMMLYMDAAFQV-ZDUSSCGKSA-N 0 3 312.435 1.496 20 10 DDCDHN C[C@@H](CC(N)=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000267270957 524416423 /nfs/dbraw/zinc/41/64/23/524416423.db2.gz SEFSJXDKBFYDOW-NSHDSACASA-N 0 3 309.385 1.140 20 10 DDCDHN COc1ccc(O)c(CN2CCC(N3CCCNC3=O)CC2)c1 ZINC000180466246 524736412 /nfs/dbraw/zinc/73/64/12/524736412.db2.gz YCHHPESWAGMCAE-UHFFFAOYSA-N 0 3 319.405 1.781 20 10 DDCDHN C[C@H](CNC(=O)NCc1ccccc1O)CN1CCN(C)CC1 ZINC000745789857 699994082 /nfs/dbraw/zinc/99/40/82/699994082.db2.gz REXTZYRRLNGFSQ-CQSZACIVSA-N 0 3 320.437 1.075 20 10 DDCDHN CCN(CC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051589548 696244238 /nfs/dbraw/zinc/24/42/38/696244238.db2.gz BAGYQUUBPFJHFW-UHFFFAOYSA-N 0 3 323.412 1.620 20 10 DDCDHN CCNS(=O)(=O)[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000092304551 696593682 /nfs/dbraw/zinc/59/36/82/696593682.db2.gz IHXDDENPEGCBGG-OAHLLOKOSA-N 0 3 324.446 1.395 20 10 DDCDHN COC(=O)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000159200458 697308187 /nfs/dbraw/zinc/30/81/87/697308187.db2.gz CQLZVXPFGXKGEK-UHFFFAOYSA-N 0 3 318.417 1.908 20 10 DDCDHN COc1c([O-])c(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000775029054 697955863 /nfs/dbraw/zinc/95/58/63/697955863.db2.gz JIHLFTDLPWOSGS-ZYHUDNBSSA-N 0 3 309.366 1.881 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CNCCO1 ZINC000317098693 698695385 /nfs/dbraw/zinc/69/53/85/698695385.db2.gz KSBXOSWHGRCBEP-MRXNPFEDSA-N 0 3 305.422 1.480 20 10 DDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@H]1C ZINC000787244263 699199468 /nfs/dbraw/zinc/19/94/68/699199468.db2.gz YDBMXYJCHZOYQZ-DRCTWCGVSA-N 0 3 307.346 1.201 20 10 DDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@H]1C ZINC000787244263 699199471 /nfs/dbraw/zinc/19/94/71/699199471.db2.gz YDBMXYJCHZOYQZ-DRCTWCGVSA-N 0 3 307.346 1.201 20 10 DDCDHN COC(=O)[C@](C)(O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000788018917 699267657 /nfs/dbraw/zinc/26/76/57/699267657.db2.gz GSOKGQOKQLWYSD-WMLDXEAASA-N 0 3 323.389 1.297 20 10 DDCDHN COC(=O)[C@](C)(O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000788018917 699267661 /nfs/dbraw/zinc/26/76/61/699267661.db2.gz GSOKGQOKQLWYSD-WMLDXEAASA-N 0 3 323.389 1.297 20 10 DDCDHN O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000790458136 699461744 /nfs/dbraw/zinc/46/17/44/699461744.db2.gz ILFQBIPXHSODOD-SWLSCSKDSA-N 0 3 318.373 1.015 20 10 DDCDHN O=C1CCCN1[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000790458136 699461746 /nfs/dbraw/zinc/46/17/46/699461746.db2.gz ILFQBIPXHSODOD-SWLSCSKDSA-N 0 3 318.373 1.015 20 10 DDCDHN O=C1CCCN1[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000790458136 699461747 /nfs/dbraw/zinc/46/17/47/699461747.db2.gz ILFQBIPXHSODOD-SWLSCSKDSA-N 0 3 318.373 1.015 20 10 DDCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)N1CCNC1=O ZINC000732205039 699549960 /nfs/dbraw/zinc/54/99/60/699549960.db2.gz XXGGXBMYYCVZKR-UHFFFAOYSA-N 0 3 317.389 1.689 20 10 DDCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)N1CCNC1=O ZINC000732205039 699549961 /nfs/dbraw/zinc/54/99/61/699549961.db2.gz XXGGXBMYYCVZKR-UHFFFAOYSA-N 0 3 317.389 1.689 20 10 DDCDHN CNS(=O)(=O)[C@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000733301641 699587778 /nfs/dbraw/zinc/58/77/78/699587778.db2.gz VRLUVTRIZYTRDO-HNNXBMFYSA-N 0 3 324.446 1.395 20 10 DDCDHN O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(O)c1[O-] ZINC000790719649 699593648 /nfs/dbraw/zinc/59/36/48/699593648.db2.gz WTTPRMJCMAJQFJ-ZDUSSCGKSA-N 0 3 320.389 1.471 20 10 DDCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NC ZINC000801595498 700325411 /nfs/dbraw/zinc/32/54/11/700325411.db2.gz MMFARRBXWQKEBN-LBPRGKRZSA-N 0 3 307.394 1.838 20 10 DDCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NC ZINC000801595498 700325414 /nfs/dbraw/zinc/32/54/14/700325414.db2.gz MMFARRBXWQKEBN-LBPRGKRZSA-N 0 3 307.394 1.838 20 10 DDCDHN CN1CCN(c2ccc(CN3CC[C@@](F)(CO)C3)cc2)CC1 ZINC000802660615 700416479 /nfs/dbraw/zinc/41/64/79/700416479.db2.gz RHHPGKVPNMHFDU-KRWDZBQOSA-N 0 3 307.413 1.345 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]CC2(C(N)=O)CCOCC2)c2c1c(F)ccc2[O-] ZINC000756404269 700619931 /nfs/dbraw/zinc/61/99/31/700619931.db2.gz SUILGGGPNICJMF-PWSUYJOCSA-N 0 3 322.380 1.951 20 10 DDCDHN COc1cccc(O)c1CN1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000761228159 700851671 /nfs/dbraw/zinc/85/16/71/700851671.db2.gz ICQGEPVGCNOZCQ-GFCCVEGCSA-N 0 3 305.378 1.437 20 10 DDCDHN COc1cc(CN2CC[C@@H](OC(=O)N(C)C)C2)c(O)cc1C ZINC000840106771 701971540 /nfs/dbraw/zinc/97/15/40/701971540.db2.gz KPWJJNZTPNKWFK-CYBMUJFWSA-N 0 3 308.378 1.982 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](n3cccn3)C1)[C@@H](O)CO2 ZINC000812296370 702141025 /nfs/dbraw/zinc/14/10/25/702141025.db2.gz NJNZNNACIPBZCC-DOMZBBRYSA-N 0 3 301.346 1.462 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](n3cccn3)C1)[C@@H](O)CO2 ZINC000812296370 702141027 /nfs/dbraw/zinc/14/10/27/702141027.db2.gz NJNZNNACIPBZCC-DOMZBBRYSA-N 0 3 301.346 1.462 20 10 DDCDHN CCOC(=O)[C@@H]1NCC[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000817900657 702513482 /nfs/dbraw/zinc/51/34/82/702513482.db2.gz UYDLREGGPJFMKQ-DLBZAZTESA-N 0 3 317.433 1.670 20 10 DDCDHN COc1ccc(N(C)CCN(C)CCNC(=O)NC(C)C)cc1 ZINC000844400383 703026127 /nfs/dbraw/zinc/02/61/27/703026127.db2.gz BBNUCCUJSWZVEZ-UHFFFAOYSA-N 0 3 322.453 1.771 20 10 DDCDHN CN(C)c1ccc(/C=C/CN[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000846030444 703229055 /nfs/dbraw/zinc/22/90/55/703229055.db2.gz DKAWKABSZFFRBU-MBVDDHJVSA-N 0 3 323.462 1.389 20 10 DDCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)CC1)c1ccccc1[O-] ZINC000879649096 706749654 /nfs/dbraw/zinc/74/96/54/706749654.db2.gz LSMRHRVASDPFCT-NEPJUHHUSA-N 0 3 319.405 1.155 20 10 DDCDHN COc1ccc(N2CC[C@H](N[C@@H]3CCCS(=O)(=O)C3)C2)cc1 ZINC000850487147 703733647 /nfs/dbraw/zinc/73/36/47/703733647.db2.gz GLIYLWWIGWXUJX-UONOGXRCSA-N 0 3 324.446 1.441 20 10 DDCDHN C[C@@H]1CN(CCNCc2cc(F)c(N(C)C)cc2F)CCO1 ZINC000858127984 704668590 /nfs/dbraw/zinc/66/85/90/704668590.db2.gz XFRRZVRVIYOUBL-GFCCVEGCSA-N 0 3 313.392 1.841 20 10 DDCDHN CCOc1ccc(C[NH2+]C[C@H]2CCCCN2CCO)c([O-])c1 ZINC000824583800 705487210 /nfs/dbraw/zinc/48/72/10/705487210.db2.gz QZYHPSLCINHZDJ-OAHLLOKOSA-N 0 3 308.422 1.727 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c([O-])c1 ZINC000826994365 705908698 /nfs/dbraw/zinc/90/86/98/705908698.db2.gz FECCGECCNVAOOY-CYBMUJFWSA-N 0 3 306.362 1.817 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c([O-])c1 ZINC000826994365 705908702 /nfs/dbraw/zinc/90/87/02/705908702.db2.gz FECCGECCNVAOOY-CYBMUJFWSA-N 0 3 306.362 1.817 20 10 DDCDHN CCN(CC)c1ccc(CNCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000863649494 705976499 /nfs/dbraw/zinc/97/64/99/705976499.db2.gz ZVENJDIHJHHIHN-UHFFFAOYSA-N 0 3 315.421 1.777 20 10 DDCDHN CC[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000927021039 712931590 /nfs/dbraw/zinc/93/15/90/712931590.db2.gz ACOYYCPKYLZDHY-DGCLKSJQSA-N 0 3 301.408 1.147 20 10 DDCDHN COCC[C@H](N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000884213901 708193299 /nfs/dbraw/zinc/19/32/99/708193299.db2.gz OKKCQEPANQEBKB-KRWDZBQOSA-N 0 3 319.449 1.903 20 10 DDCDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC000897043868 708214661 /nfs/dbraw/zinc/21/46/61/708214661.db2.gz VZAKATUHUMTCSE-ZDUSSCGKSA-N 0 3 304.390 1.164 20 10 DDCDHN CCC1(CC)CNC(=O)[C@H]1NCc1cc2c(cc1O)OCO2 ZINC000897345431 708299044 /nfs/dbraw/zinc/29/90/44/708299044.db2.gz LRPBIIIHVXQVOK-CQSZACIVSA-N 0 3 306.362 1.515 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)N(C)C)cc1 ZINC000891245598 710139799 /nfs/dbraw/zinc/13/97/99/710139799.db2.gz HIZPLOUQYQMCMN-VVLHAWIVSA-N 0 3 317.433 1.364 20 10 DDCDHN COCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891247557 710140701 /nfs/dbraw/zinc/14/07/01/710140701.db2.gz IDMZADLUOLLSNI-MRXNPFEDSA-N 0 3 319.449 1.898 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ncc[nH]2)N(C)C)cc1 ZINC000891248371 710141364 /nfs/dbraw/zinc/14/13/64/710141364.db2.gz LXHSIQXCJSGKLQ-AWEZNQCLSA-N 0 3 301.394 1.508 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccncn2)N(C)C)cc1 ZINC000891249380 710141824 /nfs/dbraw/zinc/14/18/24/710141824.db2.gz RYOTZZQIABPVHA-INIZCTEOSA-N 0 3 313.405 1.575 20 10 DDCDHN CC(C)OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255189 710143802 /nfs/dbraw/zinc/14/38/02/710143802.db2.gz NMFQKAZCVZNQDI-INIZCTEOSA-N 0 3 307.438 1.897 20 10 DDCDHN CO[C@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCS(=O)(=O)C1 ZINC000903363596 711104384 /nfs/dbraw/zinc/10/43/84/711104384.db2.gz PEUKLNGPEQHZNU-WFASDCNBSA-N 0 3 311.403 1.173 20 10 DDCDHN COc1ccc(CN[C@@H]2CCN(C3CCC3)C2=O)c(O)c1OC ZINC000895673297 711574523 /nfs/dbraw/zinc/57/45/23/711574523.db2.gz JXIIUPKYHSGJQJ-CYBMUJFWSA-N 0 3 320.389 1.652 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000914220019 713361402 /nfs/dbraw/zinc/36/14/02/713361402.db2.gz HDPBNSSCINVTJO-ZIAGYGMSSA-N 0 3 307.369 1.957 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000914220019 713361404 /nfs/dbraw/zinc/36/14/04/713361404.db2.gz HDPBNSSCINVTJO-ZIAGYGMSSA-N 0 3 307.369 1.957 20 10 DDCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1nncn1C ZINC001177718773 778712014 /nfs/dbraw/zinc/71/20/14/778712014.db2.gz KRQXJVYZWKWZSO-AWEZNQCLSA-N 0 3 314.437 1.418 20 10 DDCDHN COc1cc(Cl)cc(CNC[C@@H](C)S(C)(=O)=O)c1O ZINC000697621131 779669273 /nfs/dbraw/zinc/66/92/73/779669273.db2.gz RFRVNJJYOBPTHE-MRVPVSSYSA-N 0 3 307.799 1.577 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](C)S(C)(=O)=O)c1[O-] ZINC000697621131 779669281 /nfs/dbraw/zinc/66/92/81/779669281.db2.gz RFRVNJJYOBPTHE-MRVPVSSYSA-N 0 3 307.799 1.577 20 10 DDCDHN COc1cc(CN2CCC(=O)[C@@H](C)C2)cc(CN(C)C)c1O ZINC001139253003 860336934 /nfs/dbraw/zinc/33/69/34/860336934.db2.gz IGPRRHHHWLGOGS-LBPRGKRZSA-N 0 3 306.406 1.873 20 10 DDCDHN COc1cc(CN2CCC(=O)[C@@H](F)CC2)cc(CN(C)C)c1O ZINC001139255194 860338034 /nfs/dbraw/zinc/33/80/34/860338034.db2.gz NWANFPYMZLEUHI-AWEZNQCLSA-N 0 3 324.396 1.965 20 10 DDCDHN COC(=O)[C@@H]1COCCC12CN(Cc1ccc(C)cc1O)C2 ZINC001140957675 860746068 /nfs/dbraw/zinc/74/60/68/860746068.db2.gz IEJORZUMYNEFFD-AWEZNQCLSA-N 0 3 305.374 1.712 20 10 DDCDHN OC[C@@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)CC[C@@H]1O ZINC001141074705 860782523 /nfs/dbraw/zinc/78/25/23/860782523.db2.gz RNBMMALEOBOANG-ROUUACIJSA-N 0 3 316.445 1.561 20 10 DDCDHN CO[C@@H]1COC[C@@H]1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001330872340 864669917 /nfs/dbraw/zinc/66/99/17/864669917.db2.gz JOMVKRCRYFHWFM-DOTOQJQBSA-N 0 3 323.412 1.081 20 10 DDCDHN Cc1noc(C[C@@H]2C[C@H]3C[N@H+](Cc4ccccc4[O-])C[C@H]3O2)n1 ZINC001203552622 870635685 /nfs/dbraw/zinc/63/56/85/870635685.db2.gz PAJYFHNKJULTBN-OFQRWUPVSA-N 0 3 315.373 1.916 20 10 DDCDHN Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](Cc4ccccc4[O-])C[C@H]3O2)n1 ZINC001203552622 870635699 /nfs/dbraw/zinc/63/56/99/870635699.db2.gz PAJYFHNKJULTBN-OFQRWUPVSA-N 0 3 315.373 1.916 20 10 DDCDHN CCOc1cccc(CN2CCN(CCCOC)CC2)c1O ZINC001203609300 870670071 /nfs/dbraw/zinc/67/00/71/870670071.db2.gz PKQDVWCVLJGMAU-UHFFFAOYSA-N 0 3 308.422 1.945 20 10 DDCDHN COc1cc(Br)cc(CN2CC(N(C)C)C2)c1O ZINC001204336235 871062266 /nfs/dbraw/zinc/06/22/66/871062266.db2.gz IHGBDZHDQPIJAD-UHFFFAOYSA-N 0 3 315.211 1.909 20 10 DDCDHN CN(C)C(=O)[C@H]1CCSC12CN(Cc1ccc(O)cc1O)C2 ZINC001277193129 882930972 /nfs/dbraw/zinc/93/09/72/882930972.db2.gz YQDMCNKGJCSCCS-CYBMUJFWSA-N 0 3 322.430 1.494 20 10 DDCDHN C[C@H]1[NH2+]C[C@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001218385115 877471580 /nfs/dbraw/zinc/47/15/80/877471580.db2.gz RJPOFXIVSMFSPS-YMTOWFKASA-N 0 3 309.321 1.907 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C)c([O-])c1 ZINC001277420686 884163363 /nfs/dbraw/zinc/16/33/63/884163363.db2.gz FIHTYFVGLQNQGD-GJZGRUSLSA-N 0 3 304.390 1.386 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C)c([O-])c1 ZINC001277420686 884163371 /nfs/dbraw/zinc/16/33/71/884163371.db2.gz FIHTYFVGLQNQGD-GJZGRUSLSA-N 0 3 304.390 1.386 20 10 DDCDHN COCCN(C)C(=O)[C@H]1CC12CN(Cc1ccccc1O)C2 ZINC001277446085 884338596 /nfs/dbraw/zinc/33/85/96/884338596.db2.gz MCHRDBQKDJPERS-CQSZACIVSA-N 0 3 304.390 1.319 20 10 DDCDHN Cc1cccc(CN2CCN(CCN3CCOCC3)CC2)c1O ZINC001231592341 885756572 /nfs/dbraw/zinc/75/65/72/885756572.db2.gz KKLRICZLEXLLLZ-UHFFFAOYSA-N 0 3 319.449 1.150 20 10 DDCDHN O=C1NCCC2(CCN(Cc3cc(O)c(O)cc3O)CC2)O1 ZINC001233486232 887017504 /nfs/dbraw/zinc/01/75/04/887017504.db2.gz DTJWQFQDKKSNTB-UHFFFAOYSA-N 0 3 308.334 1.268 20 10 DDCDHN COC[C@]12COC[C@H]1C[N@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236809124 889369762 /nfs/dbraw/zinc/36/97/62/889369762.db2.gz DNHTXFGAOUKUJG-CXAGYDPISA-N 0 3 307.390 1.804 20 10 DDCDHN COC[C@]12COC[C@H]1C[N@@H+](Cc1c(C)cc(OC)cc1[O-])C2 ZINC001236809124 889369775 /nfs/dbraw/zinc/36/97/75/889369775.db2.gz DNHTXFGAOUKUJG-CXAGYDPISA-N 0 3 307.390 1.804 20 10 DDCDHN CCOc1ccc(CN2CCCO[C@@H](C(=O)OC)C2)c(O)c1 ZINC001237047442 889481433 /nfs/dbraw/zinc/48/14/33/889481433.db2.gz XTZHYJUDHHCZLE-OAHLLOKOSA-N 0 3 309.362 1.555 20 10 DDCDHN COC(=O)[C@H]1CCCN(Cc2cc(OC)cc(OC)c2O)C1 ZINC001237674591 889796276 /nfs/dbraw/zinc/79/62/76/889796276.db2.gz JPBIRQZBQMCSPO-NSHDSACASA-N 0 3 309.362 1.794 20 10 DDCDHN COc1cc(CN2CCN(CC(C)(C)O)CC2)c(O)c(OC)c1 ZINC001237678416 889799506 /nfs/dbraw/zinc/79/95/06/889799506.db2.gz YVCKTPJEIVALDB-UHFFFAOYSA-N 0 3 324.421 1.298 20 10 DDCDHN CN(CCNC(=O)Cc1ccc(O)c(O)c1)Cc1ccccc1 ZINC001292057106 913610034 /nfs/dbraw/zinc/61/00/34/913610034.db2.gz IGAOJKUIJTVLPM-UHFFFAOYSA-N 0 3 314.385 1.889 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H](CO)CC[C@H]2C)c([O-])c1 ZINC001249171777 893850410 /nfs/dbraw/zinc/85/04/10/893850410.db2.gz FOASKBMUDISAJX-TZMCWYRMSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H](CO)CC[C@H]2C)c([O-])c1 ZINC001249171777 893850422 /nfs/dbraw/zinc/85/04/22/893850422.db2.gz FOASKBMUDISAJX-TZMCWYRMSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c([O-])c1 ZINC001249207727 893866899 /nfs/dbraw/zinc/86/68/99/893866899.db2.gz HLDUOANBLWHBKT-GJZGRUSLSA-N 0 3 305.374 1.576 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c([O-])c1 ZINC001249207727 893866916 /nfs/dbraw/zinc/86/69/16/893866916.db2.gz HLDUOANBLWHBKT-GJZGRUSLSA-N 0 3 305.374 1.576 20 10 DDCDHN CC[C@@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccccc1[O-] ZINC000372336628 529682349 /nfs/dbraw/zinc/68/23/49/529682349.db2.gz IGQVLZCJLAELIC-CQSZACIVSA-N 0 3 316.409 1.625 20 10 DDCDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000129742731 407627522 /nfs/dbraw/zinc/62/75/22/407627522.db2.gz RFRPCFPGWSHSAG-LRDDRELGSA-N 0 3 323.412 1.652 20 10 DDCDHN COCCC[NH+]1CCC(NC(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000179474096 407793275 /nfs/dbraw/zinc/79/32/75/407793275.db2.gz HXSWTVRLPGJBMH-UHFFFAOYSA-N 0 3 322.405 1.637 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)c1 ZINC000185341399 408798078 /nfs/dbraw/zinc/79/80/78/408798078.db2.gz AZGAAYIYLNOKHJ-CYBMUJFWSA-N 0 3 321.421 1.216 20 10 DDCDHN CN1CCN(CCNC(=O)NCc2ccccc2O)CC1(C)C ZINC000282081032 408986433 /nfs/dbraw/zinc/98/64/33/408986433.db2.gz DAZFKUQRVRAKJP-UHFFFAOYSA-N 0 3 320.437 1.217 20 10 DDCDHN CCCC[N@H+](CCC(=O)NC(=O)NC)Cc1ccccc1[O-] ZINC000282503530 409056968 /nfs/dbraw/zinc/05/69/68/409056968.db2.gz RCDOBISUZYJFEN-UHFFFAOYSA-N 0 3 307.394 1.840 20 10 DDCDHN CCCC[N@@H+](CCC(=O)NC(=O)NC)Cc1ccccc1[O-] ZINC000282503530 409056969 /nfs/dbraw/zinc/05/69/69/409056969.db2.gz RCDOBISUZYJFEN-UHFFFAOYSA-N 0 3 307.394 1.840 20 10 DDCDHN CCCOc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c([O-])c1 ZINC000279529931 409232784 /nfs/dbraw/zinc/23/27/84/409232784.db2.gz ZGVKCUYHFQABGN-QGZVFWFLSA-N 0 3 304.390 1.893 20 10 DDCDHN CCCOc1ccc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c([O-])c1 ZINC000279529931 409232786 /nfs/dbraw/zinc/23/27/86/409232786.db2.gz ZGVKCUYHFQABGN-QGZVFWFLSA-N 0 3 304.390 1.893 20 10 DDCDHN COc1cccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290490704 409421802 /nfs/dbraw/zinc/42/18/02/409421802.db2.gz OOASPAGQTBSBEX-AWEZNQCLSA-N 0 3 304.390 1.845 20 10 DDCDHN COc1cccc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290490704 409421804 /nfs/dbraw/zinc/42/18/04/409421804.db2.gz OOASPAGQTBSBEX-AWEZNQCLSA-N 0 3 304.390 1.845 20 10 DDCDHN O=C1CO[C@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2N1 ZINC000373769269 418457975 /nfs/dbraw/zinc/45/79/75/418457975.db2.gz URFCUMZDLDSXSL-RDJZCZTQSA-N 0 3 312.369 1.635 20 10 DDCDHN O=C1CO[C@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2N1 ZINC000373769269 418457978 /nfs/dbraw/zinc/45/79/78/418457978.db2.gz URFCUMZDLDSXSL-RDJZCZTQSA-N 0 3 312.369 1.635 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000368008117 418673509 /nfs/dbraw/zinc/67/35/09/418673509.db2.gz HXPMVPBRHIYXSJ-LRDDRELGSA-N 0 3 303.362 1.469 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000368008117 418673510 /nfs/dbraw/zinc/67/35/10/418673510.db2.gz HXPMVPBRHIYXSJ-LRDDRELGSA-N 0 3 303.362 1.469 20 10 DDCDHN CCN1C(=O)[C@H]2CN(Cc3cc(C)ccc3O)CCN2C1=O ZINC000362007652 418738360 /nfs/dbraw/zinc/73/83/60/418738360.db2.gz BEJOXBMOWWBCAR-CYBMUJFWSA-N 0 3 303.362 1.169 20 10 DDCDHN Cc1cccc(CN2CC[C@H](S(=O)(=O)NC(C)C)C2)c1O ZINC000378440880 418722812 /nfs/dbraw/zinc/72/28/12/418722812.db2.gz FEYDULPGQLNFOF-AWEZNQCLSA-N 0 3 312.435 1.603 20 10 DDCDHN CCN1CCO[C@@H](CN2CCN(Cc3ccccc3O)CC2)C1 ZINC000378493656 418724373 /nfs/dbraw/zinc/72/43/73/418724373.db2.gz IWXIYONMCDPXRJ-QGZVFWFLSA-N 0 3 319.449 1.231 20 10 DDCDHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(OC)ccc1O ZINC000372280635 418851158 /nfs/dbraw/zinc/85/11/58/418851158.db2.gz FMOLOLLQUKKFKH-UKRRQHHQSA-N 0 3 323.389 1.943 20 10 DDCDHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(OC)ccc1[O-] ZINC000372280635 418851160 /nfs/dbraw/zinc/85/11/60/418851160.db2.gz FMOLOLLQUKKFKH-UKRRQHHQSA-N 0 3 323.389 1.943 20 10 DDCDHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(OC)ccc1[O-] ZINC000372280635 418851161 /nfs/dbraw/zinc/85/11/61/418851161.db2.gz FMOLOLLQUKKFKH-UKRRQHHQSA-N 0 3 323.389 1.943 20 10 DDCDHN O=C(c1cn[n-]c1[C@H]1CC[NH2+]C1)N1CCc2cc(F)c(F)cc21 ZINC000662386552 424600252 /nfs/dbraw/zinc/60/02/52/424600252.db2.gz CMZOSEDIEOMINK-JTQLQIEISA-N 0 3 318.327 1.968 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CC[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000278531594 484296062 /nfs/dbraw/zinc/29/60/62/484296062.db2.gz VCHVJWYCCXOSFO-SMDDNHRTSA-N 0 3 321.377 1.835 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CC[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000278531594 484296064 /nfs/dbraw/zinc/29/60/64/484296064.db2.gz VCHVJWYCCXOSFO-SMDDNHRTSA-N 0 3 321.377 1.835 20 10 DDCDHN COc1c([O-])c(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000278531594 484296071 /nfs/dbraw/zinc/29/60/71/484296071.db2.gz VCHVJWYCCXOSFO-SMDDNHRTSA-N 0 3 321.377 1.835 20 10 DDCDHN COc1c([O-])c(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000278531594 484296075 /nfs/dbraw/zinc/29/60/75/484296075.db2.gz VCHVJWYCCXOSFO-SMDDNHRTSA-N 0 3 321.377 1.835 20 10 DDCDHN CCOc1cccc(CN2CC[C@H](N3CCOCC3)C2)c1O ZINC000156015487 521343294 /nfs/dbraw/zinc/34/32/94/521343294.db2.gz PXXODDPQYPSQFW-HNNXBMFYSA-N 0 3 306.406 1.697 20 10 DDCDHN CCOc1cccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1[O-] ZINC000156015487 521343304 /nfs/dbraw/zinc/34/33/04/521343304.db2.gz PXXODDPQYPSQFW-HNNXBMFYSA-N 0 3 306.406 1.697 20 10 DDCDHN CCOc1cccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1[O-] ZINC000156015487 521343312 /nfs/dbraw/zinc/34/33/12/521343312.db2.gz PXXODDPQYPSQFW-HNNXBMFYSA-N 0 3 306.406 1.697 20 10 DDCDHN CCN1CCN([C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)CC1 ZINC000180084645 521695448 /nfs/dbraw/zinc/69/54/48/521695448.db2.gz MGYRPDWZXINZAA-INIZCTEOSA-N 0 3 307.413 1.743 20 10 DDCDHN CCN1CCN([C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)CC1 ZINC000180084645 521695449 /nfs/dbraw/zinc/69/54/49/521695449.db2.gz MGYRPDWZXINZAA-INIZCTEOSA-N 0 3 307.413 1.743 20 10 DDCDHN C[C@H](CC(N)=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000267248384 524086502 /nfs/dbraw/zinc/08/65/02/524086502.db2.gz NTHSXQNMDNZXAL-AGIUHOORSA-N 0 3 323.412 1.793 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](C3OCCO3)C1)OCO2 ZINC000265761495 526334323 /nfs/dbraw/zinc/33/43/23/526334323.db2.gz ZBZUXRFPNCOMBY-LLVKDONJSA-N 0 3 307.346 1.706 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](C3OCCO3)C1)OCO2 ZINC000265761495 526334332 /nfs/dbraw/zinc/33/43/32/526334332.db2.gz ZBZUXRFPNCOMBY-LLVKDONJSA-N 0 3 307.346 1.706 20 10 DDCDHN COc1ccccc1CCNC(=O)C[NH2+]Cc1ccccc1[O-] ZINC000797883593 700029590 /nfs/dbraw/zinc/02/95/90/700029590.db2.gz WADBRPMVSCPLGJ-UHFFFAOYSA-N 0 3 314.385 1.849 20 10 DDCDHN CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(C)cc(C)c2O)C1 ZINC000092303920 696593771 /nfs/dbraw/zinc/59/37/71/696593771.db2.gz RDIYJOAWQCDJCA-CQSZACIVSA-N 0 3 312.435 1.523 20 10 DDCDHN COc1cc(C)cc(CN2CCN(CC(C)(C)O)[C@H](C)C2)c1O ZINC000188969771 697568209 /nfs/dbraw/zinc/56/82/09/697568209.db2.gz XCYQFPLQMCQORH-CQSZACIVSA-N 0 3 322.449 1.986 20 10 DDCDHN C[C@@H](N[C@@H](C)C(=O)N(C)C)c1ccc(N2CCOCC2)cc1 ZINC000189012477 697569403 /nfs/dbraw/zinc/56/94/03/697569403.db2.gz HLFZAIKSQVWSCU-KGLIPLIRSA-N 0 3 305.422 1.651 20 10 DDCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c([O-])c1 ZINC000787424361 699211749 /nfs/dbraw/zinc/21/17/49/699211749.db2.gz RKFFDAGWNBYIPK-HZUKXOBISA-N 0 3 304.390 1.877 20 10 DDCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c([O-])c1 ZINC000787424361 699211750 /nfs/dbraw/zinc/21/17/50/699211750.db2.gz RKFFDAGWNBYIPK-HZUKXOBISA-N 0 3 304.390 1.877 20 10 DDCDHN CCOc1ccc(C[NH2+]CCCN(C)S(C)(=O)=O)c([O-])c1 ZINC000725847953 699336153 /nfs/dbraw/zinc/33/61/53/699336153.db2.gz XOWRZCBGUWGKCU-UHFFFAOYSA-N 0 3 316.423 1.162 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC([C@H](O)C(=O)OC)CC2)c([O-])c1 ZINC000770332055 701274536 /nfs/dbraw/zinc/27/45/36/701274536.db2.gz QUWKCQOROQIWPU-INIZCTEOSA-N 0 3 323.389 1.537 20 10 DDCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000808426612 701517584 /nfs/dbraw/zinc/51/75/84/701517584.db2.gz FZUOOVCSQKDYMJ-LBPRGKRZSA-N 0 3 313.419 1.705 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1[O-] ZINC000840962172 702294772 /nfs/dbraw/zinc/29/47/72/702294772.db2.gz GKHUVECSCPMWLN-GWCFXTLKSA-N 0 3 315.797 1.931 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@@H]2C(F)F)c1[O-] ZINC000843385732 702871146 /nfs/dbraw/zinc/87/11/46/702871146.db2.gz QDLNQZWMMYBHQS-GFCCVEGCSA-N 0 3 302.296 1.773 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CCCc2ncn(C)n2)c1[O-] ZINC000843420121 702877494 /nfs/dbraw/zinc/87/74/94/702877494.db2.gz MFACSLLITLRQNG-UHFFFAOYSA-N 0 3 310.785 1.905 20 10 DDCDHN CC[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)N(C)C ZINC000856212471 704518573 /nfs/dbraw/zinc/51/85/73/704518573.db2.gz NBSPRCCGTZBBMI-QGZVFWFLSA-N 0 3 319.449 1.604 20 10 DDCDHN CCOc1ccc(O)c(CN2CC[C@@](OC)(C(=O)OC)C2)c1 ZINC000862474250 705720939 /nfs/dbraw/zinc/72/09/39/705720939.db2.gz OYKPQKMNTHTAIY-INIZCTEOSA-N 0 3 309.362 1.555 20 10 DDCDHN CCN(CC)c1ccc(CN(C)C(=O)CNCCOC)cc1 ZINC000826020093 705759258 /nfs/dbraw/zinc/75/92/58/705759258.db2.gz PYUUOGNELYBQIS-UHFFFAOYSA-N 0 3 307.438 1.727 20 10 DDCDHN CC(C)CN(CC(N)=O)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876598317 705776335 /nfs/dbraw/zinc/77/63/35/705776335.db2.gz MWCMLKDXCSXBRN-UHFFFAOYSA-N 0 3 319.449 1.591 20 10 DDCDHN COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877481950 706119004 /nfs/dbraw/zinc/11/90/04/706119004.db2.gz YHJUQUWMESCYMJ-HUUCEWRRSA-N 0 3 309.406 1.546 20 10 DDCDHN COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877481950 706119005 /nfs/dbraw/zinc/11/90/05/706119005.db2.gz YHJUQUWMESCYMJ-HUUCEWRRSA-N 0 3 309.406 1.546 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C2CN(c3ccncn3)C2)c1[O-] ZINC000877702475 706182217 /nfs/dbraw/zinc/18/22/17/706182217.db2.gz UHCLKSQVAYSKPC-UHFFFAOYSA-N 0 3 320.780 1.823 20 10 DDCDHN COc1cc(Cl)cc(CNC2CN(c3ccncn3)C2)c1O ZINC000877702475 706182218 /nfs/dbraw/zinc/18/22/18/706182218.db2.gz UHCLKSQVAYSKPC-UHFFFAOYSA-N 0 3 320.780 1.823 20 10 DDCDHN COC(=O)C1=NO[C@@]2(CCN(Cc3ccc(C)cc3O)C2)C1 ZINC000877712631 706185460 /nfs/dbraw/zinc/18/54/60/706185460.db2.gz QKAXXJIIEDHSLS-INIZCTEOSA-N 0 3 304.346 1.594 20 10 DDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O)c1[O-] ZINC000927028976 712933325 /nfs/dbraw/zinc/93/33/25/712933325.db2.gz YKEQHJPUAMSDDF-KOLCDFICSA-N 0 3 321.826 1.410 20 10 DDCDHN CN(C)c1ccc(/C=C/CNC[C@H]2CCCS2(=O)=O)cc1 ZINC000835041881 707161700 /nfs/dbraw/zinc/16/17/00/707161700.db2.gz OUBLPCAJWXBJID-LLCTXKFZSA-N 0 3 308.447 1.933 20 10 DDCDHN CN(C)C[C@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000927217111 712958142 /nfs/dbraw/zinc/95/81/42/712958142.db2.gz QPZFFPHKFDPHKR-SECBINFHSA-N 0 3 317.176 1.562 20 10 DDCDHN COc1cc(C)cc(CN2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000897617917 708394990 /nfs/dbraw/zinc/39/49/90/708394990.db2.gz IBMIWWKGVCARMP-BETUJISGSA-N 0 3 311.403 1.186 20 10 DDCDHN CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000898347963 708615960 /nfs/dbraw/zinc/61/59/60/708615960.db2.gz BLXBOKRTCJYPHI-ZIAGYGMSSA-N 0 3 308.378 1.239 20 10 DDCDHN COc1cc(C)cc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1O ZINC000894003372 710920177 /nfs/dbraw/zinc/92/01/77/710920177.db2.gz WDBDAFRITLSJHK-JKSUJKDBSA-N 0 3 320.433 1.740 20 10 DDCDHN CNC(=O)[C@H](CCSC)NCc1ccc2c(c1)CCCO2 ZINC000922130422 713969912 /nfs/dbraw/zinc/96/99/12/713969912.db2.gz AFHYPLCNIKYMKP-AWEZNQCLSA-N 0 3 308.447 1.969 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCOCC3)c([O-])c1 ZINC000923022120 714216519 /nfs/dbraw/zinc/21/65/19/714216519.db2.gz WUAWDLQEJCYFLF-CVEARBPZSA-N 0 3 307.390 1.811 20 10 DDCDHN CC[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccccc1[O-] ZINC000925791109 714936405 /nfs/dbraw/zinc/93/64/05/714936405.db2.gz FFMVFAGUSPSJGA-TZMCWYRMSA-N 0 3 312.435 1.210 20 10 DDCDHN COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCCO1 ZINC001139673495 779581505 /nfs/dbraw/zinc/58/15/05/779581505.db2.gz IVDQCEFWRQSZSJ-INIZCTEOSA-N 0 3 306.406 1.825 20 10 DDCDHN CN1CCN(c2ccc(CN3C[C@H](O)C(C)(C)C3)cc2F)CC1 ZINC001116852393 780567798 /nfs/dbraw/zinc/56/77/98/780567798.db2.gz VSTFPVGPQFEBHC-KRWDZBQOSA-N 0 3 321.440 1.780 20 10 DDCDHN Cc1cc(CN2CC3(C2)CN(Cc2ccccc2O)C3)n(C)n1 ZINC001275266914 852940463 /nfs/dbraw/zinc/94/04/63/852940463.db2.gz FOHLKALKNGRDSH-UHFFFAOYSA-N 0 3 312.417 1.752 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)c1cnc(C2CC[NH2+]CC2)o1 ZINC001122257707 858727131 /nfs/dbraw/zinc/72/71/31/858727131.db2.gz ANKWZAOIWDZSII-UHFFFAOYSA-N 0 3 319.336 1.916 20 10 DDCDHN C[C@@]1(CO)CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1O ZINC001138495313 860119048 /nfs/dbraw/zinc/11/90/48/860119048.db2.gz HFQSOFXIUCTQQU-MSOLQXFVSA-N 0 3 320.433 1.088 20 10 DDCDHN COc1cc(CN2CCC(=O)[C@H](C)C2)cc(CN(C)C)c1O ZINC001139253002 860337557 /nfs/dbraw/zinc/33/75/57/860337557.db2.gz IGPRRHHHWLGOGS-GFCCVEGCSA-N 0 3 306.406 1.873 20 10 DDCDHN CCN(CC)c1ccc(CN2CCN(CCCO)CC2)c(O)c1 ZINC001140850042 860712538 /nfs/dbraw/zinc/71/25/38/860712538.db2.gz BGSGTAAPEUPZSH-UHFFFAOYSA-N 0 3 321.465 1.738 20 10 DDCDHN Nc1ccc(CN2CCCN(CC(=O)N3CCCC3)CC2)cc1 ZINC001336118667 868742484 /nfs/dbraw/zinc/74/24/84/868742484.db2.gz ZZHMMEGGUIUBBC-UHFFFAOYSA-N 0 3 316.449 1.399 20 10 DDCDHN COCCN1CC[C@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001203553000 870637069 /nfs/dbraw/zinc/63/70/69/870637069.db2.gz XUYYTIPCEHUVJM-SFHVURJKSA-N 0 3 318.417 1.853 20 10 DDCDHN COCCN1CC[C@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001203553000 870637074 /nfs/dbraw/zinc/63/70/74/870637074.db2.gz XUYYTIPCEHUVJM-SFHVURJKSA-N 0 3 318.417 1.853 20 10 DDCDHN C[C@@]1(CO)CN(Cc2ccc(N3CCCC3)cc2)CC[C@@H]1O ZINC001204323078 871052832 /nfs/dbraw/zinc/05/28/32/871052832.db2.gz DDSPFZUCAVZYFR-ROUUACIJSA-N 0 3 304.434 1.852 20 10 DDCDHN C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc(C(F)(F)F)cc1[O-] ZINC001276504957 872962708 /nfs/dbraw/zinc/96/27/08/872962708.db2.gz AQJOVESUHCIDMW-BETUJISGSA-N 0 3 316.323 1.926 20 10 DDCDHN C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc(C(F)(F)F)cc1[O-] ZINC001276504957 872962716 /nfs/dbraw/zinc/96/27/16/872962716.db2.gz AQJOVESUHCIDMW-BETUJISGSA-N 0 3 316.323 1.926 20 10 DDCDHN C[C@@H]1NC[C@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001218387537 877470901 /nfs/dbraw/zinc/47/09/01/877470901.db2.gz QDLPVAYOOMSQRG-LKFCYVNXSA-N 0 3 309.321 1.907 20 10 DDCDHN CCN(CC)c1ccc(CN2CCNC[C@H]2C(=O)OC)cc1 ZINC001222414920 880450694 /nfs/dbraw/zinc/45/06/94/880450694.db2.gz QBZSJDTWBYTFGU-INIZCTEOSA-N 0 3 305.422 1.480 20 10 DDCDHN [O-]c1cc(F)c(F)cc1CN1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222681278 880646860 /nfs/dbraw/zinc/64/68/60/880646860.db2.gz PRQGGMJZBAORPQ-MRXNPFEDSA-N 0 3 311.376 1.588 20 10 DDCDHN COc1ccc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(N)=O)C2)c([O-])c1 ZINC001277453544 884429309 /nfs/dbraw/zinc/42/93/09/884429309.db2.gz AMHWGJFLYMSLQE-YOEHRIQHSA-N 0 3 304.390 1.878 20 10 DDCDHN COc1ccc(C[N@H+]2CC[C@@]3(CCC[C@H]3C(N)=O)C2)c([O-])c1 ZINC001277453544 884429319 /nfs/dbraw/zinc/42/93/19/884429319.db2.gz AMHWGJFLYMSLQE-YOEHRIQHSA-N 0 3 304.390 1.878 20 10 DDCDHN NC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233728420 887254665 /nfs/dbraw/zinc/25/46/65/887254665.db2.gz WVCXJLNTGQMZPA-JTQLQIEISA-N 0 3 318.295 1.988 20 10 DDCDHN NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233728420 887254681 /nfs/dbraw/zinc/25/46/81/887254681.db2.gz WVCXJLNTGQMZPA-JTQLQIEISA-N 0 3 318.295 1.988 20 10 DDCDHN COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001236199391 889136812 /nfs/dbraw/zinc/13/68/12/889136812.db2.gz FDCUDMXYRLARAP-ONGXEEELSA-N 0 3 314.769 1.129 20 10 DDCDHN CN1CCN(Cc2ccc(N3CCN(C)CC3)cc2F)CC1 ZINC001236931425 889427538 /nfs/dbraw/zinc/42/75/38/889427538.db2.gz KLAIEKUDULQZFU-UHFFFAOYSA-N 0 3 306.429 1.325 20 10 DDCDHN Cc1ccc(C)c(CN2CC[C@H](C(N)=O)n3nccc3C2)c1O ZINC001278354084 891539976 /nfs/dbraw/zinc/53/99/76/891539976.db2.gz DJAMKIWPIGSONJ-OAHLLOKOSA-N 0 3 314.389 1.638 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001249179032 893856755 /nfs/dbraw/zinc/85/67/55/893856755.db2.gz ZDGKTLCFWVKPFG-SJCJKPOMSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001249179032 893856774 /nfs/dbraw/zinc/85/67/74/893856774.db2.gz ZDGKTLCFWVKPFG-SJCJKPOMSA-N 0 3 307.390 1.701 20 10 DDCDHN Cc1cc([O-])c(C[N@H+](C)C[C@H](O)CN2CCOCC2)cc1C ZINC000093583375 193269278 /nfs/dbraw/zinc/26/92/78/193269278.db2.gz XLYJYUDSEWGHGP-INIZCTEOSA-N 0 3 308.422 1.134 20 10 DDCDHN Cc1cc([O-])c(C[N@@H+](C)C[C@H](O)CN2CCOCC2)cc1C ZINC000093583375 193269279 /nfs/dbraw/zinc/26/92/79/193269279.db2.gz XLYJYUDSEWGHGP-INIZCTEOSA-N 0 3 308.422 1.134 20 10 DDCDHN O=C1C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@H]2CCCCN12 ZINC000369212354 223617794 /nfs/dbraw/zinc/61/77/94/223617794.db2.gz DEKWZZBUZUDGNR-NWDGAFQWSA-N 0 3 304.346 1.364 20 10 DDCDHN COc1cccc(CNC(=O)N[C@H](C)C2=CCN(C)CC2)c1O ZINC000273028431 130083861 /nfs/dbraw/zinc/08/38/61/130083861.db2.gz UQFVTZUJHFUZKU-GFCCVEGCSA-N 0 3 319.405 1.850 20 10 DDCDHN C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(F)ccc1[O-] ZINC000273616666 130145611 /nfs/dbraw/zinc/14/56/11/130145611.db2.gz XOGOBQVTDUNVKP-LBPRGKRZSA-N 0 3 323.412 1.735 20 10 DDCDHN C[C@@H](CN(C)C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287489899 131283352 /nfs/dbraw/zinc/28/33/52/131283352.db2.gz PIHARCYBBVNFBS-AWEZNQCLSA-N 0 3 302.422 1.812 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CN2CCOCC2)c1[O-] ZINC000228671250 407651060 /nfs/dbraw/zinc/65/10/60/407651060.db2.gz YDKVAKRRLWJFIE-NSHDSACASA-N 0 3 314.813 1.865 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1COC3(CCCC3)O1)OCO2 ZINC000271380721 407661150 /nfs/dbraw/zinc/66/11/50/407661150.db2.gz DHILUBHSWLZJHN-GFCCVEGCSA-N 0 3 307.346 1.896 20 10 DDCDHN Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c([O-])c1O ZINC000182840429 408264370 /nfs/dbraw/zinc/26/43/70/408264370.db2.gz UDQDYWLDJRGDPO-GXTWGEPZSA-N 0 3 304.390 1.963 20 10 DDCDHN Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c([O-])c1O ZINC000182840429 408264375 /nfs/dbraw/zinc/26/43/75/408264375.db2.gz UDQDYWLDJRGDPO-GXTWGEPZSA-N 0 3 304.390 1.963 20 10 DDCDHN Cc1ccc(O)c(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000279417141 409210928 /nfs/dbraw/zinc/21/09/28/409210928.db2.gz MVLJQAVEYJFOIX-OAHLLOKOSA-N 0 3 324.446 1.701 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2CCOC2(C)C)cc1 ZINC000295242780 409393127 /nfs/dbraw/zinc/39/31/27/409393127.db2.gz PMPXUWCXKBLJLR-OAHLLOKOSA-N 0 3 305.422 1.526 20 10 DDCDHN C[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1CO ZINC000298649029 410330368 /nfs/dbraw/zinc/33/03/68/410330368.db2.gz XHLIHQXJDCDBTR-CZUORRHYSA-N 0 3 305.422 1.072 20 10 DDCDHN Cc1ccc(O)c(CN2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000367432122 418599017 /nfs/dbraw/zinc/59/90/17/418599017.db2.gz PESHCYGXYQHOMG-KRWDZBQOSA-N 0 3 318.417 1.914 20 10 DDCDHN CCCOc1ccc(CN2CC[C@H]3OCC(=O)N[C@@H]3C2)c(O)c1 ZINC000370717256 418747544 /nfs/dbraw/zinc/74/75/44/418747544.db2.gz SHIJSQXMOVKBGM-GDBMZVCRSA-N 0 3 320.389 1.270 20 10 DDCDHN CCOc1ccc(O)c(CN2CCCN(CC(=O)NC)CC2)c1 ZINC000362088054 418748726 /nfs/dbraw/zinc/74/87/26/418748726.db2.gz UBPMPUSHQXEKBS-UHFFFAOYSA-N 0 3 321.421 1.045 20 10 DDCDHN CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2ccccc2[O-])C1=O ZINC000371084848 418760945 /nfs/dbraw/zinc/76/09/45/418760945.db2.gz HRTGORCFJSXNFZ-WBMJQRKESA-N 0 3 303.362 1.202 20 10 DDCDHN COCCNCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000418092474 419528196 /nfs/dbraw/zinc/52/81/96/419528196.db2.gz AIWKNQQANRGKQS-UHFFFAOYSA-N 0 3 318.421 1.522 20 10 DDCDHN CCN(CCC[NH2+][C@@H]1CCc2cccc([O-])c21)S(C)(=O)=O ZINC000296048455 276123520 /nfs/dbraw/zinc/12/35/20/276123520.db2.gz QZOQGKMFYNLLCC-CYBMUJFWSA-N 0 3 312.435 1.641 20 10 DDCDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)CN1CCN(C)CC1 ZINC000297540324 278285640 /nfs/dbraw/zinc/28/56/40/278285640.db2.gz FANFBFHZJCCQBE-GOEBONIOSA-N 0 3 303.450 1.853 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000366486421 295167756 /nfs/dbraw/zinc/16/77/56/295167756.db2.gz XNLKQSBLZPCHKX-XHVZSJERSA-N 0 3 304.346 1.056 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000366486421 295167758 /nfs/dbraw/zinc/16/77/58/295167758.db2.gz XNLKQSBLZPCHKX-XHVZSJERSA-N 0 3 304.346 1.056 20 10 DDCDHN COC[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000265754094 522845493 /nfs/dbraw/zinc/84/54/93/522845493.db2.gz FXDNRTGJGFDHJG-INIZCTEOSA-N 0 3 319.449 1.679 20 10 DDCDHN C[C@H](CC(N)=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000267248393 524086575 /nfs/dbraw/zinc/08/65/75/524086575.db2.gz NTHSXQNMDNZXAL-UPJWGTAASA-N 0 3 323.412 1.793 20 10 DDCDHN C[C@@H](N)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237473596 524990721 /nfs/dbraw/zinc/99/07/21/524990721.db2.gz CTHDIXHFYYBRRQ-GHMZBOCLSA-N 0 3 313.348 1.720 20 10 DDCDHN COc1cc([O-])c(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1OC ZINC000280979007 536856106 /nfs/dbraw/zinc/85/61/06/536856106.db2.gz WAKLYUZZYUYSIC-YPMHNXCESA-N 0 3 311.378 1.144 20 10 DDCDHN COCC(C)(C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000171202828 697355409 /nfs/dbraw/zinc/35/54/09/697355409.db2.gz JFAWDKQEBLZHCK-UHFFFAOYSA-N 0 3 307.438 1.726 20 10 DDCDHN COCCCNC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774479588 697884148 /nfs/dbraw/zinc/88/41/48/697884148.db2.gz PUFRMHHIKDENOI-KGLIPLIRSA-N 0 3 307.438 1.944 20 10 DDCDHN CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774479771 697884767 /nfs/dbraw/zinc/88/47/67/697884767.db2.gz UBNTUQARTYAWEV-RYUDHWBXSA-N 0 3 306.410 1.637 20 10 DDCDHN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000779505586 698428493 /nfs/dbraw/zinc/42/84/93/698428493.db2.gz IVIFSLNHPCCFPM-GNXSNYGWSA-N 0 3 318.373 1.090 20 10 DDCDHN COC(=O)N1CC(C)(NCc2ccc(N3CCOCC3)cc2)C1 ZINC000787765845 699239663 /nfs/dbraw/zinc/23/96/63/699239663.db2.gz GFVJLWCHWKOHSK-UHFFFAOYSA-N 0 3 319.405 1.454 20 10 DDCDHN O=C(NCc1ccccc1O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729606391 699483179 /nfs/dbraw/zinc/48/31/79/699483179.db2.gz RDJHMEGICBYPIC-KBPBESRZSA-N 0 3 305.378 1.055 20 10 DDCDHN CCNC(=O)NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847048 699537823 /nfs/dbraw/zinc/53/78/23/699537823.db2.gz BIPXWWWXMPDZQD-UHFFFAOYSA-N 0 3 319.405 1.983 20 10 DDCDHN CCNC(=O)NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847048 699537824 /nfs/dbraw/zinc/53/78/24/699537824.db2.gz BIPXWWWXMPDZQD-UHFFFAOYSA-N 0 3 319.405 1.983 20 10 DDCDHN COc1ccc(CNC(=S)NC2CCN(C)CC2)c(O)c1 ZINC000795030474 699842635 /nfs/dbraw/zinc/84/26/35/699842635.db2.gz BEEWVFNAQLFWAE-UHFFFAOYSA-N 0 3 309.435 1.459 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C(=O)N1c1cnn(C)c1 ZINC000742390664 699876645 /nfs/dbraw/zinc/87/66/45/699876645.db2.gz LALWKDNWVCRKAT-BXUZGUMPSA-N 0 3 300.362 1.409 20 10 DDCDHN C[C@@H](NCC(=O)NC[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000839563867 701737610 /nfs/dbraw/zinc/73/76/10/701737610.db2.gz PLKZCSOBQPBTSD-CJNGLKHVSA-N 0 3 305.422 1.698 20 10 DDCDHN CC[C@H]1[C@H](CO)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839610570 701753810 /nfs/dbraw/zinc/75/38/10/701753810.db2.gz OGCUYROHWGGXMK-RDJZCZTQSA-N 0 3 319.449 1.462 20 10 DDCDHN COc1ccc(N(C)CCN(C)CCN2CCCC2=O)cc1 ZINC000844399897 703026115 /nfs/dbraw/zinc/02/61/15/703026115.db2.gz RTHROISBDKPBQO-UHFFFAOYSA-N 0 3 305.422 1.686 20 10 DDCDHN CC[C@H](C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)N(C)C ZINC000819584921 704145595 /nfs/dbraw/zinc/14/55/95/704145595.db2.gz UKPOHJVVGHZGHJ-WMLDXEAASA-N 0 3 319.449 1.978 20 10 DDCDHN Oc1cc2c(cc1CN1CC[C@@H]([C@H](O)C(F)(F)F)C1)OCO2 ZINC000825123817 705604674 /nfs/dbraw/zinc/60/46/74/705604674.db2.gz CQHKJJDZKGNQDG-OQPBUACISA-N 0 3 319.279 1.866 20 10 DDCDHN CCO[C@@H]1COC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877575073 706147067 /nfs/dbraw/zinc/14/70/67/706147067.db2.gz FXKSDBSSXIGISX-QZTJIDSGSA-N 0 3 320.433 1.541 20 10 DDCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCO[C@@H]2C(=O)OC)c([O-])c1 ZINC000877726764 706191299 /nfs/dbraw/zinc/19/12/99/706191299.db2.gz FUCKALYMLYZWSL-WFASDCNBSA-N 0 3 309.362 1.459 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000897027267 708211549 /nfs/dbraw/zinc/21/15/49/708211549.db2.gz QBZQNZPMJLANGK-ZDUSSCGKSA-N 0 3 306.362 1.721 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)CC2(O)CCC2)N(C)C)cc1 ZINC000891247090 710140686 /nfs/dbraw/zinc/14/06/86/710140686.db2.gz HFZIVWJFGMQFAF-MRXNPFEDSA-N 0 3 319.449 1.777 20 10 DDCDHN Cc1nc[nH]c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247754 710140699 /nfs/dbraw/zinc/14/06/99/710140699.db2.gz VBGVSJHGAOQYBW-OAHLLOKOSA-N 0 3 315.421 1.817 20 10 DDCDHN Cc1nonc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253386 710143353 /nfs/dbraw/zinc/14/33/53/710143353.db2.gz SAWHGFQKBSNWOX-AWEZNQCLSA-N 0 3 317.393 1.477 20 10 DDCDHN COc1ccc(CNCC(=O)NC2CCCCC2)c(O)c1OC ZINC000892883504 710518879 /nfs/dbraw/zinc/51/88/79/710518879.db2.gz NSGWOLAGFBZQAV-UHFFFAOYSA-N 0 3 322.405 1.948 20 10 DDCDHN C[C@@H](NCC=Cc1ccc(N(C)C)cc1)c1n[nH]c(=O)n1C ZINC000895172819 711441474 /nfs/dbraw/zinc/44/14/74/711441474.db2.gz SGJXZXBDSOJNCG-FOQNGQEVSA-N 0 3 301.394 1.951 20 10 DDCDHN COc1ccc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c([O-])c1OC ZINC000895537708 711536877 /nfs/dbraw/zinc/53/68/77/711536877.db2.gz UALXYINBESIMPM-GFCCVEGCSA-N 0 3 308.378 1.462 20 10 DDCDHN COc1ccc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c([O-])c1OC ZINC000895537708 711536879 /nfs/dbraw/zinc/53/68/79/711536879.db2.gz UALXYINBESIMPM-GFCCVEGCSA-N 0 3 308.378 1.462 20 10 DDCDHN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924715305 714647823 /nfs/dbraw/zinc/64/78/23/714647823.db2.gz FOYOYZLVJHZFMN-RISCZKNCSA-N 0 3 304.394 1.296 20 10 DDCDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3cnnn3C)C2)cc1 ZINC000926680467 715112365 /nfs/dbraw/zinc/11/23/65/715112365.db2.gz ORRXQTHXFYOQMH-STQMWFEESA-N 0 3 301.394 1.753 20 10 DDCDHN O=C(c1cc(O)c([O-])c(O)c1)N1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001270068445 842267161 /nfs/dbraw/zinc/26/71/61/842267161.db2.gz AVBJXYVXOLWXSP-UHFFFAOYSA-N 0 3 318.373 1.504 20 10 DDCDHN COCCOCN1C[C@@H]2CC[N@H+](Cc3ccc(C)cc3[O-])[C@@H]2C1 ZINC001276169586 854873889 /nfs/dbraw/zinc/87/38/89/854873889.db2.gz SQGTVXBMVZHASX-DOTOQJQBSA-N 0 3 320.433 1.827 20 10 DDCDHN COCCOCN1C[C@@H]2CC[N@@H+](Cc3ccc(C)cc3[O-])[C@@H]2C1 ZINC001276169586 854873892 /nfs/dbraw/zinc/87/38/92/854873892.db2.gz SQGTVXBMVZHASX-DOTOQJQBSA-N 0 3 320.433 1.827 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccc(C)cc3[O-])CC[C@@H]21 ZINC001140952076 860745759 /nfs/dbraw/zinc/74/57/59/860745759.db2.gz DDVNJNMFYFNVNB-WMZOPIPTSA-N 0 3 318.417 1.912 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccc(C)cc3[O-])CC[C@@H]21 ZINC001140952076 860745765 /nfs/dbraw/zinc/74/57/65/860745765.db2.gz DDVNJNMFYFNVNB-WMZOPIPTSA-N 0 3 318.417 1.912 20 10 DDCDHN CC(=O)NC1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141139539 860793262 /nfs/dbraw/zinc/79/32/62/860793262.db2.gz WTXXJFMXHPJBQH-UHFFFAOYSA-N 0 3 303.406 1.616 20 10 DDCDHN CN1CCOc2cc(CN3CCC(n4cnnc4)CC3)ccc21 ZINC001141143810 860793795 /nfs/dbraw/zinc/79/37/95/860793795.db2.gz LDXOTAJNBCSYQY-UHFFFAOYSA-N 0 3 313.405 1.944 20 10 DDCDHN Cc1cncnc1O[C@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141162901 860798922 /nfs/dbraw/zinc/79/89/22/860798922.db2.gz KCNWUDPKLMCQEZ-AWEZNQCLSA-N 0 3 301.346 1.850 20 10 DDCDHN CCOC(=O)[C@H]1CNCCN1Cc1cc(OCC)ccc1O ZINC001349318140 875110103 /nfs/dbraw/zinc/11/01/03/875110103.db2.gz HBRRWGIZBGBMEW-CQSZACIVSA-N 0 3 308.378 1.128 20 10 DDCDHN CN1CCN(CCCCNC(=O)NCc2ccc(N)cc2)CC1 ZINC001357669311 880127102 /nfs/dbraw/zinc/12/71/02/880127102.db2.gz YTFZJTRIUVYLKG-UHFFFAOYSA-N 0 3 319.453 1.096 20 10 DDCDHN O=C(N1CCCCO1)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2 ZINC001277445219 884316084 /nfs/dbraw/zinc/31/60/84/884316084.db2.gz CHMJDASHYOYVQE-UHFFFAOYSA-N 0 3 302.374 1.959 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CCC2(CNC(=O)N2)CC1 ZINC001231854397 885908911 /nfs/dbraw/zinc/90/89/11/885908911.db2.gz CXUNQAISFYMLKI-UHFFFAOYSA-N 0 3 318.421 1.409 20 10 DDCDHN CCN1CC[C@]2(CCCN(Cc3cc(O)c(O)c(O)c3)C2)C1=O ZINC001233013843 886724743 /nfs/dbraw/zinc/72/47/43/886724743.db2.gz UKIJAHCAUHUPOJ-KRWDZBQOSA-N 0 3 320.389 1.638 20 10 DDCDHN COc1cc(CN2CCC3(CC(=O)CO3)CC2)c(O)c(OC)c1 ZINC001237669769 889792677 /nfs/dbraw/zinc/79/26/77/889792677.db2.gz NFLLAGGOFVLZNV-UHFFFAOYSA-N 0 3 321.373 1.733 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3OCCC[C@@H]3C1)[C@@H](O)CO2 ZINC001253981516 896199992 /nfs/dbraw/zinc/19/99/92/896199992.db2.gz QFANYUJGZDATKZ-RLCCDNCMSA-N 0 3 305.374 1.819 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3OCCC[C@@H]3C1)[C@@H](O)CO2 ZINC001253981516 896199999 /nfs/dbraw/zinc/19/99/99/896199999.db2.gz QFANYUJGZDATKZ-RLCCDNCMSA-N 0 3 305.374 1.819 20 10 DDCDHN CCC[C@@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000236894337 202058914 /nfs/dbraw/zinc/05/89/14/202058914.db2.gz OKHXGBMAEVTMDB-MRXNPFEDSA-N 0 3 305.422 1.609 20 10 DDCDHN COCCN1CC[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000273760215 130163623 /nfs/dbraw/zinc/16/36/23/130163623.db2.gz OWPMVSQYWBYMIL-CYBMUJFWSA-N 0 3 314.813 1.865 20 10 DDCDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cc(=O)n(C)c(=O)n1C ZINC000068973707 406673600 /nfs/dbraw/zinc/67/36/00/406673600.db2.gz VEPUMDRGNRHRMP-UHFFFAOYSA-N 0 3 317.389 1.202 20 10 DDCDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cc(=O)n(C)c(=O)n1C ZINC000068973707 406673605 /nfs/dbraw/zinc/67/36/05/406673605.db2.gz VEPUMDRGNRHRMP-UHFFFAOYSA-N 0 3 317.389 1.202 20 10 DDCDHN O=S(=O)([C@@H]1CCN(Cc2ccccc2O)C1)N1CCCC1 ZINC000179586765 407810334 /nfs/dbraw/zinc/81/03/34/407810334.db2.gz HQKZNZCUUOTSDQ-CQSZACIVSA-N 0 3 310.419 1.392 20 10 DDCDHN CCC[C@@](C)(N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000272506564 407953675 /nfs/dbraw/zinc/95/36/75/407953675.db2.gz WPWUGIAFOHLPPR-QGZVFWFLSA-N 0 3 305.422 1.657 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCC(F)(F)F)c1 ZINC000182385447 408145144 /nfs/dbraw/zinc/14/51/44/408145144.db2.gz XFEOCWNRWNNZRO-MRVPVSSYSA-N 0 3 306.284 1.730 20 10 DDCDHN Cc1cc([O-])c(C[NH2+]CC2(OCCO)CCOCC2)cc1C ZINC000282650668 409059741 /nfs/dbraw/zinc/05/97/41/409059741.db2.gz LEKYOIZEEMQXAJ-UHFFFAOYSA-N 0 3 309.406 1.657 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H](CO)C(C)(C)C)cc1 ZINC000278883069 409106548 /nfs/dbraw/zinc/10/65/48/409106548.db2.gz TZBSYEWJDNVFFJ-INIZCTEOSA-N 0 3 321.465 1.708 20 10 DDCDHN COC(=O)CC[C@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000289772960 409286734 /nfs/dbraw/zinc/28/67/34/409286734.db2.gz IPYDCGULOJJHLO-AWEZNQCLSA-N 0 3 320.389 1.168 20 10 DDCDHN Cc1cccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1[O-] ZINC000289917038 409289289 /nfs/dbraw/zinc/28/92/89/409289289.db2.gz XLCOFLIZHWEQAI-UHFFFAOYSA-N 0 3 303.362 1.311 20 10 DDCDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000280360608 409299545 /nfs/dbraw/zinc/29/95/45/409299545.db2.gz VJAMKNDOWYFGHJ-RISCZKNCSA-N 0 3 304.390 1.772 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC000295100526 409319940 /nfs/dbraw/zinc/31/99/40/409319940.db2.gz KKCAZMBIWPXUMW-KGLIPLIRSA-N 0 3 308.422 1.898 20 10 DDCDHN CNC(=O)C[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000299163765 410553899 /nfs/dbraw/zinc/55/38/99/410553899.db2.gz MSWSBLWLQCWOJU-CQSZACIVSA-N 0 3 319.449 1.510 20 10 DDCDHN CNS(=O)(=O)[C@@H]1CCCN(Cc2cc(C)c(C)cc2O)C1 ZINC000360539480 418459604 /nfs/dbraw/zinc/45/96/04/418459604.db2.gz SUERWORNDDWLAR-CQSZACIVSA-N 0 3 312.435 1.523 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000290507180 418576909 /nfs/dbraw/zinc/57/69/09/418576909.db2.gz PJOIPXWHXKQGQS-ZDUSSCGKSA-N 0 3 304.390 1.845 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000290507180 418576912 /nfs/dbraw/zinc/57/69/12/418576912.db2.gz PJOIPXWHXKQGQS-ZDUSSCGKSA-N 0 3 304.390 1.845 20 10 DDCDHN C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccccc1[O-] ZINC000194453298 222178050 /nfs/dbraw/zinc/17/80/50/222178050.db2.gz PEQBAIPUFMFBSO-LBPRGKRZSA-N 0 3 320.414 1.933 20 10 DDCDHN COc1cc(O)c(CN2CCC3(CCOC3=O)CC2)cc1OC ZINC000361156516 418595383 /nfs/dbraw/zinc/59/53/83/418595383.db2.gz IDBKMNNXRNMRQR-UHFFFAOYSA-N 0 3 321.373 1.939 20 10 DDCDHN COc1ccc(O)c(CN2CCC3(CC2)SCC(=O)N3C)c1 ZINC000368226358 418706454 /nfs/dbraw/zinc/70/64/54/418706454.db2.gz ZAUAAPGTLFAOCE-UHFFFAOYSA-N 0 3 322.430 1.898 20 10 DDCDHN COc1ccc([O-])c(C[NH+]2CCC3(CC2)SCC(=O)N3C)c1 ZINC000368226358 418706456 /nfs/dbraw/zinc/70/64/56/418706456.db2.gz ZAUAAPGTLFAOCE-UHFFFAOYSA-N 0 3 322.430 1.898 20 10 DDCDHN COc1ccc(O)c(CN[C@@H]2CCN(c3ccn(C)n3)C2=O)c1 ZINC000362033553 418742804 /nfs/dbraw/zinc/74/28/04/418742804.db2.gz URMMLBFLCRHAKX-CYBMUJFWSA-N 0 3 316.361 1.029 20 10 DDCDHN CCOC(=O)[C@@](C)(O)CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000364289235 418775508 /nfs/dbraw/zinc/77/55/08/418775508.db2.gz KBBPNOPXFQZXFA-SFHVURJKSA-N 0 3 318.417 1.766 20 10 DDCDHN Oc1cc2c(cc1CN1CCN([C@H]3CCC[C@H]3O)CC1)OCO2 ZINC000371328008 418779519 /nfs/dbraw/zinc/77/95/19/418779519.db2.gz QYKPMPNBPKVOLW-UONOGXRCSA-N 0 3 320.389 1.152 20 10 DDCDHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc2c(cc1O)OCO2 ZINC000368976636 418727403 /nfs/dbraw/zinc/72/74/03/418727403.db2.gz XXNVMHYLQGHNAJ-ZSGNIPIJSA-N 0 3 304.346 1.207 20 10 DDCDHN Cn1ccc(N2CC[C@@H]([NH2+]Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000371716147 418811590 /nfs/dbraw/zinc/81/15/90/418811590.db2.gz VKYPPIRZKMMANN-GFCCVEGCSA-N 0 3 316.361 1.223 20 10 DDCDHN COc1ccc(N2CCC(N(C)C[C@H]3CNC(=O)O3)CC2)cc1 ZINC000376797905 337041362 /nfs/dbraw/zinc/04/13/62/337041362.db2.gz BSFSLVSCLNCWQX-MRXNPFEDSA-N 0 3 319.405 1.704 20 10 DDCDHN COc1ccc(N2CCN(C(=O)CN(C)C(C)C)CC2)cc1 ZINC000267903949 524410127 /nfs/dbraw/zinc/41/01/27/524410127.db2.gz HHCCVSPSRRLGRP-UHFFFAOYSA-N 0 3 305.422 1.684 20 10 DDCDHN O=C1OCCN1CCN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000749295981 700155175 /nfs/dbraw/zinc/15/51/75/700155175.db2.gz DEELHKNVZWZUKY-OAHLLOKOSA-N 0 3 320.389 1.825 20 10 DDCDHN C[C@H](NCC(=O)NC(=O)NC1CC1)c1ccc(N(C)C)cc1 ZINC000775829976 698042444 /nfs/dbraw/zinc/04/24/44/698042444.db2.gz BWIBUCDAVBGTRV-NSHDSACASA-N 0 3 304.394 1.391 20 10 DDCDHN COc1cccc(CN[C@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000776231112 698085710 /nfs/dbraw/zinc/08/57/10/698085710.db2.gz LWVAGRSPYXOZDG-AWEZNQCLSA-N 0 3 320.389 1.270 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)CC(N)=O)c1[O-] ZINC000776250828 698087807 /nfs/dbraw/zinc/08/78/07/698087807.db2.gz MWHJZPFCBKWNLT-MRVPVSSYSA-N 0 3 301.184 1.817 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCN(C)C1 ZINC000734662207 699658398 /nfs/dbraw/zinc/65/83/98/699658398.db2.gz WMEKMHXSXRKYKH-HNNXBMFYSA-N 0 3 304.438 1.954 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C)C[C@H]1C)cc2=O ZINC000740883332 699804985 /nfs/dbraw/zinc/80/49/85/699804985.db2.gz NNCOVVBJJDCSBK-WDEREUQCSA-N 0 3 318.377 1.842 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O)c([O-])c1 ZINC000756404322 700619867 /nfs/dbraw/zinc/61/98/67/700619867.db2.gz VTWGCYPQKDICSG-GFCCVEGCSA-N 0 3 300.424 1.633 20 10 DDCDHN CCOc1ccc(O)c(CNC(C)(C)CS(C)(=O)=O)c1 ZINC000762788015 700906987 /nfs/dbraw/zinc/90/69/87/700906987.db2.gz SCPVMNCGETXAGY-UHFFFAOYSA-N 0 3 301.408 1.704 20 10 DDCDHN CCN(CC(=O)NCc1ccc(N(C)C)cc1)C[C@H]1CCOC1 ZINC000764198173 700963394 /nfs/dbraw/zinc/96/33/94/700963394.db2.gz RVOIJVNUPDXDLD-MRXNPFEDSA-N 0 3 319.449 1.727 20 10 DDCDHN COc1cc(C)cc(CN2CCC[C@H](NC(=O)N(C)C)C2)c1O ZINC000840144958 701994317 /nfs/dbraw/zinc/99/43/17/701994317.db2.gz BHZCUFYKDDPMHW-AWEZNQCLSA-N 0 3 321.421 1.945 20 10 DDCDHN COCC(COC)N1CCN(Cc2cc(C)cc(C)c2O)CC1 ZINC000840171875 702009579 /nfs/dbraw/zinc/00/95/79/702009579.db2.gz QLRDKDVZKIOSGV-UHFFFAOYSA-N 0 3 322.449 1.788 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN1CCc2nn(C)c(=O)cc2C1 ZINC000840915933 702278633 /nfs/dbraw/zinc/27/86/33/702278633.db2.gz HWROQLVMZXHIEU-UHFFFAOYSA-N 0 3 312.417 1.713 20 10 DDCDHN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000841080729 702338390 /nfs/dbraw/zinc/33/83/90/702338390.db2.gz YBPMYKORZUDXBU-QWRGUYRKSA-N 0 3 303.175 1.944 20 10 DDCDHN [O-]c1c(Br)cccc1CNC[C@@H]1C[NH2+]CCCO1 ZINC000841085641 702340784 /nfs/dbraw/zinc/34/07/84/702340784.db2.gz JDNNEKFVTHLZGL-NSHDSACASA-N 0 3 315.211 1.623 20 10 DDCDHN CN(C)c1ccc(/C=C/CN[C@@H]2CCC(=O)N(C)C2=O)cc1 ZINC000818233846 702612466 /nfs/dbraw/zinc/61/24/66/702612466.db2.gz PJURUABRWALUEP-MBVDDHJVSA-N 0 3 301.390 1.503 20 10 DDCDHN COc1c([O-])c(CN2CCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000843123941 702824550 /nfs/dbraw/zinc/82/45/50/702824550.db2.gz SLGVZRYBPYDJOW-MRXNPFEDSA-N 0 3 321.377 1.885 20 10 DDCDHN CN1CCCc2cc(CNC(=O)COC3(C)CNC3)ccc21 ZINC000844177261 702984774 /nfs/dbraw/zinc/98/47/74/702984774.db2.gz DVKFYWVXBAQXMM-UHFFFAOYSA-N 0 3 303.406 1.064 20 10 DDCDHN C[C@@H]([NH2+]CC(=O)NCC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000879649334 706749739 /nfs/dbraw/zinc/74/97/39/706749739.db2.gz NPLXTNWXIZLBQN-LLVKDONJSA-N 0 3 308.378 1.501 20 10 DDCDHN COc1cc(O)c(CN2CCC3=C(CCC(=O)N3)C2)cc1OC ZINC000853519958 704257614 /nfs/dbraw/zinc/25/76/14/704257614.db2.gz KZDHQSJUPVVKFR-UHFFFAOYSA-N 0 3 318.373 1.779 20 10 DDCDHN CN(C)c1cc(F)c(CN[C@@H](CO)[C@H]2CCCOC2)cc1F ZINC000858177395 704674171 /nfs/dbraw/zinc/67/41/71/704674171.db2.gz DCAGCYDXYWRHLQ-NHYWBVRUSA-N 0 3 314.376 1.908 20 10 DDCDHN COC(=O)[C@@]1(OC)CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000859557278 704937057 /nfs/dbraw/zinc/93/70/57/704937057.db2.gz SMIPIILOTNOWSA-QGZVFWFLSA-N 0 3 306.406 1.825 20 10 DDCDHN Oc1cc2c(cc1CN1CC[C@H]([C@H](O)C(F)(F)F)C1)OCO2 ZINC000825123818 705604437 /nfs/dbraw/zinc/60/44/37/705604437.db2.gz CQHKJJDZKGNQDG-SDBXPKJASA-N 0 3 319.279 1.866 20 10 DDCDHN CCOc1ccc(O)c(CN2CC[C@](OC)(C(=O)OC)C2)c1 ZINC000862474253 705720799 /nfs/dbraw/zinc/72/07/99/705720799.db2.gz OYKPQKMNTHTAIY-MRXNPFEDSA-N 0 3 309.362 1.555 20 10 DDCDHN COC[C@]1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCCCN1 ZINC000876873131 705900396 /nfs/dbraw/zinc/90/03/96/705900396.db2.gz WJNVDRSQJFYEAH-SFHVURJKSA-N 0 3 319.449 1.870 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2COC[C@@H]2O)c1[O-] ZINC000877668524 706175566 /nfs/dbraw/zinc/17/55/66/706175566.db2.gz QOGFFXKMLIFLOH-MNOVXSKESA-N 0 3 302.168 1.312 20 10 DDCDHN CC(C)(O)C[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000878239873 706335526 /nfs/dbraw/zinc/33/55/26/706335526.db2.gz ALPMSZBCKARQRY-HOTGVXAUSA-N 0 3 323.433 1.895 20 10 DDCDHN CC(C)(O)C[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000878239873 706335528 /nfs/dbraw/zinc/33/55/28/706335528.db2.gz ALPMSZBCKARQRY-HOTGVXAUSA-N 0 3 323.433 1.895 20 10 DDCDHN CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834541586 707083601 /nfs/dbraw/zinc/08/36/01/707083601.db2.gz ZXCKIHZHSOZHJX-GFCCVEGCSA-N 0 3 312.435 1.687 20 10 DDCDHN CC[C@@H]1OCC[C@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000839200892 708036330 /nfs/dbraw/zinc/03/63/30/708036330.db2.gz ZHTRWJKAZZXGMO-SJORKVTESA-N 0 3 319.449 1.868 20 10 DDCDHN CN(C)c1cc(F)c(CN[C@H]2CC[C@@H](O)[C@@H](O)CC2)cc1F ZINC000886261918 708730957 /nfs/dbraw/zinc/73/09/57/708730957.db2.gz GGRNKLOUAFRZTM-WSXDHINRSA-N 0 3 314.376 1.785 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCCCO)N(C)C)cc1 ZINC000899101917 708983534 /nfs/dbraw/zinc/98/35/34/708983534.db2.gz JCZGFSQGCZGOTD-MRXNPFEDSA-N 0 3 322.453 1.427 20 10 DDCDHN C[C@@H](O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103045 708984028 /nfs/dbraw/zinc/98/40/28/708984028.db2.gz VPVBNSNRHCMHSV-CJNGLKHVSA-N 0 3 322.453 1.425 20 10 DDCDHN COC(=O)[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000901705334 710126686 /nfs/dbraw/zinc/12/66/86/710126686.db2.gz BFAIFHVIJURLII-IRXDYDNUSA-N 0 3 319.449 1.897 20 10 DDCDHN C[C@@H]1C[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CO1 ZINC000891248815 710141236 /nfs/dbraw/zinc/14/12/36/710141236.db2.gz OFNWBRFHXAAXOJ-KMFMINBZSA-N 0 3 319.449 1.897 20 10 DDCDHN Cc1noc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891247958 710141295 /nfs/dbraw/zinc/14/12/95/710141295.db2.gz IXULYFKQNRNKHS-CQSZACIVSA-N 0 3 317.393 1.477 20 10 DDCDHN COc1ccc(CN[C@H]2CCCS(=O)(=O)C2)c(O)c1OC ZINC000893022100 710543174 /nfs/dbraw/zinc/54/31/74/710543174.db2.gz JWDFXCOGKPNDGX-NSHDSACASA-N 0 3 315.391 1.076 20 10 DDCDHN COC(=O)N1CC(C)(NCc2ccc(OC)c(OC)c2O)C1 ZINC000893971312 710906145 /nfs/dbraw/zinc/90/61/45/710906145.db2.gz CDSWDLVJTFOGEM-UHFFFAOYSA-N 0 3 310.350 1.340 20 10 DDCDHN COC(=O)c1c(CN[C@@H](C)CC(N)=O)c2cc(F)ccc2n1C ZINC000894343021 711078242 /nfs/dbraw/zinc/07/82/42/711078242.db2.gz SHGUIVJHTUYPNV-VIFPVBQESA-N 0 3 321.352 1.458 20 10 DDCDHN O=c1cc(N2CC[C@@H]([NH2+][C@H]3CCc4cccc(O)c43)C2)nc[n-]1 ZINC000903399246 711114573 /nfs/dbraw/zinc/11/45/73/711114573.db2.gz MNANBLPPCLIXEZ-OLZOCXBDSA-N 0 3 312.373 1.744 20 10 DDCDHN [O-]c1c(Br)cccc1CN1CCNCC[NH2+]CC1 ZINC000904397145 711852275 /nfs/dbraw/zinc/85/22/75/711852275.db2.gz AKYIQNNYFRWBPN-UHFFFAOYSA-N 0 3 314.227 1.150 20 10 DDCDHN C[C@@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)C[N@@H+]1C1CC1 ZINC000921384056 713751879 /nfs/dbraw/zinc/75/18/79/713751879.db2.gz IXJGLQXNGCBCGJ-GHMZBOCLSA-N 0 3 307.369 1.956 20 10 DDCDHN C[C@@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)C[N@H+]1C1CC1 ZINC000921384056 713751880 /nfs/dbraw/zinc/75/18/80/713751880.db2.gz IXJGLQXNGCBCGJ-GHMZBOCLSA-N 0 3 307.369 1.956 20 10 DDCDHN CN(C)C[C@@H]1NC(=O)N(CCCSc2nccs2)C1=O ZINC000924639984 714625911 /nfs/dbraw/zinc/62/59/11/714625911.db2.gz IXISKVCXEIVLAP-VIFPVBQESA-N 0 3 314.436 1.107 20 10 DDCDHN c1cc(N2CCOCC2)ccc1CN1CCC[C@@H]1C1OCCO1 ZINC000933894192 714694958 /nfs/dbraw/zinc/69/49/58/714694958.db2.gz GKLKYRIAKCRQMJ-QGZVFWFLSA-N 0 3 318.417 1.861 20 10 DDCDHN C[C@@H]1[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C ZINC000925313044 714804455 /nfs/dbraw/zinc/80/44/55/714804455.db2.gz LDYCHEQRLKXWJR-CZUORRHYSA-N 0 3 304.438 1.987 20 10 DDCDHN CCN1CC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970953740 721007127 /nfs/dbraw/zinc/00/71/27/721007127.db2.gz IGNFFXNXPFMKNU-JTQLQIEISA-N 0 3 303.366 1.919 20 10 DDCDHN CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)CO1 ZINC001169407260 762400380 /nfs/dbraw/zinc/40/03/80/762400380.db2.gz AWJQLUMUAFZBKA-CJNGLKHVSA-N 0 3 305.374 1.861 20 10 DDCDHN CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)CO1 ZINC001169407260 762400383 /nfs/dbraw/zinc/40/03/83/762400383.db2.gz AWJQLUMUAFZBKA-CJNGLKHVSA-N 0 3 305.374 1.861 20 10 DDCDHN Oc1cc(O)c(CN2CCN3CC(F)(F)C[C@H]3C2)c(O)c1 ZINC001144515142 772558381 /nfs/dbraw/zinc/55/83/81/772558381.db2.gz FEJGDOZAGAQLSN-VIFPVBQESA-N 0 3 300.305 1.329 20 10 DDCDHN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])N1C1COC1 ZINC001272618023 846415420 /nfs/dbraw/zinc/41/54/20/846415420.db2.gz AEMBGPMZNOERPM-HUUCEWRRSA-N 0 3 302.374 1.356 20 10 DDCDHN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])N1C1COC1 ZINC001272618023 846415426 /nfs/dbraw/zinc/41/54/26/846415426.db2.gz AEMBGPMZNOERPM-HUUCEWRRSA-N 0 3 302.374 1.356 20 10 DDCDHN O=C1N(C2COC2)CC[C@@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273284769 849333186 /nfs/dbraw/zinc/33/31/86/849333186.db2.gz LIFIRUAJOIKTTL-QGZVFWFLSA-N 0 3 320.364 1.355 20 10 DDCDHN O=C1N(C2COC2)CC[C@@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001273284769 849333191 /nfs/dbraw/zinc/33/31/91/849333191.db2.gz LIFIRUAJOIKTTL-QGZVFWFLSA-N 0 3 320.364 1.355 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+]CCOCCCO)c1[O-] ZINC001327419405 862160044 /nfs/dbraw/zinc/16/00/44/862160044.db2.gz UXZBQHJCNMALSO-UHFFFAOYSA-N 0 3 318.211 1.952 20 10 DDCDHN Cc1ccc(C[NH+]2CCC3(CC2)CC(=O)NC(=O)C3)c([O-])c1 ZINC001140950853 860744809 /nfs/dbraw/zinc/74/48/09/860744809.db2.gz KZYFQIJTQCOPRS-UHFFFAOYSA-N 0 3 302.374 1.719 20 10 DDCDHN CNC(=O)NC1CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141033053 860768390 /nfs/dbraw/zinc/76/83/90/860768390.db2.gz XUNGXCFYDDNIGX-UHFFFAOYSA-N 0 3 323.393 1.303 20 10 DDCDHN Oc1ccc(O)c(CN2CCN(CCc3ccncc3)CC2)c1 ZINC001141158929 860798137 /nfs/dbraw/zinc/79/81/37/860798137.db2.gz RYMDPHLNBMRJEY-UHFFFAOYSA-N 0 3 313.401 1.853 20 10 DDCDHN COc1ncnc2c1CCN(Cc1cc(O)ccc1O)CC2 ZINC001141159542 860798423 /nfs/dbraw/zinc/79/84/23/860798423.db2.gz FWFIYHIZNBEGKM-UHFFFAOYSA-N 0 3 301.346 1.497 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC[C@@H](CO)C3)cc2F)CC1 ZINC001324167225 867117673 /nfs/dbraw/zinc/11/76/73/867117673.db2.gz MDRUFDXRLDCVLB-MRXNPFEDSA-N 0 3 321.440 1.782 20 10 DDCDHN CN1CCN(c2ccc(CN3C[C@H]4[C@H](CO)[C@H]4C3)cc2F)CC1 ZINC001324821056 867552246 /nfs/dbraw/zinc/55/22/46/867552246.db2.gz CDJHNQYSDNAULH-ZSHCYNCHSA-N 0 3 319.424 1.248 20 10 DDCDHN O=C1[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]2CN1c1cccnc1 ZINC001203555982 870639382 /nfs/dbraw/zinc/63/93/82/870639382.db2.gz LPFYVVZKUSKCED-HOCLYGCPSA-N 0 3 309.369 1.882 20 10 DDCDHN O=C1[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]2CN1c1cccnc1 ZINC001203555982 870639387 /nfs/dbraw/zinc/63/93/87/870639387.db2.gz LPFYVVZKUSKCED-HOCLYGCPSA-N 0 3 309.369 1.882 20 10 DDCDHN O=C([C@H]1CCCN(Cc2ccc(O)c(O)c2)C1)N1CCCC1 ZINC001203878214 870812773 /nfs/dbraw/zinc/81/27/73/870812773.db2.gz CXKLORAGOVFSQV-AWEZNQCLSA-N 0 3 304.390 1.932 20 10 DDCDHN CC(=O)N1CCO[C@H]2CCN(Cc3ccc(O)c(O)c3)CC[C@H]21 ZINC001203879026 870815523 /nfs/dbraw/zinc/81/55/23/870815523.db2.gz ZGKQCFKCBVCALS-PBHICJAKSA-N 0 3 320.389 1.310 20 10 DDCDHN COCCCCN1CCN(Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204350826 871071592 /nfs/dbraw/zinc/07/15/92/871071592.db2.gz JXVMUEQLKHXWIF-UHFFFAOYSA-N 0 3 324.421 1.651 20 10 DDCDHN COc1cc(C)c(CN2CCc3nn(C)c(=O)cc3C2)c(O)c1 ZINC001308582810 871512187 /nfs/dbraw/zinc/51/21/87/871512187.db2.gz QTIGFBMCEXFPGI-UHFFFAOYSA-N 0 3 315.373 1.361 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC001344820726 873133449 /nfs/dbraw/zinc/13/34/49/873133449.db2.gz CBCOAOFZOSTGKX-VIFPVBQESA-N 0 3 304.325 1.261 20 10 DDCDHN CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O ZINC001219923248 878598053 /nfs/dbraw/zinc/59/80/53/878598053.db2.gz FEMROWCQEDRLGV-LBPRGKRZSA-N 0 3 308.378 1.328 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CCO[C@H](CN(C)C)C1 ZINC001231851298 885907765 /nfs/dbraw/zinc/90/77/65/885907765.db2.gz DAZFXKOCSMWEGE-MRXNPFEDSA-N 0 3 307.438 1.524 20 10 DDCDHN COc1cc([O-])c(CN2CCOC[C@@H]2C[NH+](C)C)cc1Cl ZINC001232267495 886198228 /nfs/dbraw/zinc/19/82/28/886198228.db2.gz CQRRKBVRDPJDLA-LBPRGKRZSA-N 0 3 314.813 1.817 20 10 DDCDHN CN(C)C(=O)NC1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487105 887021780 /nfs/dbraw/zinc/02/17/80/887021780.db2.gz PZJXXBRYRGNQFY-UHFFFAOYSA-N 0 3 309.366 1.039 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](O)[C@H](CO)C3)c2c1 ZINC001234526089 888056153 /nfs/dbraw/zinc/05/61/53/888056153.db2.gz QGJUSFMTBLBIRO-SUMWQHHRSA-N 0 3 317.385 1.729 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](O)[C@H](CO)C3)c2c1 ZINC001234526089 888056167 /nfs/dbraw/zinc/05/61/67/888056167.db2.gz QGJUSFMTBLBIRO-SUMWQHHRSA-N 0 3 317.385 1.729 20 10 DDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1F)[C@H]1CCOC1 ZINC001236934079 889430172 /nfs/dbraw/zinc/43/01/72/889430172.db2.gz CHVGKZLVVVRZGO-INIZCTEOSA-N 0 3 307.413 1.798 20 10 DDCDHN C[C@@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000157138050 296014038 /nfs/dbraw/zinc/01/40/38/296014038.db2.gz PGXFOWJBYCYGIW-CJNGLKHVSA-N 0 3 305.422 1.607 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)c1 ZINC000273595862 130141343 /nfs/dbraw/zinc/14/13/43/130141343.db2.gz QMQCBQWYDVPPNF-DOMZBBRYSA-N 0 3 321.421 1.391 20 10 DDCDHN COc1cccc(CN[C@@H]2COc3ccccc3[C@H]2O)c1O ZINC000288720679 131337461 /nfs/dbraw/zinc/33/74/61/131337461.db2.gz ZYMPHJKHOOMLHJ-CXAGYDPISA-N 0 3 301.342 1.985 20 10 DDCDHN COc1ccc(N2CCN(C(=O)/C=C/CN(C)C)CC2)cc1F ZINC000267923294 407854581 /nfs/dbraw/zinc/85/45/81/407854581.db2.gz FTCPWJNNNHLMJF-SNAWJCMRSA-N 0 3 321.396 1.601 20 10 DDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000273464239 408209849 /nfs/dbraw/zinc/20/98/49/408209849.db2.gz DJCVSJGHGIZQGU-GFCCVEGCSA-N 0 3 322.405 1.286 20 10 DDCDHN CC(C)N(CCNS(C)(=O)=O)Cc1ccc(N(C)C)cc1 ZINC000264352785 408456051 /nfs/dbraw/zinc/45/60/51/408456051.db2.gz CUGZALCLVALNEE-UHFFFAOYSA-N 0 3 313.467 1.512 20 10 DDCDHN COc1cccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1[O-] ZINC000269906272 408464498 /nfs/dbraw/zinc/46/44/98/408464498.db2.gz HCVFPASSASXADG-HZPDHXFCSA-N 0 3 317.385 1.975 20 10 DDCDHN CCOCc1cc(CN[C@@H]2C(=O)NCC[C@H]2C)ccc1OC ZINC000193684206 408735880 /nfs/dbraw/zinc/73/58/80/408735880.db2.gz FSJFEQYWVGBUSS-WBMJQRKESA-N 0 3 306.406 1.846 20 10 DDCDHN CCCC[N@H+](CCCS(N)(=O)=O)Cc1ccccc1[O-] ZINC000282417221 409051217 /nfs/dbraw/zinc/05/12/17/409051217.db2.gz IYPXOMKSRLLZLC-UHFFFAOYSA-N 0 3 300.424 1.673 20 10 DDCDHN CCCC[N@@H+](CCCS(N)(=O)=O)Cc1ccccc1[O-] ZINC000282417221 409051218 /nfs/dbraw/zinc/05/12/18/409051218.db2.gz IYPXOMKSRLLZLC-UHFFFAOYSA-N 0 3 300.424 1.673 20 10 DDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293775960 409178460 /nfs/dbraw/zinc/17/84/60/409178460.db2.gz YYHBBTUHOXSWRM-CQSZACIVSA-N 0 3 306.341 1.452 20 10 DDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293775960 409178462 /nfs/dbraw/zinc/17/84/62/409178462.db2.gz YYHBBTUHOXSWRM-CQSZACIVSA-N 0 3 306.341 1.452 20 10 DDCDHN Cc1cc(CN2CCN(C[C@@H](C)O)C[C@H]2C)ccc1N(C)C ZINC000294447799 409290532 /nfs/dbraw/zinc/29/05/32/409290532.db2.gz FTHPKPLLCKZEKR-HZPDHXFCSA-N 0 3 305.466 1.948 20 10 DDCDHN CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@H](O)C(F)F ZINC000295082327 409316647 /nfs/dbraw/zinc/31/66/47/409316647.db2.gz QNBNSGQFXCYWCX-ZANVPECISA-N 0 3 305.321 1.904 20 10 DDCDHN Cc1cc(C[NH+]2CCC(c3nc(=O)[n-][nH]3)CC2)ccc1N(C)C ZINC000294278301 409271039 /nfs/dbraw/zinc/27/10/39/409271039.db2.gz VYKAFGXQHAVEKQ-UHFFFAOYSA-N 0 3 315.421 1.852 20 10 DDCDHN OC[C@@H](O)CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000377155980 418705748 /nfs/dbraw/zinc/70/57/48/418705748.db2.gz WEMFPRPZJYNKMF-SFHVURJKSA-N 0 3 312.413 1.692 20 10 DDCDHN C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccccc1[O-] ZINC000371681361 418808323 /nfs/dbraw/zinc/80/83/23/418808323.db2.gz QDLMDKCYNUDYBH-HZPDHXFCSA-N 0 3 319.449 1.449 20 10 DDCDHN CC[C@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccccc1[O-] ZINC000372336627 418857750 /nfs/dbraw/zinc/85/77/50/418857750.db2.gz IGQVLZCJLAELIC-AWEZNQCLSA-N 0 3 316.409 1.625 20 10 DDCDHN CN1CCc2cc(CNC(=O)N3CCN4CCC[C@@H]4C3)ccc21 ZINC000372452950 418872265 /nfs/dbraw/zinc/87/22/65/418872265.db2.gz FOZCCDISHWCMOC-MRXNPFEDSA-N 0 3 314.433 1.669 20 10 DDCDHN CN1CCc2cc(CNC(=O)NCC3=CCN(C)CC3)ccc21 ZINC000372461593 418872784 /nfs/dbraw/zinc/87/27/84/418872784.db2.gz AERQVQLMVDKZLY-UHFFFAOYSA-N 0 3 314.433 1.740 20 10 DDCDHN C[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000157138202 279391716 /nfs/dbraw/zinc/39/17/16/279391716.db2.gz PGXFOWJBYCYGIW-XJKSGUPXSA-N 0 3 305.422 1.607 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1 ZINC000375358398 337009083 /nfs/dbraw/zinc/00/90/83/337009083.db2.gz YXKCCAAEDGWHKN-KRWDZBQOSA-N 0 3 304.390 1.845 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1 ZINC000375358398 337009084 /nfs/dbraw/zinc/00/90/84/337009084.db2.gz YXKCCAAEDGWHKN-KRWDZBQOSA-N 0 3 304.390 1.845 20 10 DDCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC000179659691 337170950 /nfs/dbraw/zinc/17/09/50/337170950.db2.gz QABDCCMIHUWBCZ-MRXNPFEDSA-N 0 3 318.417 1.771 20 10 DDCDHN Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC000179659691 337170951 /nfs/dbraw/zinc/17/09/51/337170951.db2.gz QABDCCMIHUWBCZ-MRXNPFEDSA-N 0 3 318.417 1.771 20 10 DDCDHN CN(C)CCN(C(=O)c1ccnc2c1CC(=O)N2)c1ccccc1 ZINC000667568547 484669445 /nfs/dbraw/zinc/66/94/45/484669445.db2.gz HKGDNIQQWMORHE-UHFFFAOYSA-N 0 3 324.384 1.785 20 10 DDCDHN CN1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000152897976 490674983 /nfs/dbraw/zinc/67/49/83/490674983.db2.gz RYUBMWZMZLSXIN-UHFFFAOYSA-N 0 3 314.433 1.956 20 10 DDCDHN CCn1nccc1N1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1=O ZINC000191642433 523731047 /nfs/dbraw/zinc/73/10/47/523731047.db2.gz XFUKNWGNKVJESG-CQSZACIVSA-N 0 3 314.389 1.894 20 10 DDCDHN CNC(=O)[C@@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC000180582263 524087093 /nfs/dbraw/zinc/08/70/93/524087093.db2.gz RPNLRONBTJPEAN-INIZCTEOSA-N 0 3 300.358 1.492 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCC(=O)N2CCOCC2)c1 ZINC000182446904 524770126 /nfs/dbraw/zinc/77/01/26/524770126.db2.gz USAMBJZPYXNLCS-LBPRGKRZSA-N 0 3 308.378 1.300 20 10 DDCDHN CC[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)N1CCOCC1 ZINC000297731224 535809138 /nfs/dbraw/zinc/80/91/38/535809138.db2.gz NPFQNBGHNSMZOW-KGLIPLIRSA-N 0 3 304.390 1.607 20 10 DDCDHN C[C@@H](N[C@@H](C)C(=O)NC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000747815684 700087948 /nfs/dbraw/zinc/08/79/48/700087948.db2.gz LFAQHZOMMNOUKP-KGLIPLIRSA-N 0 3 317.433 1.841 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c([O-])c1 ZINC000186168933 697530768 /nfs/dbraw/zinc/53/07/68/697530768.db2.gz UWTHHYIYFRBMAB-QWHCGFSZSA-N 0 3 312.435 1.775 20 10 DDCDHN COCCN(C)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773276089 697737353 /nfs/dbraw/zinc/73/73/53/697737353.db2.gz JFQIRRMLFJZXKT-AWEZNQCLSA-N 0 3 322.453 1.691 20 10 DDCDHN COc1ccc(N2CCN(CCC(=O)N3CCCC3)CC2)cc1 ZINC000244546992 697821532 /nfs/dbraw/zinc/82/15/32/697821532.db2.gz ZZRGNPMIHVDWSH-UHFFFAOYSA-N 0 3 317.433 1.830 20 10 DDCDHN OCC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000305733397 698652354 /nfs/dbraw/zinc/65/23/54/698652354.db2.gz OWXQDTYBXWKLPU-UHFFFAOYSA-N 0 3 308.397 1.867 20 10 DDCDHN CC(=O)c1cc(F)cc(C[NH+]2CCC3(CNC(=O)O3)CC2)c1[O-] ZINC000782004384 698672680 /nfs/dbraw/zinc/67/26/80/698672680.db2.gz LIYCGNNIDSCFEM-UHFFFAOYSA-N 0 3 322.336 1.808 20 10 DDCDHN CC(C)[C@H](CNC(=O)Cc1ccc(N)cc1)N1CCN(C)CC1 ZINC000320373725 698719828 /nfs/dbraw/zinc/71/98/28/698719828.db2.gz PHAVIMAXHTVKRV-KRWDZBQOSA-N 0 3 318.465 1.200 20 10 DDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000796516305 699937026 /nfs/dbraw/zinc/93/70/26/699937026.db2.gz IRYCDBWSLQLARM-CYBMUJFWSA-N 0 3 304.312 1.745 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756789958 700641192 /nfs/dbraw/zinc/64/11/92/700641192.db2.gz JHFVFPFYTGHHGE-ZYHUDNBSSA-N 0 3 308.353 1.528 20 10 DDCDHN CCOc1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c(O)c1 ZINC000769328487 701241461 /nfs/dbraw/zinc/24/14/61/701241461.db2.gz PURUQBWOZHHYJK-IAGOWNOFSA-N 0 3 320.433 1.822 20 10 DDCDHN CC[C@H](CO)N1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840915452 702277649 /nfs/dbraw/zinc/27/76/49/702277649.db2.gz ASBTWNPGJYYXBE-QGZVFWFLSA-N 0 3 305.466 1.950 20 10 DDCDHN COc1ccc(N(C)C[C@@H]2CCCN(C(=O)CN)C2)cc1F ZINC000841012025 702309773 /nfs/dbraw/zinc/30/97/73/702309773.db2.gz WRZNWBUWCABOHR-LBPRGKRZSA-N 0 3 309.385 1.468 20 10 DDCDHN COc1cc(O)c(CN2C[C@H](C)N(CCO)C[C@H]2C)cc1OC ZINC000841890512 702607393 /nfs/dbraw/zinc/60/73/93/702607393.db2.gz BYZCFRLESXVPSS-QWHCGFSZSA-N 0 3 324.421 1.296 20 10 DDCDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1C1CCOCC1 ZINC000866427173 706696684 /nfs/dbraw/zinc/69/66/84/706696684.db2.gz KLJNWKKIRHUSAT-CABCVRRESA-N 0 3 316.401 1.749 20 10 DDCDHN CCOc1cccc(CN2C[C@@H](O)C[C@H](C(=O)OC)C2)c1O ZINC000843435605 702882066 /nfs/dbraw/zinc/88/20/66/702882066.db2.gz WGZNLCRFIQPPJL-STQMWFEESA-N 0 3 309.362 1.147 20 10 DDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CNCCO1 ZINC000843485582 702890971 /nfs/dbraw/zinc/89/09/71/702890971.db2.gz MNURKLBFFVNPQX-QGZVFWFLSA-N 0 3 319.449 1.868 20 10 DDCDHN COc1cccc([C@H](C)NCc2ccc(C(N)=O)nc2)c1O ZINC000846144316 703242188 /nfs/dbraw/zinc/24/21/88/703242188.db2.gz CEGIDEBUQXIOOM-JTQLQIEISA-N 0 3 301.346 1.746 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)[C@@H](N)CC(C)C)cc1 ZINC000846696813 703319160 /nfs/dbraw/zinc/31/91/60/703319160.db2.gz IAILQIHKYPBDIN-INIZCTEOSA-N 0 3 307.438 1.963 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000850342764 703725603 /nfs/dbraw/zinc/72/56/03/703725603.db2.gz MVTCQWHWMOHTHJ-UHFFFAOYSA-N 0 3 313.419 1.705 20 10 DDCDHN CC[C@H](C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)N(C)C ZINC000819584920 704145449 /nfs/dbraw/zinc/14/54/49/704145449.db2.gz UKPOHJVVGHZGHJ-RHSMWYFYSA-N 0 3 319.449 1.978 20 10 DDCDHN CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC000856594436 704533289 /nfs/dbraw/zinc/53/32/89/704533289.db2.gz ZNXPSAVTCBNCIG-KRWDZBQOSA-N 0 3 317.389 1.907 20 10 DDCDHN CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC000856594436 704533290 /nfs/dbraw/zinc/53/32/90/704533290.db2.gz ZNXPSAVTCBNCIG-KRWDZBQOSA-N 0 3 317.389 1.907 20 10 DDCDHN Cc1ccc(O)c(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000858191958 704675950 /nfs/dbraw/zinc/67/59/50/704675950.db2.gz CSYPDELRLNGYIY-CABCVRRESA-N 0 3 319.405 1.363 20 10 DDCDHN C[C@@H]1C[C@H](O)CN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000825312825 705643616 /nfs/dbraw/zinc/64/36/16/705643616.db2.gz YHJGONZFHSYPNR-HIFRSBDPSA-N 0 3 308.397 1.865 20 10 DDCDHN NC(=O)C[C@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC000862534794 705728217 /nfs/dbraw/zinc/72/82/17/705728217.db2.gz HDRPTOGKWYCNST-ZDUSSCGKSA-N 0 3 300.358 1.622 20 10 DDCDHN Cc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c([O-])c1 ZINC000876542711 705752285 /nfs/dbraw/zinc/75/22/85/705752285.db2.gz SASQHXRMDQFJDW-UHFFFAOYSA-N 0 3 318.417 1.771 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1COCCO1 ZINC000827141750 705938585 /nfs/dbraw/zinc/93/85/85/705938585.db2.gz WMPGLPDZIQJEOU-OAHLLOKOSA-N 0 3 324.396 1.510 20 10 DDCDHN Cc1ccc(CNCCS(=O)(=O)CC(F)(F)F)c(O)c1 ZINC000877627356 706163979 /nfs/dbraw/zinc/16/39/79/706163979.db2.gz RFFGEKPCMLJVIT-UHFFFAOYSA-N 0 3 311.325 1.767 20 10 DDCDHN CN(Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1COCCO1 ZINC000877629015 706164498 /nfs/dbraw/zinc/16/44/98/706164498.db2.gz PIPIQTHSGILZCY-GOSISDBHSA-N 0 3 320.433 1.495 20 10 DDCDHN COc1c([O-])c(CN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000897620523 708396845 /nfs/dbraw/zinc/39/68/45/708396845.db2.gz RVCOFGHULYAIAO-BLLLJJGKSA-N 0 3 321.377 1.693 20 10 DDCDHN COc1c([O-])c(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000897620523 708396849 /nfs/dbraw/zinc/39/68/49/708396849.db2.gz RVCOFGHULYAIAO-BLLLJJGKSA-N 0 3 321.377 1.693 20 10 DDCDHN CO[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000891248754 710141282 /nfs/dbraw/zinc/14/12/82/710141282.db2.gz NSGZDCWMLSWUET-IAGOWNOFSA-N 0 3 319.449 1.897 20 10 DDCDHN CCO[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251193 710141928 /nfs/dbraw/zinc/14/19/28/710141928.db2.gz ATDCEJZWIHMASI-CZUORRHYSA-N 0 3 307.438 1.897 20 10 DDCDHN COCC1(O)CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892068295 710365050 /nfs/dbraw/zinc/36/50/50/710365050.db2.gz JVDGQJNNKGGWSE-UHFFFAOYSA-N 0 3 311.378 1.383 20 10 DDCDHN COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccc(OC)cc2[O-])C1(F)F ZINC000894635926 711225573 /nfs/dbraw/zinc/22/55/73/711225573.db2.gz JJNLUEWZEKUBGF-CMPLNLGQSA-N 0 3 301.289 1.545 20 10 DDCDHN C[C@@H]1[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1C ZINC000915390800 713418143 /nfs/dbraw/zinc/41/81/43/713418143.db2.gz QMZWZBUSYDENMF-CZUORRHYSA-N 0 3 316.449 1.961 20 10 DDCDHN NC(=O)N=Nc1ccc(C(=O)NC2CCN(CCO)CC2)cc1 ZINC001004241053 748165606 /nfs/dbraw/zinc/16/56/06/748165606.db2.gz GHTPQTLHHHQZRW-UHFFFAOYSA-N 0 3 319.365 1.036 20 10 DDCDHN CN1CCN(c2ccc(CN3CC4(C3)CCOC4)cc2F)CC1 ZINC001326343718 861294768 /nfs/dbraw/zinc/29/47/68/861294768.db2.gz OJFPLNZXKREVAE-UHFFFAOYSA-N 0 3 319.424 1.800 20 10 DDCDHN CCCCN1C[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272618085 846414930 /nfs/dbraw/zinc/41/49/30/846414930.db2.gz BAZTVPJZFYYBAX-GOSISDBHSA-N 0 3 318.417 1.996 20 10 DDCDHN CCCCN1C[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272618085 846414935 /nfs/dbraw/zinc/41/49/35/846414935.db2.gz BAZTVPJZFYYBAX-GOSISDBHSA-N 0 3 318.417 1.996 20 10 DDCDHN CN(C)c1ccc(CN2C[C@@]3(CC2=O)COCCN(C)C3)cc1 ZINC001273526487 851061286 /nfs/dbraw/zinc/06/12/86/851061286.db2.gz GKSQSDXSVZCSQD-SFHVURJKSA-N 0 3 317.433 1.433 20 10 DDCDHN CNC(=O)[C@@H]1CC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001273842675 851411098 /nfs/dbraw/zinc/41/10/98/851411098.db2.gz GBPFTWAZQCFPBV-NSHDSACASA-N 0 3 306.362 1.152 20 10 DDCDHN Cc1ccc(CN2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c(O)c1 ZINC001276169854 854874484 /nfs/dbraw/zinc/87/44/84/854874484.db2.gz YIRXYCYKTSHGHA-IYBDPMFKSA-N 0 3 317.433 1.437 20 10 DDCDHN COc1ccnc(O[C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140056392 860566634 /nfs/dbraw/zinc/56/66/34/860566634.db2.gz UVEQHSAMNWJFSV-ZDUSSCGKSA-N 0 3 319.336 1.983 20 10 DDCDHN COc1ccnc(O[C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC001140056392 860566637 /nfs/dbraw/zinc/56/66/37/860566637.db2.gz UVEQHSAMNWJFSV-ZDUSSCGKSA-N 0 3 319.336 1.983 20 10 DDCDHN COc1ccnc(O[C@H]2CCN(Cc3cc(F)ccc3O)C2)n1 ZINC001140056392 860566641 /nfs/dbraw/zinc/56/66/41/860566641.db2.gz UVEQHSAMNWJFSV-ZDUSSCGKSA-N 0 3 319.336 1.983 20 10 DDCDHN OC[C@H]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)C[C@@H]1O ZINC001141074445 860782515 /nfs/dbraw/zinc/78/25/15/860782515.db2.gz HXDUPYRHMUOULH-MSOLQXFVSA-N 0 3 316.445 1.561 20 10 DDCDHN Oc1ccc(O)c(CN2CCC[C@@H](Oc3ncccn3)C2)c1 ZINC001141162870 860799198 /nfs/dbraw/zinc/79/91/98/860799198.db2.gz IOTDFRZSMMENKA-CQSZACIVSA-N 0 3 301.346 1.931 20 10 DDCDHN NC(C(=O)N1CCCc2cc(O)c(O)cc2C1)C(F)(F)F ZINC001160924094 866188980 /nfs/dbraw/zinc/18/89/80/866188980.db2.gz BYRBCXKPIGQKQI-NSHDSACASA-N 0 3 304.268 1.262 20 10 DDCDHN COc1ccc(CNC/C=C\CNC(=O)CC(C)(C)O)cc1C ZINC001321040448 867250199 /nfs/dbraw/zinc/25/01/99/867250199.db2.gz YEKYNOFURQJLAX-WAYWQWQTSA-N 0 3 320.433 1.927 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC(OCC(N)=O)CC2)c([O-])c1 ZINC001324745669 867493888 /nfs/dbraw/zinc/49/38/88/867493888.db2.gz DPROUDBOPNDYSO-UHFFFAOYSA-N 0 3 308.378 1.257 20 10 DDCDHN COCCCCN1CCN(Cc2cc(OC)ccc2O)CC1 ZINC001203683679 870711256 /nfs/dbraw/zinc/71/12/56/870711256.db2.gz APRBJLNEWAYGKI-UHFFFAOYSA-N 0 3 308.422 1.945 20 10 DDCDHN Oc1ccc(CN2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)cc1O ZINC001203876379 870810965 /nfs/dbraw/zinc/81/09/65/870810965.db2.gz CIGFUFKERUOBRB-ZIAGYGMSSA-N 0 3 312.373 1.456 20 10 DDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c([O-])c1 ZINC001308855506 871535061 /nfs/dbraw/zinc/53/50/61/871535061.db2.gz QOTKVJILPBDUHI-DOMZBBRYSA-N 0 3 304.390 1.810 20 10 DDCDHN COc1cc(C)c(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c([O-])c1 ZINC001308855506 871535073 /nfs/dbraw/zinc/53/50/73/871535073.db2.gz QOTKVJILPBDUHI-DOMZBBRYSA-N 0 3 304.390 1.810 20 10 DDCDHN COc1cccc(CNCc2c(C)nn(CCO)c2C)c1O ZINC001343281825 872563596 /nfs/dbraw/zinc/56/35/96/872563596.db2.gz AERMPBJTBQIYRQ-UHFFFAOYSA-N 0 3 305.378 1.496 20 10 DDCDHN [NH3+][C@H](CC(=O)N[C@H]1CNc2ccccc2C1)c1ccccc1[O-] ZINC001220602457 879130432 /nfs/dbraw/zinc/13/04/32/879130432.db2.gz WSDPRSAHVOORFE-UKRRQHHQSA-N 0 3 311.385 1.935 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CC[C@H](N2CCOCC2)C1 ZINC001231853730 885907232 /nfs/dbraw/zinc/90/72/32/885907232.db2.gz PGYKHNOCFRTYAY-KRWDZBQOSA-N 0 3 319.449 1.668 20 10 DDCDHN CN(C)c1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)c(O)c1 ZINC001232838982 886627195 /nfs/dbraw/zinc/62/71/95/886627195.db2.gz LNROJAUKISZNFX-KRWDZBQOSA-N 0 3 319.449 1.755 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](CO)[C@H](O)C3)c2c1 ZINC001234525178 888052104 /nfs/dbraw/zinc/05/21/04/888052104.db2.gz BVAYWNLRVBYSBN-SCLBCKFNSA-N 0 3 317.385 1.729 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](CO)[C@H](O)C3)c2c1 ZINC001234525178 888052115 /nfs/dbraw/zinc/05/21/15/888052115.db2.gz BVAYWNLRVBYSBN-SCLBCKFNSA-N 0 3 317.385 1.729 20 10 DDCDHN COc1cc([O-])c(CN2C[C@@H]3C[NH2+]C[C@@H]32)c(Br)c1 ZINC001236296521 889169147 /nfs/dbraw/zinc/16/91/47/889169147.db2.gz QZTDUNWAVFANKI-UFBFGSQYSA-N 0 3 313.195 1.567 20 10 DDCDHN CCc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N(C)C)C[C@H]32)c([O-])c1 ZINC001236785161 889354425 /nfs/dbraw/zinc/35/44/25/889354425.db2.gz GFNDVFYWRWOOCF-DJIMGWMZSA-N 0 3 318.417 1.775 20 10 DDCDHN CCc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N(C)C)C[C@H]32)c([O-])c1 ZINC001236785161 889354444 /nfs/dbraw/zinc/35/44/44/889354444.db2.gz GFNDVFYWRWOOCF-DJIMGWMZSA-N 0 3 318.417 1.775 20 10 DDCDHN NC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237056702 889487041 /nfs/dbraw/zinc/48/70/41/889487041.db2.gz NWFDFVFRKKKBFS-SNVBAGLBSA-N 0 3 318.295 1.641 20 10 DDCDHN NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001237056702 889487044 /nfs/dbraw/zinc/48/70/44/889487044.db2.gz NWFDFVFRKKKBFS-SNVBAGLBSA-N 0 3 318.295 1.641 20 10 DDCDHN COc1cc(CN2CCN(CC3CC3)CC2)c(O)c(OC)c1 ZINC001237677026 889798588 /nfs/dbraw/zinc/79/85/88/889798588.db2.gz WBPLLQXDWKPUID-UHFFFAOYSA-N 0 3 306.406 1.937 20 10 DDCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)COCC(=O)N3)c1[O-] ZINC001237680579 889801563 /nfs/dbraw/zinc/80/15/63/889801563.db2.gz UFPFCHWLFMNZPR-UHFFFAOYSA-N 0 3 324.808 1.835 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@]23CCOC3)c([O-])c1 ZINC001249208188 893867589 /nfs/dbraw/zinc/86/75/89/893867589.db2.gz PBCZRPRBOGKOQZ-KRWDZBQOSA-N 0 3 305.374 1.863 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@]23CCOC3)c([O-])c1 ZINC001249208188 893867602 /nfs/dbraw/zinc/86/76/02/893867602.db2.gz PBCZRPRBOGKOQZ-KRWDZBQOSA-N 0 3 305.374 1.863 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCCCC1)cc2=O ZINC000047274466 352488838 /nfs/dbraw/zinc/48/88/38/352488838.db2.gz ZALJGKBMTZTRTR-UHFFFAOYSA-N 0 3 318.377 1.988 20 10 DDCDHN C[C@@H](O)CN1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](C)C1 ZINC000284417817 131079093 /nfs/dbraw/zinc/07/90/93/131079093.db2.gz QZUZBYRHCFADHR-NWDGAFQWSA-N 0 3 308.378 1.008 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H](CO)Cc1ccccc1)OCO2 ZINC000152687216 407670757 /nfs/dbraw/zinc/67/07/57/407670757.db2.gz HMLFHJUOYGQLRY-CQSZACIVSA-N 0 3 301.342 1.814 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000180031877 407847974 /nfs/dbraw/zinc/84/79/74/407847974.db2.gz HQRPOHOODWCOGW-HNNXBMFYSA-N 0 3 320.433 1.945 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000180031877 407847990 /nfs/dbraw/zinc/84/79/90/407847990.db2.gz HQRPOHOODWCOGW-HNNXBMFYSA-N 0 3 320.433 1.945 20 10 DDCDHN C[C@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000269267014 408239416 /nfs/dbraw/zinc/23/94/16/408239416.db2.gz ZOAVQHPOBOVYGH-UTUOFQBUSA-N 0 3 309.385 1.403 20 10 DDCDHN CCOC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000247016810 408386496 /nfs/dbraw/zinc/38/64/96/408386496.db2.gz XTEPNDFOQILVQI-HZPDHXFCSA-N 0 3 309.406 1.771 20 10 DDCDHN CCOC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000247016810 408386498 /nfs/dbraw/zinc/38/64/98/408386498.db2.gz XTEPNDFOQILVQI-HZPDHXFCSA-N 0 3 309.406 1.771 20 10 DDCDHN C[C@H]1CN(CCCCNC(=O)Cc2ccc(N)cc2)C[C@H](C)O1 ZINC000165558938 408811615 /nfs/dbraw/zinc/81/16/15/408811615.db2.gz GJUSWYIJHBXSHA-GJZGRUSLSA-N 0 3 319.449 1.817 20 10 DDCDHN COc1cccc(CN2CCC[C@@H](n3cc(CO)nn3)C2)c1O ZINC000293551199 409136297 /nfs/dbraw/zinc/13/62/97/409136297.db2.gz DYOGGZHVWHPUGP-CQSZACIVSA-N 0 3 318.377 1.322 20 10 DDCDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc2c(cc1[O-])OCO2 ZINC000289719350 409284744 /nfs/dbraw/zinc/28/47/44/409284744.db2.gz PHESTSDPGUYCPC-CPTIBSQESA-N 0 3 303.358 1.976 20 10 DDCDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc2c(cc1[O-])OCO2 ZINC000289719350 409284745 /nfs/dbraw/zinc/28/47/45/409284745.db2.gz PHESTSDPGUYCPC-CPTIBSQESA-N 0 3 303.358 1.976 20 10 DDCDHN COC1CCN(c2ccc(CN(CCO)C[C@H](C)O)cc2)CC1 ZINC000295195175 409367704 /nfs/dbraw/zinc/36/77/04/409367704.db2.gz LYHCKDNUWFRRDQ-HNNXBMFYSA-N 0 3 322.449 1.477 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@H]2CCOC2(C)C)cc1 ZINC000295242779 409394671 /nfs/dbraw/zinc/39/46/71/409394671.db2.gz PMPXUWCXKBLJLR-HNNXBMFYSA-N 0 3 305.422 1.526 20 10 DDCDHN CNS(=O)(=O)[C@H]1CCCN(Cc2cc(C)c(C)cc2O)C1 ZINC000360539479 418459395 /nfs/dbraw/zinc/45/93/95/418459395.db2.gz SUERWORNDDWLAR-AWEZNQCLSA-N 0 3 312.435 1.523 20 10 DDCDHN O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)CN1 ZINC000361099193 418583423 /nfs/dbraw/zinc/58/34/23/418583423.db2.gz BLWAISMSIJGESU-WCQYABFASA-N 0 3 318.373 1.612 20 10 DDCDHN O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)CN1 ZINC000361099193 418583427 /nfs/dbraw/zinc/58/34/27/418583427.db2.gz BLWAISMSIJGESU-WCQYABFASA-N 0 3 318.373 1.612 20 10 DDCDHN CCOc1ccc(O)c(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000375488243 418647054 /nfs/dbraw/zinc/64/70/54/418647054.db2.gz ZHMHSJOGRXHWCQ-PJODQICGSA-N 0 3 304.390 1.877 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1 ZINC000368329719 418719273 /nfs/dbraw/zinc/71/92/73/418719273.db2.gz DUIMCWJVQVYPJQ-IUODEOHRSA-N 0 3 306.406 1.915 20 10 DDCDHN CN(Cc1ccccc1O)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000376242860 418693987 /nfs/dbraw/zinc/69/39/87/418693987.db2.gz YVOORICBXHEQOE-DHSIGJKJSA-N 0 3 318.417 1.883 20 10 DDCDHN COc1ccc(O)c(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000362048907 418744892 /nfs/dbraw/zinc/74/48/92/418744892.db2.gz XWMVZXZHFFJXHP-WBVHZDCISA-N 0 3 306.406 1.432 20 10 DDCDHN CCOC(=O)[C@](C)(O)CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000364289234 418775223 /nfs/dbraw/zinc/77/52/23/418775223.db2.gz KBBPNOPXFQZXFA-GOSISDBHSA-N 0 3 318.417 1.766 20 10 DDCDHN Cc1ccc(O)c(CN2CCN(c3ccc(=O)[nH]n3)CC2)c1 ZINC000371332821 418779412 /nfs/dbraw/zinc/77/94/12/418779412.db2.gz BCQXLQOPVYPIHI-UHFFFAOYSA-N 0 3 300.362 1.518 20 10 DDCDHN CC[C@H](N[C@H](C)c1cc(OC)ccc1O)C(=O)N1CCOCC1 ZINC000185665011 288080784 /nfs/dbraw/zinc/08/07/84/288080784.db2.gz XSWIHHYRRDHTBQ-DOMZBBRYSA-N 0 3 322.405 1.689 20 10 DDCDHN CN(C)c1ccc(CN(CCCS(N)(=O)=O)C2CC2)cc1 ZINC000266014320 522174002 /nfs/dbraw/zinc/17/40/02/522174002.db2.gz MUWKCMYOUMZKOM-UHFFFAOYSA-N 0 3 311.451 1.396 20 10 DDCDHN COC(=O)[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC1(C)C ZINC000364232377 523975495 /nfs/dbraw/zinc/97/54/95/523975495.db2.gz ZEGDAQVLRWJXCG-LLVKDONJSA-N 0 3 307.346 1.752 20 10 DDCDHN COC(=O)[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)CC1(C)C ZINC000364232377 523975497 /nfs/dbraw/zinc/97/54/97/523975497.db2.gz ZEGDAQVLRWJXCG-LLVKDONJSA-N 0 3 307.346 1.752 20 10 DDCDHN COC(=O)[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)CC1(C)C ZINC000364232377 523975499 /nfs/dbraw/zinc/97/54/99/523975499.db2.gz ZEGDAQVLRWJXCG-LLVKDONJSA-N 0 3 307.346 1.752 20 10 DDCDHN OCC1(CN(Cc2ccco2)Cc2ccccc2O)COC1 ZINC000089126274 696572614 /nfs/dbraw/zinc/57/26/14/696572614.db2.gz NEBKOIZWYMYQLE-UHFFFAOYSA-N 0 3 303.358 1.996 20 10 DDCDHN Cc1cc(N2CCN(Cc3ccccc3O)CC2)n2ncnc2n1 ZINC000179566510 697439329 /nfs/dbraw/zinc/43/93/29/697439329.db2.gz AKEQCWDQAUGMKW-UHFFFAOYSA-N 0 3 324.388 1.461 20 10 DDCDHN COc1c([O-])c(C[NH2+]C[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000775010845 697953938 /nfs/dbraw/zinc/95/39/38/697953938.db2.gz FYEHJHDAZWUURS-LLVKDONJSA-N 0 3 309.366 1.740 20 10 DDCDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NC(=O)NC(C)C)c1 ZINC000775370928 697989187 /nfs/dbraw/zinc/98/91/87/697989187.db2.gz XNMKRQDAQSHWHN-MNOVXSKESA-N 0 3 323.393 1.674 20 10 DDCDHN COC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776174738 698076113 /nfs/dbraw/zinc/07/61/13/698076113.db2.gz RWGYQOPLWOBIJH-CYBMUJFWSA-N 0 3 318.211 1.950 20 10 DDCDHN Oc1cc2c(cc1CN1CCC(O)(C(F)F)CC1)[C@H](O)CO2 ZINC000777575227 698204390 /nfs/dbraw/zinc/20/43/90/698204390.db2.gz QZRGFHBJDJVUAG-GFCCVEGCSA-N 0 3 315.316 1.410 20 10 DDCDHN COc1cc(O)c(CN2CCN(CCO)C(C)(C)C2)cc1OC ZINC000783714596 698870328 /nfs/dbraw/zinc/87/03/28/698870328.db2.gz SWGDTPYGZXPPPA-UHFFFAOYSA-N 0 3 324.421 1.298 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)[C@@H](O)CO2 ZINC000789506631 699390836 /nfs/dbraw/zinc/39/08/36/699390836.db2.gz NDWDOSCHXBIMCF-VNQPRFMTSA-N 0 3 305.374 1.961 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)[C@@H](O)CO2 ZINC000789506631 699390839 /nfs/dbraw/zinc/39/08/39/699390839.db2.gz NDWDOSCHXBIMCF-VNQPRFMTSA-N 0 3 305.374 1.961 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(C(N)=O)nc2)c1 ZINC000756639667 700632924 /nfs/dbraw/zinc/63/29/24/700632924.db2.gz BWDGZQBIXSVAAS-SNVBAGLBSA-N 0 3 301.346 1.746 20 10 DDCDHN C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc(F)ccc1[O-] ZINC000756687275 700635073 /nfs/dbraw/zinc/63/50/73/700635073.db2.gz LDVHYXZQKAJTAB-LLVKDONJSA-N 0 3 316.398 1.608 20 10 DDCDHN COC(=O)CCN(Cc1c(O)cccc1OC)C[C@H]1CCCO1 ZINC000769447220 701245160 /nfs/dbraw/zinc/24/51/60/701245160.db2.gz VXJYXUKGSOTQMZ-CYBMUJFWSA-N 0 3 323.389 1.945 20 10 DDCDHN COC(=O)CC[N@@H+](Cc1c([O-])cccc1OC)C[C@H]1CCCO1 ZINC000769447220 701245161 /nfs/dbraw/zinc/24/51/61/701245161.db2.gz VXJYXUKGSOTQMZ-CYBMUJFWSA-N 0 3 323.389 1.945 20 10 DDCDHN COC(=O)CC[N@H+](Cc1c([O-])cccc1OC)C[C@H]1CCCO1 ZINC000769447220 701245162 /nfs/dbraw/zinc/24/51/62/701245162.db2.gz VXJYXUKGSOTQMZ-CYBMUJFWSA-N 0 3 323.389 1.945 20 10 DDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCNS(C)(=O)=O)c1[O-] ZINC000808674495 701530581 /nfs/dbraw/zinc/53/05/81/701530581.db2.gz UHEXFTWSJUBIDS-JTQLQIEISA-N 0 3 320.842 1.944 20 10 DDCDHN CCN(C)c1ccc(CN2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000815103461 701800009 /nfs/dbraw/zinc/80/00/09/701800009.db2.gz QUQJFURTKYFYIV-QGZVFWFLSA-N 0 3 316.405 1.317 20 10 DDCDHN NC(=O)C[C@H](NCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000815154103 701816979 /nfs/dbraw/zinc/81/69/79/701816979.db2.gz BEALJKQWDFAPLM-ZDUSSCGKSA-N 0 3 314.341 1.827 20 10 DDCDHN C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccccc1[O-] ZINC000840781641 702236873 /nfs/dbraw/zinc/23/68/73/702236873.db2.gz QTSCDGIYKVKORB-OAHLLOKOSA-N 0 3 320.433 1.924 20 10 DDCDHN COc1c([O-])c(C[NH2+][C@@H](CN)C2CCCC2)ccc1[N+](=O)[O-] ZINC000841087493 702341423 /nfs/dbraw/zinc/34/14/23/702341423.db2.gz QJXPXXSFFABFDS-LBPRGKRZSA-N 0 3 309.366 1.916 20 10 DDCDHN COc1c([O-])c(CN(C)C[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000817417586 702374865 /nfs/dbraw/zinc/37/48/65/702374865.db2.gz PXQCOLQJEJGKFY-LBPRGKRZSA-N 0 3 309.366 1.835 20 10 DDCDHN COc1c([O-])c(CN(C)C[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000817417586 702374872 /nfs/dbraw/zinc/37/48/72/702374872.db2.gz PXQCOLQJEJGKFY-LBPRGKRZSA-N 0 3 309.366 1.835 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3nnnn3CC2)c1[O-] ZINC000817418784 702376505 /nfs/dbraw/zinc/37/65/05/702376505.db2.gz GJFPZZALFJKQEG-LLVKDONJSA-N 0 3 323.784 1.535 20 10 DDCDHN CC[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccccc1[O-] ZINC000866521582 706720503 /nfs/dbraw/zinc/72/05/03/706720503.db2.gz NRVWQTOXGFNVBO-BBRMVZONSA-N 0 3 306.362 1.654 20 10 DDCDHN CCc1cccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000848885729 703598321 /nfs/dbraw/zinc/59/83/21/703598321.db2.gz MXUUGAUUIJGDCR-IAGOWNOFSA-N 0 3 304.434 1.986 20 10 DDCDHN CCc1cccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000848885731 703598522 /nfs/dbraw/zinc/59/85/22/703598522.db2.gz MXUUGAUUIJGDCR-IRXDYDNUSA-N 0 3 304.434 1.986 20 10 DDCDHN CN1C[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC000823101996 705139998 /nfs/dbraw/zinc/13/99/98/705139998.db2.gz XYGJWUTUMMXMLC-WCQYABFASA-N 0 3 301.350 1.625 20 10 DDCDHN CCN(C)C(=O)[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877468569 706115729 /nfs/dbraw/zinc/11/57/29/706115729.db2.gz JZFGYIWJGOUAJE-CQSZACIVSA-N 0 3 319.449 1.604 20 10 DDCDHN CCO[C@H](CNC(=O)NCc1c([O-])cccc1F)C[NH+](C)C ZINC000926852483 712912888 /nfs/dbraw/zinc/91/28/88/712912888.db2.gz YJXDXPNXWXCXSX-LLVKDONJSA-N 0 3 313.373 1.297 20 10 DDCDHN N[C@H](CC1CC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000884194166 708181930 /nfs/dbraw/zinc/18/19/30/708181930.db2.gz AWYLPMJFPCKTTO-MRXNPFEDSA-N 0 3 319.474 1.983 20 10 DDCDHN CC[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC ZINC000901707451 710127765 /nfs/dbraw/zinc/12/77/65/710127765.db2.gz XCFYGNHJMLMBNE-HZPDHXFCSA-N 0 3 307.438 1.897 20 10 DDCDHN CO[C@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254963 710143287 /nfs/dbraw/zinc/14/32/87/710143287.db2.gz LFAOBEJKHALBBM-CJNGLKHVSA-N 0 3 307.438 1.897 20 10 DDCDHN COc1cccc([C@@H](C)NCc2cnc3n2CCOC3)c1O ZINC000903420643 711120647 /nfs/dbraw/zinc/12/06/47/711120647.db2.gz PKDUUCCJUAMOCT-LLVKDONJSA-N 0 3 303.362 1.978 20 10 DDCDHN COc1ccc(CN[C@@H]2CCN(C(C)(C)C)C2=O)c(O)c1OC ZINC000895085309 711402566 /nfs/dbraw/zinc/40/25/66/711402566.db2.gz HSTJHBWNUKOUOS-GFCCVEGCSA-N 0 3 322.405 1.898 20 10 DDCDHN Oc1cccc(CNC(=S)NCCN2CCCCC2)c1O ZINC001200440178 748234265 /nfs/dbraw/zinc/23/42/65/748234265.db2.gz KHZJKDCZTUESSJ-UHFFFAOYSA-N 0 3 309.435 1.548 20 10 DDCDHN CCC[NH+]1C[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@@H]2C1 ZINC001148587756 773540397 /nfs/dbraw/zinc/54/03/97/773540397.db2.gz LUAZABYSJVMGGX-RYUDHWBXSA-N 0 3 306.362 1.217 20 10 DDCDHN CCN(Cc1ccc(N2CCC(O)CC2)cc1)C1CN(C)C1 ZINC001140287113 860613034 /nfs/dbraw/zinc/61/30/34/860613034.db2.gz JBMGIDJKDBFMRI-UHFFFAOYSA-N 0 3 303.450 1.784 20 10 DDCDHN Cc1ccc(C[NH+]2CCC(N3CCOCC3=O)CC2)c([O-])c1 ZINC001140953836 860746082 /nfs/dbraw/zinc/74/60/82/860746082.db2.gz HPSPXAOSXXKVNA-UHFFFAOYSA-N 0 3 304.390 1.524 20 10 DDCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028237 860765208 /nfs/dbraw/zinc/76/52/08/860765208.db2.gz HBQUGDMTAHETTQ-NSHDSACASA-N 0 3 309.362 1.794 20 10 DDCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028237 860765215 /nfs/dbraw/zinc/76/52/15/860765215.db2.gz HBQUGDMTAHETTQ-NSHDSACASA-N 0 3 309.362 1.794 20 10 DDCDHN CCOC(=O)[C@H]1CCN(Cc2c(O)cc(OC)cc2OC)C1 ZINC001141028237 860765221 /nfs/dbraw/zinc/76/52/21/860765221.db2.gz HBQUGDMTAHETTQ-NSHDSACASA-N 0 3 309.362 1.794 20 10 DDCDHN COc1ccc(CNC/C=C\CNC(=O)[C@H]2CCCO2)cc1C ZINC001320958101 867155117 /nfs/dbraw/zinc/15/51/17/867155117.db2.gz YOVAEERNYAVBQW-CWIOURORSA-N 0 3 318.417 1.945 20 10 DDCDHN COCCn1cc(CNCc2cc(C)cc(OC)c2O)cn1 ZINC001334366951 867517882 /nfs/dbraw/zinc/51/78/82/867517882.db2.gz JFORXBBVFAXOBL-UHFFFAOYSA-N 0 3 305.378 1.842 20 10 DDCDHN CCN(CC)CC(=O)N1CCN(Cc2ccc(N)cc2)CC1 ZINC001334774494 867824676 /nfs/dbraw/zinc/82/46/76/867824676.db2.gz KCHPLSIFIZQXGA-UHFFFAOYSA-N 0 3 304.438 1.255 20 10 DDCDHN [NH3+]C[C@]1(O)CCCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001205724925 871753923 /nfs/dbraw/zinc/75/39/23/871753923.db2.gz AREMXRUEWZXGFU-CQSZACIVSA-N 0 3 302.777 1.860 20 10 DDCDHN O=C(NCC(F)F)[C@@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2 ZINC001277485325 885207268 /nfs/dbraw/zinc/20/72/68/885207268.db2.gz ZLRYVTPQIJGYJI-JTQLQIEISA-N 0 3 314.307 1.735 20 10 DDCDHN COC(=O)c1c(CN2CC(N(C)C)C2)c2ccccc2n1C ZINC001232402900 886336831 /nfs/dbraw/zinc/33/68/31/886336831.db2.gz RIITZXYUZPWLPY-UHFFFAOYSA-N 0 3 301.390 1.711 20 10 DDCDHN CN(C)c1ccc(CN2CCN(c3ccncn3)CC2)c(O)c1 ZINC001232841117 886629874 /nfs/dbraw/zinc/62/98/74/886629874.db2.gz TYMXZERLKBEOBB-UHFFFAOYSA-N 0 3 313.405 1.570 20 10 DDCDHN CC(=O)[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2F)C1 ZINC001236942867 889435348 /nfs/dbraw/zinc/43/53/48/889435348.db2.gz NUNNGLWATMIHJG-OAHLLOKOSA-N 0 3 319.424 1.988 20 10 DDCDHN COC(=O)[C@@H]1COCCC12CN(Cc1c(C)cccc1O)C2 ZINC001237491190 889667566 /nfs/dbraw/zinc/66/75/66/889667566.db2.gz IMVQAXRJQDAASB-AWEZNQCLSA-N 0 3 305.374 1.712 20 10 DDCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001237640846 889778022 /nfs/dbraw/zinc/77/80/22/889778022.db2.gz GNONZVFIXLARKD-MAUKXSAKSA-N 0 3 317.360 1.983 20 10 DDCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001237640846 889778031 /nfs/dbraw/zinc/77/80/31/889778031.db2.gz GNONZVFIXLARKD-MAUKXSAKSA-N 0 3 317.360 1.983 20 10 DDCDHN COc1cc(CN2CCC3(CC2)OCCO3)c(O)c(OC)c1 ZINC001237668197 889794327 /nfs/dbraw/zinc/79/43/27/889794327.db2.gz ANZIJFGXULVDMP-UHFFFAOYSA-N 0 3 309.362 1.748 20 10 DDCDHN COc1cc(CN2CC[C@@H](N(C)C(C)=O)C2)c(O)c(OC)c1 ZINC001237684915 889804655 /nfs/dbraw/zinc/80/46/55/889804655.db2.gz TUJDIMZZNZOAFW-CYBMUJFWSA-N 0 3 308.378 1.462 20 10 DDCDHN COc1cc(CNC23CC(C(=O)N(C)C)(C2)C3)cc(O)c1O ZINC001278234996 890221086 /nfs/dbraw/zinc/22/10/86/890221086.db2.gz FSILRYKCOMGUJL-UHFFFAOYSA-N 0 3 306.362 1.207 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c([O-])c1 ZINC001249207774 893868036 /nfs/dbraw/zinc/86/80/36/893868036.db2.gz IRKIRJHDFWTSFZ-GOEBONIOSA-N 0 3 305.374 1.719 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c([O-])c1 ZINC001249207774 893868048 /nfs/dbraw/zinc/86/80/48/893868048.db2.gz IRKIRJHDFWTSFZ-GOEBONIOSA-N 0 3 305.374 1.719 20 10 DDCDHN C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1[O-] ZINC000272898576 130072315 /nfs/dbraw/zinc/07/23/15/130072315.db2.gz UQHNLRQPLWCYDI-GOEBONIOSA-N 0 3 319.449 1.986 20 10 DDCDHN CC[C@@H]([NH2+]CCN1CCN(C(C)=O)CC1)c1ccccc1[O-] ZINC000273687025 130153398 /nfs/dbraw/zinc/15/33/98/130153398.db2.gz HSFHMNSHFJKBMD-MRXNPFEDSA-N 0 3 305.422 1.597 20 10 DDCDHN C[C@@H](CN(C)C)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000287318017 131275087 /nfs/dbraw/zinc/27/50/87/131275087.db2.gz WTYYGZBDPJYWDF-PPYMECGQSA-N 0 3 317.433 1.603 20 10 DDCDHN COc1cccc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)c1[O-] ZINC000289431501 131385618 /nfs/dbraw/zinc/38/56/18/131385618.db2.gz KUXCDSKTTLMJAT-NSHDSACASA-N 0 3 313.419 1.704 20 10 DDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCN(C)CC1 ZINC000074191351 406904848 /nfs/dbraw/zinc/90/48/48/406904848.db2.gz GNXYBKPZPAAGTR-UHFFFAOYSA-N 0 3 303.406 1.820 20 10 DDCDHN O=C1CCCN1CCN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000109761610 407397341 /nfs/dbraw/zinc/39/73/41/407397341.db2.gz YMGYLCSWGVWNQU-INIZCTEOSA-N 0 3 318.417 1.996 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000186167004 407592623 /nfs/dbraw/zinc/59/26/23/407592623.db2.gz MPNJLHBXCMJDMH-STQMWFEESA-N 0 3 312.435 1.633 20 10 DDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1CSCCN1 ZINC000237150948 407799382 /nfs/dbraw/zinc/79/93/82/407799382.db2.gz VBERESHNRKRQAC-GFCCVEGCSA-N 0 3 321.446 1.573 20 10 DDCDHN CCOc1cccc(CN2CCCN(CC(=O)OC)CC2)c1O ZINC000121388370 408200534 /nfs/dbraw/zinc/20/05/34/408200534.db2.gz BMYOGASKJBQXFO-UHFFFAOYSA-N 0 3 322.405 1.472 20 10 DDCDHN COc1ccc(O)c(CN2CCC(C(=O)N(C)OC)CC2)c1 ZINC000291291853 408863652 /nfs/dbraw/zinc/86/36/52/408863652.db2.gz PQHAOAMDPTWTMM-UHFFFAOYSA-N 0 3 308.378 1.633 20 10 DDCDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)N(C)OC)CC2)c1 ZINC000291291853 408863654 /nfs/dbraw/zinc/86/36/54/408863654.db2.gz PQHAOAMDPTWTMM-UHFFFAOYSA-N 0 3 308.378 1.633 20 10 DDCDHN CNCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000281557833 408890021 /nfs/dbraw/zinc/89/00/21/408890021.db2.gz ZUZUHKPEKTYHJP-TXEJJXNPSA-N 0 3 309.385 1.275 20 10 DDCDHN COc1cc([O-])c(C[NH2+]CC2([S@](C)=O)CCC2)cc1OC ZINC000281856432 408942273 /nfs/dbraw/zinc/94/22/73/408942273.db2.gz SRCALEODCSUOHB-NRFANRHFSA-N 0 3 313.419 1.800 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CC2(OCCO)CCOCC2)c([O-])c1 ZINC000281937318 408957508 /nfs/dbraw/zinc/95/75/08/408957508.db2.gz BHHNUUAKQPTDEJ-AWEZNQCLSA-N 0 3 309.406 1.909 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@H](N)C(C)C)CC2)cc1F ZINC000292437129 409028816 /nfs/dbraw/zinc/02/88/16/409028816.db2.gz JMNWLLAWNVLIIQ-OAHLLOKOSA-N 0 3 309.385 1.466 20 10 DDCDHN COC[C@@H](CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000279857639 409252997 /nfs/dbraw/zinc/25/29/97/409252997.db2.gz SHWCXUYMPXLNBH-LLVKDONJSA-N 0 3 304.184 1.560 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c1 ZINC000366486418 418479645 /nfs/dbraw/zinc/47/96/45/418479645.db2.gz XNLKQSBLZPCHKX-NDMJEZRESA-N 0 3 304.346 1.056 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c1 ZINC000366486418 418479647 /nfs/dbraw/zinc/47/96/47/418479647.db2.gz XNLKQSBLZPCHKX-NDMJEZRESA-N 0 3 304.346 1.056 20 10 DDCDHN CN1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)CC1 ZINC000377618265 418712106 /nfs/dbraw/zinc/71/21/06/418712106.db2.gz CAFKNEICUDLTSX-INIZCTEOSA-N 0 3 303.450 1.852 20 10 DDCDHN CN1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)CC1 ZINC000377618265 418712109 /nfs/dbraw/zinc/71/21/09/418712109.db2.gz CAFKNEICUDLTSX-INIZCTEOSA-N 0 3 303.450 1.852 20 10 DDCDHN CCOc1cccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000378346026 418721479 /nfs/dbraw/zinc/72/14/79/418721479.db2.gz CCVUGLVFWMVDCN-HZPDHXFCSA-N 0 3 320.433 1.822 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000362237051 418751571 /nfs/dbraw/zinc/75/15/71/418751571.db2.gz NXMAMVIUVYTLKJ-AWEZNQCLSA-N 0 3 314.389 1.949 20 10 DDCDHN C[C@@H]1C[C@H]1N1C[C@@H](NCc2ccc(N(C)C)c(F)c2)CC1=O ZINC000363414550 418765716 /nfs/dbraw/zinc/76/57/16/418765716.db2.gz OMIBMUWKKGXBBZ-PVXIVEMSSA-N 0 3 305.397 1.991 20 10 DDCDHN COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c1[O-] ZINC000364654735 278011415 /nfs/dbraw/zinc/01/14/15/278011415.db2.gz OYSXMGSZTVEMSD-QGZVFWFLSA-N 0 3 304.390 1.845 20 10 DDCDHN COc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c1[O-] ZINC000364654735 278011416 /nfs/dbraw/zinc/01/14/16/278011416.db2.gz OYSXMGSZTVEMSD-QGZVFWFLSA-N 0 3 304.390 1.845 20 10 DDCDHN Cc1cccc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1O ZINC000180755414 337177744 /nfs/dbraw/zinc/17/77/44/337177744.db2.gz APAYBHAYXKUISV-OAHLLOKOSA-N 0 3 324.446 1.701 20 10 DDCDHN CN(C)[C@@]1(CNC(=O)NCc2ccccc2O)CCSC1 ZINC000267159893 522062527 /nfs/dbraw/zinc/06/25/27/522062527.db2.gz JGTCECGQOCXFJY-OAHLLOKOSA-N 0 3 309.435 1.629 20 10 DDCDHN CCOc1ccc(O)c(CN2CCN(C[C@H](C)O)C[C@H]2C)c1 ZINC000284500769 535751929 /nfs/dbraw/zinc/75/19/29/535751929.db2.gz XPHKYTOMGKMQEO-KGLIPLIRSA-N 0 3 308.422 1.678 20 10 DDCDHN CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185971287 697527070 /nfs/dbraw/zinc/52/70/70/697527070.db2.gz DBEBHGDBAZAQML-JTQLQIEISA-N 0 3 304.387 1.510 20 10 DDCDHN C[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1ccc(N(C)C)cc1 ZINC000775406953 697993883 /nfs/dbraw/zinc/99/38/83/697993883.db2.gz QMRGNJOSPCFHQB-PBHICJAKSA-N 0 3 316.449 1.320 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@H](N)C3CCC3)CC2)cc1 ZINC000398987344 699122140 /nfs/dbraw/zinc/12/21/40/699122140.db2.gz IDBBDQYJWMUDJC-MRXNPFEDSA-N 0 3 303.406 1.471 20 10 DDCDHN CNS(=O)(=O)[C@@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000733301643 699587764 /nfs/dbraw/zinc/58/77/64/699587764.db2.gz VRLUVTRIZYTRDO-OAHLLOKOSA-N 0 3 324.446 1.395 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CCCN(C)S(C)(=O)=O)c([O-])c1 ZINC000756404323 700619908 /nfs/dbraw/zinc/61/99/08/700619908.db2.gz VTWGCYPQKDICSG-LBPRGKRZSA-N 0 3 300.424 1.633 20 10 DDCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2nnc(C)[nH]2)c1 ZINC000757635959 700666985 /nfs/dbraw/zinc/66/69/85/700666985.db2.gz CHEPXIKEILBPQH-VIFPVBQESA-N 0 3 304.350 1.499 20 10 DDCDHN Cc1cc(CN2CCN([C@@H]3CCOC3)CC2)ccc1N(C)C ZINC000815075699 701793570 /nfs/dbraw/zinc/79/35/70/701793570.db2.gz JWTRUZXJDGACSS-QGZVFWFLSA-N 0 3 303.450 1.968 20 10 DDCDHN CCOc1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)c([O-])c1 ZINC000817419376 702375957 /nfs/dbraw/zinc/37/59/57/702375957.db2.gz UUWGVWTXCQWOJW-LBPRGKRZSA-N 0 3 303.366 1.272 20 10 DDCDHN OC[C@H]1[C@@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]12 ZINC000814171714 702489112 /nfs/dbraw/zinc/48/91/12/702489112.db2.gz QJXWBGFERITJDF-FICVDOATSA-N 0 3 306.381 1.332 20 10 DDCDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1C1CCOCC1 ZINC000866427174 706696638 /nfs/dbraw/zinc/69/66/38/706696638.db2.gz KLJNWKKIRHUSAT-GJZGRUSLSA-N 0 3 316.401 1.749 20 10 DDCDHN CN(CC(=O)N1CC[NH2+]CC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000843044561 702807454 /nfs/dbraw/zinc/80/74/54/702807454.db2.gz JEUCMRPVUYYTIO-UHFFFAOYSA-N 0 3 315.776 1.048 20 10 DDCDHN CNS(=O)(=O)CCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000866459190 706703874 /nfs/dbraw/zinc/70/38/74/706703874.db2.gz VEQXQOVCQYXHOV-SNVBAGLBSA-N 0 3 320.842 1.944 20 10 DDCDHN C[NH+](C)CCN1CCN(Cc2cc(Cl)ccc2[O-])CC1=O ZINC000846010170 703226154 /nfs/dbraw/zinc/22/61/54/703226154.db2.gz CSNVSWLNWWESAM-UHFFFAOYSA-N 0 3 311.813 1.251 20 10 DDCDHN COc1cccc([C@@H](C)NCC(=O)NCC(F)(F)F)c1O ZINC000846141518 703242069 /nfs/dbraw/zinc/24/20/69/703242069.db2.gz KWKDKQJGNMHKJS-MRVPVSSYSA-N 0 3 306.284 1.730 20 10 DDCDHN Cc1cc(CN2CC[C@@H](O)[C@@H](O)C2)ccc1N1CCCCC1 ZINC000879609479 706736183 /nfs/dbraw/zinc/73/61/83/706736183.db2.gz XIOPIWJVNUWPJD-MSOLQXFVSA-N 0 3 304.434 1.913 20 10 DDCDHN CCCNC(=O)CN(C)C(=O)CN[C@H](C)c1ccccc1O ZINC000879648780 706749706 /nfs/dbraw/zinc/74/97/06/706749706.db2.gz DLGHPOALVJLKGG-GFCCVEGCSA-N 0 3 307.394 1.027 20 10 DDCDHN CCCNC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648780 706749708 /nfs/dbraw/zinc/74/97/08/706749708.db2.gz DLGHPOALVJLKGG-GFCCVEGCSA-N 0 3 307.394 1.027 20 10 DDCDHN CO[C@@](C)(CO)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000848921848 703604127 /nfs/dbraw/zinc/60/41/27/703604127.db2.gz IFYPUIOPILRZDX-CYBMUJFWSA-N 0 3 318.211 1.950 20 10 DDCDHN COCCN(CC1CC[NH+](C)CC1)C(=O)c1cccc(O)c1[O-] ZINC000869761909 703844125 /nfs/dbraw/zinc/84/41/25/703844125.db2.gz DOXHHCQOZPCUNX-UHFFFAOYSA-N 0 3 322.405 1.528 20 10 DDCDHN CC[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)N(C)C ZINC000819584922 704145618 /nfs/dbraw/zinc/14/56/18/704145618.db2.gz UKPOHJVVGHZGHJ-YOEHRIQHSA-N 0 3 319.449 1.978 20 10 DDCDHN Oc1cc2c(cc1CN1CCC[C@@H](n3ccnn3)C1)OCO2 ZINC000819894857 704182078 /nfs/dbraw/zinc/18/20/78/704182078.db2.gz CKPSOHWRRBIBPJ-GFCCVEGCSA-N 0 3 302.334 1.550 20 10 DDCDHN COCC[C@@](C)(O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858138451 704669606 /nfs/dbraw/zinc/66/96/06/704669606.db2.gz AOEJMYKLFSPYIW-OAHLLOKOSA-N 0 3 302.365 1.908 20 10 DDCDHN CN(C)c1cc(F)c(CN[C@H](CO)[C@@H]2CCCOC2)cc1F ZINC000858177394 704674187 /nfs/dbraw/zinc/67/41/87/704674187.db2.gz DCAGCYDXYWRHLQ-IAQYHMDHSA-N 0 3 314.376 1.908 20 10 DDCDHN CCOc1ccc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c([O-])c1 ZINC000824501336 705466387 /nfs/dbraw/zinc/46/63/87/705466387.db2.gz HXIBQTXDYHQFIA-RDJZCZTQSA-N 0 3 306.406 1.696 20 10 DDCDHN CCOc1ccc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c([O-])c1 ZINC000824501336 705466388 /nfs/dbraw/zinc/46/63/88/705466388.db2.gz HXIBQTXDYHQFIA-RDJZCZTQSA-N 0 3 306.406 1.696 20 10 DDCDHN CCOc1ccc(O)c(CN2CC[C@H](N3CCOC3=O)C2)c1 ZINC000826994470 705908687 /nfs/dbraw/zinc/90/86/87/705908687.db2.gz IELFSUXLHSQJBB-ZDUSSCGKSA-N 0 3 306.362 1.817 20 10 DDCDHN CO[C@@H]1COC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877606146 706156931 /nfs/dbraw/zinc/15/69/31/706156931.db2.gz QGZPUGKECQANIR-IAGOWNOFSA-N 0 3 306.406 1.151 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC(c2nnnn2C)CC1 ZINC000877781994 706209769 /nfs/dbraw/zinc/20/97/69/706209769.db2.gz UNZNAECJOUHYCD-UHFFFAOYSA-N 0 3 303.366 1.304 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H](CCCO)C2)cc1 ZINC000832783013 706982752 /nfs/dbraw/zinc/98/27/52/706982752.db2.gz MRZQKYLQVGFHPV-INIZCTEOSA-N 0 3 319.449 1.463 20 10 DDCDHN CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834798489 707121966 /nfs/dbraw/zinc/12/19/66/707121966.db2.gz HCDVJDLOJLKZME-ZIAGYGMSSA-N 0 3 324.446 1.783 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000872321003 707382254 /nfs/dbraw/zinc/38/22/54/707382254.db2.gz PCDGUAIRLHCZAQ-IYBDPMFKSA-N 0 3 317.433 1.289 20 10 DDCDHN C[C@@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1ccccc1[O-] ZINC000886696484 708816182 /nfs/dbraw/zinc/81/61/82/708816182.db2.gz PCCZEJZOMWMLSB-LLVKDONJSA-N 0 3 313.361 1.027 20 10 DDCDHN CC[C@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900184371 709319020 /nfs/dbraw/zinc/31/90/20/709319020.db2.gz BBBRLQLGQSHNNQ-CABCVRRESA-N 0 3 318.421 1.686 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H](O)C2CCC2)N(C)C)cc1 ZINC000891247013 710140688 /nfs/dbraw/zinc/14/06/88/710140688.db2.gz GLKAGGXADBIEOF-SJORKVTESA-N 0 3 319.449 1.633 20 10 DDCDHN CC1=NO[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891248410 710141287 /nfs/dbraw/zinc/14/12/87/710141287.db2.gz MJSMGGQKLYPLKT-HOTGVXAUSA-N 0 3 318.421 1.636 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2=COCCO2)N(C)C)cc1 ZINC000891257437 710144364 /nfs/dbraw/zinc/14/43/64/710144364.db2.gz HDVVFDWLBMYORK-OAHLLOKOSA-N 0 3 319.405 1.360 20 10 DDCDHN COc1ccc(CN2CCSC[C@H]2CCO)c(O)c1OC ZINC000892221986 710397945 /nfs/dbraw/zinc/39/79/45/710397945.db2.gz LDCQXLZWQCUEIL-GFCCVEGCSA-N 0 3 313.419 1.709 20 10 DDCDHN CC[C@H](CO)N1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000894062545 710947783 /nfs/dbraw/zinc/94/77/83/710947783.db2.gz ALURHYMPKTWRDE-OAHLLOKOSA-N 0 3 308.422 1.598 20 10 DDCDHN C[C@@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CN2CCC1CC2 ZINC000912375355 711299637 /nfs/dbraw/zinc/29/96/37/711299637.db2.gz FWBXCFGMDFDLLZ-NJELEJDNSA-N 0 3 302.374 1.712 20 10 DDCDHN CCN(CC)c1ccc(CNC2(C(=O)NC)CCOCC2)cc1 ZINC000895883470 711636790 /nfs/dbraw/zinc/63/67/90/711636790.db2.gz GFONJNGRYWTZMO-UHFFFAOYSA-N 0 3 319.449 1.918 20 10 DDCDHN CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1c([O-])cccc1F ZINC000905662478 712110381 /nfs/dbraw/zinc/11/03/81/712110381.db2.gz WCZWVMGQFXPZEU-NSHDSACASA-N 0 3 311.426 1.980 20 10 DDCDHN CC[N@H+]1CCC[C@H]1CNC(=S)NCc1c([O-])cccc1F ZINC000905662478 712110383 /nfs/dbraw/zinc/11/03/83/712110383.db2.gz WCZWVMGQFXPZEU-NSHDSACASA-N 0 3 311.426 1.980 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000919081992 713580874 /nfs/dbraw/zinc/58/08/74/713580874.db2.gz QDRDQFBSFRGWPD-BBRMVZONSA-N 0 3 304.438 1.953 20 10 DDCDHN NC(=O)C1(NCc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000930001578 713733465 /nfs/dbraw/zinc/73/34/65/713733465.db2.gz VHXIYHHOGYSXBD-UHFFFAOYSA-N 0 3 303.406 1.411 20 10 DDCDHN O=C1COc2ccccc2CN1CC[NH2+]Cc1ccccc1[O-] ZINC000922461416 714061164 /nfs/dbraw/zinc/06/11/64/714061164.db2.gz IMCGASLXKYWBCJ-UHFFFAOYSA-N 0 3 312.369 1.903 20 10 DDCDHN Cc1cc([O-])c(CN2CC[C@@H](O)[C@H]([NH3+])C2)cc1Br ZINC001206110003 772270165 /nfs/dbraw/zinc/27/01/65/772270165.db2.gz LLRFFKLUUJSVMK-VXGBXAGGSA-N 0 3 315.211 1.357 20 10 DDCDHN COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C[C@@H]1C(=O)OC ZINC001173562100 777240020 /nfs/dbraw/zinc/24/00/20/777240020.db2.gz ACZCLNXLKLXASK-VTPLQMEGSA-N 0 3 321.373 1.784 20 10 DDCDHN O=C1N(C2COC2)CC[C@]12CCC[N@H+]2Cc1ccccc1[O-] ZINC001272618651 846416006 /nfs/dbraw/zinc/41/60/06/846416006.db2.gz LGGACVFGEOMJGQ-QGZVFWFLSA-N 0 3 302.374 1.358 20 10 DDCDHN O=C1N(C2COC2)CC[C@]12CCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618651 846416014 /nfs/dbraw/zinc/41/60/14/846416014.db2.gz LGGACVFGEOMJGQ-QGZVFWFLSA-N 0 3 302.374 1.358 20 10 DDCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CNCCN2C)cc1 ZINC001121983146 858651475 /nfs/dbraw/zinc/65/14/75/858651475.db2.gz YJLWCFXKYUEWEH-QGZVFWFLSA-N 0 3 318.465 1.395 20 10 DDCDHN CCN1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CCOCC2)cc1F ZINC001140667594 860670897 /nfs/dbraw/zinc/67/08/97/860670897.db2.gz ZHXGVUJLNLKBHO-IRXDYDNUSA-N 0 3 319.424 1.941 20 10 DDCDHN COc1ccc(CNC/C=C/CNC(=O)c2cn[nH]c2)cc1C ZINC001320979026 867174576 /nfs/dbraw/zinc/17/45/76/867174576.db2.gz MWAKDLYWAXNEAU-ONEGZZNKSA-N 0 3 314.389 1.803 20 10 DDCDHN COc1cccc(CN2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)c1O ZINC001203589287 870656443 /nfs/dbraw/zinc/65/64/43/870656443.db2.gz FUKPHQDOQQGSGG-NFAWXSAZSA-N 0 3 320.389 1.221 20 10 DDCDHN CCNC(=O)CO[C@H]1CCCN(Cc2cc(OC)ccc2O)C1 ZINC001203680181 870707871 /nfs/dbraw/zinc/70/78/71/870707871.db2.gz IWVXFESNKXPPTN-HNNXBMFYSA-N 0 3 322.405 1.518 20 10 DDCDHN CC(C)[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCN1 ZINC001301116983 870976348 /nfs/dbraw/zinc/97/63/48/870976348.db2.gz OHKMMNMOIVVLPK-ZDUSSCGKSA-N 0 3 303.366 1.919 20 10 DDCDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276712 871036890 /nfs/dbraw/zinc/03/68/90/871036890.db2.gz OXKXALKMKJLRRK-NVXWUHKLSA-N 0 3 321.373 1.642 20 10 DDCDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204276712 871036906 /nfs/dbraw/zinc/03/69/06/871036906.db2.gz OXKXALKMKJLRRK-NVXWUHKLSA-N 0 3 321.373 1.642 20 10 DDCDHN CC(C)c1ccc(O)c(CN2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 ZINC001308804313 871530186 /nfs/dbraw/zinc/53/01/86/871530186.db2.gz RWLOECVBAZDJLW-GDBMZVCRSA-N 0 3 304.390 1.605 20 10 DDCDHN COc1ccc(CNC(=O)NC[C@H]2CCCCN2C)c(O)c1 ZINC001341351860 871617284 /nfs/dbraw/zinc/61/72/84/871617284.db2.gz LLZJXBASADUUAL-CYBMUJFWSA-N 0 3 307.394 1.684 20 10 DDCDHN CN(c1ccnc(N)c1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001206557015 872437329 /nfs/dbraw/zinc/43/73/29/872437329.db2.gz GSXUBNQXDIUTOC-UHFFFAOYSA-N 0 3 306.391 1.255 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CSCN2)N(C)C)cc1 ZINC001343046720 872480659 /nfs/dbraw/zinc/48/06/59/872480659.db2.gz FUXKZRATKIEWHC-HUUCEWRRSA-N 0 3 322.478 1.134 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC001344822466 873134801 /nfs/dbraw/zinc/13/48/01/873134801.db2.gz QESKZDPMHUNYPE-XFJVYGCCSA-N 0 3 322.380 1.695 20 10 DDCDHN C[C@H]1[NH2+]C[C@@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001218386455 877470611 /nfs/dbraw/zinc/47/06/11/877470611.db2.gz NBANOKOKULOWLN-OTYXRUKQSA-N 0 3 309.321 1.907 20 10 DDCDHN O=C(N1CC=CC1)[C@@]12C[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001276914601 881073215 /nfs/dbraw/zinc/07/32/15/881073215.db2.gz RPJTVIXTSMRFMC-CXAGYDPISA-N 0 3 300.358 1.318 20 10 DDCDHN OC[C@H]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232203040 886156334 /nfs/dbraw/zinc/15/63/34/886156334.db2.gz MKFDSLKGNSPEPD-AWEZNQCLSA-N 0 3 310.825 1.991 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H](CO)[C@@H](O)C3)c2c1 ZINC001234525179 888052498 /nfs/dbraw/zinc/05/24/98/888052498.db2.gz BVAYWNLRVBYSBN-UGSOOPFHSA-N 0 3 317.385 1.729 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H](CO)[C@@H](O)C3)c2c1 ZINC001234525179 888052515 /nfs/dbraw/zinc/05/25/15/888052515.db2.gz BVAYWNLRVBYSBN-UGSOOPFHSA-N 0 3 317.385 1.729 20 10 DDCDHN CCN1CCN(c2ccc(O[C@H]3CO[C@H]4OCC[C@@H]34)cc2)CC1 ZINC001234658045 888172862 /nfs/dbraw/zinc/17/28/62/888172862.db2.gz RNSRTNZCFDPHDU-OKZBNKHCSA-N 0 3 318.417 1.969 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c([O-])c1C ZINC000273401708 130117539 /nfs/dbraw/zinc/11/75/39/130117539.db2.gz NFLGWWDZIWEMCI-CYBMUJFWSA-N 0 3 306.406 1.942 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1 ZINC000273542987 130135731 /nfs/dbraw/zinc/13/57/31/130135731.db2.gz YTVLLBZKBZSMJS-TZMCWYRMSA-N 0 3 323.389 1.974 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1[O-] ZINC000280888610 130823585 /nfs/dbraw/zinc/82/35/85/130823585.db2.gz OXAWDAVULJJCLO-ZYHUDNBSSA-N 0 3 315.797 1.789 20 10 DDCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)c([O-])c1 ZINC000284098315 131048910 /nfs/dbraw/zinc/04/89/10/131048910.db2.gz MRBBVRXYDWICCC-HUUCEWRRSA-N 0 3 319.449 1.999 20 10 DDCDHN Cc1ccc(O)c([C@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC000186054341 407569046 /nfs/dbraw/zinc/56/90/46/407569046.db2.gz ZQXRIGNLRQRZMZ-WFASDCNBSA-N 0 3 314.389 1.890 20 10 DDCDHN Oc1cc2c(cc1CN1CCN(C[C@@H]3CCOC3)CC1)OCO2 ZINC000093817963 407203173 /nfs/dbraw/zinc/20/31/73/407203173.db2.gz VNOIUQFVTCJRPF-ZDUSSCGKSA-N 0 3 320.389 1.275 20 10 DDCDHN C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000186169161 407596550 /nfs/dbraw/zinc/59/65/50/407596550.db2.gz BYSXMGVCYBZLTM-CMPLNLGQSA-N 0 3 316.398 1.606 20 10 DDCDHN C[C@@H](NCC(=O)N1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000186235293 407616225 /nfs/dbraw/zinc/61/62/25/407616225.db2.gz OCBVVKGBOHRJQR-CYBMUJFWSA-N 0 3 318.417 1.780 20 10 DDCDHN CC(C)C[C@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000236647343 407740638 /nfs/dbraw/zinc/74/06/38/407740638.db2.gz ROZWTIRDFGNRMT-KRWDZBQOSA-N 0 3 319.449 1.855 20 10 DDCDHN CCN1CCN(c2ccc(CNC(=O)C3(N)CC3)cc2F)CC1 ZINC000269306734 408263241 /nfs/dbraw/zinc/26/32/41/408263241.db2.gz UMZWSOWRBGRZLA-UHFFFAOYSA-N 0 3 320.412 1.075 20 10 DDCDHN CCOc1ccc(O)c(CN(C)[C@H]2CCN3CCO[C@H]2C3)c1 ZINC000295190084 409365325 /nfs/dbraw/zinc/36/53/25/409365325.db2.gz XDCIMRCGZGMGSX-RDJZCZTQSA-N 0 3 306.406 1.696 20 10 DDCDHN CCOc1ccc([O-])c(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1 ZINC000295190084 409365331 /nfs/dbraw/zinc/36/53/31/409365331.db2.gz XDCIMRCGZGMGSX-RDJZCZTQSA-N 0 3 306.406 1.696 20 10 DDCDHN CCOc1ccc([O-])c(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1 ZINC000295190084 409365338 /nfs/dbraw/zinc/36/53/38/409365338.db2.gz XDCIMRCGZGMGSX-RDJZCZTQSA-N 0 3 306.406 1.696 20 10 DDCDHN C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000284990721 409390170 /nfs/dbraw/zinc/39/01/70/409390170.db2.gz CJGZCYTUILVWCZ-JSGCOSHPSA-N 0 3 320.389 1.416 20 10 DDCDHN C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000284990721 409390173 /nfs/dbraw/zinc/39/01/73/409390173.db2.gz CJGZCYTUILVWCZ-JSGCOSHPSA-N 0 3 320.389 1.416 20 10 DDCDHN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1cc2c(cc1O)OCO2 ZINC000284990721 409390180 /nfs/dbraw/zinc/39/01/80/409390180.db2.gz CJGZCYTUILVWCZ-JSGCOSHPSA-N 0 3 320.389 1.416 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000296627427 409628166 /nfs/dbraw/zinc/62/81/66/409628166.db2.gz XFUBTVVZQQXHCE-QWHCGFSZSA-N 0 3 314.451 1.987 20 10 DDCDHN CNC(=O)CN1CCCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000367421462 418599262 /nfs/dbraw/zinc/59/92/62/418599262.db2.gz CIPFFOOMDHFCNE-UHFFFAOYSA-N 0 3 304.438 1.006 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369128444 418729131 /nfs/dbraw/zinc/72/91/31/418729131.db2.gz UNRCIWPGVOQHQK-IACUBPJLSA-N 0 3 302.374 1.654 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369128444 418729133 /nfs/dbraw/zinc/72/91/33/418729133.db2.gz UNRCIWPGVOQHQK-IACUBPJLSA-N 0 3 302.374 1.654 20 10 DDCDHN C[C@H]1CC(=O)NCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000368592612 418722878 /nfs/dbraw/zinc/72/28/78/418722878.db2.gz LWPIRJSIKKXWGE-AWEZNQCLSA-N 0 3 303.406 1.234 20 10 DDCDHN Cc1cccc(CN2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1O ZINC000378440881 418723107 /nfs/dbraw/zinc/72/31/07/418723107.db2.gz FEYDULPGQLNFOF-CQSZACIVSA-N 0 3 312.435 1.603 20 10 DDCDHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cccc(OC)c1O ZINC000372280777 418850909 /nfs/dbraw/zinc/85/09/09/418850909.db2.gz GBUBKXGEFIRWNV-KBPBESRZSA-N 0 3 323.389 1.943 20 10 DDCDHN [O-]c1ccc(F)cc1C[NH2+][C@]1(CO)COc2ccccc2C1 ZINC000529645378 307565309 /nfs/dbraw/zinc/56/53/09/307565309.db2.gz UADSYBYIVAVBOS-QGZVFWFLSA-N 0 3 303.333 1.987 20 10 DDCDHN C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccccc1[O-] ZINC000179903204 525607500 /nfs/dbraw/zinc/60/75/00/525607500.db2.gz WTWDKWBZBYMHIS-JSGCOSHPSA-N 0 3 314.389 1.972 20 10 DDCDHN COc1cccc(CN(CCO)CCOCC(F)(F)F)c1O ZINC000093320061 696600226 /nfs/dbraw/zinc/60/02/26/696600226.db2.gz DHSOQXMYYJCFEK-UHFFFAOYSA-N 0 3 323.311 1.774 20 10 DDCDHN C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cc(F)ccc1[O-] ZINC000094617141 696602454 /nfs/dbraw/zinc/60/24/54/696602454.db2.gz VZIYPDPAYNVSFP-JTQLQIEISA-N 0 3 316.398 1.606 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCc2cc(=O)n3nccc3[nH]2)c1 ZINC000182334261 697473745 /nfs/dbraw/zinc/47/37/45/697473745.db2.gz SYVAJKUYPRBGTA-SNVBAGLBSA-N 0 3 314.345 1.588 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCc2cccnc2)c1 ZINC000182346790 697473822 /nfs/dbraw/zinc/47/38/22/697473822.db2.gz JRLYBZFEWDCMJS-GFCCVEGCSA-N 0 3 315.373 1.763 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NC(=O)c2[nH]nc3c2CNCC3)c1 ZINC000188883756 697566430 /nfs/dbraw/zinc/56/64/30/697566430.db2.gz KVZPNDFZNNCUOO-SECBINFHSA-N 0 3 316.361 1.261 20 10 DDCDHN COCCNCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000237202798 697805351 /nfs/dbraw/zinc/80/53/51/697805351.db2.gz WGEKRTAZYFNYPG-UHFFFAOYSA-N 0 3 319.449 1.775 20 10 DDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cn[nH]c3)cc2)C1 ZINC000749919508 700192396 /nfs/dbraw/zinc/19/23/96/700192396.db2.gz FPQBWGAUGWLMLE-OAHLLOKOSA-N 0 3 313.405 1.401 20 10 DDCDHN CN1CC[C@](O)(C[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000705763456 699241926 /nfs/dbraw/zinc/24/19/26/699241926.db2.gz ZXTNGEGWTSFCIM-ZDUSSCGKSA-N 0 3 315.211 1.311 20 10 DDCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ncnn1C ZINC000788972380 699352062 /nfs/dbraw/zinc/35/20/62/699352062.db2.gz ZXVZCZVCBXXJQY-AWEZNQCLSA-N 0 3 314.437 1.418 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCCOC3)[C@H](O)CO2 ZINC000789543857 699394051 /nfs/dbraw/zinc/39/40/51/699394051.db2.gz CNNKMLHPOXRODV-WBVHZDCISA-N 0 3 305.374 1.821 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCCOC3)[C@H](O)CO2 ZINC000789543857 699394054 /nfs/dbraw/zinc/39/40/54/699394054.db2.gz CNNKMLHPOXRODV-WBVHZDCISA-N 0 3 305.374 1.821 20 10 DDCDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)N1CCOCC1 ZINC000731845883 699537669 /nfs/dbraw/zinc/53/76/69/699537669.db2.gz LIPNZRXCENYCOZ-UHFFFAOYSA-N 0 3 318.417 1.996 20 10 DDCDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)N1CCOCC1 ZINC000731845883 699537671 /nfs/dbraw/zinc/53/76/71/699537671.db2.gz LIPNZRXCENYCOZ-UHFFFAOYSA-N 0 3 318.417 1.996 20 10 DDCDHN COCCN1CCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000732457899 699560390 /nfs/dbraw/zinc/56/03/90/699560390.db2.gz BSOQLLVPFQEJKD-AWEZNQCLSA-N 0 3 307.394 1.302 20 10 DDCDHN COc1cc(CN2CC[C@@H](NC(=O)NC3CC3)C2)c(O)cc1C ZINC000760551829 700813814 /nfs/dbraw/zinc/81/38/14/700813814.db2.gz QAMLARLNDXBVLI-CQSZACIVSA-N 0 3 319.405 1.745 20 10 DDCDHN C[C@H](NCC(=O)N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000765416856 701010847 /nfs/dbraw/zinc/01/08/47/701010847.db2.gz MZJBWZGGTNOQGJ-AWEZNQCLSA-N 0 3 304.438 1.177 20 10 DDCDHN COc1cccc(CNCc2ccc(C(=O)N(C)C)[nH]2)c1O ZINC000809740193 701684563 /nfs/dbraw/zinc/68/45/63/701684563.db2.gz OIIVPSZWGMIWEO-UHFFFAOYSA-N 0 3 303.362 1.721 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000768234176 701164866 /nfs/dbraw/zinc/16/48/66/701164866.db2.gz VFGCOYDPKJIJAW-UHFFFAOYSA-N 0 3 304.390 1.891 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)NCCCO)CC1 ZINC000768314830 701168452 /nfs/dbraw/zinc/16/84/52/701168452.db2.gz OYIZPDQAJBCDNU-UHFFFAOYSA-N 0 3 322.405 1.111 20 10 DDCDHN CCOc1ccc(C[NH2+]CCCn2cc(CO)nn2)c([O-])c1 ZINC000810162675 701738679 /nfs/dbraw/zinc/73/86/79/701738679.db2.gz PSFIADBCNQPLLV-UHFFFAOYSA-N 0 3 306.366 1.055 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000810159550 701738698 /nfs/dbraw/zinc/73/86/98/701738698.db2.gz YPYNMGWGMSFZOR-UHFFFAOYSA-N 0 3 300.358 1.718 20 10 DDCDHN COC(=O)[C@@H]1CSCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000840976345 702299336 /nfs/dbraw/zinc/29/93/36/702299336.db2.gz DOJXVTTUMDFRPA-NSHDSACASA-N 0 3 311.403 1.739 20 10 DDCDHN COC(=O)[C@@H]1CSCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000840976345 702299340 /nfs/dbraw/zinc/29/93/40/702299340.db2.gz DOJXVTTUMDFRPA-NSHDSACASA-N 0 3 311.403 1.739 20 10 DDCDHN COc1ccc(N(C)C[C@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000841011900 702309990 /nfs/dbraw/zinc/30/99/90/702309990.db2.gz ROFAILZWFQMHPG-CYBMUJFWSA-N 0 3 321.421 1.337 20 10 DDCDHN C[C@@H](NC(=O)NCCc1ccc(N)cc1)C1=CCN(C)CC1 ZINC000841873495 702600801 /nfs/dbraw/zinc/60/08/01/702600801.db2.gz ZBGFKQSMDZZRLV-CYBMUJFWSA-N 0 3 302.422 1.761 20 10 DDCDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1C1CCOCC1 ZINC000866427176 706696621 /nfs/dbraw/zinc/69/66/21/706696621.db2.gz KLJNWKKIRHUSAT-LSDHHAIUSA-N 0 3 316.401 1.749 20 10 DDCDHN COCC[NH2+]C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000846221716 703252657 /nfs/dbraw/zinc/25/26/57/703252657.db2.gz CZSWMMKIGGAVTH-UHFFFAOYSA-N 0 3 324.396 1.934 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H]3C[C@@H]3C1)cc2=O ZINC000852634034 704088468 /nfs/dbraw/zinc/08/84/68/704088468.db2.gz FKWNEOUXLWBXSR-GHMZBOCLSA-N 0 3 316.361 1.453 20 10 DDCDHN Cc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c([O-])c1O ZINC000854643453 704432351 /nfs/dbraw/zinc/43/23/51/704432351.db2.gz YGQITTVNTIETBD-KBPBESRZSA-N 0 3 320.389 1.341 20 10 DDCDHN Cc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)c([O-])c1O ZINC000854643453 704432352 /nfs/dbraw/zinc/43/23/52/704432352.db2.gz YGQITTVNTIETBD-KBPBESRZSA-N 0 3 320.389 1.341 20 10 DDCDHN CN(C(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)c1ccc(N)cc1 ZINC000877077979 705977754 /nfs/dbraw/zinc/97/77/54/705977754.db2.gz XQYRKEDFCKQRNN-CKEIUWERSA-N 0 3 303.406 1.764 20 10 DDCDHN COC1CCN(c2ccc(CN3CC(C)(C(N)=O)C3)cc2)CC1 ZINC000829075836 706285445 /nfs/dbraw/zinc/28/54/45/706285445.db2.gz VAHDWHIWFBPTBR-UHFFFAOYSA-N 0 3 317.433 1.609 20 10 DDCDHN CC[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccccc1[O-] ZINC000886737152 708829526 /nfs/dbraw/zinc/82/95/26/708829526.db2.gz ULEXYIVDBTYLIU-CYBMUJFWSA-N 0 3 312.435 1.857 20 10 DDCDHN CC(C)[C@@H](N)c1cn(Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000900604285 709673203 /nfs/dbraw/zinc/67/32/03/709673203.db2.gz LABOQBFRVWRCRP-QGZVFWFLSA-N 0 3 315.421 1.819 20 10 DDCDHN COc1ccc(CN2CCC[C@H](OCCO)C2)c(O)c1OC ZINC000892003465 710351021 /nfs/dbraw/zinc/35/10/21/710351021.db2.gz ISGRELAMLZSYBX-ZDUSSCGKSA-N 0 3 311.378 1.383 20 10 DDCDHN COC[C@@H](O)CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894684415 711238470 /nfs/dbraw/zinc/23/84/70/711238470.db2.gz MMTMQDLSEMQIMF-NSHDSACASA-N 0 3 324.352 1.201 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895722628 711588186 /nfs/dbraw/zinc/58/81/86/711588186.db2.gz YBFNBNYFGYLTBP-ZDUSSCGKSA-N 0 3 307.390 1.764 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895722628 711588187 /nfs/dbraw/zinc/58/81/87/711588187.db2.gz YBFNBNYFGYLTBP-ZDUSSCGKSA-N 0 3 307.390 1.764 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](C3OCCO3)C1)[C@H](O)CO2 ZINC000905697298 712122243 /nfs/dbraw/zinc/12/22/43/712122243.db2.gz VNSPQHYMBKUYJK-IINYFYTJSA-N 0 3 307.346 1.013 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](C3OCCO3)C1)[C@H](O)CO2 ZINC000905697298 712122244 /nfs/dbraw/zinc/12/22/44/712122244.db2.gz VNSPQHYMBKUYJK-IINYFYTJSA-N 0 3 307.346 1.013 20 10 DDCDHN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CCN(C2CC2)C1 ZINC000924887445 714688597 /nfs/dbraw/zinc/68/85/97/714688597.db2.gz SWLPYMLMUPVZDX-CQSZACIVSA-N 0 3 315.373 1.393 20 10 DDCDHN C[C@H]1[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C ZINC000925313046 714804581 /nfs/dbraw/zinc/80/45/81/714804581.db2.gz LDYCHEQRLKXWJR-XJKSGUPXSA-N 0 3 304.438 1.987 20 10 DDCDHN CC(C)N1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032216014 748972569 /nfs/dbraw/zinc/97/25/69/748972569.db2.gz UJEZHXIMXLCGAM-UHFFFAOYSA-N 0 3 303.366 1.919 20 10 DDCDHN C[C@@H]([NH3+])[C@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000220329370 749583950 /nfs/dbraw/zinc/58/39/50/749583950.db2.gz RVNHFXVUTFTREE-NOZJJQNGSA-N 0 3 315.211 1.703 20 10 DDCDHN O=C(NCCC[NH2+]C1CCCCC1)c1cc(O)c([O-])c(O)c1 ZINC001148589842 773541686 /nfs/dbraw/zinc/54/16/86/773541686.db2.gz NKFYLFCFNLKPET-UHFFFAOYSA-N 0 3 308.378 1.846 20 10 DDCDHN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1ccc(N)cc1 ZINC001120263020 781841456 /nfs/dbraw/zinc/84/14/56/781841456.db2.gz HMBUENVMSUUBOY-OAHLLOKOSA-N 0 3 311.451 1.563 20 10 DDCDHN CN(C)c1ccc(CN2CCOC[C@@]3(CC(=O)N(C)C3)C2)cc1 ZINC001272916309 847626165 /nfs/dbraw/zinc/62/61/65/847626165.db2.gz DSOTUIGJAXDELK-GOSISDBHSA-N 0 3 317.433 1.433 20 10 DDCDHN CN1CCN(c2ccc(CN3C[C@H](CO)C[C@H](F)C3)cc2)CC1 ZINC001139408648 860390900 /nfs/dbraw/zinc/39/09/00/860390900.db2.gz OGUQRCQIDOINLR-SJORKVTESA-N 0 3 321.440 1.591 20 10 DDCDHN Cc1ccc(C)c(CN2C[C@](O)(C(F)(F)F)C[C@H]2CO)c1O ZINC001140178851 860587475 /nfs/dbraw/zinc/58/74/75/860587475.db2.gz ZZTOBVIMKBOOLC-FZMZJTMJSA-N 0 3 319.323 1.869 20 10 DDCDHN C[C@@]1(O)COCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140282715 860610766 /nfs/dbraw/zinc/61/07/66/860610766.db2.gz IDXKXXPDBWGHSY-SFHVURJKSA-N 0 3 320.433 1.231 20 10 DDCDHN CC(=O)N1CCC2(CC1)CN(Cc1cc(C)ccc1O)CCO2 ZINC001140620817 860664396 /nfs/dbraw/zinc/66/43/96/860664396.db2.gz CGWNVDZWSQYIFW-UHFFFAOYSA-N 0 3 318.417 1.914 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC(CO)CC3)cc2F)CC1 ZINC001323282964 866496303 /nfs/dbraw/zinc/49/63/03/866496303.db2.gz SPGRWISIOCCZQM-UHFFFAOYSA-N 0 3 321.440 1.782 20 10 DDCDHN O=C(Nc1cn[nH]c1)[C@H]1CC12CN(Cc1c(O)cccc1F)C2 ZINC001277483760 885179591 /nfs/dbraw/zinc/17/95/91/885179591.db2.gz ASHLUWPDJOOYCZ-GFCCVEGCSA-N 0 3 316.336 1.715 20 10 DDCDHN O=C(Nc1cn[nH]c1)[C@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2 ZINC001277483760 885179605 /nfs/dbraw/zinc/17/96/05/885179605.db2.gz ASHLUWPDJOOYCZ-GFCCVEGCSA-N 0 3 316.336 1.715 20 10 DDCDHN CN(C)C(=O)[C@H]1COCCC12CN(Cc1cc(O)ccc1O)C2 ZINC001277660252 886335289 /nfs/dbraw/zinc/33/52/89/886335289.db2.gz RPRYQXIUCLDROV-CQSZACIVSA-N 0 3 320.389 1.025 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCc3nccn3CC2)c([O-])c1 ZINC001249208197 893866801 /nfs/dbraw/zinc/86/68/01/893866801.db2.gz PLXQYHOHOPYIJO-UHFFFAOYSA-N 0 3 315.373 1.363 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCc3nccn3CC2)c([O-])c1 ZINC001249208197 893866822 /nfs/dbraw/zinc/86/68/22/893866822.db2.gz PLXQYHOHOPYIJO-UHFFFAOYSA-N 0 3 315.373 1.363 20 10 DDCDHN COC(=O)Cc1ccc(CN2CCOC[C@H]2C(C)C)c(O)c1 ZINC001249208621 893869080 /nfs/dbraw/zinc/86/90/80/893869080.db2.gz YYDNGHFFZKCWIQ-HNNXBMFYSA-N 0 3 307.390 1.965 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@H]2C(C)C)c([O-])c1 ZINC001249208621 893869107 /nfs/dbraw/zinc/86/91/07/893869107.db2.gz YYDNGHFFZKCWIQ-HNNXBMFYSA-N 0 3 307.390 1.965 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCOC[C@H]2C(C)C)c([O-])c1 ZINC001249208621 893869123 /nfs/dbraw/zinc/86/91/23/893869123.db2.gz YYDNGHFFZKCWIQ-HNNXBMFYSA-N 0 3 307.390 1.965 20 10 DDCDHN COc1ccc(CN[C@@H](CO)CC(F)(F)F)c(O)c1OC ZINC001262363697 900133357 /nfs/dbraw/zinc/13/33/57/900133357.db2.gz AXVBXQHVGBRPID-SECBINFHSA-N 0 3 309.284 1.812 20 10 DDCDHN CN(C)c1ccc(CN2CCC[C@@H](n3cc(CO)nn3)C2)cc1 ZINC000292903137 131688561 /nfs/dbraw/zinc/68/85/61/131688561.db2.gz GRYITHLSNBGQLQ-QGZVFWFLSA-N 0 3 315.421 1.674 20 10 DDCDHN Cc1ccc(O)c([C@H](C)NCCS(=O)(=O)NC(C)C)c1 ZINC000185970654 407554064 /nfs/dbraw/zinc/55/40/64/407554064.db2.gz UYVRFSDBQJZGMM-LBPRGKRZSA-N 0 3 300.424 1.679 20 10 DDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000186166540 407592321 /nfs/dbraw/zinc/59/23/21/407592321.db2.gz WMMLSGDTLHPPST-QWHCGFSZSA-N 0 3 312.435 1.633 20 10 DDCDHN CN(C)c1ccc(CNC(=O)NCC2=CCN(C)CC2)cc1 ZINC000271771286 407731006 /nfs/dbraw/zinc/73/10/06/407731006.db2.gz CSRSJQHAKVQFCZ-UHFFFAOYSA-N 0 3 302.422 1.814 20 10 DDCDHN CCO[C@H]1C[C@@](N)(C(=O)N(C)Cc2ccccc2O)C1(C)C ZINC000186723861 407756781 /nfs/dbraw/zinc/75/67/81/407756781.db2.gz OJEQVXQGTOIFTG-WMLDXEAASA-N 0 3 306.406 1.883 20 10 DDCDHN CN(C)c1ccc2c(c1)OCCN2C(=O)CNC[C@@H]1CCCO1 ZINC000237150779 407800543 /nfs/dbraw/zinc/80/05/43/407800543.db2.gz JIOONLFJFMVOPW-AWEZNQCLSA-N 0 3 319.405 1.247 20 10 DDCDHN COc1ccc(N2CCN(CCC3OCCCO3)CC2)cc1 ZINC000267922465 407854662 /nfs/dbraw/zinc/85/46/62/407854662.db2.gz JFGKJINBHNSVOL-UHFFFAOYSA-N 0 3 306.406 1.970 20 10 DDCDHN Cc1cc(O)c(CN2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1C ZINC000155021630 408117427 /nfs/dbraw/zinc/11/74/27/408117427.db2.gz BHZMUENWIQDPFR-HNNXBMFYSA-N 0 3 324.446 1.665 20 10 DDCDHN Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c([O-])c1O ZINC000182840394 408263826 /nfs/dbraw/zinc/26/38/26/408263826.db2.gz UDQDYWLDJRGDPO-JSGCOSHPSA-N 0 3 304.390 1.963 20 10 DDCDHN Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c([O-])c1O ZINC000182840394 408263831 /nfs/dbraw/zinc/26/38/31/408263831.db2.gz UDQDYWLDJRGDPO-JSGCOSHPSA-N 0 3 304.390 1.963 20 10 DDCDHN O=S(=O)(CCO)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000191846176 408500542 /nfs/dbraw/zinc/50/05/42/408500542.db2.gz PKZNJDXNTGRJFJ-UHFFFAOYSA-N 0 3 321.398 1.448 20 10 DDCDHN Oc1cc2c(cc1CN1CCN(C3CCOCC3)CC1)OCO2 ZINC000177172746 408541339 /nfs/dbraw/zinc/54/13/39/408541339.db2.gz FTVSNHBHIXMTEK-UHFFFAOYSA-N 0 3 320.389 1.418 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)c1 ZINC000185392212 408803787 /nfs/dbraw/zinc/80/37/87/408803787.db2.gz RTUHBFYTYSMSEV-ZIAGYGMSSA-N 0 3 307.438 1.687 20 10 DDCDHN COCCOCCOCCN(C)Cc1cc(OC)ccc1O ZINC000276257589 408827888 /nfs/dbraw/zinc/82/78/88/408827888.db2.gz WIOCOTJSFDEYQA-UHFFFAOYSA-N 0 3 313.394 1.512 20 10 DDCDHN COC(=O)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000276483717 408866972 /nfs/dbraw/zinc/86/69/72/408866972.db2.gz OSZMSYVWWLBJGQ-JQWIXIFHSA-N 0 3 307.346 1.752 20 10 DDCDHN COc1cc(O)c(CN(C)[C@@H](C)CN2CCOCC2)cc1OC ZINC000278581209 409085784 /nfs/dbraw/zinc/08/57/84/409085784.db2.gz BNTUSKMBRQZJRN-ZDUSSCGKSA-N 0 3 324.421 1.562 20 10 DDCDHN CCCOc1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c([O-])c1 ZINC000280296992 409287481 /nfs/dbraw/zinc/28/74/81/409287481.db2.gz NFRIGPREXJCLKF-LSDHHAIUSA-N 0 3 309.406 1.916 20 10 DDCDHN COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3cccc([O-])c31)CC2 ZINC000297025238 409763879 /nfs/dbraw/zinc/76/38/79/409763879.db2.gz UOWCWCKIOMPQTF-CHWSQXEVSA-N 0 3 314.389 1.722 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000359898174 410940293 /nfs/dbraw/zinc/94/02/93/410940293.db2.gz MGJPDVDUXZGHLX-QGZVFWFLSA-N 0 3 316.449 1.101 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1[O-] ZINC000228094948 222206181 /nfs/dbraw/zinc/20/61/81/222206181.db2.gz IVQZQINQOAGLHW-YMTOWFKASA-N 0 3 301.770 1.684 20 10 DDCDHN COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000362333491 418751830 /nfs/dbraw/zinc/75/18/30/418751830.db2.gz DBIHNKMCWGYSNB-UONOGXRCSA-N 0 3 304.390 1.891 20 10 DDCDHN COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000362333491 418751834 /nfs/dbraw/zinc/75/18/34/418751834.db2.gz DBIHNKMCWGYSNB-UONOGXRCSA-N 0 3 304.390 1.891 20 10 DDCDHN CCOc1cccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O ZINC000368964363 418726399 /nfs/dbraw/zinc/72/63/99/418726399.db2.gz OHEHWCWLRIANHP-WHOFXGATSA-N 0 3 304.390 1.877 20 10 DDCDHN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(OC)ccc1O ZINC000372280634 418850752 /nfs/dbraw/zinc/85/07/52/418850752.db2.gz FMOLOLLQUKKFKH-HIFRSBDPSA-N 0 3 323.389 1.943 20 10 DDCDHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(OC)ccc1[O-] ZINC000372280634 418850753 /nfs/dbraw/zinc/85/07/53/418850753.db2.gz FMOLOLLQUKKFKH-HIFRSBDPSA-N 0 3 323.389 1.943 20 10 DDCDHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(OC)ccc1[O-] ZINC000372280634 418850756 /nfs/dbraw/zinc/85/07/56/418850756.db2.gz FMOLOLLQUKKFKH-HIFRSBDPSA-N 0 3 323.389 1.943 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](N)C(C)(C)C ZINC000237221114 276863395 /nfs/dbraw/zinc/86/33/95/276863395.db2.gz LSNZSIKLSVAHHV-MRXNPFEDSA-N 0 3 319.449 1.855 20 10 DDCDHN CCN(CCC[NH2+]Cc1cccc(C)c1[O-])S(C)(=O)=O ZINC000158117458 521022644 /nfs/dbraw/zinc/02/26/44/521022644.db2.gz TYKUHJGAOFESCD-UHFFFAOYSA-N 0 3 300.424 1.462 20 10 DDCDHN CCN(C)C(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000181264084 520176982 /nfs/dbraw/zinc/17/69/82/520176982.db2.gz ULJVSEFALNZEPE-CQSZACIVSA-N 0 3 305.422 1.652 20 10 DDCDHN CN(C)[C@]1(CNC(=O)N(C)Cc2ccccc2O)CCSC1 ZINC000267149586 522109757 /nfs/dbraw/zinc/10/97/57/522109757.db2.gz HBESVZFURGTEGT-INIZCTEOSA-N 0 3 323.462 1.971 20 10 DDCDHN COCCN(CCN(C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180755764 523699295 /nfs/dbraw/zinc/69/92/95/523699295.db2.gz DHIKUXSHJGBPPP-FNORWQNLSA-N 0 3 308.378 1.148 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CN(C3CC3)CCO1)OCO2 ZINC000369085242 526336582 /nfs/dbraw/zinc/33/65/82/526336582.db2.gz QZYFXAUGDOURLF-ZDUSSCGKSA-N 0 3 306.362 1.074 20 10 DDCDHN C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000799348106 700138036 /nfs/dbraw/zinc/13/80/36/700138036.db2.gz YNJMSZFJLHQEQJ-BLLLJJGKSA-N 0 3 321.396 1.277 20 10 DDCDHN CCOC(=O)CN(CC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775664558 698021189 /nfs/dbraw/zinc/02/11/89/698021189.db2.gz YBWDAQPKWCOOPK-UHFFFAOYSA-N 0 3 319.449 1.823 20 10 DDCDHN C[C@@H]1CO[C@H](CO)CN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775742631 698028083 /nfs/dbraw/zinc/02/80/83/698028083.db2.gz VTYQHIXOAIOFSL-QAPCUYQASA-N 0 3 319.449 1.020 20 10 DDCDHN COCCN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCOC1 ZINC000787334904 699206860 /nfs/dbraw/zinc/20/68/60/699206860.db2.gz NCUPDLRCBDKSSN-SFHVURJKSA-N 0 3 320.433 1.761 20 10 DDCDHN Cc1cc(Cl)cc(C[NH2+]CCC2CS(=O)(=O)C2)c1[O-] ZINC000787417185 699210960 /nfs/dbraw/zinc/21/09/60/699210960.db2.gz LEJGVMGIBUQQBT-UHFFFAOYSA-N 0 3 303.811 1.878 20 10 DDCDHN CCOCCOC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000792195051 699682308 /nfs/dbraw/zinc/68/23/08/699682308.db2.gz DAFWUNRKRXSGIP-AWEZNQCLSA-N 0 3 317.813 1.858 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](C3OCCO3)C1)[C@H](O)CO2 ZINC000768445321 701177650 /nfs/dbraw/zinc/17/76/50/701177650.db2.gz HIOKIMZEHXUDTG-IAQYHMDHSA-N 0 3 321.373 1.403 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](C3OCCO3)C1)[C@H](O)CO2 ZINC000768445321 701177651 /nfs/dbraw/zinc/17/76/51/701177651.db2.gz HIOKIMZEHXUDTG-IAQYHMDHSA-N 0 3 321.373 1.403 20 10 DDCDHN COC(=O)C[C@]1(NCc2ccc3c(c2)CCO3)CCCOC1 ZINC000770677661 701289598 /nfs/dbraw/zinc/28/95/98/701289598.db2.gz KOUTXCHCBSRODH-QGZVFWFLSA-N 0 3 305.374 1.823 20 10 DDCDHN COc1ccc2c(c1)CCN2C[C@H]1CCCN(C(=O)CN)C1 ZINC000841003132 702306187 /nfs/dbraw/zinc/30/61/87/702306187.db2.gz OFOIUENWRZLWJA-CYBMUJFWSA-N 0 3 303.406 1.255 20 10 DDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H](C)CN1 ZINC000841758796 702557603 /nfs/dbraw/zinc/55/76/03/702557603.db2.gz DDQGRMHBFFYUFL-VXGBXAGGSA-N 0 3 308.401 1.784 20 10 DDCDHN COCCCCN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000842172444 702679475 /nfs/dbraw/zinc/67/94/75/702679475.db2.gz YWXXKLSRBVMFNK-UHFFFAOYSA-N 0 3 307.438 1.727 20 10 DDCDHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1ccc(N(C)C)cc1 ZINC000843429076 702879888 /nfs/dbraw/zinc/87/98/88/702879888.db2.gz RFRLZVLWGWWSLL-CQSZACIVSA-N 0 3 304.438 1.304 20 10 DDCDHN CC[C@@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000843488101 702891640 /nfs/dbraw/zinc/89/16/40/702891640.db2.gz QVUJCHWMRAPZNU-IAGOWNOFSA-N 0 3 319.449 1.998 20 10 DDCDHN CC[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(C)cc1[O-] ZINC000866522250 706721093 /nfs/dbraw/zinc/72/10/93/706721093.db2.gz UITBGBNVCGCDEO-WMLDXEAASA-N 0 3 320.389 1.963 20 10 DDCDHN CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649823 706749741 /nfs/dbraw/zinc/74/97/41/706749741.db2.gz VWFAPDILYQYYPH-NEPJUHHUSA-N 0 3 307.394 1.913 20 10 DDCDHN CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000852653679 704093382 /nfs/dbraw/zinc/09/33/82/704093382.db2.gz YMOFLTDBZPAGBO-INIZCTEOSA-N 0 3 304.438 1.940 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)N(C)CCN(C)C)C2)cc1 ZINC000854299671 704376482 /nfs/dbraw/zinc/37/64/82/704376482.db2.gz JZMLBMPVYVSZCD-AWEZNQCLSA-N 0 3 320.437 1.477 20 10 DDCDHN CNS(=O)(=O)CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000856726247 704535486 /nfs/dbraw/zinc/53/54/86/704535486.db2.gz ZOURKXWKJVBRHQ-UHFFFAOYSA-N 0 3 312.435 1.686 20 10 DDCDHN CNS(=O)(=O)CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000856726247 704535487 /nfs/dbraw/zinc/53/54/87/704535487.db2.gz ZOURKXWKJVBRHQ-UHFFFAOYSA-N 0 3 312.435 1.686 20 10 DDCDHN CN(C)c1cc(F)c(CN[C@H](CO)[C@H]2CCCOC2)cc1F ZINC000858177396 704674157 /nfs/dbraw/zinc/67/41/57/704674157.db2.gz DCAGCYDXYWRHLQ-XHDPSFHLSA-N 0 3 314.376 1.908 20 10 DDCDHN CCN(CC)c1ccc(CNc2nc(N)nc(N)n2)cc1F ZINC000858404219 704706387 /nfs/dbraw/zinc/70/63/87/704706387.db2.gz OZUKOJORVGFUKE-UHFFFAOYSA-N 0 3 305.361 1.633 20 10 DDCDHN COC[C@@]1(CO)CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000825158372 705611441 /nfs/dbraw/zinc/61/14/41/705611441.db2.gz JOXFMWNUNHMAIV-HNNXBMFYSA-N 0 3 315.797 1.885 20 10 DDCDHN COC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000825158372 705611442 /nfs/dbraw/zinc/61/14/42/705611442.db2.gz JOXFMWNUNHMAIV-HNNXBMFYSA-N 0 3 315.797 1.885 20 10 DDCDHN COC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000825158372 705611445 /nfs/dbraw/zinc/61/14/45/705611445.db2.gz JOXFMWNUNHMAIV-HNNXBMFYSA-N 0 3 315.797 1.885 20 10 DDCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000876542070 705751854 /nfs/dbraw/zinc/75/18/54/705751854.db2.gz LCPUHRYJEMEFBM-UHFFFAOYSA-N 0 3 318.417 1.771 20 10 DDCDHN COC[C@]1(C(=O)NCc2ccc(N(C)C)cc2)CCCCN1 ZINC000876712483 705833449 /nfs/dbraw/zinc/83/34/49/705833449.db2.gz HSPBIYYSFAGCNU-KRWDZBQOSA-N 0 3 305.422 1.528 20 10 DDCDHN COC[C@]1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCCCN1 ZINC000876741797 705852090 /nfs/dbraw/zinc/85/20/90/705852090.db2.gz SSKGXJOPIPHUPP-KRWDZBQOSA-N 0 3 323.412 1.667 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c([O-])c1 ZINC000877651888 706170602 /nfs/dbraw/zinc/17/06/02/706170602.db2.gz NBAGESSZFMHNDW-SFHVURJKSA-N 0 3 320.433 1.406 20 10 DDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000877679258 706178104 /nfs/dbraw/zinc/17/81/04/706178104.db2.gz MGKWLISCGMQXPB-STQMWFEESA-N 0 3 321.421 1.217 20 10 DDCDHN Cn1nnnc1CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000878241351 706335732 /nfs/dbraw/zinc/33/57/32/706335732.db2.gz SSIHUJWQNSDXAG-CQSZACIVSA-N 0 3 317.393 1.139 20 10 DDCDHN Cn1nnnc1CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000878241351 706335734 /nfs/dbraw/zinc/33/57/34/706335734.db2.gz SSIHUJWQNSDXAG-CQSZACIVSA-N 0 3 317.393 1.139 20 10 DDCDHN COCC(COC)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000834893126 707146617 /nfs/dbraw/zinc/14/66/17/707146617.db2.gz TVLYHFFOSVBWIC-CQSZACIVSA-N 0 3 308.422 1.835 20 10 DDCDHN CC[S@](=O)CCNCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873048934 707709117 /nfs/dbraw/zinc/70/91/17/707709117.db2.gz RYUUMPWWRLYRIY-QFIPXVFZSA-N 0 3 321.446 1.798 20 10 DDCDHN CCn1cc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1 ZINC000898447242 708642773 /nfs/dbraw/zinc/64/27/73/708642773.db2.gz HZQJHZHLVWNEJY-QGZVFWFLSA-N 0 3 316.453 1.757 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)N(C)CCCO)N(C)C)cc1 ZINC000899102023 708983379 /nfs/dbraw/zinc/98/33/79/708983379.db2.gz JTVWCADATQLOCQ-INIZCTEOSA-N 0 3 322.453 1.379 20 10 DDCDHN C[C@H](O)CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899104940 708984857 /nfs/dbraw/zinc/98/48/57/708984857.db2.gz SWWDSYDHZQXXOR-BBRMVZONSA-N 0 3 322.453 1.378 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)N(C)C)cc1 ZINC000891245597 710140129 /nfs/dbraw/zinc/14/01/29/710140129.db2.gz HIZPLOUQYQMCMN-TWMKSMIVSA-N 0 3 317.433 1.364 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccnn2C)N(C)C)cc1 ZINC000891256306 710143756 /nfs/dbraw/zinc/14/37/56/710143756.db2.gz XGYWNGRONSMWGI-INIZCTEOSA-N 0 3 315.421 1.519 20 10 DDCDHN COc1ccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(O)c1OC ZINC000893942392 710894809 /nfs/dbraw/zinc/89/48/09/710894809.db2.gz GISHWBDUQJJLHB-ZKYQVNSYSA-N 0 3 320.389 1.495 20 10 DDCDHN COCC[C@@H]1C[NH2+]CCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000903831691 711295102 /nfs/dbraw/zinc/29/51/02/711295102.db2.gz WGGKSRVDNOOCLG-CQSZACIVSA-N 0 3 310.369 1.544 20 10 DDCDHN COc1cc(Cl)cc(CN2C[C@H](O)C[C@]2(C)CO)c1O ZINC000895329908 711486175 /nfs/dbraw/zinc/48/61/75/711486175.db2.gz KWDFRHIDAZHZNL-BXUZGUMPSA-N 0 3 301.770 1.372 20 10 DDCDHN O=C(NCc1c(O)cccc1F)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000916841233 713468846 /nfs/dbraw/zinc/46/88/46/713468846.db2.gz CHIZWJMKSRJYEA-VXGBXAGGSA-N 0 3 323.368 1.194 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000916841233 713468847 /nfs/dbraw/zinc/46/88/47/713468847.db2.gz CHIZWJMKSRJYEA-VXGBXAGGSA-N 0 3 323.368 1.194 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000916841233 713468849 /nfs/dbraw/zinc/46/88/49/713468849.db2.gz CHIZWJMKSRJYEA-VXGBXAGGSA-N 0 3 323.368 1.194 20 10 DDCDHN CN(C)c1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000920277608 713659366 /nfs/dbraw/zinc/65/93/66/713659366.db2.gz HCLLNNUIZMRGGL-AWEZNQCLSA-N 0 3 302.422 1.789 20 10 DDCDHN CC1(C)CNC(=O)[C@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000924706324 714646191 /nfs/dbraw/zinc/64/61/91/714646191.db2.gz GMJJLYHEAJBQEZ-OAHLLOKOSA-N 0 3 319.474 1.854 20 10 DDCDHN CCN1CC[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000925322906 714809442 /nfs/dbraw/zinc/80/94/42/714809442.db2.gz QIDIOBYRWOEFEJ-CYBMUJFWSA-N 0 3 303.362 1.251 20 10 DDCDHN COC(=O)N(C)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000689532933 774672017 /nfs/dbraw/zinc/67/20/17/774672017.db2.gz VYFXWPCQSWWOPS-UHFFFAOYSA-N 0 3 302.758 1.842 20 10 DDCDHN CN1CCN(c2ccc(CN3CCCOCC3)cc2F)CC1 ZINC001116440069 780508880 /nfs/dbraw/zinc/50/88/80/780508880.db2.gz JQYNRWQWVFMVIY-UHFFFAOYSA-N 0 3 307.413 1.800 20 10 DDCDHN Cn1cncc1CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001118924389 781273782 /nfs/dbraw/zinc/27/37/82/781273782.db2.gz POYJVMZFAVIYSG-UHFFFAOYSA-N 0 3 317.412 1.601 20 10 DDCDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc(N(C)C)cc1C ZINC001328400179 862951834 /nfs/dbraw/zinc/95/18/34/862951834.db2.gz DNOZFAOKXKFJRW-MRXNPFEDSA-N 0 3 305.422 1.398 20 10 DDCDHN CN(C)C[C@H]1CN(Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138354572 860072034 /nfs/dbraw/zinc/07/20/34/860072034.db2.gz NTVSYQHBGIHYJG-KRWDZBQOSA-N 0 3 303.450 1.831 20 10 DDCDHN CN(C)C1(C)CN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140286034 860612678 /nfs/dbraw/zinc/61/26/78/860612678.db2.gz XGBZSILFWWVHRH-UHFFFAOYSA-N 0 3 303.450 1.784 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccc(C)cc3[O-])CC[C@H]21 ZINC001140952073 860745899 /nfs/dbraw/zinc/74/58/99/860745899.db2.gz DDVNJNMFYFNVNB-AEFFLSMTSA-N 0 3 318.417 1.912 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccc(C)cc3[O-])CC[C@H]21 ZINC001140952073 860745900 /nfs/dbraw/zinc/74/59/00/860745900.db2.gz DDVNJNMFYFNVNB-AEFFLSMTSA-N 0 3 318.417 1.912 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC(F)(F)[C@H](N)C3)cc2)CC1 ZINC001206668834 865172522 /nfs/dbraw/zinc/17/25/22/865172522.db2.gz VTIJWKJYMQBWAU-MRXNPFEDSA-N 0 3 324.419 1.607 20 10 DDCDHN CN1CCN(c2ccc(CN3C[C@H](O)C4(CC4)C3)cc2F)CC1 ZINC001320486870 866773739 /nfs/dbraw/zinc/77/37/39/866773739.db2.gz OTGBAUZTRMNHQR-KRWDZBQOSA-N 0 3 319.424 1.534 20 10 DDCDHN CN(C)CC(=O)N[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203937437 870843737 /nfs/dbraw/zinc/84/37/37/870843737.db2.gz QRSGSSRYSKZWIA-MRXNPFEDSA-N 0 3 318.465 1.395 20 10 DDCDHN COc1cc([O-])c(CN2CC(C)([NH3+])C2)c(Br)c1 ZINC001204993374 871315069 /nfs/dbraw/zinc/31/50/69/871315069.db2.gz HBWNXJBCCILEHS-UHFFFAOYSA-N 0 3 301.184 1.696 20 10 DDCDHN C[C@H](NCc1ccc(S(N)(=O)=O)s1)c1ccccc1O ZINC001308506156 871503607 /nfs/dbraw/zinc/50/36/07/871503607.db2.gz NKSIYBXPCAVRDR-VIFPVBQESA-N 0 3 312.416 1.952 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CC[C@@]2(O)CCOC2)c1[O-] ZINC000404176815 876997707 /nfs/dbraw/zinc/99/77/07/876997707.db2.gz HYCSZCVRRWNSSK-CQSZACIVSA-N 0 3 301.770 1.685 20 10 DDCDHN [O-]c1c(Cl)cccc1CN1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222684847 880651256 /nfs/dbraw/zinc/65/12/56/880651256.db2.gz LPNYBCIUZVENDO-INIZCTEOSA-N 0 3 309.841 1.963 20 10 DDCDHN [O-]c1c(Cl)cccc1CN1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001222684847 880651262 /nfs/dbraw/zinc/65/12/62/880651262.db2.gz LPNYBCIUZVENDO-INIZCTEOSA-N 0 3 309.841 1.963 20 10 DDCDHN [O-]c1ccc(F)c(F)c1CN1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222684643 880651800 /nfs/dbraw/zinc/65/18/00/880651800.db2.gz KFCRXIOAHVRFMT-MRXNPFEDSA-N 0 3 311.376 1.588 20 10 DDCDHN COc1cc(CN2CCN(C3CCOCC3)CC2)c(O)cc1O ZINC001231635013 885773108 /nfs/dbraw/zinc/77/31/08/885773108.db2.gz CTLMXCZMVXFRHJ-UHFFFAOYSA-N 0 3 322.405 1.403 20 10 DDCDHN COc1cc(CN2CCN(CCC(C)(C)O)CC2)c(O)cc1O ZINC001231639571 885777943 /nfs/dbraw/zinc/77/79/43/885777943.db2.gz USJBFPCWKVNSMU-UHFFFAOYSA-N 0 3 324.421 1.385 20 10 DDCDHN CCN1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3[O-])C[C@@H]2C1 ZINC001233077667 886774480 /nfs/dbraw/zinc/77/44/80/886774480.db2.gz SHFZLOICIQCVQU-GXTWGEPZSA-N 0 3 312.360 1.823 20 10 DDCDHN CCN1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@@H]2C1 ZINC001233077667 886774491 /nfs/dbraw/zinc/77/44/91/886774491.db2.gz SHFZLOICIQCVQU-GXTWGEPZSA-N 0 3 312.360 1.823 20 10 DDCDHN C[C@]1(O)COCCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727668 887254337 /nfs/dbraw/zinc/25/43/37/887254337.db2.gz NZRGLXDCSNYSIF-CYBMUJFWSA-N 0 3 321.295 1.874 20 10 DDCDHN COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001236199386 889138096 /nfs/dbraw/zinc/13/80/96/889138096.db2.gz FDCUDMXYRLARAP-KOLCDFICSA-N 0 3 314.769 1.129 20 10 DDCDHN CN(C)C1CN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236930004 889427603 /nfs/dbraw/zinc/42/76/03/889427603.db2.gz UURZGRMVADZHRN-UHFFFAOYSA-N 0 3 309.841 1.922 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c([O-])c1 ZINC001249208482 893865269 /nfs/dbraw/zinc/86/52/69/893865269.db2.gz URLONPVAIQEWBW-ULAZLLGUSA-N 0 3 317.385 1.717 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c([O-])c1 ZINC001249208482 893865289 /nfs/dbraw/zinc/86/52/89/893865289.db2.gz URLONPVAIQEWBW-ULAZLLGUSA-N 0 3 317.385 1.717 20 10 DDCDHN C[C@H](NCCOCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000090102689 185282274 /nfs/dbraw/zinc/28/22/74/185282274.db2.gz NIHCWHMQNNXABD-ZDUSSCGKSA-N 0 3 314.451 1.464 20 10 DDCDHN CCN1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278880512 285382180 /nfs/dbraw/zinc/38/21/80/285382180.db2.gz OCGCKQZOWJYHOG-LLVKDONJSA-N 0 3 309.366 1.740 20 10 DDCDHN CC[N@@H+]1CC[C@H](CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278880512 285382181 /nfs/dbraw/zinc/38/21/81/285382181.db2.gz OCGCKQZOWJYHOG-LLVKDONJSA-N 0 3 309.366 1.740 20 10 DDCDHN CC[N@H+]1CC[C@H](CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278880512 285382182 /nfs/dbraw/zinc/38/21/82/285382182.db2.gz OCGCKQZOWJYHOG-LLVKDONJSA-N 0 3 309.366 1.740 20 10 DDCDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272284756 130015946 /nfs/dbraw/zinc/01/59/46/130015946.db2.gz NHQPUZYHKCPMDN-STQMWFEESA-N 0 3 324.396 1.894 20 10 DDCDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272284756 130015948 /nfs/dbraw/zinc/01/59/48/130015948.db2.gz NHQPUZYHKCPMDN-STQMWFEESA-N 0 3 324.396 1.894 20 10 DDCDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)[C@@H]2C1 ZINC000272687242 130053875 /nfs/dbraw/zinc/05/38/75/130053875.db2.gz SZECGQBPTZBDIL-SVDKCWMDSA-N 0 3 302.374 1.664 20 10 DDCDHN Cc1cccc(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1O ZINC000289311514 131372367 /nfs/dbraw/zinc/37/23/67/131372367.db2.gz DSIJVHGRVPTIEW-AWEZNQCLSA-N 0 3 312.435 1.556 20 10 DDCDHN CC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1[O-])C(=O)N1CCOCC1 ZINC000185664858 407473917 /nfs/dbraw/zinc/47/39/17/407473917.db2.gz KKELVDGGAZTTCH-UKRRQHHQSA-N 0 3 306.406 1.989 20 10 DDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000186166504 407593637 /nfs/dbraw/zinc/59/36/37/407593637.db2.gz WMMLSGDTLHPPST-STQMWFEESA-N 0 3 312.435 1.633 20 10 DDCDHN CCCN(Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)C1CC1 ZINC000171679727 407739559 /nfs/dbraw/zinc/73/95/59/407739559.db2.gz KPBDORCMHZMNTH-UHFFFAOYSA-N 0 3 318.377 1.986 20 10 DDCDHN COCCN(C)CCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273297520 408143614 /nfs/dbraw/zinc/14/36/14/408143614.db2.gz ALZTVDCAJPDARN-ZDUSSCGKSA-N 0 3 324.421 1.798 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000277460811 408944844 /nfs/dbraw/zinc/94/48/44/408944844.db2.gz ILIQLXKBZNUHRR-UHFFFAOYSA-N 0 3 306.406 1.745 20 10 DDCDHN COc1cccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1[O-] ZINC000278772414 409088285 /nfs/dbraw/zinc/08/82/85/409088285.db2.gz UUGIFINWGTZDJS-GJZGRUSLSA-N 0 3 317.389 1.342 20 10 DDCDHN COc1cccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1[O-] ZINC000278772414 409088286 /nfs/dbraw/zinc/08/82/86/409088286.db2.gz UUGIFINWGTZDJS-GJZGRUSLSA-N 0 3 317.389 1.342 20 10 DDCDHN COC[C@@H](NCc1cc(OC)c(OC)cc1O)[C@@H]1CCCO1 ZINC000279510971 409228168 /nfs/dbraw/zinc/22/81/68/409228168.db2.gz XFZWIXOOZYRODO-OCCSQVGLSA-N 0 3 311.378 1.693 20 10 DDCDHN COC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@@H]1CCCO1 ZINC000279510971 409228170 /nfs/dbraw/zinc/22/81/70/409228170.db2.gz XFZWIXOOZYRODO-OCCSQVGLSA-N 0 3 311.378 1.693 20 10 DDCDHN C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2ccccc2[O-])NC(=O)NC1=O ZINC000289719105 409284942 /nfs/dbraw/zinc/28/49/42/409284942.db2.gz PGERJSAZKJNPJI-WBMJQRKESA-N 0 3 303.362 1.345 20 10 DDCDHN C[C@@]1(C[C@H]2CCC[N@H+]2Cc2ccccc2[O-])NC(=O)NC1=O ZINC000289719105 409284944 /nfs/dbraw/zinc/28/49/44/409284944.db2.gz PGERJSAZKJNPJI-WBMJQRKESA-N 0 3 303.362 1.345 20 10 DDCDHN Cc1cc(CN(C)[C@H]2CCN3CCO[C@H]2C3)ccc1N(C)C ZINC000295510522 409323241 /nfs/dbraw/zinc/32/32/41/409323241.db2.gz UBFUXOANAZAMRW-ROUUACIJSA-N 0 3 303.450 1.966 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCN1C ZINC000299615366 410602505 /nfs/dbraw/zinc/60/25/05/410602505.db2.gz ZNZNVQBBZAQEGH-QGZVFWFLSA-N 0 3 317.433 1.576 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1OC ZINC000366924637 418538542 /nfs/dbraw/zinc/53/85/42/418538542.db2.gz IUQLJFNHHISRPT-SJKOYZFVSA-N 0 3 320.389 1.556 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c1 ZINC000375518627 418653623 /nfs/dbraw/zinc/65/36/23/418653623.db2.gz JRBMGNKJHFDFIH-CABCVRRESA-N 0 3 314.389 1.135 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c1 ZINC000375518627 418653627 /nfs/dbraw/zinc/65/36/27/418653627.db2.gz JRBMGNKJHFDFIH-CABCVRRESA-N 0 3 314.389 1.135 20 10 DDCDHN COc1ccc(N(C)C(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)cn1 ZINC000662897223 484528629 /nfs/dbraw/zinc/52/86/29/484528629.db2.gz ICAFRBYWBVJBCJ-JTQLQIEISA-N 0 3 301.350 1.167 20 10 DDCDHN COCCOC[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000266462488 524026451 /nfs/dbraw/zinc/02/64/51/524026451.db2.gz QUHIQBFADDOIMY-LBPRGKRZSA-N 0 3 309.362 1.606 20 10 DDCDHN COCCOC[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000266462488 524026456 /nfs/dbraw/zinc/02/64/56/524026456.db2.gz QUHIQBFADDOIMY-LBPRGKRZSA-N 0 3 309.362 1.606 20 10 DDCDHN C[C@H](Cn1cncn1)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000164114328 524803313 /nfs/dbraw/zinc/80/33/13/524803313.db2.gz LYMNADXSXSJIFE-CABCVRRESA-N 0 3 315.421 1.854 20 10 DDCDHN COc1cccc(CN2CCC(NC(=O)C3CC3)CC2)c1O ZINC000179915107 525932612 /nfs/dbraw/zinc/93/26/12/525932612.db2.gz KYKIZUBPFLJAQG-UHFFFAOYSA-N 0 3 304.390 1.891 20 10 DDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[O-])[C@H]1OC ZINC000274897590 535411048 /nfs/dbraw/zinc/41/10/48/535411048.db2.gz GHYMQYHMUQJABQ-HFBAOOFYSA-N 0 3 311.378 1.691 20 10 DDCDHN CCO[C@@H]1C[C@@H](NCc2cc(OC)c(OC)cc2O)[C@H]1OC ZINC000274897590 535411052 /nfs/dbraw/zinc/41/10/52/535411052.db2.gz GHYMQYHMUQJABQ-HFBAOOFYSA-N 0 3 311.378 1.691 20 10 DDCDHN CCOc1ccc(O)c(CN2CC[C@@H](NC(=O)NC3CC3)C2)c1 ZINC000273721413 535752442 /nfs/dbraw/zinc/75/24/42/535752442.db2.gz ILGJTTQVLMIHAN-CQSZACIVSA-N 0 3 319.405 1.827 20 10 DDCDHN CCOc1ccc(O)c(CN2CC[C@H](NC(=O)NC3CC3)C2)c1 ZINC000273721411 535752597 /nfs/dbraw/zinc/75/25/97/535752597.db2.gz ILGJTTQVLMIHAN-AWEZNQCLSA-N 0 3 319.405 1.827 20 10 DDCDHN CCNS(=O)(=O)[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000092304554 696593802 /nfs/dbraw/zinc/59/38/02/696593802.db2.gz IHXDDENPEGCBGG-HNNXBMFYSA-N 0 3 324.446 1.395 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)c([O-])c1 ZINC000772600707 697651798 /nfs/dbraw/zinc/65/17/98/697651798.db2.gz XHDLANINZPLCBI-UHFFFAOYSA-N 0 3 319.405 1.781 20 10 DDCDHN C[C@@H](NCC(=O)N(C)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775258373 697977108 /nfs/dbraw/zinc/97/71/08/697977108.db2.gz YVJBKCMWRSOPOF-CQSZACIVSA-N 0 3 317.433 1.795 20 10 DDCDHN COc1cc(Br)cc(C[NH2+][C@H](C)CC(N)=O)c1[O-] ZINC000776251422 698087596 /nfs/dbraw/zinc/08/75/96/698087596.db2.gz WWPBSCSMDGIZLE-SSDOTTSWSA-N 0 3 317.183 1.517 20 10 DDCDHN CNC(=O)CCOC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000779033054 698392171 /nfs/dbraw/zinc/39/21/71/698392171.db2.gz NNUJOAOOEVVSHE-UHFFFAOYSA-N 0 3 310.369 1.648 20 10 DDCDHN COc1cccc(O)c1CN(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000789764504 699407406 /nfs/dbraw/zinc/40/74/06/699407406.db2.gz HQBXSALXBOLKTF-OKILXGFUSA-N 0 3 308.422 1.942 20 10 DDCDHN C[C@@H](O)C[NH+]1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792167152 699679663 /nfs/dbraw/zinc/67/96/63/699679663.db2.gz BSPJXFTVWAECBO-SNVBAGLBSA-N 0 3 302.777 1.683 20 10 DDCDHN CCn1ncnc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000793346909 699751810 /nfs/dbraw/zinc/75/18/10/699751810.db2.gz UKVRXBMHHSRFSO-UHFFFAOYSA-N 0 3 314.437 1.340 20 10 DDCDHN COC[C@](C)(CC(=O)OC)NCc1ccc(N(C)C)c(F)c1 ZINC000757922464 700676359 /nfs/dbraw/zinc/67/63/59/700676359.db2.gz BOVMATGKSMGSDU-INIZCTEOSA-N 0 3 312.385 1.950 20 10 DDCDHN COc1cc(Br)cc(C[N@H+](C)[C@H](C)CO)c1[O-] ZINC000809746180 701685615 /nfs/dbraw/zinc/68/56/15/701685615.db2.gz SFKFWILVYRLSOZ-MRVPVSSYSA-N 0 3 304.184 1.976 20 10 DDCDHN COc1cc(Br)cc(C[N@@H+](C)[C@H](C)CO)c1[O-] ZINC000809746180 701685618 /nfs/dbraw/zinc/68/56/18/701685618.db2.gz SFKFWILVYRLSOZ-MRVPVSSYSA-N 0 3 304.184 1.976 20 10 DDCDHN CC(=O)NCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768441717 701176911 /nfs/dbraw/zinc/17/69/11/701176911.db2.gz GSDHXXZBXOJSEH-INIZCTEOSA-N 0 3 320.389 1.166 20 10 DDCDHN COc1cccc(O)c1CN1CCC[C@@H](N2CCCC2=O)C1 ZINC000769378994 701242848 /nfs/dbraw/zinc/24/28/48/701242848.db2.gz GPKFOGFVRSZFFJ-CYBMUJFWSA-N 0 3 304.390 1.988 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000769378994 701242849 /nfs/dbraw/zinc/24/28/49/701242849.db2.gz GPKFOGFVRSZFFJ-CYBMUJFWSA-N 0 3 304.390 1.988 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000769378994 701242850 /nfs/dbraw/zinc/24/28/50/701242850.db2.gz GPKFOGFVRSZFFJ-CYBMUJFWSA-N 0 3 304.390 1.988 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c([O-])c1 ZINC000769492482 701247325 /nfs/dbraw/zinc/24/73/25/701247325.db2.gz KXUSDHQADKMAOZ-HNNXBMFYSA-N 0 3 320.433 1.945 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c([O-])c1 ZINC000769492482 701247326 /nfs/dbraw/zinc/24/73/26/701247326.db2.gz KXUSDHQADKMAOZ-HNNXBMFYSA-N 0 3 320.433 1.945 20 10 DDCDHN CCOc1ccc(C[N@H+](CCO)C2CCN(C)CC2)c([O-])c1 ZINC000771937465 701337644 /nfs/dbraw/zinc/33/76/44/701337644.db2.gz DDCKXXIYBQXMGA-UHFFFAOYSA-N 0 3 308.422 1.679 20 10 DDCDHN CCOc1ccc(C[N@@H+](CCO)C2CCN(C)CC2)c([O-])c1 ZINC000771937465 701337645 /nfs/dbraw/zinc/33/76/45/701337645.db2.gz DDCKXXIYBQXMGA-UHFFFAOYSA-N 0 3 308.422 1.679 20 10 DDCDHN CCN(CC)c1ccc(CN(C)CCN2CCNC2=O)cc1 ZINC000808706599 701532417 /nfs/dbraw/zinc/53/24/17/701532417.db2.gz OHHUATGQHRUCRV-UHFFFAOYSA-N 0 3 304.438 1.990 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2ccnn2)c2c1c(F)ccc2[O-] ZINC000840804727 702244426 /nfs/dbraw/zinc/24/44/26/702244426.db2.gz HNAHDLBJOVXHKH-JFGNBEQYSA-N 0 3 306.341 1.322 20 10 DDCDHN C[C@H](O)[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000840975905 702299378 /nfs/dbraw/zinc/29/93/78/702299378.db2.gz AKAISRHVNGSGDL-MAUKXSAKSA-N 0 3 319.449 1.020 20 10 DDCDHN Nc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000841032936 702316964 /nfs/dbraw/zinc/31/69/64/702316964.db2.gz KFSIJASUMMAWEF-OAHLLOKOSA-N 0 3 316.405 1.294 20 10 DDCDHN CCOc1ccc(O)c(CN2CN(CCN(C)C)C(=O)[C@H]2C)c1 ZINC000843428507 702879941 /nfs/dbraw/zinc/87/99/41/702879941.db2.gz JYURTTWZZLUHPJ-CYBMUJFWSA-N 0 3 321.421 1.343 20 10 DDCDHN COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc([O-])cs1 ZINC000869762090 703844135 /nfs/dbraw/zinc/84/41/35/703844135.db2.gz CFFANGXHFHZORZ-UHFFFAOYSA-N 0 3 312.435 1.884 20 10 DDCDHN COCCN(CC1CCN(C)CC1)C(=O)C1=CC(=O)CS1 ZINC000869762090 703844138 /nfs/dbraw/zinc/84/41/38/703844138.db2.gz CFFANGXHFHZORZ-UHFFFAOYSA-N 0 3 312.435 1.884 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H]3C[C@H]3C1)cc2=O ZINC000852634038 704088460 /nfs/dbraw/zinc/08/84/60/704088460.db2.gz FKWNEOUXLWBXSR-QWRGUYRKSA-N 0 3 316.361 1.453 20 10 DDCDHN CN(C)CCCS(=O)(=O)NCCCSc1nccs1 ZINC000866781988 706798625 /nfs/dbraw/zinc/79/86/25/706798625.db2.gz OFRKANCZHAWDDC-UHFFFAOYSA-N 0 3 323.509 1.496 20 10 DDCDHN Cc1cc(Cl)cc(C[NH2+]C[C@]2(OCCO)CCOC2)c1[O-] ZINC000826943735 705896312 /nfs/dbraw/zinc/89/63/12/705896312.db2.gz ZOFZWMQRXCTOPS-OAHLLOKOSA-N 0 3 315.797 1.612 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000876961469 705939657 /nfs/dbraw/zinc/93/96/57/705939657.db2.gz GCKSUKAOSOLKGJ-KRWDZBQOSA-N 0 3 322.474 1.998 20 10 DDCDHN CNS(=O)(=O)c1cccc(CNCc2c(C)cccc2O)c1 ZINC000876960814 705939748 /nfs/dbraw/zinc/93/97/48/705939748.db2.gz NJXJALQYTFEHPJ-UHFFFAOYSA-N 0 3 320.414 1.899 20 10 DDCDHN CN(C)c1ccc(/C=C/CN2CCC(CO)(CO)CC2)cc1 ZINC000877796092 706218213 /nfs/dbraw/zinc/21/82/13/706218213.db2.gz HJUFIHCEEVPTME-ONEGZZNKSA-N 0 3 304.434 1.833 20 10 DDCDHN Nc1cnccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000883180991 707949267 /nfs/dbraw/zinc/94/92/67/707949267.db2.gz QBIPQNXFEGSEHC-UHFFFAOYSA-N 0 3 312.417 1.915 20 10 DDCDHN CCOc1ccc(CNCc2cnc3n2CCOC3)c(O)c1 ZINC000898270273 708593497 /nfs/dbraw/zinc/59/34/97/708593497.db2.gz JKNKMOJARWEZRB-UHFFFAOYSA-N 0 3 303.362 1.807 20 10 DDCDHN CCOc1ccc(C[NH2+]Cc2cnc3n2CCOC3)c([O-])c1 ZINC000898270273 708593499 /nfs/dbraw/zinc/59/34/99/708593499.db2.gz JKNKMOJARWEZRB-UHFFFAOYSA-N 0 3 303.362 1.807 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC(C)(C)O)N(C)C)cc1 ZINC000899101716 708983457 /nfs/dbraw/zinc/98/34/57/708983457.db2.gz KUYVZFSJDXJTJM-OAHLLOKOSA-N 0 3 322.453 1.425 20 10 DDCDHN CCOCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891779159 710292971 /nfs/dbraw/zinc/29/29/71/710292971.db2.gz GCRKYXSMHTYFRZ-MRXNPFEDSA-N 0 3 322.453 1.691 20 10 DDCDHN COc1ccc(CN2CCC(NC(C)=O)CC2)c(O)c1OC ZINC000891847054 710308314 /nfs/dbraw/zinc/30/83/14/710308314.db2.gz LPGGSMDEBUJMIL-UHFFFAOYSA-N 0 3 308.378 1.510 20 10 DDCDHN COc1ccc(CN(C)[C@H](CO)COC(C)C)c(O)c1OC ZINC000894499720 711150889 /nfs/dbraw/zinc/15/08/89/711150889.db2.gz GYZQOYCGBIOJTB-CYBMUJFWSA-N 0 3 313.394 1.627 20 10 DDCDHN Nc1ccnc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000903950902 711345104 /nfs/dbraw/zinc/34/51/04/711345104.db2.gz SUAZZCQYXCOHDD-UHFFFAOYSA-N 0 3 316.380 1.929 20 10 DDCDHN CCOC(=O)[C@@H]1[C@@H]2CCN(Cc3cc4c(cc3O)OCO4)C[C@@H]21 ZINC000896449104 711727353 /nfs/dbraw/zinc/72/73/53/711727353.db2.gz XMVFPUIJQKXTFT-BFQNTYOBSA-N 0 3 319.357 1.752 20 10 DDCDHN CC(C)(C)n1cc(C[NH2+]Cc2ccccc2[O-])c(=O)[nH]c1=O ZINC000922497939 714071121 /nfs/dbraw/zinc/07/11/21/714071121.db2.gz IKDOCHSXNKVYLK-UHFFFAOYSA-N 0 3 303.362 1.699 20 10 DDCDHN COc1cc(C(=O)N[C@H]2CCCN(C(C)C)C2)cc(OC)n1 ZINC001007789897 737189019 /nfs/dbraw/zinc/18/90/19/737189019.db2.gz DNRSMUPWPIODCJ-ZDUSSCGKSA-N 0 3 307.394 1.701 20 10 DDCDHN Oc1cc(O)c(CN2CCN(Cc3ccccn3)CC2)c(O)c1 ZINC001144509503 772557423 /nfs/dbraw/zinc/55/74/23/772557423.db2.gz CKFVIMQMPLBSMT-UHFFFAOYSA-N 0 3 315.373 1.516 20 10 DDCDHN CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001272625468 846423333 /nfs/dbraw/zinc/42/33/33/846423333.db2.gz KOZYDPMZWBWNAS-AWEZNQCLSA-N 0 3 304.390 1.749 20 10 DDCDHN CCN1CCN(c2ccc(CN3CCN(C)C(=O)C3)cc2)CC1 ZINC001140300463 860614964 /nfs/dbraw/zinc/61/49/64/860614964.db2.gz QBOSKSQLMFLPOD-UHFFFAOYSA-N 0 3 316.449 1.103 20 10 DDCDHN CN(C)c1ccc(CN2C[C@@H]3C(=O)N(C)C[C@@H]3C2)c(Cl)c1 ZINC001140924572 860733329 /nfs/dbraw/zinc/73/33/29/860733329.db2.gz RZQRLNFXRKPJCZ-OCCSQVGLSA-N 0 3 307.825 1.926 20 10 DDCDHN COc1ccc(Br)c(CN2CC[C@H](CO)C2)c1O ZINC001231552336 885728873 /nfs/dbraw/zinc/72/88/73/885728873.db2.gz DRVRVZOUELLIOL-VIFPVBQESA-N 0 3 316.195 1.978 20 10 DDCDHN COc1ccc(Br)c(C[N@@H+]2CC[C@H](CO)C2)c1[O-] ZINC001231552336 885728879 /nfs/dbraw/zinc/72/88/79/885728879.db2.gz DRVRVZOUELLIOL-VIFPVBQESA-N 0 3 316.195 1.978 20 10 DDCDHN COc1ccc(Br)c(C[N@H+]2CC[C@H](CO)C2)c1[O-] ZINC001231552336 885728887 /nfs/dbraw/zinc/72/88/87/885728887.db2.gz DRVRVZOUELLIOL-VIFPVBQESA-N 0 3 316.195 1.978 20 10 DDCDHN O=C(c1cc(O)c([O-])c(O)c1)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161214223 866446614 /nfs/dbraw/zinc/44/66/14/866446614.db2.gz SNHYCUWPQIMJNC-UHFFFAOYSA-N 0 3 320.389 1.655 20 10 DDCDHN CCNC(=O)CO[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC001203937752 870844577 /nfs/dbraw/zinc/84/45/77/870844577.db2.gz PRYNPDMSHQPCRX-QGZVFWFLSA-N 0 3 319.449 1.870 20 10 DDCDHN CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204274098 871030718 /nfs/dbraw/zinc/03/07/18/871030718.db2.gz IJKBESJESGRMGI-CQSZACIVSA-N 0 3 304.390 1.788 20 10 DDCDHN CCOc1ccc(N2CCN(CCC(=O)N(C)C)CC2)cc1 ZINC001319612172 872715726 /nfs/dbraw/zinc/71/57/26/872715726.db2.gz KNNNFAATUGPXMI-UHFFFAOYSA-N 0 3 305.422 1.686 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC001344822312 873135219 /nfs/dbraw/zinc/13/52/19/873135219.db2.gz QESKZDPMHUNYPE-DJSGYFEHSA-N 0 3 322.380 1.695 20 10 DDCDHN C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+](C)Cc1ccccc1[O-] ZINC001209337395 874820803 /nfs/dbraw/zinc/82/08/03/874820803.db2.gz HALDLJGNPNROGI-GFCCVEGCSA-N 0 3 314.385 1.943 20 10 DDCDHN C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+](C)Cc1ccccc1[O-] ZINC001209337395 874820818 /nfs/dbraw/zinc/82/08/18/874820818.db2.gz HALDLJGNPNROGI-GFCCVEGCSA-N 0 3 314.385 1.943 20 10 DDCDHN C[NH+](C)CCCN1CCN(Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231454589 885672154 /nfs/dbraw/zinc/67/21/54/885672154.db2.gz HAMGQXFGOLVMEQ-UHFFFAOYSA-N 0 3 321.421 1.160 20 10 DDCDHN COc1cc(CN2CC[C@](CO)(C(F)(F)F)C2)c(O)cc1O ZINC001231634308 885771831 /nfs/dbraw/zinc/77/18/31/885771831.db2.gz LBGKXSLQRBPUHV-ZDUSSCGKSA-N 0 3 321.295 1.853 20 10 DDCDHN CCN1CCN(c2ccc(OC[C@@H]3COC(=O)O3)cc2)CC1 ZINC001234657819 888173383 /nfs/dbraw/zinc/17/33/83/888173383.db2.gz JEODOUCUWBRQBI-OAHLLOKOSA-N 0 3 306.362 1.743 20 10 DDCDHN COc1cc([O-])c(CN2C[C@H]3C[NH2+]C[C@@H]32)cc1Br ZINC001236290772 889165747 /nfs/dbraw/zinc/16/57/47/889165747.db2.gz KHRWGTXJXLDVFL-KOLCDFICSA-N 0 3 313.195 1.567 20 10 DDCDHN COc1cc(C)c(CN2CC3(C2)CCN(C(C)=O)C3)c(O)c1 ZINC001236810760 889368239 /nfs/dbraw/zinc/36/82/39/889368239.db2.gz JOFWPHRGWKNGTE-UHFFFAOYSA-N 0 3 304.390 1.763 20 10 DDCDHN COc1cc(CN2CCc3nncn3CC2)c(O)c(OC)c1 ZINC001237670180 889794563 /nfs/dbraw/zinc/79/45/63/889794563.db2.gz QCLNPFSUBABFNK-UHFFFAOYSA-N 0 3 304.350 1.059 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)OC)C2)c([O-])c1 ZINC001249173811 893855092 /nfs/dbraw/zinc/85/50/92/893855092.db2.gz XBJWARPHTVVSSC-AWEZNQCLSA-N 0 3 321.373 1.493 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](C(=O)OC)C2)c([O-])c1 ZINC001249173811 893855108 /nfs/dbraw/zinc/85/51/08/893855108.db2.gz XBJWARPHTVVSSC-AWEZNQCLSA-N 0 3 321.373 1.493 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+](C)C2CCN(C)CC2)c([O-])c1 ZINC001249173792 893855840 /nfs/dbraw/zinc/85/58/40/893855840.db2.gz WPPGLCYACUOWIB-UHFFFAOYSA-N 0 3 306.406 1.634 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+](C)C2CCN(C)CC2)c([O-])c1 ZINC001249173792 893855861 /nfs/dbraw/zinc/85/58/61/893855861.db2.gz WPPGLCYACUOWIB-UHFFFAOYSA-N 0 3 306.406 1.634 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](CC(=O)OC)C2)c([O-])c1 ZINC001249216671 893872502 /nfs/dbraw/zinc/87/25/02/893872502.db2.gz GXNYGBNWVXSBKG-CYBMUJFWSA-N 0 3 321.373 1.493 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](CC(=O)OC)C2)c([O-])c1 ZINC001249216671 893872522 /nfs/dbraw/zinc/87/25/22/893872522.db2.gz GXNYGBNWVXSBKG-CYBMUJFWSA-N 0 3 321.373 1.493 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@H](C(N)=O)C3)ccc2O1 ZINC001249244481 893888304 /nfs/dbraw/zinc/88/83/04/893888304.db2.gz IGVPPUBLNQOUAO-GFCCVEGCSA-N 0 3 302.374 1.884 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@H](C(N)=O)C3)ccc2O1 ZINC001249244481 893888324 /nfs/dbraw/zinc/88/83/24/893888324.db2.gz IGVPPUBLNQOUAO-GFCCVEGCSA-N 0 3 302.374 1.884 20 10 DDCDHN [O-]c1ccccc1C[N@H+](CCN1CCOCC1)C[C@H]1CCCO1 ZINC000070976393 353187403 /nfs/dbraw/zinc/18/74/03/353187403.db2.gz UNJKSMJMGXWOKT-QGZVFWFLSA-N 0 3 320.433 1.705 20 10 DDCDHN [O-]c1ccccc1C[N@@H+](CCN1CCOCC1)C[C@H]1CCCO1 ZINC000070976393 353187405 /nfs/dbraw/zinc/18/74/05/353187405.db2.gz UNJKSMJMGXWOKT-QGZVFWFLSA-N 0 3 320.433 1.705 20 10 DDCDHN COc1cc([O-])c(C[NH+]2CCC(CCC(N)=O)CC2)cc1OC ZINC000271800507 129962587 /nfs/dbraw/zinc/96/25/87/129962587.db2.gz KQJBLVZVHIWBSO-UHFFFAOYSA-N 0 3 322.405 1.887 20 10 DDCDHN COC(=O)c1cn(CCNCc2ccc(N(C)C)c(F)c2)nn1 ZINC000284017714 131042109 /nfs/dbraw/zinc/04/21/09/131042109.db2.gz NJRKTBDYJXBABQ-UHFFFAOYSA-N 0 3 321.356 1.060 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c([O-])c1O ZINC000293852748 292063339 /nfs/dbraw/zinc/06/33/39/292063339.db2.gz DGPNPNDHPHGTCY-KRWDZBQOSA-N 0 3 304.390 1.964 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c([O-])c1O ZINC000293852748 292063342 /nfs/dbraw/zinc/06/33/42/292063342.db2.gz DGPNPNDHPHGTCY-KRWDZBQOSA-N 0 3 304.390 1.964 20 10 DDCDHN CCN(CC)C(=O)CN1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000179556603 407807377 /nfs/dbraw/zinc/80/73/77/407807377.db2.gz IFGLFGOPXBOSDM-UHFFFAOYSA-N 0 3 319.449 1.768 20 10 DDCDHN CCN(CC)C(=O)CN1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000179556603 407807381 /nfs/dbraw/zinc/80/73/81/407807381.db2.gz IFGLFGOPXBOSDM-UHFFFAOYSA-N 0 3 319.449 1.768 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)CNC[C@H]2CCCO2)cc1 ZINC000269248871 408233461 /nfs/dbraw/zinc/23/34/61/408233461.db2.gz NXMNFNPQKXYWNF-QGZVFWFLSA-N 0 3 319.449 1.918 20 10 DDCDHN CC[C@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000269248849 408234404 /nfs/dbraw/zinc/23/44/04/408234404.db2.gz NTMYAYBNZLMGBW-JMSVASOKSA-N 0 3 323.412 1.793 20 10 DDCDHN C[C@H]1CN(CCC[NH2+]Cc2cc3c(cc2[O-])OCO3)CCCO1 ZINC000277710995 408997137 /nfs/dbraw/zinc/99/71/37/408997137.db2.gz IQICOYLSESOQKF-ZDUSSCGKSA-N 0 3 322.405 1.711 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c([O-])c1O ZINC000293852751 409194768 /nfs/dbraw/zinc/19/47/68/409194768.db2.gz DGPNPNDHPHGTCY-QGZVFWFLSA-N 0 3 304.390 1.964 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c([O-])c1O ZINC000293852751 409194770 /nfs/dbraw/zinc/19/47/70/409194770.db2.gz DGPNPNDHPHGTCY-QGZVFWFLSA-N 0 3 304.390 1.964 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000293567635 409140103 /nfs/dbraw/zinc/14/01/03/409140103.db2.gz GTGCYJYDISDTNV-HNNXBMFYSA-N 0 3 302.378 1.622 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000293567635 409140107 /nfs/dbraw/zinc/14/01/07/409140107.db2.gz GTGCYJYDISDTNV-HNNXBMFYSA-N 0 3 302.378 1.622 20 10 DDCDHN CNC(=O)OC[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000290155233 409310323 /nfs/dbraw/zinc/31/03/23/409310323.db2.gz LLRWNDMPEDTODF-LBPRGKRZSA-N 0 3 322.361 1.831 20 10 DDCDHN COc1ccc(N2CCCN(CCN3CCNC3=O)CC2)cc1 ZINC000377279054 418708257 /nfs/dbraw/zinc/70/82/57/418708257.db2.gz XVUUDYPPPDHBJU-UHFFFAOYSA-N 0 3 318.421 1.233 20 10 DDCDHN C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(F)ccc1[O-] ZINC000368211080 418704394 /nfs/dbraw/zinc/70/43/94/418704394.db2.gz BTBULRYRJPHUNS-NHYWBVRUSA-N 0 3 322.380 1.962 20 10 DDCDHN CN(C)c1ccc(CN[C@@H]2CCN(c3cnn(C)c3)C2)cc1F ZINC000370905326 418748858 /nfs/dbraw/zinc/74/88/58/418748858.db2.gz OUVMCZNGCIIOKY-CQSZACIVSA-N 0 3 317.412 1.994 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2)c1 ZINC000362235357 418750612 /nfs/dbraw/zinc/75/06/12/418750612.db2.gz AUQQFPOZBGMVPU-CYBMUJFWSA-N 0 3 302.378 1.503 20 10 DDCDHN CCN(C)c1ccc([C@@H](C)NCCNC(=O)c2ccn[nH]2)cc1 ZINC000180218726 520285107 /nfs/dbraw/zinc/28/51/07/520285107.db2.gz RXQQMZGZJSSVSM-CYBMUJFWSA-N 0 3 315.421 1.946 20 10 DDCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c([O-])c1 ZINC000365653749 520352717 /nfs/dbraw/zinc/35/27/17/520352717.db2.gz FPBOZHHSPLYAAW-HIFRSBDPSA-N 0 3 304.390 1.749 20 10 DDCDHN CCCOc1ccc(C[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c([O-])c1 ZINC000365653749 520352722 /nfs/dbraw/zinc/35/27/22/520352722.db2.gz FPBOZHHSPLYAAW-HIFRSBDPSA-N 0 3 304.390 1.749 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([O-])c1O ZINC000182823516 526127428 /nfs/dbraw/zinc/12/74/28/526127428.db2.gz MPVKXMWEJXWCDX-TZMCWYRMSA-N 0 3 304.390 1.963 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([O-])c1O ZINC000182823516 526127431 /nfs/dbraw/zinc/12/74/31/526127431.db2.gz MPVKXMWEJXWCDX-TZMCWYRMSA-N 0 3 304.390 1.963 20 10 DDCDHN CN1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)C1=O ZINC000748242250 700107740 /nfs/dbraw/zinc/10/77/40/700107740.db2.gz KJCPMTDJQUDJIE-INIZCTEOSA-N 0 3 303.406 1.234 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C(=O)N1c1cnn(C)c1 ZINC000779087590 698394506 /nfs/dbraw/zinc/39/45/06/698394506.db2.gz OSIRDTBLMRVQTC-QMTHXVAHSA-N 0 3 318.352 1.548 20 10 DDCDHN COC1CCN(CCNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779529245 698431169 /nfs/dbraw/zinc/43/11/69/698431169.db2.gz NIZOBYRICBEDDW-HYXAFXHYSA-N 0 3 320.389 1.338 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](N)CC1CC1 ZINC000323693967 698740944 /nfs/dbraw/zinc/74/09/44/698740944.db2.gz DMZGUWPIXBKRII-KRWDZBQOSA-N 0 3 317.433 1.609 20 10 DDCDHN CON(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000788018296 699267740 /nfs/dbraw/zinc/26/77/40/699267740.db2.gz AHIBYNFAXNKUEK-HNNXBMFYSA-N 0 3 322.405 1.783 20 10 DDCDHN CON(C)C(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000788018296 699267744 /nfs/dbraw/zinc/26/77/44/699267744.db2.gz AHIBYNFAXNKUEK-HNNXBMFYSA-N 0 3 322.405 1.783 20 10 DDCDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cnn(C)c2)C1 ZINC000731465384 699529079 /nfs/dbraw/zinc/52/90/79/699529079.db2.gz HJTQMDUCOTVAKN-QWGSZXSUSA-N 0 3 310.401 1.953 20 10 DDCDHN COc1ccc(N2CCN(C[C@H](O)Cn3ccnc3)CC2)cc1 ZINC000754099666 700483637 /nfs/dbraw/zinc/48/36/37/700483637.db2.gz XBLMGEWVJLBJJE-INIZCTEOSA-N 0 3 316.405 1.075 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000809700719 701681373 /nfs/dbraw/zinc/68/13/73/701681373.db2.gz NAGIGGLWBWDMQR-ZIAGYGMSSA-N 0 3 306.406 1.696 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000809700719 701681375 /nfs/dbraw/zinc/68/13/75/701681375.db2.gz NAGIGGLWBWDMQR-ZIAGYGMSSA-N 0 3 306.406 1.696 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](n3ccnc3)C1)[C@H](O)CO2 ZINC000768447054 701177611 /nfs/dbraw/zinc/17/76/11/701177611.db2.gz QPXCPRJGHIPMPS-XJKSGUPXSA-N 0 3 315.373 1.852 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](n3ccnc3)C1)[C@H](O)CO2 ZINC000768447054 701177613 /nfs/dbraw/zinc/17/76/13/701177613.db2.gz QPXCPRJGHIPMPS-XJKSGUPXSA-N 0 3 315.373 1.852 20 10 DDCDHN COC(=O)CC[N@H+](Cc1cccc(OC)c1[O-])C1CCOCC1 ZINC000769505960 701247871 /nfs/dbraw/zinc/24/78/71/701247871.db2.gz LPFREDJZVHYUTH-UHFFFAOYSA-N 0 3 323.389 1.945 20 10 DDCDHN COC(=O)CC[N@@H+](Cc1cccc(OC)c1[O-])C1CCOCC1 ZINC000769505960 701247872 /nfs/dbraw/zinc/24/78/72/701247872.db2.gz LPFREDJZVHYUTH-UHFFFAOYSA-N 0 3 323.389 1.945 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)[C@@H](O)CO2 ZINC000840117276 701977544 /nfs/dbraw/zinc/97/75/44/701977544.db2.gz AJZLMUVCGOZASL-GUSZCTEKSA-N 0 3 319.401 1.943 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)[C@@H](O)CO2 ZINC000840117276 701977552 /nfs/dbraw/zinc/97/75/52/701977552.db2.gz AJZLMUVCGOZASL-GUSZCTEKSA-N 0 3 319.401 1.943 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c1[O-] ZINC000840959196 702293606 /nfs/dbraw/zinc/29/36/06/702293606.db2.gz YFDUVWXQSTUVND-SNVBAGLBSA-N 0 3 312.797 1.964 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c1[O-] ZINC000840959196 702293609 /nfs/dbraw/zinc/29/36/09/702293609.db2.gz YFDUVWXQSTUVND-SNVBAGLBSA-N 0 3 312.797 1.964 20 10 DDCDHN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CNCCCO2)c1[O-] ZINC000841087312 702341327 /nfs/dbraw/zinc/34/13/27/702341327.db2.gz UMIPDLKOSKZECO-LLVKDONJSA-N 0 3 315.757 1.422 20 10 DDCDHN NCc1cn([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)nn1 ZINC000841099341 702346190 /nfs/dbraw/zinc/34/61/90/702346190.db2.gz IIACAZOAVMURDB-CYBMUJFWSA-N 0 3 321.812 1.933 20 10 DDCDHN NCc1cn([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)nn1 ZINC000841099341 702346197 /nfs/dbraw/zinc/34/61/97/702346197.db2.gz IIACAZOAVMURDB-CYBMUJFWSA-N 0 3 321.812 1.933 20 10 DDCDHN C[C@@H]([NH2+]C[C@@H]1CNCCO1)c1cc(Br)ccc1[O-] ZINC000817982812 702542710 /nfs/dbraw/zinc/54/27/10/702542710.db2.gz HVGLAHRHUUSVPC-KOLCDFICSA-N 0 3 315.211 1.794 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000843433913 702881220 /nfs/dbraw/zinc/88/12/20/702881220.db2.gz MQPPLNPYSWGALT-ZBFHGGJFSA-N 0 3 303.406 1.991 20 10 DDCDHN COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879650047 706749558 /nfs/dbraw/zinc/74/95/58/706749558.db2.gz YXBXKJPTRWSUIK-TZMCWYRMSA-N 0 3 322.405 1.747 20 10 DDCDHN C[C@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1ccccc1[O-] ZINC000879651716 706750375 /nfs/dbraw/zinc/75/03/75/706750375.db2.gz INDLXJHRTITBGT-NSHDSACASA-N 0 3 305.378 1.763 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC000855224056 704473996 /nfs/dbraw/zinc/47/39/96/704473996.db2.gz DVFZUYPSHVPNKV-GJZGRUSLSA-N 0 3 317.433 1.732 20 10 DDCDHN COCCN1CC[C@H](NCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858131192 704668974 /nfs/dbraw/zinc/66/89/74/704668974.db2.gz MXVUKBSFEUTQEG-ZDUSSCGKSA-N 0 3 313.392 1.841 20 10 DDCDHN C[C@@H]1[C@H](NC/C=C/c2ccc(N(C)C)cc2)CCS1(=O)=O ZINC000858281547 704689110 /nfs/dbraw/zinc/68/91/10/704689110.db2.gz UBMOHZUUBUFHNA-LVQRLBQTSA-N 0 3 308.447 1.931 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)c([O-])c1 ZINC000824583421 705487025 /nfs/dbraw/zinc/48/70/25/705487025.db2.gz LGFPBZNGWQCOQV-OAHLLOKOSA-N 0 3 308.422 1.727 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CCN2CC[C@H](O)C2)c1[O-] ZINC000862552255 705731946 /nfs/dbraw/zinc/73/19/46/705731946.db2.gz UNUGRCKUEPYHAW-LBPRGKRZSA-N 0 3 300.786 1.210 20 10 DDCDHN COc1cc(CN2CC[C@@H](O)[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000826123553 705775076 /nfs/dbraw/zinc/77/50/76/705775076.db2.gz QGSVRABTJSQWMO-XJKSGUPXSA-N 0 3 323.433 1.873 20 10 DDCDHN Cc1cc(O)c(CN(CCN(C)C)CC(=O)N(C)C)cc1C ZINC000827157353 705942149 /nfs/dbraw/zinc/94/21/49/705942149.db2.gz APIWDLCMFOVMFF-UHFFFAOYSA-N 0 3 307.438 1.461 20 10 DDCDHN COc1cccc(CN2CCN(c3nccn3C)CC2)c1O ZINC000827892349 706083075 /nfs/dbraw/zinc/08/30/75/706083075.db2.gz WMUHKFFJHAEAFG-UHFFFAOYSA-N 0 3 302.378 1.457 20 10 DDCDHN OC[C@H]1CSCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877780464 706208364 /nfs/dbraw/zinc/20/83/64/706208364.db2.gz RZHWSFXUKGMJQG-INIZCTEOSA-N 0 3 322.474 1.557 20 10 DDCDHN COCCNCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003731 706271325 /nfs/dbraw/zinc/27/13/25/706271325.db2.gz PQSTXDZVUCSPHR-OAHLLOKOSA-N 0 3 322.405 1.136 20 10 DDCDHN COCCNCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829003617 706271599 /nfs/dbraw/zinc/27/15/99/706271599.db2.gz PQSTXDZVUCSPHR-HNNXBMFYSA-N 0 3 322.405 1.136 20 10 DDCDHN Cc1nonc1[C@H](C)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000926854489 712913145 /nfs/dbraw/zinc/91/31/45/712913145.db2.gz NWPIVYRNLDDYOS-ZDUSSCGKSA-N 0 3 315.421 1.981 20 10 DDCDHN CCC1(CC)CNC(=O)[C@H]1NCc1ccc(OC)c(OC)c1O ZINC000897341492 708297203 /nfs/dbraw/zinc/29/72/03/708297203.db2.gz GNRVGEDPRLLPHL-OAHLLOKOSA-N 0 3 322.405 1.804 20 10 DDCDHN CN(C)S(=O)(=O)C1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000886737358 708829471 /nfs/dbraw/zinc/82/94/71/708829471.db2.gz YXNOPJIDBAWCDA-GFCCVEGCSA-N 0 3 310.419 1.393 20 10 DDCDHN COC(=O)[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000901705332 710126606 /nfs/dbraw/zinc/12/66/06/710126606.db2.gz BFAIFHVIJURLII-DLBZAZTESA-N 0 3 319.449 1.897 20 10 DDCDHN CC[C@H](O)[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247724 710140480 /nfs/dbraw/zinc/14/04/80/710140480.db2.gz UPSMJIWHZGTPMY-XYPHTWIQSA-N 0 3 321.465 1.879 20 10 DDCDHN COC(=O)c1c(CNC[C@@H](O)C2CC2)c2cc(F)ccc2n1C ZINC000894763873 711263339 /nfs/dbraw/zinc/26/33/39/711263339.db2.gz CNBHJCVHSQBCEJ-OAHLLOKOSA-N 0 3 320.364 1.965 20 10 DDCDHN COC(=O)[C@@]1(O)CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000895707493 711584295 /nfs/dbraw/zinc/58/42/95/711584295.db2.gz LSLREJFVQMVKLR-GOSISDBHSA-N 0 3 318.417 1.787 20 10 DDCDHN CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)[C@@H](C)C1 ZINC001148590332 773542708 /nfs/dbraw/zinc/54/27/08/773542708.db2.gz HUUQDQSEPRAPEF-JQWIXIFHSA-N 0 3 308.378 1.652 20 10 DDCDHN CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(O)c([O-])c(O)c2)[C@@H](C)C1 ZINC001148590332 773542713 /nfs/dbraw/zinc/54/27/13/773542713.db2.gz HUUQDQSEPRAPEF-JQWIXIFHSA-N 0 3 308.378 1.652 20 10 DDCDHN OCCCN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138496021 860119032 /nfs/dbraw/zinc/11/90/32/860119032.db2.gz NCVUHBXGNIHMIE-UHFFFAOYSA-N 0 3 319.449 1.023 20 10 DDCDHN Cc1ccc(C)c(CN2Cc3ccnn3CC[C@@H]2CO)c1O ZINC001140185410 860588107 /nfs/dbraw/zinc/58/81/07/860588107.db2.gz UVUUQHJMDZILRV-OAHLLOKOSA-N 0 3 301.390 1.972 20 10 DDCDHN CCN1CCN(c2ccc(CN(C)CC(=O)OC)cc2)CC1 ZINC001140305658 860616683 /nfs/dbraw/zinc/61/66/83/860616683.db2.gz FCLPFXGPZCXNQE-UHFFFAOYSA-N 0 3 305.422 1.433 20 10 DDCDHN COC(=O)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001337669070 869587941 /nfs/dbraw/zinc/58/79/41/869587941.db2.gz IGCYBBCWFDOGDS-OAHLLOKOSA-N 0 3 321.421 1.425 20 10 DDCDHN CCNC(=O)CO[C@H]1CCCN(Cc2cccc(OC)c2O)C1 ZINC001203596834 870660506 /nfs/dbraw/zinc/66/05/06/870660506.db2.gz OFMBZOHCEYAMGQ-AWEZNQCLSA-N 0 3 322.405 1.518 20 10 DDCDHN COCC[N@H+](Cc1ccc(OC)cc1[O-])C1CCN(C)CC1 ZINC001203630397 870684865 /nfs/dbraw/zinc/68/48/65/870684865.db2.gz SBBMWCCQGTVVPD-UHFFFAOYSA-N 0 3 308.422 1.943 20 10 DDCDHN COCC[N@@H+](Cc1ccc(OC)cc1[O-])C1CCN(C)CC1 ZINC001203630397 870684875 /nfs/dbraw/zinc/68/48/75/870684875.db2.gz SBBMWCCQGTVVPD-UHFFFAOYSA-N 0 3 308.422 1.943 20 10 DDCDHN COC(=O)N1CC(NCc2cc(Cl)cc(OC)c2O)C1 ZINC001205465438 871570056 /nfs/dbraw/zinc/57/00/56/871570056.db2.gz HYIPCABUEHZQED-UHFFFAOYSA-N 0 3 300.742 1.594 20 10 DDCDHN COCCN(C)C(=O)[C@@]12C[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001276914626 881075029 /nfs/dbraw/zinc/07/50/29/881075029.db2.gz RUVIJQKDDRXXCP-CXAGYDPISA-N 0 3 320.389 1.025 20 10 DDCDHN COCCN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277445393 884315231 /nfs/dbraw/zinc/31/52/31/884315231.db2.gz DYJZYWBFSPWANI-RHSMWYFYSA-N 0 3 304.390 1.319 20 10 DDCDHN COCCN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277445393 884315253 /nfs/dbraw/zinc/31/52/53/884315253.db2.gz DYJZYWBFSPWANI-RHSMWYFYSA-N 0 3 304.390 1.319 20 10 DDCDHN Oc1cc(O)c(CN2CC[C@H](Oc3cccnc3)C2)cc1O ZINC001233485222 887018384 /nfs/dbraw/zinc/01/83/84/887018384.db2.gz NLJZOBYQYRQZMY-ZDUSSCGKSA-N 0 3 302.330 1.852 20 10 DDCDHN CC(C)(O)CCN1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487031 887023153 /nfs/dbraw/zinc/02/31/53/887023153.db2.gz MBEIKFGZQVBCOL-UHFFFAOYSA-N 0 3 310.394 1.082 20 10 DDCDHN COc1cc([O-])c(CN2CCN[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235062535 888386020 /nfs/dbraw/zinc/38/60/20/888386020.db2.gz PSQXBYRLMQZYJT-OAHLLOKOSA-N 0 3 311.813 1.192 20 10 DDCDHN COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001236807609 889365474 /nfs/dbraw/zinc/36/54/74/889365474.db2.gz GELLCBJFCXFJGA-QGZVFWFLSA-N 0 3 304.390 1.811 20 10 DDCDHN COc1cc(C)c(C[N@H+]2CCC[C@@]3(CCNC3=O)C2)c([O-])c1 ZINC001236807609 889365483 /nfs/dbraw/zinc/36/54/83/889365483.db2.gz GELLCBJFCXFJGA-QGZVFWFLSA-N 0 3 304.390 1.811 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c([O-])c1 ZINC001237041783 889478097 /nfs/dbraw/zinc/47/80/97/889478097.db2.gz UNGMDWZCYPFFCU-HUUCEWRRSA-N 0 3 304.390 1.986 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c([O-])c1 ZINC001237041783 889478101 /nfs/dbraw/zinc/47/81/01/889478101.db2.gz UNGMDWZCYPFFCU-HUUCEWRRSA-N 0 3 304.390 1.986 20 10 DDCDHN COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cc(F)cc(C)c1[O-])C2 ZINC001238060153 890005404 /nfs/dbraw/zinc/00/54/04/890005404.db2.gz FZWLYFFGZIONND-LRDDRELGSA-N 0 3 309.337 1.461 20 10 DDCDHN COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(F)cc(C)c1[O-])C2 ZINC001238060153 890005423 /nfs/dbraw/zinc/00/54/23/890005423.db2.gz FZWLYFFGZIONND-LRDDRELGSA-N 0 3 309.337 1.461 20 10 DDCDHN COCCN1C[C@@H]2C[N@H+](Cc3cc(F)cc(C)c3[O-])C[C@@H]2C1=O ZINC001238062811 890006819 /nfs/dbraw/zinc/00/68/19/890006819.db2.gz XGSDXUJIHNABDS-ZFWWWQNUSA-N 0 3 322.380 1.376 20 10 DDCDHN COCCN1C[C@@H]2C[N@@H+](Cc3cc(F)cc(C)c3[O-])C[C@@H]2C1=O ZINC001238062811 890006845 /nfs/dbraw/zinc/00/68/45/890006845.db2.gz XGSDXUJIHNABDS-ZFWWWQNUSA-N 0 3 322.380 1.376 20 10 DDCDHN COc1ccc(N2CCN(C(=O)CN(C)CC(C)C)CC2)cc1 ZINC000065961493 352972851 /nfs/dbraw/zinc/97/28/51/352972851.db2.gz AHTQLMVNSUVLCB-UHFFFAOYSA-N 0 3 319.449 1.932 20 10 DDCDHN CS[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1N(C)C ZINC000272676049 130053173 /nfs/dbraw/zinc/05/31/73/130053173.db2.gz RFDNVIPAQSWKPI-RZRUPYEKSA-N 0 3 322.430 1.615 20 10 DDCDHN COC(=O)c1cn(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])nn1 ZINC000284185963 131057096 /nfs/dbraw/zinc/05/70/96/131057096.db2.gz AVRIUKINKZWMSY-LLVKDONJSA-N 0 3 304.350 1.430 20 10 DDCDHN Cc1cc(Br)cc(CN(C)[C@@H]2COC[C@H]2O)c1O ZINC000289275289 131370437 /nfs/dbraw/zinc/37/04/37/131370437.db2.gz GSCMAAIVSJBJEE-VXGBXAGGSA-N 0 3 316.195 1.655 20 10 DDCDHN COC(=O)C[C@@H]1CSCCN1Cc1cccc(OC)c1O ZINC000271206538 407573398 /nfs/dbraw/zinc/57/33/98/407573398.db2.gz RWSJTESNZLVWKT-GFCCVEGCSA-N 0 3 311.403 1.881 20 10 DDCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000271112954 407519098 /nfs/dbraw/zinc/51/90/98/407519098.db2.gz UUNYRTQJCSFAGB-MRXNPFEDSA-N 0 3 309.362 1.794 20 10 DDCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000271112954 407519102 /nfs/dbraw/zinc/51/91/02/407519102.db2.gz UUNYRTQJCSFAGB-MRXNPFEDSA-N 0 3 309.362 1.794 20 10 DDCDHN COC(=O)[C@]1(C)CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000271112954 407519105 /nfs/dbraw/zinc/51/91/05/407519105.db2.gz UUNYRTQJCSFAGB-MRXNPFEDSA-N 0 3 309.362 1.794 20 10 DDCDHN COc1cc([O-])c(C[NH2+]C[C@](C)(O)CSC)cc1OC ZINC000271800110 407731319 /nfs/dbraw/zinc/73/13/19/407731319.db2.gz ISGYNWWQZMYNQB-AWEZNQCLSA-N 0 3 301.408 1.613 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](CN3CCOCC3)C1)OCO2 ZINC000172935426 407854860 /nfs/dbraw/zinc/85/48/60/407854860.db2.gz QVMTYTLDZPKPPP-ZDUSSCGKSA-N 0 3 320.389 1.275 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](CN3CCOCC3)C1)OCO2 ZINC000172935426 407854866 /nfs/dbraw/zinc/85/48/66/407854866.db2.gz QVMTYTLDZPKPPP-ZDUSSCGKSA-N 0 3 320.389 1.275 20 10 DDCDHN COCCN1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000263663991 408193891 /nfs/dbraw/zinc/19/38/91/408193891.db2.gz APVPRHKAJJKRAB-UHFFFAOYSA-N 0 3 307.394 1.302 20 10 DDCDHN CC[C@H](N)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000269248848 408234378 /nfs/dbraw/zinc/23/43/78/408234378.db2.gz NTMYAYBNZLMGBW-HUBLWGQQSA-N 0 3 323.412 1.793 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCN(C)CC2)c1 ZINC000192924192 408672543 /nfs/dbraw/zinc/67/25/43/408672543.db2.gz HKKFVTORMYIUMY-AWEZNQCLSA-N 0 3 307.438 1.689 20 10 DDCDHN C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccccc1[O-] ZINC000281188136 408874063 /nfs/dbraw/zinc/87/40/63/408874063.db2.gz RCFQFKHZUIDYLL-RYUDHWBXSA-N 0 3 314.389 1.601 20 10 DDCDHN C[C@H](CN1CCOCC1)N(C)Cc1cc2c(cc1O)OCO2 ZINC000278892531 409108337 /nfs/dbraw/zinc/10/83/37/409108337.db2.gz XNVUIUROVXFCLI-GFCCVEGCSA-N 0 3 308.378 1.273 20 10 DDCDHN CCN1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278902433 409109742 /nfs/dbraw/zinc/10/97/42/409109742.db2.gz RHQJHLFEHPJGDP-UHFFFAOYSA-N 0 3 309.366 1.883 20 10 DDCDHN COc1ncccc1CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000289862857 409287759 /nfs/dbraw/zinc/28/77/59/409287759.db2.gz QOCWBLCSWAGOSF-UHFFFAOYSA-N 0 3 302.330 1.857 20 10 DDCDHN CCCOc1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c([O-])c1 ZINC000280296988 409287782 /nfs/dbraw/zinc/28/77/82/409287782.db2.gz NFRIGPREXJCLKF-GJZGRUSLSA-N 0 3 309.406 1.916 20 10 DDCDHN O=S1(=O)CCC[C@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000290081677 409298306 /nfs/dbraw/zinc/29/83/06/409298306.db2.gz IWZPRLAQSNUPNF-SNVBAGLBSA-N 0 3 313.375 1.035 20 10 DDCDHN O=C1CO[C@@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2N1 ZINC000373769266 418458734 /nfs/dbraw/zinc/45/87/34/418458734.db2.gz URFCUMZDLDSXSL-DOTOQJQBSA-N 0 3 312.369 1.635 20 10 DDCDHN O=C1CO[C@@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]2N1 ZINC000373769266 418458735 /nfs/dbraw/zinc/45/87/35/418458735.db2.gz URFCUMZDLDSXSL-DOTOQJQBSA-N 0 3 312.369 1.635 20 10 DDCDHN C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCCOC1)c1ccccc1[O-] ZINC000367828698 418641165 /nfs/dbraw/zinc/64/11/65/418641165.db2.gz VSEWGEXRQZTELN-QAPCUYQASA-N 0 3 320.433 1.924 20 10 DDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000368037312 418676868 /nfs/dbraw/zinc/67/68/68/418676868.db2.gz IVIFSLNHPCCFPM-IOKDEZFASA-N 0 3 318.373 1.090 20 10 DDCDHN CN(Cc1ccccc1O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000369048697 418728067 /nfs/dbraw/zinc/72/80/67/418728067.db2.gz WVQSPMGJMDEIAE-GJZGRUSLSA-N 0 3 319.405 1.397 20 10 DDCDHN COC[C@H](C)OC[C@H](O)CNCc1c(C)c2ccccc2n1C ZINC000572114507 421764508 /nfs/dbraw/zinc/76/45/08/421764508.db2.gz YOQKLVAZWLVLAX-DZGCQCFKSA-N 0 3 320.433 1.989 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000363766555 332244001 /nfs/dbraw/zinc/24/40/01/332244001.db2.gz IHMKXNQHDKIEHS-KBPBESRZSA-N 0 3 306.406 1.868 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000363766555 332244002 /nfs/dbraw/zinc/24/40/02/332244002.db2.gz IHMKXNQHDKIEHS-KBPBESRZSA-N 0 3 306.406 1.868 20 10 DDCDHN C[C@@H]1CCCN(CCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180932005 524223703 /nfs/dbraw/zinc/22/37/03/524223703.db2.gz JRSIGIQWEPBGLK-VUDGCMKMSA-N 0 3 304.390 1.959 20 10 DDCDHN CC(=O)N1CCN(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000273388951 534791986 /nfs/dbraw/zinc/79/19/86/534791986.db2.gz KGGXCJJTLVOVRH-GFCCVEGCSA-N 0 3 309.385 1.346 20 10 DDCDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cnn(C)c2)C1 ZINC000067208699 696359947 /nfs/dbraw/zinc/35/99/47/696359947.db2.gz HJTQMDUCOTVAKN-ROJDOSBLSA-N 0 3 310.401 1.953 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000182360354 697473806 /nfs/dbraw/zinc/47/38/06/697473806.db2.gz VHNGLLMHGNTTQB-XQQFMLRXSA-N 0 3 322.405 1.687 20 10 DDCDHN CN(C)c1ccc(CNCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000314025909 698686056 /nfs/dbraw/zinc/68/60/56/698686056.db2.gz JZSFJCSNYCAYOJ-UHFFFAOYSA-N 0 3 319.430 1.690 20 10 DDCDHN C[C@H]1C[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)c2c1c(F)ccc2[O-] ZINC000757640369 700667232 /nfs/dbraw/zinc/66/72/32/700667232.db2.gz YJRFAIZKSBUHCN-CABZTGNLSA-N 0 3 318.352 1.822 20 10 DDCDHN COc1cccc(CN2CCN(C[C@H]3CCCO3)CC2)c1O ZINC000768192907 701163032 /nfs/dbraw/zinc/16/30/32/701163032.db2.gz VTJRXGMSDJXJGO-OAHLLOKOSA-N 0 3 306.406 1.697 20 10 DDCDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CC1)OCCO3)[C@@H](O)CO2 ZINC000768442416 701176865 /nfs/dbraw/zinc/17/68/65/701176865.db2.gz VCMMAIMDJUTVJU-AWEZNQCLSA-N 0 3 307.346 1.157 20 10 DDCDHN COC(=O)[C@](C)(O)CN(Cc1ccco1)Cc1ccccc1O ZINC000808736277 701533466 /nfs/dbraw/zinc/53/34/66/701533466.db2.gz OWTUFFDMRITISR-QGZVFWFLSA-N 0 3 319.357 1.911 20 10 DDCDHN C[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)N1CCCC[C@@H]1C ZINC000841006739 702306882 /nfs/dbraw/zinc/30/68/82/702306882.db2.gz HFUFJJSOUUHZFV-QWHCGFSZSA-N 0 3 318.421 1.586 20 10 DDCDHN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CNCCO1 ZINC000841098516 702344666 /nfs/dbraw/zinc/34/46/66/702344666.db2.gz HHEXQRIRUZGQHP-NSHDSACASA-N 0 3 301.184 1.233 20 10 DDCDHN COCCN1CCC[C@@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841800262 702569605 /nfs/dbraw/zinc/56/96/05/702569605.db2.gz AJUXUUQQSOVRDN-MRXNPFEDSA-N 0 3 320.437 1.221 20 10 DDCDHN CC(C)(C)N1CC[C@@H](NCc2cc3c(cc2O)OCO3)C1=O ZINC000842720712 702762508 /nfs/dbraw/zinc/76/25/08/702762508.db2.gz LESJEPAXMIGEAM-LLVKDONJSA-N 0 3 306.362 1.610 20 10 DDCDHN COc1ccc(N(C)CCN(C)CCN2CCO[C@@H](C)C2)cc1 ZINC000844401483 703026301 /nfs/dbraw/zinc/02/63/01/703026301.db2.gz MGISWPJJGQGNLS-INIZCTEOSA-N 0 3 321.465 1.784 20 10 DDCDHN CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000879652179 706750270 /nfs/dbraw/zinc/75/02/70/706750270.db2.gz WRZQPKHLQUGNCG-STQMWFEESA-N 0 3 319.405 1.122 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848562320 703563253 /nfs/dbraw/zinc/56/32/53/703563253.db2.gz HRFMOHFMNMHCEA-MELADBBJSA-N 0 3 308.422 1.988 20 10 DDCDHN CC(C)(C)[C@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852917342 704171796 /nfs/dbraw/zinc/17/17/96/704171796.db2.gz YXGQBTVWVFZKJD-MRXNPFEDSA-N 0 3 319.449 1.637 20 10 DDCDHN O=C1NCC[C@@H]1CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000821390894 704402727 /nfs/dbraw/zinc/40/27/27/704402727.db2.gz FOKZOMUAEFCJPA-ZBFHGGJFSA-N 0 3 318.417 1.899 20 10 DDCDHN O=C1NCC[C@@H]1CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000821390894 704402728 /nfs/dbraw/zinc/40/27/28/704402728.db2.gz FOKZOMUAEFCJPA-ZBFHGGJFSA-N 0 3 318.417 1.899 20 10 DDCDHN CCN(CC)CC(=O)N1CCN(Cc2ccc(C)cc2O)CC1 ZINC000876684946 705818569 /nfs/dbraw/zinc/81/85/69/705818569.db2.gz LHOUDEUFSAGMRP-UHFFFAOYSA-N 0 3 319.449 1.687 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000877583238 706149348 /nfs/dbraw/zinc/14/93/48/706149348.db2.gz GSDPGLWAXDDJQG-UHFFFAOYSA-N 0 3 320.433 1.672 20 10 DDCDHN COc1cc(Cl)cc(CN2CCC(CO)(CO)CC2)c1O ZINC000877798243 706219171 /nfs/dbraw/zinc/21/91/71/706219171.db2.gz JVZUVZAZGZYXII-UHFFFAOYSA-N 0 3 315.797 1.621 20 10 DDCDHN CC[C@H](NCc1ccc(OC)c(Cn2cccn2)c1)C(=O)NC ZINC000873129290 707742418 /nfs/dbraw/zinc/74/24/18/707742418.db2.gz KIIMRMFHFRAQPO-HNNXBMFYSA-N 0 3 316.405 1.554 20 10 DDCDHN COc1ccc(CNCc2cnn(CCF)c2)c(O)c1OC ZINC000897728657 708432458 /nfs/dbraw/zinc/43/24/58/708432458.db2.gz KGFNSBUJVAQVIC-UHFFFAOYSA-N 0 3 309.341 1.865 20 10 DDCDHN CN(C)S(=O)(=O)C1(CNCc2ccc3c(c2)CCO3)CC1 ZINC000886322237 708742838 /nfs/dbraw/zinc/74/28/38/708742838.db2.gz UHEGBUPZUSROQK-UHFFFAOYSA-N 0 3 310.419 1.135 20 10 DDCDHN Cc1c[nH]nc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247024 710140631 /nfs/dbraw/zinc/14/06/31/710140631.db2.gz GRGXLLULSROAKJ-HNNXBMFYSA-N 0 3 315.421 1.817 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)C2(C)COC2)N(C)C)cc1 ZINC000891246714 710140707 /nfs/dbraw/zinc/14/07/07/710140707.db2.gz CHFGZFVKOCUJRZ-HNNXBMFYSA-N 0 3 305.422 1.508 20 10 DDCDHN CN(C)c1ccc([C@H](CNCc2cn(C)cn2)N(C)C)cc1 ZINC000902722959 710878694 /nfs/dbraw/zinc/87/86/94/710878694.db2.gz FILRLFKOIUTHMA-KRWDZBQOSA-N 0 3 301.438 1.879 20 10 DDCDHN COc1ccc(CN[C@@H]2C[C@H]3CCCCN3C2=O)c(O)c1OC ZINC000894811720 711281244 /nfs/dbraw/zinc/28/12/44/711281244.db2.gz YRWYZQZSMOEORK-CHWSQXEVSA-N 0 3 320.389 1.652 20 10 DDCDHN CNC(=O)NC1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000894934228 711327036 /nfs/dbraw/zinc/32/70/36/711327036.db2.gz OBRUSCIGOTZENO-UHFFFAOYSA-N 0 3 323.393 1.303 20 10 DDCDHN C[C@](O)(CNCc1ccc(N2CCOCC2)c(F)c1)C(F)F ZINC000905053201 711921497 /nfs/dbraw/zinc/92/14/97/711921497.db2.gz ZOGFMRVOKSJBPQ-HNNXBMFYSA-N 0 3 318.339 1.768 20 10 DDCDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1C ZINC000915390799 713418166 /nfs/dbraw/zinc/41/81/66/713418166.db2.gz QMZWZBUSYDENMF-CJNGLKHVSA-N 0 3 316.449 1.961 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)NCC(F)F)N(C)C)cc1 ZINC000931633482 714144179 /nfs/dbraw/zinc/14/41/79/714144179.db2.gz IRGROFLXYACHKW-ZDUSSCGKSA-N 0 3 314.380 1.920 20 10 DDCDHN COCCCN1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001209055326 732583195 /nfs/dbraw/zinc/58/31/95/732583195.db2.gz VTPZOANQLPWOIP-UHFFFAOYSA-N 0 3 308.422 1.870 20 10 DDCDHN N[C@H]1CN(Cc2ccc(OCC(F)(F)F)cc2O)C[C@H]1F ZINC001204836922 741702657 /nfs/dbraw/zinc/70/26/57/741702657.db2.gz MBOZJQPIWCWBKS-MNOVXSKESA-N 0 3 308.275 1.814 20 10 DDCDHN CNC(=O)NC1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC001182371305 743594185 /nfs/dbraw/zinc/59/41/85/743594185.db2.gz YZWZRBPBOHRYGM-UHFFFAOYSA-N 0 3 323.393 1.303 20 10 DDCDHN COc1ccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(C)C3)C2)c([O-])c1 ZINC001272625947 846424568 /nfs/dbraw/zinc/42/45/68/846424568.db2.gz QJLPLMKQMIMKGO-QGZVFWFLSA-N 0 3 320.389 1.082 20 10 DDCDHN COc1ccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(C)C3)C2)c([O-])c1 ZINC001272625947 846424575 /nfs/dbraw/zinc/42/45/75/846424575.db2.gz QJLPLMKQMIMKGO-QGZVFWFLSA-N 0 3 320.389 1.082 20 10 DDCDHN CN(C)C(=O)CN1CC2(C1)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001275266960 852940619 /nfs/dbraw/zinc/94/06/19/852940619.db2.gz HHQBRGVZLFPJOA-UHFFFAOYSA-N 0 3 317.433 1.378 20 10 DDCDHN CN(C)C[C@H]1CN(Cc2ccc3c(c2)OCCN3C)CCO1 ZINC001141139786 860793136 /nfs/dbraw/zinc/79/31/36/860793136.db2.gz BKESBONJIOXNBI-HNNXBMFYSA-N 0 3 305.422 1.278 20 10 DDCDHN CCOc1cccc(CN2CCc3[nH]c(=O)[nH]c(=O)c3C2)c1O ZINC001203614360 870672461 /nfs/dbraw/zinc/67/24/61/870672461.db2.gz YZBRNVWBZRTVOH-UHFFFAOYSA-N 0 3 317.345 1.550 20 10 DDCDHN COc1ccc(O)c(CN2CC[C@H](Oc3cnccn3)C2)c1 ZINC001203684110 870712157 /nfs/dbraw/zinc/71/21/57/870712157.db2.gz NEEDFBOFCSIBBQ-AWEZNQCLSA-N 0 3 301.346 1.844 20 10 DDCDHN O=C(NC1CC1)[C@H]1C[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203877882 870813586 /nfs/dbraw/zinc/81/35/86/870813586.db2.gz YJQQQGJHEAYSSI-ZSOGYDGISA-N 0 3 316.401 1.834 20 10 DDCDHN CO[C@]1(CNCc2cc(F)c(N(C)C)cc2F)CCOC1 ZINC001348100017 874360680 /nfs/dbraw/zinc/36/06/80/874360680.db2.gz OMJSXDCUFCRIKI-HNNXBMFYSA-N 0 3 300.349 1.926 20 10 DDCDHN O=C(N1CC=CC1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277196343 882952275 /nfs/dbraw/zinc/95/22/75/882952275.db2.gz GSGCAABFOYBQNF-CXAGYDPISA-N 0 3 300.358 1.318 20 10 DDCDHN O=C(N1CC=CC1)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277196343 882952293 /nfs/dbraw/zinc/95/22/93/882952293.db2.gz GSGCAABFOYBQNF-CXAGYDPISA-N 0 3 300.358 1.318 20 10 DDCDHN CCOC(=O)[C@@H]1CNCCN1Cc1cc(Cl)c(C)cc1O ZINC001211362678 875773119 /nfs/dbraw/zinc/77/31/19/875773119.db2.gz PMVGTMRWUHVNKZ-ZDUSSCGKSA-N 0 3 312.797 1.691 20 10 DDCDHN Cc1nc(N)ccc1CNC(=O)C[C@@H]([NH3+])c1ccccc1[O-] ZINC001220071673 878687167 /nfs/dbraw/zinc/68/71/67/878687167.db2.gz MWMWRXDSJNTCBD-CYBMUJFWSA-N 0 3 300.362 1.384 20 10 DDCDHN [O-]c1cc(Cl)c(F)cc1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222510828 880526180 /nfs/dbraw/zinc/52/61/80/880526180.db2.gz GCJWXXXFSTVTHH-KBPBESRZSA-N 0 3 313.804 1.711 20 10 DDCDHN COCCN(C)C(=O)[C@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2 ZINC001277488705 885255588 /nfs/dbraw/zinc/25/55/88/885255588.db2.gz FLYOHRQWBCMEIL-CYBMUJFWSA-N 0 3 322.380 1.458 20 10 DDCDHN COCCN(C)C(=O)[C@H]1CC12CN(Cc1c(O)cccc1F)C2 ZINC001277488705 885255605 /nfs/dbraw/zinc/25/56/05/885255605.db2.gz FLYOHRQWBCMEIL-CYBMUJFWSA-N 0 3 322.380 1.458 20 10 DDCDHN Cc1cc(C)c(CN2C[C@](O)(C(F)(F)F)C[C@H]2CO)c(O)c1 ZINC001231842576 885902216 /nfs/dbraw/zinc/90/22/16/885902216.db2.gz OSSZQXRLFBBJGM-FZMZJTMJSA-N 0 3 319.323 1.869 20 10 DDCDHN COc1cc([O-])c(CN2CCOC[C@H]2C[NH+](C)C)cc1Cl ZINC001232267494 886198648 /nfs/dbraw/zinc/19/86/48/886198648.db2.gz CQRRKBVRDPJDLA-GFCCVEGCSA-N 0 3 314.813 1.817 20 10 DDCDHN O=C(NC1CCN(Cc2cc(O)c(O)cc2O)CC1)C1CCC1 ZINC001233485063 887018721 /nfs/dbraw/zinc/01/87/21/887018721.db2.gz HQWIUNCXBGWCBZ-UHFFFAOYSA-N 0 3 320.389 1.684 20 10 DDCDHN COC(=O)[C@@H]1CNCCN1Cc1cc(Cl)cc(OC)c1O ZINC001236056775 889088819 /nfs/dbraw/zinc/08/88/19/889088819.db2.gz QOHKISKLQSZRHN-NSHDSACASA-N 0 3 314.769 1.001 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c([O-])c1 ZINC001249224061 893879720 /nfs/dbraw/zinc/87/97/20/893879720.db2.gz RZYPPLMITXCKDQ-ZFWWWQNUSA-N 0 3 317.385 1.909 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c([O-])c1 ZINC001249224061 893879740 /nfs/dbraw/zinc/87/97/40/893879740.db2.gz RZYPPLMITXCKDQ-ZFWWWQNUSA-N 0 3 317.385 1.909 20 10 DDCDHN Cc1c2ccccc2n(C)c1CNC[C@H](O)CN1CCOCC1 ZINC000578997080 354714536 /nfs/dbraw/zinc/71/45/36/354714536.db2.gz YPNLSCLJNJIUCZ-HNNXBMFYSA-N 0 3 317.433 1.269 20 10 DDCDHN CCOc1cccc(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1O ZINC000284218074 131060233 /nfs/dbraw/zinc/06/02/33/131060233.db2.gz CQAAYMFLQWYAMQ-ZIAGYGMSSA-N 0 3 308.422 1.678 20 10 DDCDHN COC(=O)c1cn(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])nn1 ZINC000284459232 131082897 /nfs/dbraw/zinc/08/28/97/131082897.db2.gz UYMCERLFGZHZHM-SECBINFHSA-N 0 3 308.313 1.260 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CCN2CCCOCC2)c1[O-] ZINC000289413425 131384680 /nfs/dbraw/zinc/38/46/80/131384680.db2.gz IEPCSRRAQDGINQ-UHFFFAOYSA-N 0 3 314.813 1.866 20 10 DDCDHN CC(C)(C)[C@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000236698973 407756561 /nfs/dbraw/zinc/75/65/61/407756561.db2.gz MUJYYJIDFQEQLY-OAHLLOKOSA-N 0 3 323.412 1.652 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000179802959 407831761 /nfs/dbraw/zinc/83/17/61/407831761.db2.gz XTOZSTRBJSAFMP-OAHLLOKOSA-N 0 3 306.406 1.697 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000179802959 407831766 /nfs/dbraw/zinc/83/17/66/407831766.db2.gz XTOZSTRBJSAFMP-OAHLLOKOSA-N 0 3 306.406 1.697 20 10 DDCDHN Oc1cc2c(cc1CN1CCS[C@H]3COCC[C@H]31)OCO2 ZINC000268998519 408223285 /nfs/dbraw/zinc/22/32/85/408223285.db2.gz XKWAAKRWOBFAMR-ABAIWWIYSA-N 0 3 309.387 1.827 20 10 DDCDHN CC[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000274905729 408565653 /nfs/dbraw/zinc/56/56/53/408565653.db2.gz MBEMOQRCLDCVLT-GXTWGEPZSA-N 0 3 312.435 1.857 20 10 DDCDHN C[C@@H]1CN(CCCCNC(=O)Cc2ccc(N)cc2)C[C@@H](C)O1 ZINC000165559066 408810659 /nfs/dbraw/zinc/81/06/59/408810659.db2.gz GJUSWYIJHBXSHA-HUUCEWRRSA-N 0 3 319.449 1.817 20 10 DDCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1C ZINC000278750565 409088061 /nfs/dbraw/zinc/08/80/61/409088061.db2.gz SCSAWYCUFBUGCR-IRXDYDNUSA-N 0 3 315.417 1.950 20 10 DDCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1C ZINC000278750565 409088064 /nfs/dbraw/zinc/08/80/64/409088064.db2.gz SCSAWYCUFBUGCR-IRXDYDNUSA-N 0 3 315.417 1.950 20 10 DDCDHN CN(C)CCn1nccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000293977289 409218668 /nfs/dbraw/zinc/21/86/68/409218668.db2.gz GFSJDUHYXMGACD-GQCTYLIASA-N 0 3 316.361 1.508 20 10 DDCDHN CC(=O)N1CCC[C@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000279783482 409247776 /nfs/dbraw/zinc/24/77/76/409247776.db2.gz LQBXEKCYXMQYCM-GFCCVEGCSA-N 0 3 306.362 1.469 20 10 DDCDHN CCOc1cccc(C[NH2+][C@H]2CCCN(CCCO)C2)c1[O-] ZINC000295111457 409326963 /nfs/dbraw/zinc/32/69/63/409326963.db2.gz LSVVJBGGDARRDQ-HNNXBMFYSA-N 0 3 308.422 1.727 20 10 DDCDHN COC1CCN(c2ccc(CN(C)[C@@H]3COC[C@H]3O)cc2)CC1 ZINC000295281430 409410980 /nfs/dbraw/zinc/41/09/80/409410980.db2.gz KPHXTVSTXHGJRD-QZTJIDSGSA-N 0 3 320.433 1.493 20 10 DDCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1cc(F)ccc1[O-] ZINC000368318586 418718621 /nfs/dbraw/zinc/71/86/21/418718621.db2.gz NBZWGKDCIKIXRU-GXFFZTMASA-N 0 3 318.352 1.721 20 10 DDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)c1 ZINC000370373054 418743991 /nfs/dbraw/zinc/74/39/91/418743991.db2.gz AYOWGXTZCMBOPR-LBPRGKRZSA-N 0 3 316.409 1.544 20 10 DDCDHN O=C([C@@H]1CCCO1)N1CCCN(Cc2ccccc2O)CC1 ZINC000378491669 418724527 /nfs/dbraw/zinc/72/45/27/418724527.db2.gz FSKWJVPSDFIUHE-INIZCTEOSA-N 0 3 304.390 1.606 20 10 DDCDHN C[C@@]1(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)NC(=O)NC1=O ZINC000371533116 418797058 /nfs/dbraw/zinc/79/70/58/418797058.db2.gz DNHBBXAHSKSTIY-INIZCTEOSA-N 0 3 321.352 1.341 20 10 DDCDHN C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccccc1[O-] ZINC000371690466 418808832 /nfs/dbraw/zinc/80/88/32/418808832.db2.gz XMFSHMDTRSKGKN-JKDFXYPNSA-N 0 3 317.389 1.763 20 10 DDCDHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cccc(OC)c1O ZINC000372280781 418850836 /nfs/dbraw/zinc/85/08/36/418850836.db2.gz GBUBKXGEFIRWNV-UONOGXRCSA-N 0 3 323.389 1.943 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000296549544 280145205 /nfs/dbraw/zinc/14/52/05/280145205.db2.gz RKLXCXZEZPZZLC-JSGCOSHPSA-N 0 3 313.467 1.731 20 10 DDCDHN COC(=O)CCN1CCN(Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000154757892 696937102 /nfs/dbraw/zinc/93/71/02/696937102.db2.gz HFXVZGFTBANSKR-OAHLLOKOSA-N 0 3 319.449 1.822 20 10 DDCDHN C[C@@H](NCC(=O)NC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775258339 697977132 /nfs/dbraw/zinc/97/71/32/697977132.db2.gz XWYXCSPJRLWALA-CYBMUJFWSA-N 0 3 303.406 1.452 20 10 DDCDHN COCCNC(=O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000778995792 698389329 /nfs/dbraw/zinc/38/93/29/698389329.db2.gz JDQUEDLYVYTUAS-UHFFFAOYSA-N 0 3 310.369 1.506 20 10 DDCDHN O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000790458140 699461950 /nfs/dbraw/zinc/46/19/50/699461950.db2.gz ILFQBIPXHSODOD-WFASDCNBSA-N 0 3 318.373 1.015 20 10 DDCDHN O=C1CCCN1[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000790458140 699461952 /nfs/dbraw/zinc/46/19/52/699461952.db2.gz ILFQBIPXHSODOD-WFASDCNBSA-N 0 3 318.373 1.015 20 10 DDCDHN O=C1CCCN1[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000790458140 699461953 /nfs/dbraw/zinc/46/19/53/699461953.db2.gz ILFQBIPXHSODOD-WFASDCNBSA-N 0 3 318.373 1.015 20 10 DDCDHN NC(=O)[C@@H]1CCCN(c2ccc(CNCC3(F)CC3)cc2)C1 ZINC000793044905 699730337 /nfs/dbraw/zinc/73/03/37/699730337.db2.gz VSHMKGYEZPILLR-CQSZACIVSA-N 0 3 305.397 1.980 20 10 DDCDHN CCNS(=O)(=O)CC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794809296 699831842 /nfs/dbraw/zinc/83/18/42/699831842.db2.gz FVLGSRUJDBUHGF-CYBMUJFWSA-N 0 3 300.424 1.681 20 10 DDCDHN O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)C1CC1 ZINC000809784116 701689281 /nfs/dbraw/zinc/68/92/81/701689281.db2.gz HGZFDFNJNGVRRW-CYBMUJFWSA-N 0 3 324.446 1.686 20 10 DDCDHN O=S(=O)(NC[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1)C1CC1 ZINC000809784116 701689283 /nfs/dbraw/zinc/68/92/83/701689283.db2.gz HGZFDFNJNGVRRW-CYBMUJFWSA-N 0 3 324.446 1.686 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](n3ccnc3)C1)[C@H](O)CO2 ZINC000768447051 701177618 /nfs/dbraw/zinc/17/76/18/701177618.db2.gz QPXCPRJGHIPMPS-CZUORRHYSA-N 0 3 315.373 1.852 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](n3ccnc3)C1)[C@H](O)CO2 ZINC000768447051 701177620 /nfs/dbraw/zinc/17/76/20/701177620.db2.gz QPXCPRJGHIPMPS-CZUORRHYSA-N 0 3 315.373 1.852 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c2c1c(F)ccc2[O-] ZINC000810261577 701749044 /nfs/dbraw/zinc/74/90/44/701749044.db2.gz DWVUEBCLDNEZHA-MWLCHTKSSA-N 0 3 316.398 1.561 20 10 DDCDHN C[C@@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1O ZINC000868217717 702004861 /nfs/dbraw/zinc/00/48/61/702004861.db2.gz VDMMSFDLRKPYBZ-RDBSUJKOSA-N 0 3 319.405 1.616 20 10 DDCDHN COC(=O)C[C@]1(NCc2ccc(N(C)C)cc2C)CCOC1 ZINC000840936655 702286249 /nfs/dbraw/zinc/28/62/49/702286249.db2.gz AUUTVQCUWAKAGD-QGZVFWFLSA-N 0 3 306.406 1.873 20 10 DDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000866440448 706699992 /nfs/dbraw/zinc/69/99/92/706699992.db2.gz QNJCKWOIMOIFSK-JBLDHEPKSA-N 0 3 306.362 1.035 20 10 DDCDHN C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc(F)ccc1[O-] ZINC000866520820 706720047 /nfs/dbraw/zinc/72/00/47/706720047.db2.gz IGPYFTBTOREXEN-BONVTDFDSA-N 0 3 310.325 1.403 20 10 DDCDHN CC[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccccc1[O-] ZINC000866521583 706720607 /nfs/dbraw/zinc/72/06/07/706720607.db2.gz NRVWQTOXGFNVBO-CJNGLKHVSA-N 0 3 306.362 1.654 20 10 DDCDHN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CN2CCN1CCC2 ZINC000846475801 703280980 /nfs/dbraw/zinc/28/09/80/703280980.db2.gz JTOYZVUBWOCVHH-ZDUSSCGKSA-N 0 3 309.797 1.052 20 10 DDCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCC(C(N)=O)CC1 ZINC000879651825 706750254 /nfs/dbraw/zinc/75/02/54/706750254.db2.gz LSMRHRVASDPFCT-RYUDHWBXSA-N 0 3 319.405 1.155 20 10 DDCDHN CCOc1ccc(O)c(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)c1 ZINC000850368033 703727769 /nfs/dbraw/zinc/72/77/69/703727769.db2.gz HQOCBJJTHIJIGT-WCQYABFASA-N 0 3 313.419 1.846 20 10 DDCDHN CCN(CC)c1ccc(CN2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1F ZINC000824893007 705552962 /nfs/dbraw/zinc/55/29/62/705552962.db2.gz ILOYBABEFZHRCJ-BETUJISGSA-N 0 3 319.380 1.376 20 10 DDCDHN Cc1ccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c([O-])c1 ZINC000876808792 705885988 /nfs/dbraw/zinc/88/59/88/705885988.db2.gz NNLNSDNTXHSXQE-UHFFFAOYSA-N 0 3 312.435 1.556 20 10 DDCDHN Cc1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c([O-])c1 ZINC000876808792 705885990 /nfs/dbraw/zinc/88/59/90/705885990.db2.gz NNLNSDNTXHSXQE-UHFFFAOYSA-N 0 3 312.435 1.556 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000877501992 706125397 /nfs/dbraw/zinc/12/53/97/706125397.db2.gz XYCYVZKEEYJSBB-TZMCWYRMSA-N 0 3 312.435 1.508 20 10 DDCDHN Cc1ccc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c([O-])c1 ZINC000877654295 706171023 /nfs/dbraw/zinc/17/10/23/706171023.db2.gz XRZFFUOZQZLNML-AWEZNQCLSA-N 0 3 324.388 1.507 20 10 DDCDHN CC(=O)NC[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000877675110 706176873 /nfs/dbraw/zinc/17/68/73/706176873.db2.gz PSQVSIQPJPJUPO-ZDUSSCGKSA-N 0 3 306.362 1.612 20 10 DDCDHN O=C(C[C@@H]1CNCCO1)NCc1c(O)ccc2c1CCCC2 ZINC000830597400 706541119 /nfs/dbraw/zinc/54/11/19/706541119.db2.gz GYTOZKNKJBRLGL-CYBMUJFWSA-N 0 3 304.390 1.266 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)[C@H](N)CC2CC2)cc1 ZINC000884386370 708274067 /nfs/dbraw/zinc/27/40/67/708274067.db2.gz MWLRQBFTBAFOPG-MRXNPFEDSA-N 0 3 305.422 1.717 20 10 DDCDHN O=C1NCCN1CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000897583107 708383306 /nfs/dbraw/zinc/38/33/06/708383306.db2.gz OCMWXHSWACCUQR-UHFFFAOYSA-N 0 3 307.369 1.769 20 10 DDCDHN NC(=O)C1CCN(c2ccc(CNCc3cn[nH]c3)cc2)CC1 ZINC000886324753 708743522 /nfs/dbraw/zinc/74/35/22/708743522.db2.gz FPMHYCSSPKHUHN-UHFFFAOYSA-N 0 3 313.405 1.401 20 10 DDCDHN COCCNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899724378 709174701 /nfs/dbraw/zinc/17/47/01/709174701.db2.gz MYEHJRJJHWTBDF-HNNXBMFYSA-N 0 3 324.494 1.466 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@]2(C)CCOC2)N(C)C)cc1 ZINC000891246790 710140746 /nfs/dbraw/zinc/14/07/46/710140746.db2.gz DMONCRJQOFHTGB-SJLPKXTDSA-N 0 3 319.449 1.898 20 10 DDCDHN CC1=NO[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891248412 710141386 /nfs/dbraw/zinc/14/13/86/710141386.db2.gz MJSMGGQKLYPLKT-HZPDHXFCSA-N 0 3 318.421 1.636 20 10 DDCDHN CNC(=O)CCNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894207936 711017858 /nfs/dbraw/zinc/01/78/58/711017858.db2.gz BDVPRNYALLNKFM-UHFFFAOYSA-N 0 3 321.352 1.330 20 10 DDCDHN COc1ccc(CNCCS(=O)(=O)C(C)C)c(O)c1OC ZINC000894525365 711163517 /nfs/dbraw/zinc/16/35/17/711163517.db2.gz AEBXNAYQBAGLNK-UHFFFAOYSA-N 0 3 317.407 1.322 20 10 DDCDHN C[C@H](NCC=Cc1ccc(N(C)C)cc1)c1n[nH]c(=O)n1C ZINC000895172818 711441492 /nfs/dbraw/zinc/44/14/92/711441492.db2.gz SGJXZXBDSOJNCG-FJOGCWAESA-N 0 3 301.394 1.951 20 10 DDCDHN COc1cc(C)cc(CNCc2nc([C@@H]3CCCO3)n[nH]2)c1O ZINC000895183464 711447113 /nfs/dbraw/zinc/44/71/13/711447113.db2.gz LFHVPKNXEDZOAU-LBPRGKRZSA-N 0 3 318.377 1.969 20 10 DDCDHN COc1ccc(CNC[C@]2(OC)CCS(=O)(=O)C2)cc1C ZINC000922616366 714101221 /nfs/dbraw/zinc/10/12/21/714101221.db2.gz VMUMGJGTHJJVQW-OAHLLOKOSA-N 0 3 313.419 1.297 20 10 DDCDHN CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc([O-])cs1)C2 ZINC000926149465 715015277 /nfs/dbraw/zinc/01/52/77/715015277.db2.gz BNNLPEHAYRQCKE-NCZKRNLISA-N 0 3 324.446 1.663 20 10 DDCDHN CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc([O-])cs1)C2 ZINC000926149465 715015280 /nfs/dbraw/zinc/01/52/80/715015280.db2.gz BNNLPEHAYRQCKE-NCZKRNLISA-N 0 3 324.446 1.663 20 10 DDCDHN CN1CCN(c2ccc(CNc3cc4c(nn3)CNC4)cc2)CC1 ZINC001167426178 733448593 /nfs/dbraw/zinc/44/85/93/733448593.db2.gz ACNJBKJAOBKQBG-UHFFFAOYSA-N 0 3 324.432 1.444 20 10 DDCDHN CN(C)c1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1F ZINC000151291291 742963164 /nfs/dbraw/zinc/96/31/64/742963164.db2.gz UECAZHOHYYOPOV-UHFFFAOYSA-N 0 3 307.329 1.786 20 10 DDCDHN Cc1snnc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001212405111 752045248 /nfs/dbraw/zinc/04/52/48/752045248.db2.gz IGZKIHAIGAGPIG-UHFFFAOYSA-N 0 3 300.347 1.604 20 10 DDCDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc(OCC)cc1O ZINC001326503426 861412224 /nfs/dbraw/zinc/41/22/24/861412224.db2.gz SJHVLTCRXXLUCN-CQSZACIVSA-N 0 3 308.378 1.128 20 10 DDCDHN COC(=O)[C@H]1C[C@@H](O)CN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001327107108 861892438 /nfs/dbraw/zinc/89/24/38/861892438.db2.gz KFJATDNQBSICSK-DOTOQJQBSA-N 0 3 318.417 1.643 20 10 DDCDHN Cc1cccc([O-])c1C[N@H+]1CCOC[C@@]2(CC(=O)N(C)C2)C1 ZINC001274303036 852142316 /nfs/dbraw/zinc/14/23/16/852142316.db2.gz BHMUSMQOJYAVDV-QGZVFWFLSA-N 0 3 304.390 1.381 20 10 DDCDHN Cc1cccc([O-])c1C[N@@H+]1CCOC[C@@]2(CC(=O)N(C)C2)C1 ZINC001274303036 852142324 /nfs/dbraw/zinc/14/23/24/852142324.db2.gz BHMUSMQOJYAVDV-QGZVFWFLSA-N 0 3 304.390 1.381 20 10 DDCDHN COc1cc(CN2CCC[C@]3(CN(C)CCO3)C2)c(O)cc1O ZINC001276091566 854750857 /nfs/dbraw/zinc/75/08/57/854750857.db2.gz SNTOBZZUXSNSKF-KRWDZBQOSA-N 0 3 322.405 1.403 20 10 DDCDHN CNC(=O)NC1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141146081 860794920 /nfs/dbraw/zinc/79/49/20/860794920.db2.gz JTRVVSGEAIOKFG-UHFFFAOYSA-N 0 3 318.421 1.409 20 10 DDCDHN COc1ccnc(O[C@@H]2CCN(Cc3cc(O)ccc3O)C2)n1 ZINC001141162800 860799472 /nfs/dbraw/zinc/79/94/72/860799472.db2.gz FIMSFLKCUKVFBU-CYBMUJFWSA-N 0 3 317.345 1.550 20 10 DDCDHN CN(C)c1cc(F)c(CNCC2(CO)CCOCC2)cc1F ZINC001329967451 863977676 /nfs/dbraw/zinc/97/76/76/863977676.db2.gz TXQNQQVAKUQYSU-UHFFFAOYSA-N 0 3 314.376 1.910 20 10 DDCDHN Nc1ccc2c(c1)CN(C(=O)C[C@@H]([NH3+])c1ccccc1[O-])CC2 ZINC001161076294 866351056 /nfs/dbraw/zinc/35/10/56/866351056.db2.gz KTFKCFLJFMGADT-MRXNPFEDSA-N 0 3 311.385 1.949 20 10 DDCDHN C[C@H](O)CN1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001321505143 867635364 /nfs/dbraw/zinc/63/53/64/867635364.db2.gz UDRSQOGHGZKIDM-INIZCTEOSA-N 0 3 303.450 1.785 20 10 DDCDHN COc1ccc(CNCc2cnc3n2CCOC3)c(O)c1OC ZINC001336871594 869193497 /nfs/dbraw/zinc/19/34/97/869193497.db2.gz BGEHFHJWBZEKBA-UHFFFAOYSA-N 0 3 319.361 1.426 20 10 DDCDHN COc1ccc(O)c(CN2CC[C@H]3O[C@@H](C(=O)N(C)C)C[C@H]32)c1 ZINC001203669525 870703549 /nfs/dbraw/zinc/70/35/49/870703549.db2.gz AKRXIGPYUOUVEE-FVQBIDKESA-N 0 3 320.389 1.221 20 10 DDCDHN O=C1[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]2CN1CC1CC1 ZINC001204272678 871031729 /nfs/dbraw/zinc/03/17/29/871031729.db2.gz GNPTUQQIZBNACD-ZFWWWQNUSA-N 0 3 302.374 1.398 20 10 DDCDHN O=C1[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]2CN1CC1CC1 ZINC001204272678 871031750 /nfs/dbraw/zinc/03/17/50/871031750.db2.gz GNPTUQQIZBNACD-ZFWWWQNUSA-N 0 3 302.374 1.398 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)c1cc(C2CC[NH2+]CC2)no1 ZINC001341769732 871816740 /nfs/dbraw/zinc/81/67/40/871816740.db2.gz ZHNVQZGLLCSLTA-UHFFFAOYSA-N 0 3 319.336 1.916 20 10 DDCDHN O=C(CNCc1ccc(N2CCCC2)cc1)N1CCOCC1 ZINC000318966553 880110401 /nfs/dbraw/zinc/11/04/01/880110401.db2.gz GELDZGQXIXTOHZ-UHFFFAOYSA-N 0 3 303.406 1.235 20 10 DDCDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](CC(=O)N(C)C)O[C@H]3C2)c([O-])c1 ZINC001277569140 885883545 /nfs/dbraw/zinc/88/35/45/885883545.db2.gz WAYSBWMYWVIGBX-VYDXJSESSA-N 0 3 318.417 1.768 20 10 DDCDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](CC(=O)N(C)C)O[C@H]3C2)c([O-])c1 ZINC001277569140 885883566 /nfs/dbraw/zinc/88/35/66/885883566.db2.gz WAYSBWMYWVIGBX-VYDXJSESSA-N 0 3 318.417 1.768 20 10 DDCDHN COCCN(C)C(=O)[C@@H]1CC12CN(Cc1ccc(C)cc1O)C2 ZINC001277568679 885885163 /nfs/dbraw/zinc/88/51/63/885885163.db2.gz UJHJQWYGZIWWKP-HNNXBMFYSA-N 0 3 318.417 1.627 20 10 DDCDHN O=C1CCCC2(CCN(Cc3cc(O)c(O)cc3O)CC2)N1 ZINC001233484796 887019249 /nfs/dbraw/zinc/01/92/49/887019249.db2.gz XREXVNQKLKWPAQ-UHFFFAOYSA-N 0 3 306.362 1.438 20 10 DDCDHN CN(C)C(=O)[C@H]1COCCC12CN(Cc1cc(F)ccc1O)C2 ZINC001278255245 890288856 /nfs/dbraw/zinc/28/88/56/890288856.db2.gz QFYAMQZVDSBIBJ-CQSZACIVSA-N 0 3 322.380 1.458 20 10 DDCDHN CN(C)C(=O)[C@H]1COCCC12C[NH+](Cc1cc(F)ccc1[O-])C2 ZINC001278255245 890288871 /nfs/dbraw/zinc/28/88/71/890288871.db2.gz QFYAMQZVDSBIBJ-CQSZACIVSA-N 0 3 322.380 1.458 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c([O-])c1 ZINC001249224060 893879980 /nfs/dbraw/zinc/87/99/80/893879980.db2.gz RZYPPLMITXCKDQ-UKRRQHHQSA-N 0 3 317.385 1.909 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c([O-])c1 ZINC001249224060 893880002 /nfs/dbraw/zinc/88/00/02/893880002.db2.gz RZYPPLMITXCKDQ-UKRRQHHQSA-N 0 3 317.385 1.909 20 10 DDCDHN CCOC(=O)C[C@H](O)C[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001253809939 896114669 /nfs/dbraw/zinc/11/46/69/896114669.db2.gz QEFJTOOAXWHUNL-HNNXBMFYSA-N 0 3 303.358 1.949 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCN2CCN(C(C)=O)CC2)c1 ZINC000273420041 130119650 /nfs/dbraw/zinc/11/96/50/130119650.db2.gz RWAQSVMCCOOJFU-CYBMUJFWSA-N 0 3 321.421 1.216 20 10 DDCDHN COC(=O)c1cn(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])nn1 ZINC000284067699 131045067 /nfs/dbraw/zinc/04/50/67/131045067.db2.gz MZXCLXCRSWRWCN-LBPRGKRZSA-N 0 3 318.377 1.738 20 10 DDCDHN CCOC[C@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000113499082 407508043 /nfs/dbraw/zinc/50/80/43/407508043.db2.gz XPZWSKROROTPAI-QGZVFWFLSA-N 0 3 308.422 1.352 20 10 DDCDHN Cc1cc(Br)cc(C[N@H+](CCO)CCCO)c1[O-] ZINC000271738595 407729135 /nfs/dbraw/zinc/72/91/35/407729135.db2.gz PSUGXQOBIJRHJC-UHFFFAOYSA-N 0 3 318.211 1.640 20 10 DDCDHN Cc1cc(Br)cc(C[N@@H+](CCO)CCCO)c1[O-] ZINC000271738595 407729145 /nfs/dbraw/zinc/72/91/45/407729145.db2.gz PSUGXQOBIJRHJC-UHFFFAOYSA-N 0 3 318.211 1.640 20 10 DDCDHN COC(=O)CC1([NH2+]Cc2cc(OC)ccc2[O-])CCOCC1 ZINC000271986824 407743704 /nfs/dbraw/zinc/74/37/04/407743704.db2.gz OWDFRTKUIGVKOI-UHFFFAOYSA-N 0 3 309.362 1.603 20 10 DDCDHN COc1cccc(CNC(=O)NC[C@H](C)N(C)C2CC2)c1O ZINC000174739037 407986985 /nfs/dbraw/zinc/98/69/85/407986985.db2.gz BKSPMWNAXBRJGO-NSHDSACASA-N 0 3 307.394 1.683 20 10 DDCDHN COCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000184707989 408673586 /nfs/dbraw/zinc/67/35/86/408673586.db2.gz LJIMTYKFBQLCGI-CQSZACIVSA-N 0 3 303.786 1.931 20 10 DDCDHN CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000277007903 408902953 /nfs/dbraw/zinc/90/29/53/408902953.db2.gz BMAWAPCBJYVYJD-JTQLQIEISA-N 0 3 319.402 1.014 20 10 DDCDHN C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2ccccc2[O-])NC(=O)NC1=O ZINC000289719093 409284440 /nfs/dbraw/zinc/28/44/40/409284440.db2.gz PGERJSAZKJNPJI-LRDDRELGSA-N 0 3 303.362 1.345 20 10 DDCDHN C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2ccccc2[O-])NC(=O)NC1=O ZINC000289719093 409284442 /nfs/dbraw/zinc/28/44/42/409284442.db2.gz PGERJSAZKJNPJI-LRDDRELGSA-N 0 3 303.362 1.345 20 10 DDCDHN CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295856459 409373603 /nfs/dbraw/zinc/37/36/03/409373603.db2.gz GJOYGLZZFGIQNV-CYBMUJFWSA-N 0 3 312.435 1.641 20 10 DDCDHN Cn1cc(N2CC[C@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2=O)cn1 ZINC000296916118 409704240 /nfs/dbraw/zinc/70/42/40/409704240.db2.gz PMBMMIUAAZTYCR-KBPBESRZSA-N 0 3 312.373 1.508 20 10 DDCDHN CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000290936517 418579151 /nfs/dbraw/zinc/57/91/51/418579151.db2.gz PLCZNRWUTBDWCI-RYUDHWBXSA-N 0 3 316.195 1.967 20 10 DDCDHN CNC(=O)CN1CCC([NH2+][C@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000192753516 222134691 /nfs/dbraw/zinc/13/46/91/222134691.db2.gz KXEYIQLGTPPMGP-GFCCVEGCSA-N 0 3 321.421 1.262 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369128445 418728654 /nfs/dbraw/zinc/72/86/54/418728654.db2.gz UNRCIWPGVOQHQK-UBHSHLNASA-N 0 3 302.374 1.654 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369128445 418728655 /nfs/dbraw/zinc/72/86/55/418728655.db2.gz UNRCIWPGVOQHQK-UBHSHLNASA-N 0 3 302.374 1.654 20 10 DDCDHN O=C1CC[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@@H](C2CC2)N1 ZINC000370286783 418742652 /nfs/dbraw/zinc/74/26/52/418742652.db2.gz YSCRBZADIOGTAQ-BDJLRTHQSA-N 0 3 304.346 1.268 20 10 DDCDHN C[C@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1cc(F)ccc1[O-] ZINC000370373933 418743858 /nfs/dbraw/zinc/74/38/58/418743858.db2.gz IVGFSHSPWGHHRL-JTQLQIEISA-N 0 3 320.372 1.374 20 10 DDCDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc2c(cc1O)OCO2 ZINC000371413423 418790776 /nfs/dbraw/zinc/79/07/76/418790776.db2.gz SFBCBPADRWCTGS-DRZSPHRISA-N 0 3 318.373 1.739 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000364719596 418804248 /nfs/dbraw/zinc/80/42/48/418804248.db2.gz AESSSOMGIDCDJA-ZDUSSCGKSA-N 0 3 302.378 1.503 20 10 DDCDHN C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccccc1[O-] ZINC000371681359 418808307 /nfs/dbraw/zinc/80/83/07/418808307.db2.gz QDLMDKCYNUDYBH-CVEARBPZSA-N 0 3 319.449 1.449 20 10 DDCDHN CCOc1ccc(O)c(CN2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC000372681978 418891708 /nfs/dbraw/zinc/89/17/08/418891708.db2.gz CCHDAAJOEBCNCW-INIZCTEOSA-N 0 3 306.362 1.865 20 10 DDCDHN COc1ccc(N(C)C(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)cn1 ZINC000662897224 484528571 /nfs/dbraw/zinc/52/85/71/484528571.db2.gz ICAFRBYWBVJBCJ-SNVBAGLBSA-N 0 3 301.350 1.167 20 10 DDCDHN CN(C)CCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000131172012 521775043 /nfs/dbraw/zinc/77/50/43/521775043.db2.gz ASWGHLXAZFGAMM-VMPITWQZSA-N 0 3 303.406 1.214 20 10 DDCDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000236892589 521950258 /nfs/dbraw/zinc/95/02/58/521950258.db2.gz JHFVUMXAWHFESQ-BBRMVZONSA-N 0 3 305.422 1.513 20 10 DDCDHN C[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000157137881 524816219 /nfs/dbraw/zinc/81/62/19/524816219.db2.gz PGXFOWJBYCYGIW-BBRMVZONSA-N 0 3 305.422 1.607 20 10 DDCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1CC(C)(C)O ZINC000188965471 524987615 /nfs/dbraw/zinc/98/76/15/524987615.db2.gz YLIHKAHKFFLMEC-GFCCVEGCSA-N 0 3 322.405 1.398 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c([O-])c1O ZINC000182489325 526122113 /nfs/dbraw/zinc/12/21/13/526122113.db2.gz CAHMLRZFDPQAPA-ZDUSSCGKSA-N 0 3 304.390 1.964 20 10 DDCDHN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCCN1 ZINC000165185683 526683050 /nfs/dbraw/zinc/68/30/50/526683050.db2.gz BPZQTQYMBWJSGY-INIZCTEOSA-N 0 3 303.406 1.282 20 10 DDCDHN CN(C)c1ccc(CN2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000273693007 536147653 /nfs/dbraw/zinc/14/76/53/536147653.db2.gz BQBICZQDQIDKIU-OAHLLOKOSA-N 0 3 302.422 1.789 20 10 DDCDHN COCCN(C)CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000115677183 696665715 /nfs/dbraw/zinc/66/57/15/696665715.db2.gz ITOKQWFRBJBUNK-UHFFFAOYSA-N 0 3 322.453 1.438 20 10 DDCDHN CS(=O)(=O)N[C@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000160210561 697315619 /nfs/dbraw/zinc/31/56/19/697315619.db2.gz GIABRPMMYTZJPH-HNNXBMFYSA-N 0 3 324.446 1.395 20 10 DDCDHN CCN(CC(=O)OC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775676263 698021758 /nfs/dbraw/zinc/02/17/58/698021758.db2.gz ORVXISGHTNBFJS-UHFFFAOYSA-N 0 3 305.422 1.433 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2COCCO2)c1[O-] ZINC000776034444 698062075 /nfs/dbraw/zinc/06/20/75/698062075.db2.gz VAMOEHRMGKISJC-GFCCVEGCSA-N 0 3 316.195 1.968 20 10 DDCDHN C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(Br)cc1[O-] ZINC000756556351 700627906 /nfs/dbraw/zinc/62/79/06/700627906.db2.gz NVIBKCLJSBITET-KOLCDFICSA-N 0 3 317.227 1.728 20 10 DDCDHN CN(C)c1ccc(CN2CCC(C(=O)NCCO)CC2)cc1F ZINC000768318564 701168816 /nfs/dbraw/zinc/16/88/16/701168816.db2.gz LHXLCBCNGKHLJL-UHFFFAOYSA-N 0 3 323.412 1.212 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+](C[C@@H]1CCOC1)C1CC1)[C@H](O)CO2 ZINC000768440212 701176915 /nfs/dbraw/zinc/17/69/15/701176915.db2.gz UKZXMSJCANVUKX-MEDUHNTESA-N 0 3 305.374 1.819 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+](C[C@@H]1CCOC1)C1CC1)[C@H](O)CO2 ZINC000768440212 701176916 /nfs/dbraw/zinc/17/69/16/701176916.db2.gz UKZXMSJCANVUKX-MEDUHNTESA-N 0 3 305.374 1.819 20 10 DDCDHN COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768461835 701179035 /nfs/dbraw/zinc/17/90/35/701179035.db2.gz FZIHJQSAJBGQOH-RISCZKNCSA-N 0 3 307.346 1.346 20 10 DDCDHN COC(=O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768461835 701179036 /nfs/dbraw/zinc/17/90/36/701179036.db2.gz FZIHJQSAJBGQOH-RISCZKNCSA-N 0 3 307.346 1.346 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2=O)c2c1c(F)ccc2[O-] ZINC000818362066 702640086 /nfs/dbraw/zinc/64/00/86/702640086.db2.gz PBKYLCHHYNIYCG-IEBDPFPHSA-N 0 3 306.337 1.817 20 10 DDCDHN Cc1cc(C(=O)NC[C@H]2CNCCO2)c(C)n1-c1ccccn1 ZINC000842511632 702730214 /nfs/dbraw/zinc/73/02/14/702730214.db2.gz YXLYDTXPNQZGPI-CQSZACIVSA-N 0 3 314.389 1.207 20 10 DDCDHN CO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000842907487 702789841 /nfs/dbraw/zinc/78/98/41/702789841.db2.gz FZTBORKGWHBJCK-SRCQZFHVSA-N 0 3 324.396 1.727 20 10 DDCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1)c1ccccc1[O-] ZINC000879649191 706749516 /nfs/dbraw/zinc/74/95/16/706749516.db2.gz NOAZPPBVMVTMIK-AGIUHOORSA-N 0 3 319.405 1.155 20 10 DDCDHN C[C@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1ccccc1[O-] ZINC000879650998 706749714 /nfs/dbraw/zinc/74/97/14/706749714.db2.gz CLJATLYKNPWQNV-NSHDSACASA-N 0 3 305.378 1.811 20 10 DDCDHN COC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000879653988 706750201 /nfs/dbraw/zinc/75/02/01/706750201.db2.gz ZVXFAHXJJYAADD-LBPRGKRZSA-N 0 3 320.389 1.454 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850347932 703725868 /nfs/dbraw/zinc/72/58/68/703725868.db2.gz AWJRDHDCRABCBL-FQEVSTJZSA-N 0 3 311.325 1.801 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2C[C@H]3COC[C@@]3(C)C2)cc1 ZINC000852534115 704069771 /nfs/dbraw/zinc/06/97/71/704069771.db2.gz GZNTWCURHKRTPO-MAUKXSAKSA-N 0 3 317.433 1.337 20 10 DDCDHN Cc1ccc(O)c(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000858191961 704676105 /nfs/dbraw/zinc/67/61/05/704676105.db2.gz CSYPDELRLNGYIY-LSDHHAIUSA-N 0 3 319.405 1.363 20 10 DDCDHN CN1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]21 ZINC000823366035 705222637 /nfs/dbraw/zinc/22/26/37/705222637.db2.gz UMPRYFPISLFQCQ-YPMHNXCESA-N 0 3 301.350 1.625 20 10 DDCDHN Cc1cc(Br)cc(C[NH+](CCO)CCO)c1[O-] ZINC000862430246 705716456 /nfs/dbraw/zinc/71/64/56/705716456.db2.gz RWWYQGIYGFQTNZ-UHFFFAOYSA-N 0 3 304.184 1.250 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000877158909 706002243 /nfs/dbraw/zinc/00/22/43/706002243.db2.gz OIZCMIXZRPAQCL-TZMCWYRMSA-N 0 3 312.435 1.508 20 10 DDCDHN O=C(CNCc1ccc(N2CCC(O)CC2)cc1)NCC1CC1 ZINC000877167471 706004436 /nfs/dbraw/zinc/00/44/36/706004436.db2.gz YWLNGTQLYXKWAE-UHFFFAOYSA-N 0 3 317.433 1.264 20 10 DDCDHN COc1ccc(O)c(CNC[C@@H](n2cncn2)C(F)(F)F)c1 ZINC000877674857 706176694 /nfs/dbraw/zinc/17/66/94/706176694.db2.gz NWXFQIUJXYCPIP-GFCCVEGCSA-N 0 3 316.283 1.886 20 10 DDCDHN CCOc1ccc(C[NH2+]C[C@]23COC(=O)N2CCOC3)c([O-])c1 ZINC000865770677 706521875 /nfs/dbraw/zinc/52/18/75/706521875.db2.gz UNRVZTLTGDJCNU-INIZCTEOSA-N 0 3 322.361 1.102 20 10 DDCDHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(OC)cc2O)C1(C)C ZINC000832177645 706862024 /nfs/dbraw/zinc/86/20/24/706862024.db2.gz CTHDFEWRUFQQEP-YOEHRIQHSA-N 0 3 322.405 1.550 20 10 DDCDHN CN(C)c1ccc(C[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC000898158777 708560705 /nfs/dbraw/zinc/56/07/05/708560705.db2.gz FDGRZFHGNLFHPI-AWEZNQCLSA-N 0 3 313.405 1.617 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)NC/C=C/CO)N(C)C)cc1 ZINC000899098841 708982622 /nfs/dbraw/zinc/98/26/22/708982622.db2.gz SYAOGSOCNPFTRW-SQRWCISFSA-N 0 3 320.437 1.203 20 10 DDCDHN COCCN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102499 708983466 /nfs/dbraw/zinc/98/34/66/708983466.db2.gz QAXUHHXVRJGRME-MRXNPFEDSA-N 0 3 322.453 1.643 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)NCCCCO)N(C)C)cc1 ZINC000899101912 708983685 /nfs/dbraw/zinc/98/36/85/708983685.db2.gz JCZGFSQGCZGOTD-INIZCTEOSA-N 0 3 322.453 1.427 20 10 DDCDHN CN(C)CCn1nccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000899982775 709258014 /nfs/dbraw/zinc/25/80/14/709258014.db2.gz KQLKETOVWXMYRT-UHFFFAOYSA-N 0 3 315.421 1.441 20 10 DDCDHN COCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891247554 710140419 /nfs/dbraw/zinc/14/04/19/710140419.db2.gz IDMZADLUOLLSNI-INIZCTEOSA-N 0 3 319.449 1.898 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000914220018 713361456 /nfs/dbraw/zinc/36/14/56/713361456.db2.gz HDPBNSSCINVTJO-UONOGXRCSA-N 0 3 307.369 1.957 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000914220018 713361457 /nfs/dbraw/zinc/36/14/57/713361457.db2.gz HDPBNSSCINVTJO-UONOGXRCSA-N 0 3 307.369 1.957 20 10 DDCDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C ZINC000919908845 713641646 /nfs/dbraw/zinc/64/16/46/713641646.db2.gz KMVYLTQBYOCIFE-RHSMWYFYSA-N 0 3 314.433 1.955 20 10 DDCDHN CN(C)C[C@@H]1NC(=O)N(Cc2ccc(N3CC=CC3)cc2)C1=O ZINC000924683785 714639365 /nfs/dbraw/zinc/63/93/65/714639365.db2.gz ICEKBVBEQYWAKT-HNNXBMFYSA-N 0 3 314.389 1.045 20 10 DDCDHN COc1ccc(N2CC[C@H](N[C@H]3C(=O)NCC3(C)C)C2)cc1 ZINC000926679953 715111931 /nfs/dbraw/zinc/11/19/31/715111931.db2.gz HOUVSRWJHAIKDA-WFASDCNBSA-N 0 3 303.406 1.388 20 10 DDCDHN COC1(OC)CC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000926723907 715118720 /nfs/dbraw/zinc/11/87/20/715118720.db2.gz GNXALCLMFBATQA-KRWDZBQOSA-N 0 3 320.433 1.889 20 10 DDCDHN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1ccc(N)cc1 ZINC001120263019 781841547 /nfs/dbraw/zinc/84/15/47/781841547.db2.gz HMBUENVMSUUBOY-HNNXBMFYSA-N 0 3 311.451 1.563 20 10 DDCDHN OC1CCN(c2ccc(CN3CC[C@H](F)[C@@H](O)C3)cc2)CC1 ZINC001140283391 860611684 /nfs/dbraw/zinc/61/16/84/860611684.db2.gz RUGDBVKZCVFXDJ-IRXDYDNUSA-N 0 3 308.397 1.552 20 10 DDCDHN COc1cc(O)c(CN2CCC3(COC(=O)N3)CC2)c(OC)c1 ZINC001141030812 860766743 /nfs/dbraw/zinc/76/67/43/860766743.db2.gz MFBOJGVZBDMBIA-UHFFFAOYSA-N 0 3 322.361 1.484 20 10 DDCDHN COc1cc([O-])c(C[NH+]2CCC3(COC(=O)N3)CC2)c(OC)c1 ZINC001141030812 860766749 /nfs/dbraw/zinc/76/67/49/860766749.db2.gz MFBOJGVZBDMBIA-UHFFFAOYSA-N 0 3 322.361 1.484 20 10 DDCDHN COc1ccc(N(C)CCN(C)CCOC(=O)N(C)C)cc1 ZINC001332537444 865916647 /nfs/dbraw/zinc/91/66/47/865916647.db2.gz COUYXFFURVECQX-UHFFFAOYSA-N 0 3 309.410 1.761 20 10 DDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001204273977 871032704 /nfs/dbraw/zinc/03/27/04/871032704.db2.gz XCCYQRBFKKXUCE-KRWDZBQOSA-N 0 3 312.373 1.743 20 10 DDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001204273977 871032722 /nfs/dbraw/zinc/03/27/22/871032722.db2.gz XCCYQRBFKKXUCE-KRWDZBQOSA-N 0 3 312.373 1.743 20 10 DDCDHN COc1cc([O-])c(CN2C[C@@H](F)[C@@H]([NH3+])C2)cc1Br ZINC001204836388 871254146 /nfs/dbraw/zinc/25/41/46/871254146.db2.gz FMOZSPBRZILHKU-ZJUUUORDSA-N 0 3 319.174 1.644 20 10 DDCDHN CCNC(=O)OC1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231639606 885778259 /nfs/dbraw/zinc/77/82/59/885778259.db2.gz WQXQZRRFYUSHDI-UHFFFAOYSA-N 0 3 324.377 1.817 20 10 DDCDHN COCCCCN1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233016218 886730551 /nfs/dbraw/zinc/73/05/51/886730551.db2.gz PEFYQMYFLGTECO-UHFFFAOYSA-N 0 3 310.394 1.348 20 10 DDCDHN CN1C(=O)CCC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001233487635 887023405 /nfs/dbraw/zinc/02/34/05/887023405.db2.gz MFIKUWDKWPNTQE-UHFFFAOYSA-N 0 3 306.362 1.390 20 10 DDCDHN COc1cc(CN2CCC3(COC(=O)N3)CC2)c(O)c(OC)c1 ZINC001237677351 889800471 /nfs/dbraw/zinc/80/04/71/889800471.db2.gz ARYAPFQOYOFZRJ-UHFFFAOYSA-N 0 3 322.361 1.484 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@]23CCOC3)c([O-])c1 ZINC001249208189 893865984 /nfs/dbraw/zinc/86/59/84/893865984.db2.gz PBCZRPRBOGKOQZ-QGZVFWFLSA-N 0 3 305.374 1.863 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@]23CCOC3)c([O-])c1 ZINC001249208189 893865996 /nfs/dbraw/zinc/86/59/96/893865996.db2.gz PBCZRPRBOGKOQZ-QGZVFWFLSA-N 0 3 305.374 1.863 20 10 DDCDHN COc1cccc(OC[C@H](O)C[NH2+]Cc2ccc(O)cc2[O-])c1 ZINC001253979584 896197249 /nfs/dbraw/zinc/19/72/49/896197249.db2.gz MMLDPFVZHKYFGC-CQSZACIVSA-N 0 3 319.357 1.636 20 10 DDCDHN CCN1CCN([C@H]2CC[N@H+](Cc3cccc(F)c3[O-])C2)CC1 ZINC000272297505 130016981 /nfs/dbraw/zinc/01/69/81/130016981.db2.gz PCSXCOZIUBTMIL-HNNXBMFYSA-N 0 3 307.413 1.743 20 10 DDCDHN CCN1CCN([C@H]2CC[N@@H+](Cc3cccc(F)c3[O-])C2)CC1 ZINC000272297505 130016982 /nfs/dbraw/zinc/01/69/82/130016982.db2.gz PCSXCOZIUBTMIL-HNNXBMFYSA-N 0 3 307.413 1.743 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000284087222 131047967 /nfs/dbraw/zinc/04/79/67/131047967.db2.gz LTIQBWRDGWKRII-VXGBXAGGSA-N 0 3 313.419 1.876 20 10 DDCDHN CCN(CC)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000073153940 406889200 /nfs/dbraw/zinc/88/92/00/406889200.db2.gz MRXWKURVILMJOJ-UHFFFAOYSA-N 0 3 319.449 1.823 20 10 DDCDHN CCN(CCC[NH2+][C@@H](C)c1ccccc1[O-])S(C)(=O)=O ZINC000038035431 406997657 /nfs/dbraw/zinc/99/76/57/406997657.db2.gz XASUPGMCXQEXBZ-LBPRGKRZSA-N 0 3 300.424 1.714 20 10 DDCDHN COc1cc(O)c(CN(C)CCc2cnccn2)cc1OC ZINC000271273143 407608329 /nfs/dbraw/zinc/60/83/29/407608329.db2.gz OBUVSBJLDMYYAD-UHFFFAOYSA-N 0 3 303.362 1.874 20 10 DDCDHN COc1cc([O-])c(C[N@H+](C)CCc2cnccn2)cc1OC ZINC000271273143 407608332 /nfs/dbraw/zinc/60/83/32/407608332.db2.gz OBUVSBJLDMYYAD-UHFFFAOYSA-N 0 3 303.362 1.874 20 10 DDCDHN COc1cc([O-])c(C[N@@H+](C)CCc2cnccn2)cc1OC ZINC000271273143 407608338 /nfs/dbraw/zinc/60/83/38/407608338.db2.gz OBUVSBJLDMYYAD-UHFFFAOYSA-N 0 3 303.362 1.874 20 10 DDCDHN Cn1ncc2c1ncnc2N1CCN(Cc2ccccc2O)CC1 ZINC000179555338 407805712 /nfs/dbraw/zinc/80/57/12/407805712.db2.gz QSPASWRFRHVHAB-UHFFFAOYSA-N 0 3 324.388 1.391 20 10 DDCDHN Cc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1 ZINC000179690904 407821154 /nfs/dbraw/zinc/82/11/54/407821154.db2.gz YVFSZQJIAPXQAR-UHFFFAOYSA-N 0 3 318.417 1.771 20 10 DDCDHN CCN1CCN(CCCNC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000177671915 408683256 /nfs/dbraw/zinc/68/32/56/408683256.db2.gz KXAQKKCLAMSPDN-UHFFFAOYSA-N 0 3 321.421 1.164 20 10 DDCDHN CON(C)C(=O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000291165582 408861034 /nfs/dbraw/zinc/86/10/34/408861034.db2.gz RDVAQYRFTFARQL-UHFFFAOYSA-N 0 3 322.361 1.353 20 10 DDCDHN O=S1(=O)CCCN1[C@H]1CCCN(Cc2ccccc2O)C1 ZINC000279441848 409215546 /nfs/dbraw/zinc/21/55/46/409215546.db2.gz PIONCFDCXZYSON-AWEZNQCLSA-N 0 3 310.419 1.392 20 10 DDCDHN CS(=O)(=O)C1(CNCc2cc3c(cc2O)OCO3)CCC1 ZINC000279913556 409253520 /nfs/dbraw/zinc/25/35/20/409253520.db2.gz WVXWABMIRSEXMV-UHFFFAOYSA-N 0 3 313.375 1.178 20 10 DDCDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296563695 409621444 /nfs/dbraw/zinc/62/14/44/409621444.db2.gz UNKMCIXIFGUVAX-GDBMZVCRSA-N 0 3 303.450 1.995 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CN(C3CC3)CCO1)OCO2 ZINC000369085240 418729139 /nfs/dbraw/zinc/72/91/39/418729139.db2.gz QZYFXAUGDOURLF-CYBMUJFWSA-N 0 3 306.362 1.074 20 10 DDCDHN O=C1OCCC12CCN(Cc1cc3c(cc1O)OCO3)CC2 ZINC000370067138 418740993 /nfs/dbraw/zinc/74/09/93/418740993.db2.gz LXFGKQJINLYPQO-UHFFFAOYSA-N 0 3 305.330 1.650 20 10 DDCDHN C[C@@H]1C[C@@H]1N1C[C@H](NCc2cc3c(cc2O)OCO3)CC1=O ZINC000363264577 418763772 /nfs/dbraw/zinc/76/37/72/418763772.db2.gz OUHZXWXKMLSXBT-JLLWLGSASA-N 0 3 304.346 1.220 20 10 DDCDHN CN(C)[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)C1 ZINC000372448077 418871475 /nfs/dbraw/zinc/87/14/75/418871475.db2.gz VQXJAIHQLFXQQB-OAHLLOKOSA-N 0 3 302.422 1.524 20 10 DDCDHN Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[O-] ZINC000373190920 418931509 /nfs/dbraw/zinc/93/15/09/418931509.db2.gz OZXMJAKFUITHHK-SUMWQHHRSA-N 0 3 317.389 1.511 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c1 ZINC000375358399 337009207 /nfs/dbraw/zinc/00/92/07/337009207.db2.gz YXKCCAAEDGWHKN-QGZVFWFLSA-N 0 3 304.390 1.845 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c1 ZINC000375358399 337009208 /nfs/dbraw/zinc/00/92/08/337009208.db2.gz YXKCCAAEDGWHKN-QGZVFWFLSA-N 0 3 304.390 1.845 20 10 DDCDHN CCN1CCN([C@@H]2CC[N@H+](Cc3cccc(C)c3[O-])C2)CC1 ZINC000180068944 521692983 /nfs/dbraw/zinc/69/29/83/521692983.db2.gz ICODWVLAJXKUDB-QGZVFWFLSA-N 0 3 303.450 1.912 20 10 DDCDHN CCN1CCN([C@@H]2CC[N@@H+](Cc3cccc(C)c3[O-])C2)CC1 ZINC000180068944 521692985 /nfs/dbraw/zinc/69/29/85/521692985.db2.gz ICODWVLAJXKUDB-QGZVFWFLSA-N 0 3 303.450 1.912 20 10 DDCDHN C[C@@H](NCC(=O)NCC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000181259695 525409528 /nfs/dbraw/zinc/40/95/28/525409528.db2.gz IBIWCGPMQJAMNS-CQSZACIVSA-N 0 3 317.433 1.700 20 10 DDCDHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272284753 536889504 /nfs/dbraw/zinc/88/95/04/536889504.db2.gz NHQPUZYHKCPMDN-OLZOCXBDSA-N 0 3 324.396 1.894 20 10 DDCDHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000272284753 536889507 /nfs/dbraw/zinc/88/95/07/536889507.db2.gz NHQPUZYHKCPMDN-OLZOCXBDSA-N 0 3 324.396 1.894 20 10 DDCDHN COc1ccc(N2CCN(C(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC000119504561 696681579 /nfs/dbraw/zinc/68/15/79/696681579.db2.gz MVPIWFHNJPUTML-UHFFFAOYSA-N 0 3 317.433 1.828 20 10 DDCDHN c1cc(N2CCOCC2)ccc1CN1CCN(C2CC2)CC1 ZINC000127908641 696775057 /nfs/dbraw/zinc/77/50/57/696775057.db2.gz YPWOVMZKRYOKRZ-UHFFFAOYSA-N 0 3 301.434 1.803 20 10 DDCDHN CNS(=O)(=O)[C@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000160468115 697317748 /nfs/dbraw/zinc/31/77/48/697317748.db2.gz GXXHYZHGLRDLOT-HNNXBMFYSA-N 0 3 324.446 1.395 20 10 DDCDHN CCN(C)c1ccc(CN(CCO)CCN2CCOCC2)cc1 ZINC000773752390 697801371 /nfs/dbraw/zinc/80/13/71/697801371.db2.gz ACWOYHCBNHDHPX-UHFFFAOYSA-N 0 3 321.465 1.269 20 10 DDCDHN COCCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774479590 697883972 /nfs/dbraw/zinc/88/39/72/697883972.db2.gz PUFRMHHIKDENOI-ZIAGYGMSSA-N 0 3 307.438 1.944 20 10 DDCDHN COC(=O)CN(Cc1ccc(N2CCN(C)CC2)cc1)C(C)C ZINC000775656392 698019743 /nfs/dbraw/zinc/01/97/43/698019743.db2.gz GMQOOCQZGAGCHC-UHFFFAOYSA-N 0 3 319.449 1.822 20 10 DDCDHN COC(=O)CCNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775829957 698042506 /nfs/dbraw/zinc/04/25/06/698042506.db2.gz BRVCHYMIUAEYOV-GFCCVEGCSA-N 0 3 307.394 1.083 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)c2c1c(F)ccc2[O-] ZINC000779049325 698392508 /nfs/dbraw/zinc/39/25/08/698392508.db2.gz GQMWHCPALAGXFO-SCZZXKLOSA-N 0 3 307.325 1.221 20 10 DDCDHN COc1cc(O)c(CN(C)CCNC(=O)N(C)C)cc1OC ZINC000779431643 698422979 /nfs/dbraw/zinc/42/29/79/698422979.db2.gz AMTUDHBYOBXYLI-UHFFFAOYSA-N 0 3 311.382 1.112 20 10 DDCDHN CNS(=O)(=O)CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000784053230 698905713 /nfs/dbraw/zinc/90/57/13/698905713.db2.gz YZIAZAYTIUJSKK-SCZZXKLOSA-N 0 3 302.371 1.218 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](N)C1CCC1 ZINC000399219474 699122497 /nfs/dbraw/zinc/12/24/97/699122497.db2.gz KENQPPOEZBOLEO-KRWDZBQOSA-N 0 3 317.433 1.609 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CNC[C@H]2CCCO2)cc1 ZINC000727057254 699397046 /nfs/dbraw/zinc/39/70/46/699397046.db2.gz HLEGWNNHHICACR-MRXNPFEDSA-N 0 3 305.422 1.480 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC3(COC(=O)N3)CC2)c([O-])c1 ZINC000753588308 700444879 /nfs/dbraw/zinc/44/48/79/700444879.db2.gz UCIAWBFZMMMXIP-UHFFFAOYSA-N 0 3 306.362 1.865 20 10 DDCDHN C[C@@H](CC(N)=O)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000765791287 701027559 /nfs/dbraw/zinc/02/75/59/701027559.db2.gz PBWQNEKMFAMZNM-LBPRGKRZSA-N 0 3 320.393 1.939 20 10 DDCDHN COC(=O)[C@H](C)C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768450254 701178025 /nfs/dbraw/zinc/17/80/25/701178025.db2.gz JHTHVPHGLPAHIP-MEBBXXQBSA-N 0 3 321.373 1.592 20 10 DDCDHN COC(=O)[C@H](C)C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768450254 701178027 /nfs/dbraw/zinc/17/80/27/701178027.db2.gz JHTHVPHGLPAHIP-MEBBXXQBSA-N 0 3 321.373 1.592 20 10 DDCDHN CCOc1cccc(CN2CCN(CCCCO)CC2)c1O ZINC000769393991 701243455 /nfs/dbraw/zinc/24/34/55/701243455.db2.gz GWYNBEDNIXWCON-UHFFFAOYSA-N 0 3 308.422 1.681 20 10 DDCDHN CCOc1cccc(CN2CCN(C(C)(C)CO)CC2)c1O ZINC000769446744 701245174 /nfs/dbraw/zinc/24/51/74/701245174.db2.gz UCBQHXSMSUOEHA-UHFFFAOYSA-N 0 3 308.422 1.679 20 10 DDCDHN COCCNC(=O)C1(N[C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000840822733 702249247 /nfs/dbraw/zinc/24/92/47/702249247.db2.gz PZTXAUFRDYYRNJ-CYBMUJFWSA-N 0 3 306.406 1.955 20 10 DDCDHN C[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)N1CCC[C@H](C)C1 ZINC000841007478 702308380 /nfs/dbraw/zinc/30/83/80/702308380.db2.gz OGGAHFKKCDPRNG-QWHCGFSZSA-N 0 3 318.421 1.444 20 10 DDCDHN Oc1cc2c(cc1CN1CC[C@H](Nc3ncccn3)C1)OCO2 ZINC000842614770 702742216 /nfs/dbraw/zinc/74/22/16/702742216.db2.gz FHUKOSOLPNRKOI-LBPRGKRZSA-N 0 3 314.345 1.597 20 10 DDCDHN CN(C)c1ccc(CN2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC000843065212 702812036 /nfs/dbraw/zinc/81/20/36/702812036.db2.gz KIILLRMKHYMQMX-KRWDZBQOSA-N 0 3 316.449 1.149 20 10 DDCDHN C[C@@H]1CC[C@@H](NCc2cc3c(cc2O)OCO3)CS1(=O)=O ZINC000850368037 703727805 /nfs/dbraw/zinc/72/78/05/703727805.db2.gz HRIXLNMDMGKJQU-MWLCHTKSSA-N 0 3 313.375 1.176 20 10 DDCDHN CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCN(C)C1 ZINC000853244851 704223637 /nfs/dbraw/zinc/22/36/37/704223637.db2.gz QBVWHAYLZVUVAA-MRXNPFEDSA-N 0 3 304.438 1.988 20 10 DDCDHN COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000858540824 704724302 /nfs/dbraw/zinc/72/43/02/704724302.db2.gz BEWVNJSKLHIWEO-SNVBAGLBSA-N 0 3 312.341 1.251 20 10 DDCDHN COc1cc(CN2C[C@@H](O)[C@H](OC)C2)c(O)c(C(C)(C)C)c1 ZINC000826083195 705770689 /nfs/dbraw/zinc/77/06/89/705770689.db2.gz AGGXGKOVYWCWGE-HUUCEWRRSA-N 0 3 309.406 1.890 20 10 DDCDHN Cc1ccc(CN2CCN(C(=O)CN3CCCC3)CC2)c(O)c1 ZINC000876684736 705818483 /nfs/dbraw/zinc/81/84/83/705818483.db2.gz ILGYRGPOAMEIAX-UHFFFAOYSA-N 0 3 317.433 1.441 20 10 DDCDHN CCOc1ccc(O)c(CN2CCN(c3nccn3C)CC2)c1 ZINC000827891286 706082881 /nfs/dbraw/zinc/08/28/81/706082881.db2.gz GLNMKVWGTRGTEQ-UHFFFAOYSA-N 0 3 316.405 1.847 20 10 DDCDHN CNS(=O)(=O)CCC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000877689101 706179594 /nfs/dbraw/zinc/17/95/94/706179594.db2.gz MXIAZKVTVRDMOZ-UHFFFAOYSA-N 0 3 306.815 1.383 20 10 DDCDHN C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCN1CCO ZINC000835044959 707161673 /nfs/dbraw/zinc/16/16/73/707161673.db2.gz DYNFPGKJGIZSLF-DWTRPJMMSA-N 0 3 303.450 1.764 20 10 DDCDHN CC[NH+](CC)CC[C@H](CO)NCc1cc(F)cc(F)c1[O-] ZINC000883160652 707943943 /nfs/dbraw/zinc/94/39/43/707943943.db2.gz WXGVNFYRZAUKAE-CYBMUJFWSA-N 0 3 302.365 1.853 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2C[C@@H](O)C2)N(C)C)cc1 ZINC000891245596 710140077 /nfs/dbraw/zinc/14/00/77/710140077.db2.gz HIXOPLPAHFHBID-VNQPRFMTSA-N 0 3 305.422 1.242 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H](O)C2CC2)N(C)C)cc1 ZINC000891249704 710141932 /nfs/dbraw/zinc/14/19/32/710141932.db2.gz SEHYZIDRSLWGNH-HZPDHXFCSA-N 0 3 305.422 1.242 20 10 DDCDHN CC(=O)OC[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000892621501 710471329 /nfs/dbraw/zinc/47/13/29/710471329.db2.gz JQCNSBZBOYTWLM-LBPRGKRZSA-N 0 3 310.369 1.704 20 10 DDCDHN COc1ccc(CN[C@@H](C)C(=O)NC(C)(C)C)c(O)c1OC ZINC000892681742 710481133 /nfs/dbraw/zinc/48/11/33/710481133.db2.gz NMONNVUNVQXDLD-JTQLQIEISA-N 0 3 310.394 1.802 20 10 DDCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000902420374 710748431 /nfs/dbraw/zinc/74/84/31/710748431.db2.gz LXAXUAPDGDSSAV-HZMBPMFUSA-N 0 3 307.346 1.203 20 10 DDCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000902420374 710748434 /nfs/dbraw/zinc/74/84/34/710748434.db2.gz LXAXUAPDGDSSAV-HZMBPMFUSA-N 0 3 307.346 1.203 20 10 DDCDHN O=S(=O)(CC[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCCC1 ZINC000903291045 711090564 /nfs/dbraw/zinc/09/05/64/711090564.db2.gz MRTUTPZCNRWGEA-CYBMUJFWSA-N 0 3 310.419 1.395 20 10 DDCDHN COc1cc(C)cc(CN[C@@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000894969886 711344217 /nfs/dbraw/zinc/34/42/17/711344217.db2.gz RURUMAWGAJIVLN-ZIAGYGMSSA-N 0 3 304.390 1.952 20 10 DDCDHN CO[C@@H](C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895738656 711591274 /nfs/dbraw/zinc/59/12/74/711591274.db2.gz OIXGUVWSBXGGIX-XJKSGUPXSA-N 0 3 322.453 1.689 20 10 DDCDHN COCCC[N@H+](C)CCNC(=O)NCc1c([O-])cccc1F ZINC000920421444 713668278 /nfs/dbraw/zinc/66/82/78/713668278.db2.gz OIEGGYREXPHFGT-UHFFFAOYSA-N 0 3 313.373 1.299 20 10 DDCDHN COCCC[N@@H+](C)CCNC(=O)NCc1c([O-])cccc1F ZINC000920421444 713668280 /nfs/dbraw/zinc/66/82/80/713668280.db2.gz OIEGGYREXPHFGT-UHFFFAOYSA-N 0 3 313.373 1.299 20 10 DDCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)C1(O)CCC1)C[C@H]1CCCO1 ZINC000929971578 713725137 /nfs/dbraw/zinc/72/51/37/713725137.db2.gz PIINYIKGVXXHNL-NVXWUHKLSA-N 0 3 321.417 1.649 20 10 DDCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)C1(O)CCC1)C[C@H]1CCCO1 ZINC000929971578 713725139 /nfs/dbraw/zinc/72/51/39/713725139.db2.gz PIINYIKGVXXHNL-NVXWUHKLSA-N 0 3 321.417 1.649 20 10 DDCDHN Cc1cnn([C@H]2[C@H](NCc3ccc4c(c3)CCCO4)C[C@@H]2O)c1 ZINC000922252220 714002228 /nfs/dbraw/zinc/00/22/28/714002228.db2.gz DMQBNBAKOLIDFM-RYRKJORJSA-N 0 3 313.401 1.981 20 10 DDCDHN CCN(C)c1ccc(CN2CCC(OC)(OC)[C@H](O)C2)cc1 ZINC000931636812 714145413 /nfs/dbraw/zinc/14/54/13/714145413.db2.gz YPMUARTZYVNFOA-MRXNPFEDSA-N 0 3 308.422 1.698 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(O)CCN(C)CC1 ZINC001182031390 743443829 /nfs/dbraw/zinc/44/38/29/743443829.db2.gz AEKCWERYERJXKQ-UHFFFAOYSA-N 0 3 319.449 1.558 20 10 DDCDHN CNC(=O)CC[N@H+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233755126 846109241 /nfs/dbraw/zinc/10/92/41/846109241.db2.gz QGZAQFPHZCIZSW-UHFFFAOYSA-N 0 3 306.284 1.859 20 10 DDCDHN CNC(=O)CC[N@@H+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233755126 846109245 /nfs/dbraw/zinc/10/92/45/846109245.db2.gz QGZAQFPHZCIZSW-UHFFFAOYSA-N 0 3 306.284 1.859 20 10 DDCDHN COc1cc(CN2CC[C@]3(CCN(C)C3=O)C2)cc(O)c1O ZINC001272988716 847750225 /nfs/dbraw/zinc/75/02/25/847750225.db2.gz VQKFBCOEJZCDLR-MRXNPFEDSA-N 0 3 306.362 1.161 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])CC[C@H]21 ZINC001140063281 860567977 /nfs/dbraw/zinc/56/79/77/860567977.db2.gz PUBBNBAXTZUGIE-WBVHZDCISA-N 0 3 322.380 1.743 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])CC[C@H]21 ZINC001140063281 860567985 /nfs/dbraw/zinc/56/79/85/860567985.db2.gz PUBBNBAXTZUGIE-WBVHZDCISA-N 0 3 322.380 1.743 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c(OC)c1 ZINC001141026140 860765240 /nfs/dbraw/zinc/76/52/40/860765240.db2.gz FSZQFOBFQAZDFY-INIZCTEOSA-N 0 3 306.362 1.121 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@]3(CCNC3=O)C2)c(OC)c1 ZINC001141026140 860765247 /nfs/dbraw/zinc/76/52/47/860765247.db2.gz FSZQFOBFQAZDFY-INIZCTEOSA-N 0 3 306.362 1.121 20 10 DDCDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[C@H]1O ZINC001321504961 867634648 /nfs/dbraw/zinc/63/46/48/867634648.db2.gz OLJJORFPAMNIEK-RDTXWAMCSA-N 0 3 321.440 1.780 20 10 DDCDHN CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(N)cc2)C1 ZINC001336118009 868742695 /nfs/dbraw/zinc/74/26/95/868742695.db2.gz UZMLJKRDQOBGGA-CYBMUJFWSA-N 0 3 301.312 1.769 20 10 DDCDHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(O)c(O)c2)C1 ZINC001203875813 870811247 /nfs/dbraw/zinc/81/12/47/870811247.db2.gz WDNZDIYRFKBVJP-UONOGXRCSA-N 0 3 312.369 1.879 20 10 DDCDHN CN1C[C@@H](CN(Cc2ccccc2O)C[C@@H]2CCCO2)OC1=O ZINC001347643127 874225108 /nfs/dbraw/zinc/22/51/08/874225108.db2.gz PJOPBXKSRYBEQB-GJZGRUSLSA-N 0 3 320.389 1.824 20 10 DDCDHN [O-]c1c(CN2CC[NH+](CCCO)CC2)cccc1C(F)(F)F ZINC001233416832 886985630 /nfs/dbraw/zinc/98/56/30/886985630.db2.gz YCDOSMWAEIUBER-UHFFFAOYSA-N 0 3 318.339 1.911 20 10 DDCDHN CC(C)(C(N)=O)C1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233486048 887018902 /nfs/dbraw/zinc/01/89/02/887018902.db2.gz WBBSTHDGPCXJBI-UHFFFAOYSA-N 0 3 308.378 1.527 20 10 DDCDHN NC(=O)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236927152 889425210 /nfs/dbraw/zinc/42/52/10/889425210.db2.gz MLJCRCUXSFUHIQ-CYBMUJFWSA-N 0 3 323.824 1.484 20 10 DDCDHN O=C1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CCN1 ZINC001237051113 889481851 /nfs/dbraw/zinc/48/18/51/889481851.db2.gz HLRWCGUIKJBVDL-UHFFFAOYSA-N 0 3 318.295 1.655 20 10 DDCDHN O=C1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CCN1 ZINC001237051113 889481863 /nfs/dbraw/zinc/48/18/63/889481863.db2.gz HLRWCGUIKJBVDL-UHFFFAOYSA-N 0 3 318.295 1.655 20 10 DDCDHN C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C[C@@H](O)CO ZINC001237052810 889483665 /nfs/dbraw/zinc/48/36/65/889483665.db2.gz VJCIFTXDKDXDGH-SNVBAGLBSA-N 0 3 309.284 1.118 20 10 DDCDHN C[N@H+](Cc1ccc(OCC(F)(F)F)cc1[O-])C[C@@H](O)CO ZINC001237052810 889483668 /nfs/dbraw/zinc/48/36/68/889483668.db2.gz VJCIFTXDKDXDGH-SNVBAGLBSA-N 0 3 309.284 1.118 20 10 DDCDHN COc1cc(CN2CCC[C@@H](n3cncn3)C2)c(O)c(OC)c1 ZINC001237678439 889799102 /nfs/dbraw/zinc/79/91/02/889799102.db2.gz OFMAJZRBKKZXPI-CYBMUJFWSA-N 0 3 318.377 1.838 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c([O-])c1 ZINC001249173572 893852527 /nfs/dbraw/zinc/85/25/27/893852527.db2.gz UDQOTIHQXQOTJH-SWLSCSKDSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CO)c([O-])c1 ZINC001249173572 893852543 /nfs/dbraw/zinc/85/25/43/893852543.db2.gz UDQOTIHQXQOTJH-SWLSCSKDSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)CC[N@H+](Cc1ccc(CC(=O)OC)cc1[O-])C1CC1 ZINC001249214697 893873123 /nfs/dbraw/zinc/87/31/23/893873123.db2.gz QSEZVLMYTGHLPO-UHFFFAOYSA-N 0 3 321.373 1.635 20 10 DDCDHN COC(=O)CC[N@@H+](Cc1ccc(CC(=O)OC)cc1[O-])C1CC1 ZINC001249214697 893873136 /nfs/dbraw/zinc/87/31/36/893873136.db2.gz QSEZVLMYTGHLPO-UHFFFAOYSA-N 0 3 321.373 1.635 20 10 DDCDHN CN1CCN(c2ccc(CN3C[C@H]4C[C@@]4(CO)C3)cc2F)CC1 ZINC001255473939 896947953 /nfs/dbraw/zinc/94/79/53/896947953.db2.gz NDUOUCSWLQNBPR-QAPCUYQASA-N 0 3 319.424 1.392 20 10 DDCDHN O=C(N1CCC([NH2+]Cc2ccc(O)cc2[O-])CC1)C(F)(F)F ZINC001255974734 897178811 /nfs/dbraw/zinc/17/88/11/897178811.db2.gz BNKWEVLXGJJQJC-UHFFFAOYSA-N 0 3 318.295 1.741 20 10 DDCDHN CCOc1ccc(O)c(CN2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000092189133 353846465 /nfs/dbraw/zinc/84/64/65/353846465.db2.gz PQXNDVVCCSYUJL-CQSZACIVSA-N 0 3 319.405 1.781 20 10 DDCDHN COc1cccc(C[NH+]2CCC(c3nncn3C)CC2)c1[O-] ZINC000091795362 193109852 /nfs/dbraw/zinc/10/98/52/193109852.db2.gz ZTOQQZFJOSXRHK-UHFFFAOYSA-N 0 3 302.378 1.909 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)S(C)(=O)=O ZINC000298698418 285101254 /nfs/dbraw/zinc/10/12/54/285101254.db2.gz FRFHSDBTQHWPFI-GFCCVEGCSA-N 0 3 312.435 1.534 20 10 DDCDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272712990 130056909 /nfs/dbraw/zinc/05/69/09/130056909.db2.gz YEYVASGWDFJZNG-HSUNPXRSSA-N 0 3 302.374 1.710 20 10 DDCDHN C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccccc1[O-] ZINC000272898579 130072509 /nfs/dbraw/zinc/07/25/09/130072509.db2.gz UQHNLRQPLWCYDI-ZBFHGGJFSA-N 0 3 319.449 1.986 20 10 DDCDHN Cc1cc([O-])c(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1C ZINC000285558674 131180847 /nfs/dbraw/zinc/18/08/47/131180847.db2.gz SIJLEDLGHNFULI-UHFFFAOYSA-N 0 3 317.389 1.619 20 10 DDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1C ZINC000271190325 407567049 /nfs/dbraw/zinc/56/70/49/407567049.db2.gz PFMITKKLKRTKDO-ZDUSSCGKSA-N 0 3 312.435 1.510 20 10 DDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1C ZINC000271190325 407567056 /nfs/dbraw/zinc/56/70/56/407567056.db2.gz PFMITKKLKRTKDO-ZDUSSCGKSA-N 0 3 312.435 1.510 20 10 DDCDHN C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cc(F)ccc1[O-] ZINC000186055042 407569031 /nfs/dbraw/zinc/56/90/31/407569031.db2.gz SWDKTLNJCUETTD-HZMBPMFUSA-N 0 3 318.352 1.721 20 10 DDCDHN CC(C(=O)NCc1ccc2c(c1)CCCN2C)S(C)(=O)=O ZINC000069959961 406795995 /nfs/dbraw/zinc/79/59/95/406795995.db2.gz USDYIRPSXMUHBA-NSHDSACASA-N 0 3 310.419 1.118 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000124505654 407360365 /nfs/dbraw/zinc/36/03/65/407360365.db2.gz RSEHELPADCGPON-HNNXBMFYSA-N 0 3 318.417 1.771 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000124505654 407360367 /nfs/dbraw/zinc/36/03/67/407360367.db2.gz RSEHELPADCGPON-HNNXBMFYSA-N 0 3 318.417 1.771 20 10 DDCDHN CCN(CCC[NH2+]Cc1cc(F)ccc1[O-])S(C)(=O)=O ZINC000226585817 407619195 /nfs/dbraw/zinc/61/91/95/407619195.db2.gz QCMNVNBQIMCVML-UHFFFAOYSA-N 0 3 304.387 1.293 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN(C)C[C@H]2CCOC2)cc1 ZINC000178766167 407593658 /nfs/dbraw/zinc/59/36/58/407593658.db2.gz RLTMLEUYVWLXAT-OAHLLOKOSA-N 0 3 305.422 1.337 20 10 DDCDHN O=C([C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)N1CCOCC1 ZINC000179903195 407843378 /nfs/dbraw/zinc/84/33/78/407843378.db2.gz ATTMOQJDOWYOAI-CYBMUJFWSA-N 0 3 322.380 1.602 20 10 DDCDHN O=C([C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)N1CCOCC1 ZINC000179903195 407843384 /nfs/dbraw/zinc/84/33/84/407843384.db2.gz ATTMOQJDOWYOAI-CYBMUJFWSA-N 0 3 322.380 1.602 20 10 DDCDHN CC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(C)C ZINC000178001791 408754504 /nfs/dbraw/zinc/75/45/04/408754504.db2.gz LYSOXGCCOWFAKI-INIZCTEOSA-N 0 3 305.422 1.684 20 10 DDCDHN [O-]c1cc(F)c(Cl)cc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000294325987 409279668 /nfs/dbraw/zinc/27/96/68/409279668.db2.gz RHVYFEIMVJGUOM-LLVKDONJSA-N 0 3 302.777 1.731 20 10 DDCDHN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000294325987 409279670 /nfs/dbraw/zinc/27/96/70/409279670.db2.gz RHVYFEIMVJGUOM-LLVKDONJSA-N 0 3 302.777 1.731 20 10 DDCDHN COC[C@@]1(C(=O)OC)CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000295110347 409325854 /nfs/dbraw/zinc/32/58/54/409325854.db2.gz UVPVEIXHHCWCHO-QGZVFWFLSA-N 0 3 324.396 1.903 20 10 DDCDHN CO[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000374680850 418555822 /nfs/dbraw/zinc/55/58/22/418555822.db2.gz SFMUDHANFJTUQB-QGZVFWFLSA-N 0 3 319.449 1.870 20 10 DDCDHN NC(=O)[C@@]1(O)CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000367489219 418606314 /nfs/dbraw/zinc/60/63/14/418606314.db2.gz KCOMELXMURCHCO-GOSISDBHSA-N 0 3 317.433 1.489 20 10 DDCDHN C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc(F)ccc1[O-] ZINC000368211079 418705168 /nfs/dbraw/zinc/70/51/68/418705168.db2.gz BTBULRYRJPHUNS-IAQYHMDHSA-N 0 3 322.380 1.962 20 10 DDCDHN COc1ccc(O)c([C@H](C)N2CC[C@H]3OCC(=O)N[C@H]3C2)c1 ZINC000377701453 418713480 /nfs/dbraw/zinc/71/34/80/418713480.db2.gz PHLVKQIVJLASDY-VZJVUDMVSA-N 0 3 306.362 1.051 20 10 DDCDHN CCOc1ccc(O)c(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1 ZINC000377837273 418716332 /nfs/dbraw/zinc/71/63/32/418716332.db2.gz KUDMPHAXGLCNII-LNSITVRQSA-N 0 3 304.390 1.890 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2)c1 ZINC000371716050 418811837 /nfs/dbraw/zinc/81/18/37/418811837.db2.gz USDYEYZQHOONSF-AWEZNQCLSA-N 0 3 316.405 1.893 20 10 DDCDHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cccc(OC)c1O ZINC000372280783 418850660 /nfs/dbraw/zinc/85/06/60/418850660.db2.gz GBUBKXGEFIRWNV-ZIAGYGMSSA-N 0 3 323.389 1.943 20 10 DDCDHN CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](CC)c2ccccc2[O-])C1 ZINC000368796863 520044431 /nfs/dbraw/zinc/04/44/31/520044431.db2.gz LHMSXLUWLQKXNU-TZMCWYRMSA-N 0 3 312.435 1.857 20 10 DDCDHN CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](CC)c2ccccc2[O-])C1 ZINC000368796863 520044435 /nfs/dbraw/zinc/04/44/35/520044435.db2.gz LHMSXLUWLQKXNU-TZMCWYRMSA-N 0 3 312.435 1.857 20 10 DDCDHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000271352521 536890020 /nfs/dbraw/zinc/89/00/20/536890020.db2.gz LQWVAOBRVBTDPT-HIFRSBDPSA-N 0 3 306.406 1.755 20 10 DDCDHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000271352521 536890023 /nfs/dbraw/zinc/89/00/23/536890023.db2.gz LQWVAOBRVBTDPT-HIFRSBDPSA-N 0 3 306.406 1.755 20 10 DDCDHN C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000783523733 698847415 /nfs/dbraw/zinc/84/74/15/698847415.db2.gz JONOZIOCYZNRHL-HUBLWGQQSA-N 0 3 314.389 1.970 20 10 DDCDHN O=C(NCc1ccccc1O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000729606394 699483227 /nfs/dbraw/zinc/48/32/27/699483227.db2.gz RDJHMEGICBYPIC-KGLIPLIRSA-N 0 3 305.378 1.055 20 10 DDCDHN COC[C@@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000793323912 699750201 /nfs/dbraw/zinc/75/02/01/699750201.db2.gz GEZDLMSKDWJJQU-SNVBAGLBSA-N 0 3 320.183 1.260 20 10 DDCDHN C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756458384 700622668 /nfs/dbraw/zinc/62/26/68/700622668.db2.gz MKHBLNXAXIRGGV-JQWIXIFHSA-N 0 3 300.349 1.778 20 10 DDCDHN C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756458384 700622669 /nfs/dbraw/zinc/62/26/69/700622669.db2.gz MKHBLNXAXIRGGV-JQWIXIFHSA-N 0 3 300.349 1.778 20 10 DDCDHN C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1cc(Br)ccc1[O-] ZINC000756558280 700628303 /nfs/dbraw/zinc/62/83/03/700628303.db2.gz ZDGTVNLZZPQGCQ-MWLCHTKSSA-N 0 3 317.227 1.728 20 10 DDCDHN OC[C@@H](CC(F)F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000758614017 700716194 /nfs/dbraw/zinc/71/61/94/700716194.db2.gz FZTKTOAKBLJHRK-GFCCVEGCSA-N 0 3 318.339 1.768 20 10 DDCDHN COc1cc(Br)cc(C[N@H+](C)[C@@H](C)CO)c1[O-] ZINC000809743150 701685040 /nfs/dbraw/zinc/68/50/40/701685040.db2.gz SFKFWILVYRLSOZ-QMMMGPOBSA-N 0 3 304.184 1.976 20 10 DDCDHN COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)CO)c1[O-] ZINC000809743150 701685042 /nfs/dbraw/zinc/68/50/42/701685042.db2.gz SFKFWILVYRLSOZ-QMMMGPOBSA-N 0 3 304.184 1.976 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000770387430 701275915 /nfs/dbraw/zinc/27/59/15/701275915.db2.gz PPVQTXAZSAWDNV-ZDUSSCGKSA-N 0 3 302.378 1.905 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000770387430 701275916 /nfs/dbraw/zinc/27/59/16/701275916.db2.gz PPVQTXAZSAWDNV-ZDUSSCGKSA-N 0 3 302.378 1.905 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000841823616 702573025 /nfs/dbraw/zinc/57/30/25/702573025.db2.gz DPSXKTQLPLECDB-KBPBESRZSA-N 0 3 304.438 1.953 20 10 DDCDHN C[C@@H](NC(=O)N1CCOC2(CNC2)C1)c1ccc(N(C)C)cc1 ZINC000841880843 702605189 /nfs/dbraw/zinc/60/51/89/702605189.db2.gz IRGRRJRYHOCBMF-CYBMUJFWSA-N 0 3 318.421 1.197 20 10 DDCDHN COc1cc(O)c(CN2C[C@@H](C)N(CCO)C[C@H]2C)cc1OC ZINC000841890510 702607786 /nfs/dbraw/zinc/60/77/86/702607786.db2.gz BYZCFRLESXVPSS-CHWSQXEVSA-N 0 3 324.421 1.296 20 10 DDCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CNCCO1 ZINC000842011634 702655073 /nfs/dbraw/zinc/65/50/73/702655073.db2.gz QRFAYOSPBYNCIA-AWEZNQCLSA-N 0 3 307.394 1.302 20 10 DDCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000846036228 703229563 /nfs/dbraw/zinc/22/95/63/703229563.db2.gz YYTUVUNLZPLOIT-LBPRGKRZSA-N 0 3 318.826 1.478 20 10 DDCDHN C[C@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1[O-] ZINC000879650986 706749672 /nfs/dbraw/zinc/74/96/72/706749672.db2.gz BWKILCRHKJHDAX-LBPRGKRZSA-N 0 3 317.389 1.907 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)C(N)C(F)(F)F)C2)cc1 ZINC000852844658 704145025 /nfs/dbraw/zinc/14/50/25/704145025.db2.gz YMAYVPWJFNEOOC-JOYOIKCWSA-N 0 3 317.311 1.280 20 10 DDCDHN CN(C)c1cc(F)c(CNCCc2nnc3n2CCC3)cc1F ZINC000858096298 704665426 /nfs/dbraw/zinc/66/54/26/704665426.db2.gz ZDGAKMLPICGJIB-UHFFFAOYSA-N 0 3 321.375 1.901 20 10 DDCDHN COC(=O)C1(C)CN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000822534660 704969800 /nfs/dbraw/zinc/96/98/00/704969800.db2.gz SAAVYRDTTZNGEP-UHFFFAOYSA-N 0 3 317.433 1.433 20 10 DDCDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875370325 705367049 /nfs/dbraw/zinc/36/70/49/705367049.db2.gz CRIHPKSSIUYJBT-NHYWBVRUSA-N 0 3 301.390 1.900 20 10 DDCDHN COC(=O)[C@]1(OC)CCN(Cc2cc(OC)c(C)cc2O)C1 ZINC000863298515 705894766 /nfs/dbraw/zinc/89/47/66/705894766.db2.gz YYQKDUFDSLPGIA-INIZCTEOSA-N 0 3 309.362 1.473 20 10 DDCDHN CNS(=O)(=O)c1cccc(CNCc2ccc(C)cc2O)c1 ZINC000876960552 705939294 /nfs/dbraw/zinc/93/92/94/705939294.db2.gz FWIPDQORYXRXRO-UHFFFAOYSA-N 0 3 320.414 1.899 20 10 DDCDHN CN(C(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)c1ccc(N)cc1 ZINC000877077981 705977835 /nfs/dbraw/zinc/97/78/35/705977835.db2.gz XQYRKEDFCKQRNN-JJRVBVJISA-N 0 3 303.406 1.764 20 10 DDCDHN CC(=O)[C@](C)(O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000827336394 705978393 /nfs/dbraw/zinc/97/83/93/705978393.db2.gz GIJVJMUJXCNDKM-QGZVFWFLSA-N 0 3 306.406 1.295 20 10 DDCDHN COC(=O)C1=NO[C@]2(CCN(Cc3ccc(C)cc3O)C2)C1 ZINC000877712632 706185453 /nfs/dbraw/zinc/18/54/53/706185453.db2.gz QKAXXJIIEDHSLS-MRXNPFEDSA-N 0 3 304.346 1.594 20 10 DDCDHN Cc1cc(=O)c(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c[nH]1 ZINC000832274849 706883117 /nfs/dbraw/zinc/88/31/17/706883117.db2.gz ZWFNGRKCOODXJZ-HNNXBMFYSA-N 0 3 314.389 1.179 20 10 DDCDHN Cc1cc(CNCc2ccc(N3CCN(C)CC3)cc2)nn1C ZINC000883283448 707965112 /nfs/dbraw/zinc/96/51/12/707965112.db2.gz GAIPJQCIXCYROL-UHFFFAOYSA-N 0 3 313.449 1.770 20 10 DDCDHN CCOc1ccc(O)c(CNC2(C(=O)NCCOC)CC2)c1 ZINC000839192563 708034693 /nfs/dbraw/zinc/03/46/93/708034693.db2.gz KVKVMMICOLWIDZ-UHFFFAOYSA-N 0 3 308.378 1.176 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(c2cnn(C)c2)CCCO1 ZINC000898057710 708531108 /nfs/dbraw/zinc/53/11/08/708531108.db2.gz IAYREELVZILJNW-QGZVFWFLSA-N 0 3 317.389 1.930 20 10 DDCDHN O=c1cc(N2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)nc[n-]1 ZINC000898158638 708560720 /nfs/dbraw/zinc/56/07/20/708560720.db2.gz AMYXGESVETYGIV-CQSZACIVSA-N 0 3 312.373 1.486 20 10 DDCDHN CCOc1cccc(CNCc2cnc3n2CCOC3)c1O ZINC000898271117 708593900 /nfs/dbraw/zinc/59/39/00/708593900.db2.gz SYZZHZJKTYKIAY-UHFFFAOYSA-N 0 3 303.362 1.807 20 10 DDCDHN CN(C)c1ccc([C@@H](CNCc2ncnn2C)N(C)C)cc1 ZINC000898446979 708642304 /nfs/dbraw/zinc/64/23/04/708642304.db2.gz DBUVGNXNCZBAND-OAHLLOKOSA-N 0 3 302.426 1.274 20 10 DDCDHN C[C@@H]1C[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CO1 ZINC000891248814 710141258 /nfs/dbraw/zinc/14/12/58/710141258.db2.gz OFNWBRFHXAAXOJ-FRFSOERESA-N 0 3 319.449 1.897 20 10 DDCDHN Cc1noc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000891247955 710141340 /nfs/dbraw/zinc/14/13/40/710141340.db2.gz IXULYFKQNRNKHS-AWEZNQCLSA-N 0 3 317.393 1.477 20 10 DDCDHN C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248704 710141356 /nfs/dbraw/zinc/14/13/56/710141356.db2.gz NBZKZSFTJXBRSD-XKQJLSEDSA-N 0 3 319.449 1.897 20 10 DDCDHN CC[C@@H](OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256373 710143608 /nfs/dbraw/zinc/14/36/08/710143608.db2.gz XOXXQSWSEGCGAK-JKSUJKDBSA-N 0 3 307.438 1.897 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CO)COCCN2C)c2c1c(F)ccc2[O-] ZINC000903280857 711086750 /nfs/dbraw/zinc/08/67/50/711086750.db2.gz NZCSRVHEQKJEDW-CJBNDPTMSA-N 0 3 324.396 1.362 20 10 DDCDHN CCCONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895516846 711531587 /nfs/dbraw/zinc/53/15/87/711531587.db2.gz WLVUZUSXFBBLIR-HNNXBMFYSA-N 0 3 308.426 1.996 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCC(F)F)N(C)C)cc1 ZINC000931633478 714144248 /nfs/dbraw/zinc/14/42/48/714144248.db2.gz IRGROFLXYACHKW-CYBMUJFWSA-N 0 3 314.380 1.920 20 10 DDCDHN C[C@H]1[C@H](CO)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001193898144 746231000 /nfs/dbraw/zinc/23/10/00/746231000.db2.gz JKVGABNEWBMDHE-ZFWWWQNUSA-N 0 3 305.422 1.072 20 10 DDCDHN O=C1C[C@@]2(CN1C1COC1)CCCC[N@H+]2Cc1ccccc1[O-] ZINC001272618828 846417139 /nfs/dbraw/zinc/41/71/39/846417139.db2.gz OYYBMERDXDIMNH-GOSISDBHSA-N 0 3 316.401 1.748 20 10 DDCDHN O=C1C[C@@]2(CN1C1COC1)CCCC[N@@H+]2Cc1ccccc1[O-] ZINC001272618828 846417146 /nfs/dbraw/zinc/41/71/46/846417146.db2.gz OYYBMERDXDIMNH-GOSISDBHSA-N 0 3 316.401 1.748 20 10 DDCDHN Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(C4COC4)C3=O)C2)c([O-])c1 ZINC001272766624 847399354 /nfs/dbraw/zinc/39/93/54/847399354.db2.gz SDZLFQBDFQLHIK-GOSISDBHSA-N 0 3 316.401 1.524 20 10 DDCDHN Cc1ccc(C[N@H+]2CC[C@@]3(CCN(C4COC4)C3=O)C2)c([O-])c1 ZINC001272766624 847399361 /nfs/dbraw/zinc/39/93/61/847399361.db2.gz SDZLFQBDFQLHIK-GOSISDBHSA-N 0 3 316.401 1.524 20 10 DDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@]2(CC(=O)N(C)C2=O)C1 ZINC001274304423 852142577 /nfs/dbraw/zinc/14/25/77/852142577.db2.gz UMKJARCGQORVJS-QGZVFWFLSA-N 0 3 302.374 1.672 20 10 DDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@]2(CC(=O)N(C)C2=O)C1 ZINC001274304423 852142582 /nfs/dbraw/zinc/14/25/82/852142582.db2.gz UMKJARCGQORVJS-QGZVFWFLSA-N 0 3 302.374 1.672 20 10 DDCDHN CC(=O)N(C)C1CN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001139409802 860389465 /nfs/dbraw/zinc/38/94/65/860389465.db2.gz SXZLMHFVMPAEOT-UHFFFAOYSA-N 0 3 316.449 1.101 20 10 DDCDHN CNC(=O)C1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141139091 860794064 /nfs/dbraw/zinc/79/40/64/860794064.db2.gz ITARHZIEERWMQT-UHFFFAOYSA-N 0 3 303.406 1.473 20 10 DDCDHN Oc1ccc(O)c(CN2CCC(Oc3ncccn3)CC2)c1 ZINC001141160160 860798343 /nfs/dbraw/zinc/79/83/43/860798343.db2.gz RMPSQYHIPGLALI-UHFFFAOYSA-N 0 3 301.346 1.931 20 10 DDCDHN Cc1ccnc(O[C@H]2CCN(Cc3cc(O)ccc3O)C2)n1 ZINC001141162750 860799436 /nfs/dbraw/zinc/79/94/36/860799436.db2.gz BZNPJHQYSULKEL-AWEZNQCLSA-N 0 3 301.346 1.850 20 10 DDCDHN COc1ccc(N2CC[C@H](NC[C@H](C)S(C)(=O)=O)C2)cc1 ZINC001335412743 868281716 /nfs/dbraw/zinc/28/17/16/868281716.db2.gz KDOFKBSHMFZHNN-STQMWFEESA-N 0 3 312.435 1.297 20 10 DDCDHN COc1cnc(O[C@H]2CC[N@H+](Cc3ccccc3[O-])C2)nc1 ZINC001203561575 870640967 /nfs/dbraw/zinc/64/09/67/870640967.db2.gz WHXGLNIOLWFOAH-ZDUSSCGKSA-N 0 3 301.346 1.844 20 10 DDCDHN COc1cnc(O[C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)nc1 ZINC001203561575 870640982 /nfs/dbraw/zinc/64/09/82/870640982.db2.gz WHXGLNIOLWFOAH-ZDUSSCGKSA-N 0 3 301.346 1.844 20 10 DDCDHN [NH3+][C@H]1CCOC2(CC(C(=O)NCc3c([O-])cccc3F)C2)C1 ZINC001354863983 878283910 /nfs/dbraw/zinc/28/39/10/878283910.db2.gz ASLZGKBMQXONAY-CSJGVYOVSA-N 0 3 308.353 1.434 20 10 DDCDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1O ZINC001355364493 878522119 /nfs/dbraw/zinc/52/21/19/878522119.db2.gz XCZRAZDOPVIJKQ-CXAGYDPISA-N 0 3 307.413 1.390 20 10 DDCDHN CC(=O)N1CCC2(CC1)CN(Cc1cccc(C)c1O)CCO2 ZINC001231593201 885756001 /nfs/dbraw/zinc/75/60/01/885756001.db2.gz SLSRZDXGTZSORY-UHFFFAOYSA-N 0 3 318.417 1.914 20 10 DDCDHN COc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c(O)cc1O ZINC001231636306 885772023 /nfs/dbraw/zinc/77/20/23/885772023.db2.gz MFKCFTWGMLHJHU-ATCWAGBWSA-N 0 3 320.389 1.309 20 10 DDCDHN Cc1ccc(CN2CC3(C[C@@H]3C(=O)Nc3nnco3)C2)c(O)c1 ZINC001277559441 885844685 /nfs/dbraw/zinc/84/46/85/885844685.db2.gz CCWAMIMBVUZJQF-GFCCVEGCSA-N 0 3 314.345 1.544 20 10 DDCDHN NC(=O)[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761370 887292708 /nfs/dbraw/zinc/29/27/08/887292708.db2.gz TWZCEVMPALNFIJ-SECBINFHSA-N 0 3 304.268 1.598 20 10 DDCDHN NC(=O)[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233761370 887292728 /nfs/dbraw/zinc/29/27/28/887292728.db2.gz TWZCEVMPALNFIJ-SECBINFHSA-N 0 3 304.268 1.598 20 10 DDCDHN CCOc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C(=O)OC)C2)c([O-])c1 ZINC001237050123 889480922 /nfs/dbraw/zinc/48/09/22/889480922.db2.gz PUDFZNNTWDJTOC-GUYCJALGSA-N 0 3 321.373 1.412 20 10 DDCDHN CCOc1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C(=O)OC)C2)c([O-])c1 ZINC001237050123 889480930 /nfs/dbraw/zinc/48/09/30/889480930.db2.gz PUDFZNNTWDJTOC-GUYCJALGSA-N 0 3 321.373 1.412 20 10 DDCDHN CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001237172469 889523418 /nfs/dbraw/zinc/52/34/18/889523418.db2.gz GFVWOORICYQNIM-AAEUAGOBSA-N 0 3 304.312 1.830 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCCN2C)cc1 ZINC000139401713 354127443 /nfs/dbraw/zinc/12/74/43/354127443.db2.gz OUXQSLSJABWOQM-MRXNPFEDSA-N 0 3 304.438 1.988 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000091963978 193132387 /nfs/dbraw/zinc/13/23/87/193132387.db2.gz WUCHVSHZNMVZFN-UHFFFAOYSA-N 0 3 312.435 1.556 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000091963978 193132389 /nfs/dbraw/zinc/13/23/89/193132389.db2.gz WUCHVSHZNMVZFN-UHFFFAOYSA-N 0 3 312.435 1.556 20 10 DDCDHN COC(=O)[C@]12C[N@H+](Cc3cccc(OC)c3[O-])C[C@H]1COCC2 ZINC000369540400 131024640 /nfs/dbraw/zinc/02/46/40/131024640.db2.gz IZUNBTJIEIFYSI-SUMWQHHRSA-N 0 3 321.373 1.412 20 10 DDCDHN COC(=O)[C@]12C[N@@H+](Cc3cccc(OC)c3[O-])C[C@H]1COCC2 ZINC000369540400 131024642 /nfs/dbraw/zinc/02/46/42/131024642.db2.gz IZUNBTJIEIFYSI-SUMWQHHRSA-N 0 3 321.373 1.412 20 10 DDCDHN NC(=O)N[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000271351999 407648767 /nfs/dbraw/zinc/64/87/67/407648767.db2.gz PUXHWAHGYNJBLP-HNNXBMFYSA-N 0 3 302.422 1.920 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+]CCN2CCOC(C)(C)C2)c1 ZINC000171766542 407763731 /nfs/dbraw/zinc/76/37/31/407763731.db2.gz BGSBPIFFHXWYNZ-UHFFFAOYSA-N 0 3 308.422 1.991 20 10 DDCDHN COc1cccc(CNC(=O)NC[C@@H](C)N(C)C2CC2)c1O ZINC000174739050 407986723 /nfs/dbraw/zinc/98/67/23/407986723.db2.gz BKSPMWNAXBRJGO-LLVKDONJSA-N 0 3 307.394 1.683 20 10 DDCDHN COCCN(C)CCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273297517 408144689 /nfs/dbraw/zinc/14/46/89/408144689.db2.gz ALZTVDCAJPDARN-CYBMUJFWSA-N 0 3 324.421 1.798 20 10 DDCDHN Cc1cccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1[O-] ZINC000182631022 408207758 /nfs/dbraw/zinc/20/77/58/408207758.db2.gz NQFWJTRIDJCSFK-UHFFFAOYSA-N 0 3 324.446 1.747 20 10 DDCDHN CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc3c(cc2[O-])OCO3)C1(C)C ZINC000275893000 408711692 /nfs/dbraw/zinc/71/16/92/408711692.db2.gz YGBUIZOXHDYXNV-NVXWUHKLSA-N 0 3 323.389 1.777 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c1 ZINC000185343879 408797832 /nfs/dbraw/zinc/79/78/32/408797832.db2.gz ONCYAMLRDRDINZ-GJZGRUSLSA-N 0 3 321.465 1.935 20 10 DDCDHN C[C@H](NCCC(=O)N(C)C)c1ccc(N2CCOCC2)cc1 ZINC000178291595 408800638 /nfs/dbraw/zinc/80/06/38/408800638.db2.gz YSCGTJVNLBWCJT-AWEZNQCLSA-N 0 3 305.422 1.652 20 10 DDCDHN Cc1cccc(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c1O ZINC000279441900 409215354 /nfs/dbraw/zinc/21/53/54/409215354.db2.gz PJIOSACIMFQCSN-OAHLLOKOSA-N 0 3 324.446 1.701 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@H]2CCCN(CCCO)C2)cc1OC ZINC000294684021 409296756 /nfs/dbraw/zinc/29/67/56/409296756.db2.gz BJBAMAVHRNIBEI-AWEZNQCLSA-N 0 3 324.421 1.346 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000294931772 409306018 /nfs/dbraw/zinc/30/60/18/409306018.db2.gz BQLFIGKIQQBPOV-GFCCVEGCSA-N 0 3 320.842 1.771 20 10 DDCDHN CNC(=O)OC[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000290155232 409310818 /nfs/dbraw/zinc/31/08/18/409310818.db2.gz LLRWNDMPEDTODF-GFCCVEGCSA-N 0 3 322.361 1.831 20 10 DDCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COC[C@H]2O)c1[O-] ZINC000295932481 409375754 /nfs/dbraw/zinc/37/57/54/409375754.db2.gz KVDILGQICQKSBN-XXILOJSOSA-N 0 3 316.195 1.873 20 10 DDCDHN COc1ccc(O)c(CN[C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000290262389 409339349 /nfs/dbraw/zinc/33/93/49/409339349.db2.gz WUYVDCZRGTXGEY-YOEHRIQHSA-N 0 3 301.342 1.985 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000290262389 409339354 /nfs/dbraw/zinc/33/93/54/409339354.db2.gz WUYVDCZRGTXGEY-YOEHRIQHSA-N 0 3 301.342 1.985 20 10 DDCDHN CN(C)c1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000367460777 418601051 /nfs/dbraw/zinc/60/10/51/418601051.db2.gz JALIPTRDANCYDU-MSOLQXFVSA-N 0 3 303.450 1.784 20 10 DDCDHN COc1cc(O)c(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1OC ZINC000362241213 418751409 /nfs/dbraw/zinc/75/14/09/418751409.db2.gz XDTPSZRSLDXGKT-UHTWSYAYSA-N 0 3 320.389 1.508 20 10 DDCDHN C[C@@H]1C[C@H]1N1C[C@@H](NCc2cc3c(cc2O)OCO3)CC1=O ZINC000363264576 418763829 /nfs/dbraw/zinc/76/38/29/418763829.db2.gz OUHZXWXKMLSXBT-ADEWGFFLSA-N 0 3 304.346 1.220 20 10 DDCDHN CCOc1cccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1O ZINC000363263805 418763900 /nfs/dbraw/zinc/76/39/00/418763900.db2.gz BTXBIJJITZNADP-YUTCNCBUSA-N 0 3 304.390 1.890 20 10 DDCDHN CN1CCc2cc(CNC(=O)N3CCN4CCC[C@H]4C3)ccc21 ZINC000372452949 418871519 /nfs/dbraw/zinc/87/15/19/418871519.db2.gz FOZCCDISHWCMOC-INIZCTEOSA-N 0 3 314.433 1.669 20 10 DDCDHN COc1ccc([O-])c(C[NH+]2CCC(CN3CCOCC3)CC2)c1 ZINC000179684911 337171103 /nfs/dbraw/zinc/17/11/03/337171103.db2.gz BDVIFIOURAVTAC-UHFFFAOYSA-N 0 3 320.433 1.945 20 10 DDCDHN C[C@@H](CC(N)=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000267248390 524416598 /nfs/dbraw/zinc/41/65/98/524416598.db2.gz NTHSXQNMDNZXAL-RWMBFGLXSA-N 0 3 323.412 1.793 20 10 DDCDHN COc1cccc(CN2CCC(N3CCNC3=O)CC2)c1O ZINC000127577831 525931452 /nfs/dbraw/zinc/93/14/52/525931452.db2.gz NBFWIKJYWPYURB-UHFFFAOYSA-N 0 3 305.378 1.390 20 10 DDCDHN NC(=O)NC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093051346 696598853 /nfs/dbraw/zinc/59/88/53/696598853.db2.gz HVJFTZCBERIKCY-UHFFFAOYSA-N 0 3 318.421 1.156 20 10 DDCDHN COCCN1[C@H](C)CN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000155267095 696945387 /nfs/dbraw/zinc/94/53/87/696945387.db2.gz RBBGMAXJFOTZKP-BETUJISGSA-N 0 3 322.405 1.662 20 10 DDCDHN CC(C)NS(=O)(=O)CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000180471286 697449068 /nfs/dbraw/zinc/44/90/68/697449068.db2.gz KWUCQMLPEDOAOI-CYBMUJFWSA-N 0 3 313.467 1.731 20 10 DDCDHN C[C@H](NCC(=O)N(C)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775258372 697977058 /nfs/dbraw/zinc/97/70/58/697977058.db2.gz YVJBKCMWRSOPOF-AWEZNQCLSA-N 0 3 317.433 1.795 20 10 DDCDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H](CO)O1 ZINC000787416889 699211031 /nfs/dbraw/zinc/21/10/31/699211031.db2.gz KLJYFOIDSDYKJP-QAPCUYQASA-N 0 3 319.449 1.020 20 10 DDCDHN C[C@@H](NCC(=O)N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000765416857 701010882 /nfs/dbraw/zinc/01/08/82/701010882.db2.gz MZJBWZGGTNOQGJ-CQSZACIVSA-N 0 3 304.438 1.177 20 10 DDCDHN Oc1cc2c(cc1CN1CCN(CC3CC3)CC1)[C@H](O)CO2 ZINC000768441652 701176872 /nfs/dbraw/zinc/17/68/72/701176872.db2.gz FFBCDPYXUBQXFN-MRXNPFEDSA-N 0 3 304.390 1.346 20 10 DDCDHN COC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1C ZINC000768463420 701179587 /nfs/dbraw/zinc/17/95/87/701179587.db2.gz ILWAMMFSPWZHCB-IUPBHXKESA-N 0 3 307.346 1.059 20 10 DDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1C ZINC000768463420 701179588 /nfs/dbraw/zinc/17/95/88/701179588.db2.gz ILWAMMFSPWZHCB-IUPBHXKESA-N 0 3 307.346 1.059 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]3COCC[C@@H]31)[C@H](O)CO2 ZINC000768463669 701179604 /nfs/dbraw/zinc/17/96/04/701179604.db2.gz LDXMEBZLTBXZDR-DIOULYMOSA-N 0 3 305.374 1.819 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]3COCC[C@@H]31)[C@H](O)CO2 ZINC000768463669 701179606 /nfs/dbraw/zinc/17/96/06/701179606.db2.gz LDXMEBZLTBXZDR-DIOULYMOSA-N 0 3 305.374 1.819 20 10 DDCDHN CCOc1ccc(C[NH2+][C@]2(CC(=O)OC)CCCOC2)c([O-])c1 ZINC000770672992 701289217 /nfs/dbraw/zinc/28/92/17/701289217.db2.gz DRFKYGFUHCLBIE-KRWDZBQOSA-N 0 3 323.389 1.993 20 10 DDCDHN CCNS(=O)(=O)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808706090 701532457 /nfs/dbraw/zinc/53/24/57/701532457.db2.gz XOVHPXCPIGBGEW-SNVBAGLBSA-N 0 3 320.842 1.944 20 10 DDCDHN COc1cc(CN2CC[C@H](OC(=O)N(C)C)C2)c(O)cc1C ZINC000840106772 701971434 /nfs/dbraw/zinc/97/14/34/701971434.db2.gz KPWJJNZTPNKWFK-ZDUSSCGKSA-N 0 3 308.378 1.982 20 10 DDCDHN COCCN1CCC(NC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868364808 702086948 /nfs/dbraw/zinc/08/69/48/702086948.db2.gz XMZZZVFKFQZSSW-ZDUSSCGKSA-N 0 3 321.421 1.863 20 10 DDCDHN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CNCCCO2)c1[O-] ZINC000841087313 702341456 /nfs/dbraw/zinc/34/14/56/702341456.db2.gz UMIPDLKOSKZECO-NSHDSACASA-N 0 3 315.757 1.422 20 10 DDCDHN [NH3+]CC1(O)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000841106538 702349231 /nfs/dbraw/zinc/34/92/31/702349231.db2.gz BQCOVWCQPGCCIY-UHFFFAOYSA-N 0 3 315.757 1.239 20 10 DDCDHN CCOc1ccc(O)c(CN2CN(CCN(C)C)C(=O)[C@@H]2C)c1 ZINC000843428508 702879786 /nfs/dbraw/zinc/87/97/86/702879786.db2.gz JYURTTWZZLUHPJ-ZDUSSCGKSA-N 0 3 321.421 1.343 20 10 DDCDHN Cc1ccc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c(O)c1 ZINC000876789396 705877597 /nfs/dbraw/zinc/87/75/97/705877597.db2.gz ACAUGGUXQRXYDY-MRXNPFEDSA-N 0 3 317.433 1.439 20 10 DDCDHN COc1cc(O)c(CN2CCC[C@@](CO)(OC)C2)cc1OC ZINC000826953004 705898189 /nfs/dbraw/zinc/89/81/89/705898189.db2.gz ZGAHEVXHEINJLT-MRXNPFEDSA-N 0 3 311.378 1.383 20 10 DDCDHN CCOc1cccc(CN(CCN(C)C)CC(=O)N(C)C)c1O ZINC000827157805 705942221 /nfs/dbraw/zinc/94/22/21/705942221.db2.gz HVXYUAMYWQCRNS-UHFFFAOYSA-N 0 3 323.437 1.243 20 10 DDCDHN CN(C)c1ccc(CNCc2nc(C[NH3+])cc(=O)[n-]2)cc1F ZINC000863648154 705976244 /nfs/dbraw/zinc/97/62/44/705976244.db2.gz LMYLYEPRAJROKY-UHFFFAOYSA-N 0 3 305.357 1.136 20 10 DDCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H](O)C(F)(F)F ZINC000865711836 706503374 /nfs/dbraw/zinc/50/33/74/706503374.db2.gz RTDNGBUNFOJDNN-BXUZGUMPSA-N 0 3 318.339 1.925 20 10 DDCDHN COC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891245307 710140058 /nfs/dbraw/zinc/14/00/58/710140058.db2.gz CJUOVOYHSFVMAQ-HNNXBMFYSA-N 0 3 305.422 1.651 20 10 DDCDHN COC(OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246849 710140691 /nfs/dbraw/zinc/14/06/91/710140691.db2.gz QJUURSQFUJVBCQ-AWEZNQCLSA-N 0 3 309.410 1.090 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cncnc2)N(C)C)cc1 ZINC000891249364 710141131 /nfs/dbraw/zinc/14/11/31/710141131.db2.gz RQVKWUGOHSSQPR-INIZCTEOSA-N 0 3 313.405 1.575 20 10 DDCDHN C[C@@H]1OCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891248702 710141254 /nfs/dbraw/zinc/14/12/54/710141254.db2.gz NBZKZSFTJXBRSD-RRQGHBQHSA-N 0 3 319.449 1.897 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnn(C)c2)N(C)C)cc1 ZINC000891255454 710144047 /nfs/dbraw/zinc/14/40/47/710144047.db2.gz PPDWUGBSMUFAQE-INIZCTEOSA-N 0 3 315.421 1.519 20 10 DDCDHN Cc1nc([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)no1 ZINC000905681759 712116777 /nfs/dbraw/zinc/11/67/77/712116777.db2.gz ISCUTFXXDRJXQL-QMTHXVAHSA-N 0 3 317.345 1.499 20 10 DDCDHN Cc1nc([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)no1 ZINC000905681759 712116779 /nfs/dbraw/zinc/11/67/79/712116779.db2.gz ISCUTFXXDRJXQL-QMTHXVAHSA-N 0 3 317.345 1.499 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cccnn2)c1 ZINC000930216312 713779690 /nfs/dbraw/zinc/77/96/90/713779690.db2.gz DKBIMGHWBQPZLA-SNVBAGLBSA-N 0 3 302.334 1.480 20 10 DDCDHN O=C(Cc1ccc(O)c(O)c1)N1CC2(C1)CN(C1CCCC1)C2 ZINC001270578856 842685577 /nfs/dbraw/zinc/68/55/77/842685577.db2.gz BCSUCODXHSJTLF-UHFFFAOYSA-N 0 3 316.401 1.727 20 10 DDCDHN [O-]c1ccc(F)cc1C[NH+]1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001140054488 860565637 /nfs/dbraw/zinc/56/56/37/860565637.db2.gz RULQFDCBSRHDOZ-ZIAGYGMSSA-N 0 3 314.364 1.890 20 10 DDCDHN COC(=O)CNC(=O)[C@@H]1CCCN1Cc1c(C)ccc(C)c1O ZINC001140184609 860588236 /nfs/dbraw/zinc/58/82/36/860588236.db2.gz BPROMNIJFFXLHP-AWEZNQCLSA-N 0 3 320.389 1.263 20 10 DDCDHN OC1CCN(c2ccc(CN3CC[C@@H](F)[C@@H](O)C3)cc2)CC1 ZINC001140283392 860611363 /nfs/dbraw/zinc/61/13/63/860611363.db2.gz RUGDBVKZCVFXDJ-SJORKVTESA-N 0 3 308.397 1.552 20 10 DDCDHN COC(=O)C[C@H]1CC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141033094 860769118 /nfs/dbraw/zinc/76/91/18/860769118.db2.gz ZUCQHICMXUBTQD-LLVKDONJSA-N 0 3 309.362 1.794 20 10 DDCDHN COC(=O)C[C@H]1CC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141033094 860769120 /nfs/dbraw/zinc/76/91/20/860769120.db2.gz ZUCQHICMXUBTQD-LLVKDONJSA-N 0 3 309.362 1.794 20 10 DDCDHN COC(=O)C[C@H]1CCN(Cc2c(O)cc(OC)cc2OC)C1 ZINC001141033094 860769123 /nfs/dbraw/zinc/76/91/23/860769123.db2.gz ZUCQHICMXUBTQD-LLVKDONJSA-N 0 3 309.362 1.794 20 10 DDCDHN COc1cc(C)cc(CN[C@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC001333718210 866959685 /nfs/dbraw/zinc/95/96/85/866959685.db2.gz HAHCBLXKPTXXCC-AAEUAGOBSA-N 0 3 313.419 1.765 20 10 DDCDHN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCCCN1CCO ZINC001325295384 867922217 /nfs/dbraw/zinc/92/22/17/867922217.db2.gz GYPDYPUPHRNJQS-BRLPQQTGSA-N 0 3 320.389 1.074 20 10 DDCDHN COc1cccc(CN2CCc3[nH]c(=O)[nH]c(=O)c3C2)c1O ZINC001203596522 870658562 /nfs/dbraw/zinc/65/85/62/870658562.db2.gz GOTZOVOUGXCMSK-UHFFFAOYSA-N 0 3 303.318 1.160 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccc(O)cc3[O-])CC[C@@H]21 ZINC001204272509 871030148 /nfs/dbraw/zinc/03/01/48/871030148.db2.gz CAXJORVDOOSMDQ-DOTOQJQBSA-N 0 3 320.389 1.310 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])CC[C@@H]21 ZINC001204272509 871030163 /nfs/dbraw/zinc/03/01/63/871030163.db2.gz CAXJORVDOOSMDQ-DOTOQJQBSA-N 0 3 320.389 1.310 20 10 DDCDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001204274112 871032444 /nfs/dbraw/zinc/03/24/44/871032444.db2.gz IVENCVIECUKHKL-OKILXGFUSA-N 0 3 312.373 1.456 20 10 DDCDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001204274112 871032458 /nfs/dbraw/zinc/03/24/58/871032458.db2.gz IVENCVIECUKHKL-OKILXGFUSA-N 0 3 312.373 1.456 20 10 DDCDHN O=C1OCCCN1C1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204277569 871036536 /nfs/dbraw/zinc/03/65/36/871036536.db2.gz FOAHIJGSLQCLPI-UHFFFAOYSA-N 0 3 306.362 1.905 20 10 DDCDHN COc1cc(CN2CCC[C@@H](n3cncn3)C2)c(O)cc1O ZINC001231637595 885776600 /nfs/dbraw/zinc/77/66/00/885776600.db2.gz NPFGJZPPCZDZQE-GFCCVEGCSA-N 0 3 304.350 1.535 20 10 DDCDHN CN1CCOc2cc(CN3CCC4(C[C@H]4C(N)=O)CC3)ccc21 ZINC001277652746 886278342 /nfs/dbraw/zinc/27/83/42/886278342.db2.gz JDUZZIAPWCYMPW-AWEZNQCLSA-N 0 3 315.417 1.603 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c1[O-] ZINC001233287678 886900771 /nfs/dbraw/zinc/90/07/71/886900771.db2.gz CDQQJQJWYMCESG-HNNXBMFYSA-N 0 3 310.781 1.766 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CCNC3=O)C2)c1[O-] ZINC001233287678 886900776 /nfs/dbraw/zinc/90/07/76/886900776.db2.gz CDQQJQJWYMCESG-HNNXBMFYSA-N 0 3 310.781 1.766 20 10 DDCDHN CCc1ncnc2c1CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001233484711 887013419 /nfs/dbraw/zinc/01/34/19/887013419.db2.gz UYAWUGAIZCQRFK-UHFFFAOYSA-N 0 3 315.373 1.757 20 10 DDCDHN Oc1cc(O)c(CN2CCC(N3CCOCC3)CC2)cc1O ZINC001233482300 887013920 /nfs/dbraw/zinc/01/39/20/887013920.db2.gz IRLLEPVPSVPBJS-UHFFFAOYSA-N 0 3 308.378 1.100 20 10 DDCDHN CCOC(=O)C[C@@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233483114 887015643 /nfs/dbraw/zinc/01/56/43/887015643.db2.gz OGBUISCWRNAKDH-NSHDSACASA-N 0 3 309.362 1.969 20 10 DDCDHN Oc1cc(O)c(CN2CCCN(c3ncccn3)CC2)cc1O ZINC001233485954 887018835 /nfs/dbraw/zinc/01/88/35/887018835.db2.gz RPXNICUNOSKMQW-UHFFFAOYSA-N 0 3 316.361 1.306 20 10 DDCDHN COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc2ccccc2c1[O-] ZINC001236202218 889141923 /nfs/dbraw/zinc/14/19/23/889141923.db2.gz SFYPIDJWNLSNDB-ZFWWWQNUSA-N 0 3 300.358 1.620 20 10 DDCDHN C[C@H]([NH3+])CN(C)Cc1ccc(I)cc1[O-] ZINC001236903483 889412144 /nfs/dbraw/zinc/41/21/44/889412144.db2.gz DMIXGCNUUNIPCO-QMMMGPOBSA-N 0 3 320.174 1.776 20 10 DDCDHN CCOc1cccc(CN2CCN(Cc3nc[nH]n3)CC2)c1O ZINC001262112527 899949761 /nfs/dbraw/zinc/94/97/61/899949761.db2.gz LVTKRHZSBSCVJE-UHFFFAOYSA-N 0 3 317.393 1.227 20 10 DDCDHN COc1ccc(CN[C@@H](CO)CNC(=O)c2ccoc2)cc1C ZINC001283735923 907872558 /nfs/dbraw/zinc/87/25/58/907872558.db2.gz UUGGVXYNBFXYGR-OAHLLOKOSA-N 0 3 318.373 1.477 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+]CCc1cn3c(n1)SCC3)OCO2 ZINC000274266585 130222064 /nfs/dbraw/zinc/22/20/64/130222064.db2.gz PLYXPDHKQATYMT-UHFFFAOYSA-N 0 3 319.386 1.755 20 10 DDCDHN COCCO[C@@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000275603007 130345821 /nfs/dbraw/zinc/34/58/21/130345821.db2.gz QCYYCEFJOGBMJY-CYBMUJFWSA-N 0 3 311.378 1.647 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)c([O-])c1 ZINC000186054737 407568320 /nfs/dbraw/zinc/56/83/20/407568320.db2.gz JKMKBMVWQLQJKB-DOMZBBRYSA-N 0 3 314.389 1.890 20 10 DDCDHN CN(C)c1ccc(CN2CCC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000271198451 407570845 /nfs/dbraw/zinc/57/08/45/407570845.db2.gz SJESFDFKGWDAQH-CQSZACIVSA-N 0 3 311.451 1.253 20 10 DDCDHN CCOc1cccc(C[NH2+]CC(C)(C)N2CCOCC2)c1[O-] ZINC000074334731 406909234 /nfs/dbraw/zinc/90/92/34/406909234.db2.gz YLILNKIJFCOTSJ-UHFFFAOYSA-N 0 3 308.422 1.991 20 10 DDCDHN CN(C)C(=O)CN1CCCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000128526295 407543928 /nfs/dbraw/zinc/54/39/28/407543928.db2.gz AVIZDVKEQNBNQO-UHFFFAOYSA-N 0 3 318.465 1.349 20 10 DDCDHN Cc1cccc(CN2CCCC[C@H]2CNS(C)(=O)=O)c1O ZINC000271749996 407732228 /nfs/dbraw/zinc/73/22/28/407732228.db2.gz UYESDPIHRJNUCI-AWEZNQCLSA-N 0 3 312.435 1.604 20 10 DDCDHN O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000151276563 408288405 /nfs/dbraw/zinc/28/84/05/408288405.db2.gz MHVCEVVUPIWAKF-UHFFFAOYSA-N 0 3 310.419 1.438 20 10 DDCDHN COc1cccc(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000193398952 408716278 /nfs/dbraw/zinc/71/62/78/408716278.db2.gz BGNSBGMGWDMBRO-OKILXGFUSA-N 0 3 308.422 1.942 20 10 DDCDHN CCCC[N@H+](CCCN1C(=O)CNC1=O)Cc1ccccc1[O-] ZINC000282431305 409052426 /nfs/dbraw/zinc/05/24/26/409052426.db2.gz KEBBUNWESHHAKO-UHFFFAOYSA-N 0 3 319.405 1.936 20 10 DDCDHN CCCC[N@@H+](CCCN1C(=O)CNC1=O)Cc1ccccc1[O-] ZINC000282431305 409052427 /nfs/dbraw/zinc/05/24/27/409052427.db2.gz KEBBUNWESHHAKO-UHFFFAOYSA-N 0 3 319.405 1.936 20 10 DDCDHN COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000278691997 409086940 /nfs/dbraw/zinc/08/69/40/409086940.db2.gz MVILNGKAVLTJJM-IUODEOHRSA-N 0 3 313.369 1.377 20 10 DDCDHN COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000278691997 409086942 /nfs/dbraw/zinc/08/69/42/409086942.db2.gz MVILNGKAVLTJJM-IUODEOHRSA-N 0 3 313.369 1.377 20 10 DDCDHN Cn1cc([C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]2CO)cn1 ZINC000278745651 409087701 /nfs/dbraw/zinc/08/77/01/409087701.db2.gz RSBUEVJNSAUACJ-ZFWWWQNUSA-N 0 3 305.353 1.473 20 10 DDCDHN Cn1cc([C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]2CO)cn1 ZINC000278745651 409087705 /nfs/dbraw/zinc/08/77/05/409087705.db2.gz RSBUEVJNSAUACJ-ZFWWWQNUSA-N 0 3 305.353 1.473 20 10 DDCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1[O-] ZINC000293635274 409151591 /nfs/dbraw/zinc/15/15/91/409151591.db2.gz LSAABWMUKSCCLT-OAHLLOKOSA-N 0 3 302.378 1.622 20 10 DDCDHN Cc1cccc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1[O-] ZINC000293635274 409151594 /nfs/dbraw/zinc/15/15/94/409151594.db2.gz LSAABWMUKSCCLT-OAHLLOKOSA-N 0 3 302.378 1.622 20 10 DDCDHN CC[C@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1ccc(C)cc1[O-] ZINC000280173450 409263451 /nfs/dbraw/zinc/26/34/51/409263451.db2.gz RFWFJGJVMMKCHF-INIZCTEOSA-N 0 3 319.449 1.952 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC000295100518 409320804 /nfs/dbraw/zinc/32/08/04/409320804.db2.gz KKCAZMBIWPXUMW-KBPBESRZSA-N 0 3 308.422 1.898 20 10 DDCDHN CC[C@@]1(CO)CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298680490 410342023 /nfs/dbraw/zinc/34/20/23/410342023.db2.gz YYIADOZHBXJQLB-SFHVURJKSA-N 0 3 319.449 1.606 20 10 DDCDHN CN(Cc1ccccc1O)C(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000376242861 418694265 /nfs/dbraw/zinc/69/42/65/418694265.db2.gz YVOORICBXHEQOE-JCKWVBRZSA-N 0 3 318.417 1.883 20 10 DDCDHN CNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000180219395 524116127 /nfs/dbraw/zinc/11/61/27/524116127.db2.gz GPGRLRCXEJZVNI-NSHDSACASA-N 0 3 308.378 1.367 20 10 DDCDHN CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000180219395 524116133 /nfs/dbraw/zinc/11/61/33/524116133.db2.gz GPGRLRCXEJZVNI-NSHDSACASA-N 0 3 308.378 1.367 20 10 DDCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCN1CCO ZINC000190238035 697586333 /nfs/dbraw/zinc/58/63/33/697586333.db2.gz BQEUYBGLWFRZCN-INIZCTEOSA-N 0 3 319.449 1.022 20 10 DDCDHN COc1c([O-])c(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000775071580 697960170 /nfs/dbraw/zinc/96/01/70/697960170.db2.gz BLJYOUXMLGTQHE-GHMZBOCLSA-N 0 3 309.366 1.833 20 10 DDCDHN COc1c([O-])c(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000775071580 697960173 /nfs/dbraw/zinc/96/01/73/697960173.db2.gz BLJYOUXMLGTQHE-GHMZBOCLSA-N 0 3 309.366 1.833 20 10 DDCDHN C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C(=O)N1c1cnn(C)c1 ZINC000779087586 698394810 /nfs/dbraw/zinc/39/48/10/698394810.db2.gz OSIRDTBLMRVQTC-HZMBPMFUSA-N 0 3 318.352 1.548 20 10 DDCDHN COCCOC1CN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000779432542 698423060 /nfs/dbraw/zinc/42/30/60/698423060.db2.gz UQEQTXZMAHRTCS-UHFFFAOYSA-N 0 3 319.449 1.286 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000725845156 699335926 /nfs/dbraw/zinc/33/59/26/699335926.db2.gz QGLLBDOKCVYBEU-UHFFFAOYSA-N 0 3 304.390 1.891 20 10 DDCDHN CCCCN(CCNS(=O)(=O)CC)Cc1ccccc1O ZINC000801595524 700325551 /nfs/dbraw/zinc/32/55/51/700325551.db2.gz MTXGCHWEJJTYAA-UHFFFAOYSA-N 0 3 314.451 1.934 20 10 DDCDHN CCCC[N@H+](CCNS(=O)(=O)CC)Cc1ccccc1[O-] ZINC000801595524 700325553 /nfs/dbraw/zinc/32/55/53/700325553.db2.gz MTXGCHWEJJTYAA-UHFFFAOYSA-N 0 3 314.451 1.934 20 10 DDCDHN CCCC[N@@H+](CCNS(=O)(=O)CC)Cc1ccccc1[O-] ZINC000801595524 700325555 /nfs/dbraw/zinc/32/55/55/700325555.db2.gz MTXGCHWEJJTYAA-UHFFFAOYSA-N 0 3 314.451 1.934 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1F ZINC000753741551 700453117 /nfs/dbraw/zinc/45/31/17/700453117.db2.gz DWCMILCYQVQULP-OAHLLOKOSA-N 0 3 321.396 1.577 20 10 DDCDHN COc1cc(O)c(CN(C)[C@@H](CO)COC(C)C)cc1OC ZINC000809768128 701688346 /nfs/dbraw/zinc/68/83/46/701688346.db2.gz CPBRMBZFKFCUSE-ZDUSSCGKSA-N 0 3 313.394 1.627 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000812780067 702235467 /nfs/dbraw/zinc/23/54/67/702235467.db2.gz RIGQJIZDZOCEAW-UHFFFAOYSA-N 0 3 308.378 1.633 20 10 DDCDHN Cc1ccc(O)c(CN2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000840955603 702292543 /nfs/dbraw/zinc/29/25/43/702292543.db2.gz WVGQSTHXBNKWOC-UHFFFAOYSA-N 0 3 324.446 1.701 20 10 DDCDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)N1CCC[C@H](C)C1 ZINC000841007479 702308531 /nfs/dbraw/zinc/30/85/31/702308531.db2.gz OGGAHFKKCDPRNG-STQMWFEESA-N 0 3 318.421 1.444 20 10 DDCDHN COCCN(CCN(C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841957206 702635721 /nfs/dbraw/zinc/63/57/21/702635721.db2.gz PGBSLEHIQNURRE-UHFFFAOYSA-N 0 3 308.426 1.031 20 10 DDCDHN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC[C@@H]1[NH3+] ZINC000843051044 702808474 /nfs/dbraw/zinc/80/84/74/702808474.db2.gz UFLQLAXAAAPHMU-JQWIXIFHSA-N 0 3 309.366 1.868 20 10 DDCDHN COc1c([O-])c(CN2CC[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000843119358 702823035 /nfs/dbraw/zinc/82/30/35/702823035.db2.gz ZNBKVTVPFTXBDW-MRXNPFEDSA-N 0 3 321.377 1.885 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)c([O-])c1 ZINC000866520557 706720158 /nfs/dbraw/zinc/72/01/58/706720158.db2.gz GVBGJZUFSQAJNZ-MLGOLLRUSA-N 0 3 306.362 1.572 20 10 DDCDHN CC[C@@H](C(=O)N(C)CCN(C)c1ccc(OC)cc1)N(C)C ZINC000846441898 703276802 /nfs/dbraw/zinc/27/68/02/703276802.db2.gz FLMLODPBQKMOGU-INIZCTEOSA-N 0 3 307.438 1.930 20 10 DDCDHN N[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@H]1F ZINC000851656378 703823966 /nfs/dbraw/zinc/82/39/66/703823966.db2.gz IXAVQIZETMDWIV-HZPDHXFCSA-N 0 3 318.396 1.644 20 10 DDCDHN COc1cc(CN2CC[C@H](N(C)C(=O)N(C)C)C2)c(O)cc1C ZINC000853585454 704275823 /nfs/dbraw/zinc/27/58/23/704275823.db2.gz YLEYSLDJOWZGQG-AWEZNQCLSA-N 0 3 321.421 1.897 20 10 DDCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1[O-] ZINC000858489212 704717702 /nfs/dbraw/zinc/71/77/02/704717702.db2.gz WMNMVPARMOWPEH-CHWSQXEVSA-N 0 3 324.388 1.759 20 10 DDCDHN COc1cc(CN2C[C@@H](O)C[C@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000825548159 705691214 /nfs/dbraw/zinc/69/12/14/705691214.db2.gz CYFZSVOFXDFOLZ-STQMWFEESA-N 0 3 309.406 1.626 20 10 DDCDHN Cc1ccc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)c([O-])c1 ZINC000876637318 705796144 /nfs/dbraw/zinc/79/61/44/705796144.db2.gz VJKGWISYUXVUQO-INIZCTEOSA-N 0 3 311.422 1.935 20 10 DDCDHN Cc1ccc(C[N@H+](C)C[C@H](O)COCCOC(C)C)c([O-])c1 ZINC000876637318 705796147 /nfs/dbraw/zinc/79/61/47/705796147.db2.gz VJKGWISYUXVUQO-INIZCTEOSA-N 0 3 311.422 1.935 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c([O-])c1 ZINC000876960861 705939731 /nfs/dbraw/zinc/93/97/31/705939731.db2.gz ASCVLBZEBYHLPC-KRWDZBQOSA-N 0 3 322.474 1.998 20 10 DDCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C(=O)NCCF ZINC000877500664 706124585 /nfs/dbraw/zinc/12/45/85/706124585.db2.gz XBDAJKWEEHBZDF-ZDUSSCGKSA-N 0 3 323.412 1.212 20 10 DDCDHN CCc1cccc(CN2CC[C@]3(CC(C(=O)OC)=NO3)C2)c1O ZINC000877712111 706185343 /nfs/dbraw/zinc/18/53/43/706185343.db2.gz FZVPRXWCZADSCR-KRWDZBQOSA-N 0 3 318.373 1.848 20 10 DDCDHN OC[C@@H]1CSCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877780465 706208488 /nfs/dbraw/zinc/20/84/88/706208488.db2.gz RZHWSFXUKGMJQG-MRXNPFEDSA-N 0 3 322.474 1.557 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NC(=O)CNC[C@@H]2CCCO2)c1 ZINC000828667982 706215123 /nfs/dbraw/zinc/21/51/23/706215123.db2.gz XLBXMAMHDMUEDH-YPMHNXCESA-N 0 3 308.378 1.347 20 10 DDCDHN CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834541587 707083516 /nfs/dbraw/zinc/08/35/16/707083516.db2.gz ZXCKIHZHSOZHJX-LBPRGKRZSA-N 0 3 312.435 1.687 20 10 DDCDHN CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)O1 ZINC000834702581 707104714 /nfs/dbraw/zinc/10/47/14/707104714.db2.gz RPQWOSYZZOZAMF-YDHLFZDLSA-N 0 3 304.390 1.605 20 10 DDCDHN COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834774788 707114526 /nfs/dbraw/zinc/11/45/26/707114526.db2.gz ROJRYICHQKESSC-IIAWOOMASA-N 0 3 307.390 1.790 20 10 DDCDHN CN(C)c1ccc([C@H](CN2C(=O)N[C@H](CF)C2=O)N(C)C)cc1 ZINC000900185067 709319325 /nfs/dbraw/zinc/31/93/25/709319325.db2.gz JFWAOMIXELZMBR-KGLIPLIRSA-N 0 3 322.384 1.245 20 10 DDCDHN COc1cccc(CNC(=O)c2ccnn2CCN(C)C)c1O ZINC000901128034 709937544 /nfs/dbraw/zinc/93/75/44/709937544.db2.gz TWTKAAKRKZMPGK-UHFFFAOYSA-N 0 3 318.377 1.089 20 10 DDCDHN COC/C=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246449 710140399 /nfs/dbraw/zinc/14/03/99/710140399.db2.gz NWQXVWSCSXMSIY-MOEXGYKKSA-N 0 3 305.422 1.674 20 10 DDCDHN Cc1nc[nH]c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247752 710140576 /nfs/dbraw/zinc/14/05/76/710140576.db2.gz VBGVSJHGAOQYBW-HNNXBMFYSA-N 0 3 315.421 1.817 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)CCCCO)N(C)C)cc1 ZINC000891247146 710140638 /nfs/dbraw/zinc/14/06/38/710140638.db2.gz FXOSTMDDCYRLNU-INIZCTEOSA-N 0 3 307.438 1.634 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnsn2)N(C)C)cc1 ZINC000891254751 710143186 /nfs/dbraw/zinc/14/31/86/710143186.db2.gz IYDCDPHIHOOHGG-AWEZNQCLSA-N 0 3 319.434 1.637 20 10 DDCDHN COC[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891470346 710210795 /nfs/dbraw/zinc/21/07/95/710210795.db2.gz MCKBNTHOPIFEIL-CJNGLKHVSA-N 0 3 322.453 1.689 20 10 DDCDHN COc1cc(C)cc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000894003369 710920257 /nfs/dbraw/zinc/92/02/57/710920257.db2.gz WDBDAFRITLSJHK-CVEARBPZSA-N 0 3 320.433 1.740 20 10 DDCDHN COc1ccc(N2CC[C@H](CNc3ccncc3CO)C2)cc1 ZINC000894269582 711044741 /nfs/dbraw/zinc/04/47/41/711044741.db2.gz ULMRBHZWZFHBDZ-CQSZACIVSA-N 0 3 313.401 1.943 20 10 DDCDHN C[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cc(F)ccc1[O-] ZINC000903431799 711124453 /nfs/dbraw/zinc/12/44/53/711124453.db2.gz BFLWGFPVQOOUNF-SNVBAGLBSA-N 0 3 307.325 1.535 20 10 DDCDHN C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cn(C)nn1 ZINC000903449216 711131071 /nfs/dbraw/zinc/13/10/71/711131071.db2.gz WYKPXGMIAREWGH-SUMWQHHRSA-N 0 3 316.453 1.835 20 10 DDCDHN Oc1ccc(CNC(=S)NCCN2CCCCC2)c(O)c1 ZINC001200442806 748236038 /nfs/dbraw/zinc/23/60/38/748236038.db2.gz PLXVRUCSVJOHFT-UHFFFAOYSA-N 0 3 309.435 1.548 20 10 DDCDHN COC(=O)N1CC(NCc2ccc(N3CCOCC3)cc2)C1 ZINC001202074016 748686734 /nfs/dbraw/zinc/68/67/34/748686734.db2.gz HJCDKRYKOJESSY-UHFFFAOYSA-N 0 3 305.378 1.063 20 10 DDCDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(Cc2ccccc2O)C1 ZINC001203550211 751153674 /nfs/dbraw/zinc/15/36/74/751153674.db2.gz MLZXBIVHWBDEHY-KBPBESRZSA-N 0 3 322.405 1.852 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)c(OC)c1 ZINC001272816065 847494485 /nfs/dbraw/zinc/49/44/85/847494485.db2.gz YLFHFHSPBFYZLW-QGZVFWFLSA-N 0 3 320.389 1.464 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CC[C@]3(CCN(C)C3=O)C2)c(OC)c1 ZINC001272816065 847494494 /nfs/dbraw/zinc/49/44/94/847494494.db2.gz YLFHFHSPBFYZLW-QGZVFWFLSA-N 0 3 320.389 1.464 20 10 DDCDHN Cc1cccc(CN2CC3(CN(CCn4ccnc4)C3)C2)c1O ZINC001276080236 854712857 /nfs/dbraw/zinc/71/28/57/854712857.db2.gz KZKQWYMLJSQYNR-UHFFFAOYSA-N 0 3 312.417 1.715 20 10 DDCDHN CN1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138336567 860062018 /nfs/dbraw/zinc/06/20/18/860062018.db2.gz UXKXPTKHZMAVDO-UHFFFAOYSA-N 0 3 301.434 1.838 20 10 DDCDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCC1=O ZINC001139404769 860388136 /nfs/dbraw/zinc/38/81/36/860388136.db2.gz ZRBBOQLQQBCHCC-HNNXBMFYSA-N 0 3 301.434 1.849 20 10 DDCDHN COCCN1C[C@@H]2C[N@H+](Cc3ccc(C)cc3[O-])C[C@@H]2C1=O ZINC001140949537 860744902 /nfs/dbraw/zinc/74/49/02/860744902.db2.gz DLLHPKBVLVPIOD-GJZGRUSLSA-N 0 3 304.390 1.237 20 10 DDCDHN COCCN1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3[O-])C[C@@H]2C1=O ZINC001140949537 860744909 /nfs/dbraw/zinc/74/49/09/860744909.db2.gz DLLHPKBVLVPIOD-GJZGRUSLSA-N 0 3 304.390 1.237 20 10 DDCDHN C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]2C1 ZINC001336970870 869240276 /nfs/dbraw/zinc/24/02/76/869240276.db2.gz JQEGDSDATMVALM-JHJVBQTASA-N 0 3 304.390 1.900 20 10 DDCDHN COCCCCN1CCN(Cc2ccc(OC)cc2O)CC1 ZINC001203635021 870689251 /nfs/dbraw/zinc/68/92/51/870689251.db2.gz GINOVWVTZWECCP-UHFFFAOYSA-N 0 3 308.422 1.945 20 10 DDCDHN COc1ccc(C[NH+]2CCC3(CC2)N=C(C)N(C)C3=O)c([O-])c1 ZINC001203635013 870689529 /nfs/dbraw/zinc/68/95/29/870689529.db2.gz GDALPBZUAWEJNB-UHFFFAOYSA-N 0 3 317.389 1.626 20 10 DDCDHN COc1ccc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)c([O-])c1 ZINC001203635181 870690303 /nfs/dbraw/zinc/69/03/03/870690303.db2.gz NNFAOUJCMZYTRZ-AWEZNQCLSA-N 0 3 301.346 1.844 20 10 DDCDHN COc1ccc(C[N@H+]2CC[C@H](Oc3cnccn3)C2)c([O-])c1 ZINC001203635181 870690319 /nfs/dbraw/zinc/69/03/19/870690319.db2.gz NNFAOUJCMZYTRZ-AWEZNQCLSA-N 0 3 301.346 1.844 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)[C@H]2CNCCN2C)cc1F ZINC001340076257 870877553 /nfs/dbraw/zinc/87/75/53/870877553.db2.gz AQMCGAYZLVAKQP-MRXNPFEDSA-N 0 3 322.428 1.192 20 10 DDCDHN COC(=O)c1c(CN2C[C@@H](F)[C@@H](N)C2)c2ccccc2n1C ZINC001204830131 871250521 /nfs/dbraw/zinc/25/05/21/871250521.db2.gz KVYLRAIZLDMLDT-OLZOCXBDSA-N 0 3 305.353 1.446 20 10 DDCDHN COC(=O)[C@@H](O)C1CC[NH+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001308604570 871514985 /nfs/dbraw/zinc/51/49/85/871514985.db2.gz UBCVJMCSCWRFST-INIZCTEOSA-N 0 3 323.389 1.455 20 10 DDCDHN Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2CNCCN2)cc1 ZINC001218954888 877830527 /nfs/dbraw/zinc/83/05/27/877830527.db2.gz GVJHLSVDCAHIFO-KRWDZBQOSA-N 0 3 310.401 1.363 20 10 DDCDHN COc1cnc(N2CCN(Cc3cccc(C)c3O)CC2)nc1 ZINC001231595509 885757057 /nfs/dbraw/zinc/75/70/57/885757057.db2.gz XSPPUVOLNVSDAT-UHFFFAOYSA-N 0 3 314.389 1.821 20 10 DDCDHN Cc1ccc(CN2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)N(C)C)c(O)c1 ZINC001277566894 885874591 /nfs/dbraw/zinc/87/45/91/885874591.db2.gz DCJDGJOOWQTEDB-ABFRBSLYSA-N 0 3 318.417 1.503 20 10 DDCDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@H](CC(=O)N(C)C)O[C@H]3C2)c([O-])c1 ZINC001277569139 885884238 /nfs/dbraw/zinc/88/42/38/885884238.db2.gz WAYSBWMYWVIGBX-INMHGKMJSA-N 0 3 318.417 1.768 20 10 DDCDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](CC(=O)N(C)C)O[C@H]3C2)c([O-])c1 ZINC001277569139 885884250 /nfs/dbraw/zinc/88/42/50/885884250.db2.gz WAYSBWMYWVIGBX-INMHGKMJSA-N 0 3 318.417 1.768 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N(C)C)C2)c(OC)c1 ZINC001277589263 885956083 /nfs/dbraw/zinc/95/60/83/885956083.db2.gz YIHIRTRGECOSKH-PIGZYNQJSA-N 0 3 320.389 1.320 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N(C)C)C2)c(OC)c1 ZINC001277589263 885956090 /nfs/dbraw/zinc/95/60/90/885956090.db2.gz YIHIRTRGECOSKH-PIGZYNQJSA-N 0 3 320.389 1.320 20 10 DDCDHN COc1cc([O-])c(CN2CC[C@@H]([NH3+])C2)c(Br)c1 ZINC001236173300 889125652 /nfs/dbraw/zinc/12/56/52/889125652.db2.gz IFBKXPXJKBINLO-MRVPVSSYSA-N 0 3 301.184 1.696 20 10 DDCDHN COc1ccc(CN[C@H](CO)CNC(=O)[C@@H](C)C(C)C)cc1C ZINC001278165398 889949629 /nfs/dbraw/zinc/94/96/29/889949629.db2.gz WNWXJTIVQSNWDC-HOCLYGCPSA-N 0 3 322.449 1.862 20 10 DDCDHN NC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]2CCCO[C@H]21 ZINC001278255474 890287413 /nfs/dbraw/zinc/28/74/13/890287413.db2.gz VFXKCJAAAYIRBF-RIEGTJTDSA-N 0 3 308.353 1.244 20 10 DDCDHN NC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]2CCCO[C@H]21 ZINC001278255474 890287432 /nfs/dbraw/zinc/28/74/32/890287432.db2.gz VFXKCJAAAYIRBF-RIEGTJTDSA-N 0 3 308.353 1.244 20 10 DDCDHN Cc1ccc(C)c(CN2CC[C@@H](C(N)=O)n3nccc3C2)c1O ZINC001278354083 891541294 /nfs/dbraw/zinc/54/12/94/891541294.db2.gz DJAMKIWPIGSONJ-HNNXBMFYSA-N 0 3 314.389 1.638 20 10 DDCDHN COc1ccc(CN[C@H](CO)CC(F)(F)F)c(O)c1OC ZINC001262363698 900132966 /nfs/dbraw/zinc/13/29/66/900132966.db2.gz AXVBXQHVGBRPID-VIFPVBQESA-N 0 3 309.284 1.812 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](O)Cc1ccccc1)OCO2 ZINC000105492943 194106853 /nfs/dbraw/zinc/10/68/53/194106853.db2.gz ZOXLJAHSMHFSTH-AWEZNQCLSA-N 0 3 301.342 1.814 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c([O-])c1C ZINC000273401712 130117002 /nfs/dbraw/zinc/11/70/02/130117002.db2.gz NFLGWWDZIWEMCI-ZDUSSCGKSA-N 0 3 306.406 1.942 20 10 DDCDHN COC(=O)c1cn(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])nn1 ZINC000284185965 131056554 /nfs/dbraw/zinc/05/65/54/131056554.db2.gz AVRIUKINKZWMSY-NSHDSACASA-N 0 3 304.350 1.430 20 10 DDCDHN C[C@@H](NCCC(=O)N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000178669446 407539347 /nfs/dbraw/zinc/53/93/47/407539347.db2.gz LMVBASCMBBYMHH-OAHLLOKOSA-N 0 3 318.465 1.567 20 10 DDCDHN C[C@H](NCC(=O)N1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000186235278 407616414 /nfs/dbraw/zinc/61/64/14/407616414.db2.gz OCBVVKGBOHRJQR-ZDUSSCGKSA-N 0 3 318.417 1.780 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@]3(CCOC3)C2)cc1 ZINC000153592141 407858606 /nfs/dbraw/zinc/85/86/06/407858606.db2.gz MAPCXEVVBYEVBP-GOSISDBHSA-N 0 3 317.433 1.481 20 10 DDCDHN COc1ccc(N2CCCN([C@H]3CCCCNC3=O)CC2)cc1 ZINC000245617848 408028934 /nfs/dbraw/zinc/02/89/34/408028934.db2.gz NBKYNAYRDHSZCB-KRWDZBQOSA-N 0 3 317.433 1.876 20 10 DDCDHN C[C@H]1CN(c2ccc(CNC(=O)C(C)(C)N)cc2F)C[C@H](C)O1 ZINC000269253987 408234690 /nfs/dbraw/zinc/23/46/90/408234690.db2.gz RBGIFQBQTFMFSW-RYUDHWBXSA-N 0 3 323.412 1.793 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@H]2CCOC2(C)C)cc1 ZINC000295229521 409386778 /nfs/dbraw/zinc/38/67/78/409386778.db2.gz ODCYFDLSGFDQKX-INIZCTEOSA-N 0 3 319.449 1.868 20 10 DDCDHN C[C@@H](N[C@@H]1COC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000295984415 409392139 /nfs/dbraw/zinc/39/21/39/409392139.db2.gz PAFQGHOXDLLNHJ-DJSGYFEHSA-N 0 3 310.369 1.073 20 10 DDCDHN CN(Cc1cccs1)c1ccc(CN2C[C@@H](O)[C@H](O)C2)cc1 ZINC000296969259 409732726 /nfs/dbraw/zinc/73/27/26/409732726.db2.gz USSGRPOEEMTPHQ-IAGOWNOFSA-N 0 3 318.442 1.922 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CCCC[C@@H](CO)C2)cc1 ZINC000374053090 418486034 /nfs/dbraw/zinc/48/60/34/418486034.db2.gz UQBRPARTEDEOTI-MRXNPFEDSA-N 0 3 319.449 1.463 20 10 DDCDHN CCN(CC)c1ccc(CNC[C@@H]2CN(C)CCN2C)cc1 ZINC000264769356 222335512 /nfs/dbraw/zinc/33/55/12/222335512.db2.gz QWYCCBZNBYKJBI-GOSISDBHSA-N 0 3 304.482 1.868 20 10 DDCDHN CCOc1ccc(O)c(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000375488245 418647588 /nfs/dbraw/zinc/64/75/88/418647588.db2.gz ZHMHSJOGRXHWCQ-SGIREYDYSA-N 0 3 304.390 1.877 20 10 DDCDHN CN(C)c1ccc(C2=CCN(C[C@@H](O)Cn3cccn3)C2)cc1 ZINC000368036191 418677458 /nfs/dbraw/zinc/67/74/58/418677458.db2.gz QONKFTJAWKGUQM-GOSISDBHSA-N 0 3 312.417 1.709 20 10 DDCDHN O=C1NCCN1[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000372434359 418869896 /nfs/dbraw/zinc/86/98/96/418869896.db2.gz AJQRNVTUTJAPGG-LBPRGKRZSA-N 0 3 319.361 1.111 20 10 DDCDHN CCN(C)c1ccc([C@H](C)NCCNC(=O)c2ccn[nH]2)cc1 ZINC000180218745 520286363 /nfs/dbraw/zinc/28/63/63/520286363.db2.gz RXQQMZGZJSSVSM-ZDUSSCGKSA-N 0 3 315.421 1.946 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c1[O-] ZINC000365654543 522538609 /nfs/dbraw/zinc/53/86/09/522538609.db2.gz RHPPZTMMHUFDHX-CMPLNLGQSA-N 0 3 310.781 1.622 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c1[O-] ZINC000365654543 522538619 /nfs/dbraw/zinc/53/86/19/522538619.db2.gz RHPPZTMMHUFDHX-CMPLNLGQSA-N 0 3 310.781 1.622 20 10 DDCDHN COc1ccc(O)c(CN2CCN(CC(C)(C)O)[C@@H](C)C2)c1 ZINC000188888280 524741659 /nfs/dbraw/zinc/74/16/59/524741659.db2.gz COHQQSBWIBCGEX-ZDUSSCGKSA-N 0 3 308.422 1.678 20 10 DDCDHN CC1(CNCc2ccc(N3CCOCC3)cc2)OCCCO1 ZINC000192251366 697624408 /nfs/dbraw/zinc/62/44/08/697624408.db2.gz RQIACCRHPUOACU-UHFFFAOYSA-N 0 3 306.406 1.766 20 10 DDCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1O ZINC000779200269 698401307 /nfs/dbraw/zinc/40/13/07/698401307.db2.gz YSEKYRJGVGWMBY-SUMWQHHRSA-N 0 3 308.397 1.865 20 10 DDCDHN COc1cccc(O)c1CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000783723952 698870911 /nfs/dbraw/zinc/87/09/11/698870911.db2.gz SCARMMLGMWKKRW-CYBMUJFWSA-N 0 3 308.422 1.678 20 10 DDCDHN COc1ccc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)c([O-])c1 ZINC000793388085 699753213 /nfs/dbraw/zinc/75/32/13/699753213.db2.gz LIARJVGNFSPICT-LLVKDONJSA-N 0 3 313.419 1.704 20 10 DDCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)C1(S(C)(=O)=O)CC1 ZINC000796492568 699935846 /nfs/dbraw/zinc/93/58/46/699935846.db2.gz VBJBWZUOJNSEFX-LLVKDONJSA-N 0 3 314.426 1.947 20 10 DDCDHN CC[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccccc1[O-] ZINC000761500656 700862095 /nfs/dbraw/zinc/86/20/95/700862095.db2.gz YKNUUEDOPGNVMB-MRXNPFEDSA-N 0 3 319.449 1.986 20 10 DDCDHN CC(=O)c1cc(Cl)cc(CN(C)[C@@]2(CO)CCOC2)c1O ZINC000763880986 700951407 /nfs/dbraw/zinc/95/14/07/700951407.db2.gz KRPRCYWFXWSOCW-OAHLLOKOSA-N 0 3 313.781 1.831 20 10 DDCDHN C[C@@H](N[C@@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000764629205 700979357 /nfs/dbraw/zinc/97/93/57/700979357.db2.gz LHBGLLBUSFDDTH-CZUORRHYSA-N 0 3 303.406 1.452 20 10 DDCDHN CCOc1ccc(C[NH2+]CC2(N3CCOCC3)CC2)c([O-])c1 ZINC000766222358 701043059 /nfs/dbraw/zinc/04/30/59/701043059.db2.gz FYGCGUAWIYXIRN-UHFFFAOYSA-N 0 3 306.406 1.745 20 10 DDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(C3OCCO3)CC1)[C@@H](O)CO2 ZINC000768448141 701177956 /nfs/dbraw/zinc/17/79/56/701177956.db2.gz SIPUCAVFKBJTGN-HNNXBMFYSA-N 0 3 321.373 1.403 20 10 DDCDHN C[N@H+](CCCn1ccnc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464133 701180052 /nfs/dbraw/zinc/18/00/52/701180052.db2.gz ZZDCLQAIBQXJRP-HNNXBMFYSA-N 0 3 303.362 1.537 20 10 DDCDHN C[N@@H+](CCCn1ccnc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464133 701180053 /nfs/dbraw/zinc/18/00/53/701180053.db2.gz ZZDCLQAIBQXJRP-HNNXBMFYSA-N 0 3 303.362 1.537 20 10 DDCDHN Cc1cc(CN2CCN(C(C)(C)CO)CC2)ccc1N(C)C ZINC000815069820 701792404 /nfs/dbraw/zinc/79/24/04/701792404.db2.gz LWBROZNTBIHGMR-UHFFFAOYSA-N 0 3 305.466 1.950 20 10 DDCDHN Cc1cc(CN2CCN(CCCCO)CC2)ccc1N(C)C ZINC000815071299 701793194 /nfs/dbraw/zinc/79/31/94/701793194.db2.gz RZIASOPUBAMSQW-UHFFFAOYSA-N 0 3 305.466 1.951 20 10 DDCDHN CN1CCN(c2ccc(CN3CCO[C@@H](CF)C3)cc2)CC1 ZINC000840954620 702292632 /nfs/dbraw/zinc/29/26/32/702292632.db2.gz LJNYIYGPIMJKKL-KRWDZBQOSA-N 0 3 307.413 1.609 20 10 DDCDHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841015889 702310916 /nfs/dbraw/zinc/31/09/16/702310916.db2.gz KAGHZEDRUKRESZ-AWEZNQCLSA-N 0 3 306.410 1.300 20 10 DDCDHN CC(C)N1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841028639 702316058 /nfs/dbraw/zinc/31/60/58/702316058.db2.gz QKCKEWUYPOBZNX-UHFFFAOYSA-N 0 3 304.394 1.150 20 10 DDCDHN COC[C@@]1(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])CCC[NH2+]1 ZINC000817974202 702541070 /nfs/dbraw/zinc/54/10/70/702541070.db2.gz JIPHSEKISFQNIG-PXAZEXFGSA-N 0 3 322.405 1.598 20 10 DDCDHN CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000843432738 702880471 /nfs/dbraw/zinc/88/04/71/702880471.db2.gz OSWIKWLVIGHDSJ-ZDUSSCGKSA-N 0 3 302.296 1.893 20 10 DDCDHN CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000843432738 702880473 /nfs/dbraw/zinc/88/04/73/702880473.db2.gz OSWIKWLVIGHDSJ-ZDUSSCGKSA-N 0 3 302.296 1.893 20 10 DDCDHN CCN(CC)c1ccc(CN2C[C@@H](O)C[C@H](C(=O)OC)C2)cc1 ZINC000843434292 702881355 /nfs/dbraw/zinc/88/13/55/702881355.db2.gz JONMLMOJSNHXGU-RDJZCZTQSA-N 0 3 320.433 1.889 20 10 DDCDHN O=C1CC[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)N1 ZINC000844305660 703009345 /nfs/dbraw/zinc/00/93/45/703009345.db2.gz DPJLUQNFIPQQPO-LSDHHAIUSA-N 0 3 304.390 1.652 20 10 DDCDHN O=C1CC[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)N1 ZINC000844305660 703009347 /nfs/dbraw/zinc/00/93/47/703009347.db2.gz DPJLUQNFIPQQPO-LSDHHAIUSA-N 0 3 304.390 1.652 20 10 DDCDHN CCS(=O)(=O)C[C@H](C)N[C@H](C)c1cccc(OC)c1O ZINC000846151075 703243247 /nfs/dbraw/zinc/24/32/47/703243247.db2.gz UUJHCKAYULVMRZ-WDEREUQCSA-N 0 3 301.408 1.875 20 10 DDCDHN COCCNC(=O)C1(N[C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846168173 703245720 /nfs/dbraw/zinc/24/57/20/703245720.db2.gz HTDLZJLFJUORMH-NSHDSACASA-N 0 3 308.378 1.347 20 10 DDCDHN CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000879648301 706749628 /nfs/dbraw/zinc/74/96/28/706749628.db2.gz JFGOOBRYCVYQSO-TZMCWYRMSA-N 0 3 319.405 1.170 20 10 DDCDHN COC(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000879648143 706749701 /nfs/dbraw/zinc/74/97/01/706749701.db2.gz ZVXFAHXJJYAADD-GFCCVEGCSA-N 0 3 320.389 1.454 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC000848243848 703531320 /nfs/dbraw/zinc/53/13/20/703531320.db2.gz RPEOAUTVDSDUBD-OAHLLOKOSA-N 0 3 319.449 1.932 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2CCC([NH2+]CCO)CC2)c1[O-] ZINC000866684765 706764492 /nfs/dbraw/zinc/76/44/92/706764492.db2.gz SJLHKULNHQUMBU-UHFFFAOYSA-N 0 3 310.369 1.280 20 10 DDCDHN CCCN(C)CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819581897 704144964 /nfs/dbraw/zinc/14/49/64/704144964.db2.gz FPRCZJFYPMSIRT-OAHLLOKOSA-N 0 3 319.449 1.980 20 10 DDCDHN O=C1NCC[C@H]1CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000821390888 704402814 /nfs/dbraw/zinc/40/28/14/704402814.db2.gz FOKZOMUAEFCJPA-GOEBONIOSA-N 0 3 318.417 1.899 20 10 DDCDHN O=C1NCC[C@H]1CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000821390888 704402816 /nfs/dbraw/zinc/40/28/16/704402816.db2.gz FOKZOMUAEFCJPA-GOEBONIOSA-N 0 3 318.417 1.899 20 10 DDCDHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C(=O)N(C)C ZINC000877473930 706117182 /nfs/dbraw/zinc/11/71/82/706117182.db2.gz NVBYEIKYXZIPFD-ZDUSSCGKSA-N 0 3 305.422 1.214 20 10 DDCDHN CCOC(=O)[C@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCCOC1 ZINC000877698071 706181843 /nfs/dbraw/zinc/18/18/43/706181843.db2.gz GZAKIBWXOOVZBW-INIZCTEOSA-N 0 3 311.353 1.981 20 10 DDCDHN Cc1c[nH]cc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c1=O ZINC000832283899 706884365 /nfs/dbraw/zinc/88/43/65/706884365.db2.gz CXXGPSIQNIYABW-HNNXBMFYSA-N 0 3 314.389 1.179 20 10 DDCDHN CCN(CC)CC[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000883160834 707944182 /nfs/dbraw/zinc/94/41/82/707944182.db2.gz BQVLOTRKRNRAJS-CYBMUJFWSA-N 0 3 311.382 1.483 20 10 DDCDHN CCN1CCC[C@@H](NCc2cc(OC)c(OC)cc2O)C1=O ZINC000896732609 708134968 /nfs/dbraw/zinc/13/49/68/708134968.db2.gz AJUJOUIEDCDRGP-GFCCVEGCSA-N 0 3 308.378 1.510 20 10 DDCDHN CN(C)c1ccc(/C=C\CN2CC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000897063362 708221103 /nfs/dbraw/zinc/22/11/03/708221103.db2.gz UGYNEDXSZUWRJE-ABCZVMIZSA-N 0 3 323.462 1.376 20 10 DDCDHN CCN(CCO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102213 708983391 /nfs/dbraw/zinc/98/33/91/708983391.db2.gz OEWKASHQAPZAAH-MRXNPFEDSA-N 0 3 322.453 1.379 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)COC2CC2)N(C)C)cc1 ZINC000891248521 710141263 /nfs/dbraw/zinc/14/12/63/710141263.db2.gz XXHNCPFZQWACEM-INIZCTEOSA-N 0 3 305.422 1.651 20 10 DDCDHN CCON(CC)C(=O)CNCc1ccc(OC)c(OC)c1O ZINC000895558571 711541488 /nfs/dbraw/zinc/54/14/88/711541488.db2.gz KNCJWMNTCJRZMB-UHFFFAOYSA-N 0 3 312.366 1.299 20 10 DDCDHN Nc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000904501665 711864820 /nfs/dbraw/zinc/86/48/20/711864820.db2.gz VTNVQGDJSJKUMG-CABCVRRESA-N 0 3 304.394 1.332 20 10 DDCDHN C[C@@H](NC(=O)c1ccnn1CCN(C)C)c1ccccc1O ZINC000913763519 713297521 /nfs/dbraw/zinc/29/75/21/713297521.db2.gz JDSMWWIYHGYECP-GFCCVEGCSA-N 0 3 302.378 1.641 20 10 DDCDHN Cc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)nc(N)n1 ZINC000914570693 713397485 /nfs/dbraw/zinc/39/74/85/713397485.db2.gz IDNZOWGJYRTOOD-UHFFFAOYSA-N 0 3 313.405 1.840 20 10 DDCDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CCN1C ZINC000915367073 713417490 /nfs/dbraw/zinc/41/74/90/713417490.db2.gz VHHHYZXEKKYMRL-FZMZJTMJSA-N 0 3 308.401 1.784 20 10 DDCDHN C[C@H]1[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1C ZINC000915390798 713418086 /nfs/dbraw/zinc/41/80/86/713418086.db2.gz QMZWZBUSYDENMF-BBRMVZONSA-N 0 3 316.449 1.961 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000919081995 713581048 /nfs/dbraw/zinc/58/10/48/713581048.db2.gz QDRDQFBSFRGWPD-XJKSGUPXSA-N 0 3 304.438 1.953 20 10 DDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929753694 713682917 /nfs/dbraw/zinc/68/29/17/713682917.db2.gz UTVDXPUSNCBJDC-WBVHZDCISA-N 0 3 309.406 1.507 20 10 DDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929753694 713682919 /nfs/dbraw/zinc/68/29/19/713682919.db2.gz UTVDXPUSNCBJDC-WBVHZDCISA-N 0 3 309.406 1.507 20 10 DDCDHN CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc([O-])cs1)C2 ZINC000926149466 715015335 /nfs/dbraw/zinc/01/53/35/715015335.db2.gz BNNLPEHAYRQCKE-UNIGVISCSA-N 0 3 324.446 1.663 20 10 DDCDHN CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc([O-])cs1)C2 ZINC000926149466 715015337 /nfs/dbraw/zinc/01/53/37/715015337.db2.gz BNNLPEHAYRQCKE-UNIGVISCSA-N 0 3 324.446 1.663 20 10 DDCDHN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCN2CCO)cc1 ZINC001028339862 739376518 /nfs/dbraw/zinc/37/65/18/739376518.db2.gz DZZKBPKVHCVZQJ-ZDUSSCGKSA-N 0 3 319.365 1.036 20 10 DDCDHN CN(C)C[C@H]1COCCN1C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180126026 779632226 /nfs/dbraw/zinc/63/22/26/779632226.db2.gz ACQARWBBHUDCFK-JEJOPICUSA-N 0 3 317.433 1.555 20 10 DDCDHN C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001270070024 842269249 /nfs/dbraw/zinc/26/92/49/842269249.db2.gz SJDNUTASDDLPBV-MRXNPFEDSA-N 0 3 306.362 1.361 20 10 DDCDHN C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001270070024 842269259 /nfs/dbraw/zinc/26/92/59/842269259.db2.gz SJDNUTASDDLPBV-MRXNPFEDSA-N 0 3 306.362 1.361 20 10 DDCDHN CN(C)c1ccc(CN2C[C@]3(CCN(C)C3)OCC2=O)cc1 ZINC001273526570 851060115 /nfs/dbraw/zinc/06/01/15/851060115.db2.gz IYDZJUPZKLMTJY-QGZVFWFLSA-N 0 3 303.406 1.186 20 10 DDCDHN CN(C)c1ccc(CN2C[C@]3(CC2=O)COCCN(C)C3)cc1 ZINC001273526486 851060578 /nfs/dbraw/zinc/06/05/78/851060578.db2.gz GKSQSDXSVZCSQD-GOSISDBHSA-N 0 3 317.433 1.433 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccc(C)cc3[O-])CC[C@@H]21 ZINC001140952074 860746059 /nfs/dbraw/zinc/74/60/59/860746059.db2.gz DDVNJNMFYFNVNB-FUHWJXTLSA-N 0 3 318.417 1.912 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccc(C)cc3[O-])CC[C@@H]21 ZINC001140952074 860746060 /nfs/dbraw/zinc/74/60/60/860746060.db2.gz DDVNJNMFYFNVNB-FUHWJXTLSA-N 0 3 318.417 1.912 20 10 DDCDHN CN(CCCO)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001320090222 866463370 /nfs/dbraw/zinc/46/33/70/866463370.db2.gz KMDKWOMOXBZBFO-UHFFFAOYSA-N 0 3 321.381 1.235 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001321015708 867220619 /nfs/dbraw/zinc/22/06/19/867220619.db2.gz MIOZIQCHYYYLSE-AWEZNQCLSA-N 0 3 309.406 1.916 20 10 DDCDHN COc1cc(N2CCN([C@@H](C)[C@@H](C)O)CC2)cc(OC)c1OC ZINC001307665773 871448374 /nfs/dbraw/zinc/44/83/74/871448374.db2.gz DBZVJOQNWQRGBI-QWHCGFSZSA-N 0 3 324.421 1.604 20 10 DDCDHN CCN1CCN(CCC[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC001349775686 875360102 /nfs/dbraw/zinc/36/01/02/875360102.db2.gz ZNVUYOVSCBCAHB-UHFFFAOYSA-N 0 3 313.392 1.788 20 10 DDCDHN O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220212463 878824944 /nfs/dbraw/zinc/82/49/44/878824944.db2.gz KVHVMLGLSZMOKZ-PJXYFTJBSA-N 0 3 317.776 1.675 20 10 DDCDHN [NH3+][C@H](CC(=O)N[C@@H]1CNc2ccccc2C1)c1ccccc1[O-] ZINC001220602456 879130602 /nfs/dbraw/zinc/13/06/02/879130602.db2.gz WSDPRSAHVOORFE-DZGCQCFKSA-N 0 3 311.385 1.935 20 10 DDCDHN CCN(CC)c1ccc(CN[C@H]2CCC(=O)N(C)C2=O)cc1 ZINC000316381720 879371271 /nfs/dbraw/zinc/37/12/71/879371271.db2.gz SYNXJJCHMOPJBR-HNNXBMFYSA-N 0 3 303.406 1.770 20 10 DDCDHN O=C(NCC1COC1)[C@]12C[C@H]1CCN2Cc1ccccc1O ZINC001277440874 884290485 /nfs/dbraw/zinc/29/04/85/884290485.db2.gz GOJJVAYTJFRTOC-PBHICJAKSA-N 0 3 302.374 1.119 20 10 DDCDHN O=C(NCc1c[nH]cn1)[C@]12C[C@H]1CCN2Cc1ccccc1O ZINC001277441230 884294249 /nfs/dbraw/zinc/29/42/49/884294249.db2.gz JYFYPTNZHQWKNH-DYVFJYSZSA-N 0 3 312.373 1.396 20 10 DDCDHN COc1cc(CN2CCC[C@]3(CCCC(=O)N3)C2)c(O)cc1O ZINC001231635625 885772933 /nfs/dbraw/zinc/77/29/33/885772933.db2.gz WAXWGQAEKJSRRD-QGZVFWFLSA-N 0 3 320.389 1.741 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001231852958 885907194 /nfs/dbraw/zinc/90/71/94/885907194.db2.gz QAWYYSGZVZXTMH-HZPDHXFCSA-N 0 3 317.433 1.956 20 10 DDCDHN CN1CCOc2cc(CN3C[C@@H]4CC[C@H](C3)[C@H]4C(N)=O)ccc21 ZINC001277654346 886300717 /nfs/dbraw/zinc/30/07/17/886300717.db2.gz YCDOFVSUGNGZDM-XOIINTDNSA-N 0 3 315.417 1.459 20 10 DDCDHN CN(C)c1ccc(CN2CCOC3(CCOCC3)C2)c(O)c1 ZINC001232840656 886627020 /nfs/dbraw/zinc/62/70/20/886627020.db2.gz FNVDPTVCRUSPMB-UHFFFAOYSA-N 0 3 306.406 1.840 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c1[O-] ZINC001233287679 886900210 /nfs/dbraw/zinc/90/02/10/886900210.db2.gz CDQQJQJWYMCESG-OAHLLOKOSA-N 0 3 310.781 1.766 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@]3(CCNC3=O)C2)c1[O-] ZINC001233287679 886900217 /nfs/dbraw/zinc/90/02/17/886900217.db2.gz CDQQJQJWYMCESG-OAHLLOKOSA-N 0 3 310.781 1.766 20 10 DDCDHN COc1cc([O-])c(CN(C)C[C@H](C)[NH3+])cc1Br ZINC001236903498 889412859 /nfs/dbraw/zinc/41/28/59/889412859.db2.gz DTHVOFUNRCCKCM-QMMMGPOBSA-N 0 3 303.200 1.942 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)c([O-])c1 ZINC001249171775 893851158 /nfs/dbraw/zinc/85/11/58/893851158.db2.gz FOASKBMUDISAJX-JSGCOSHPSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H](CO)CC[C@@H]2C)c([O-])c1 ZINC001249171775 893851171 /nfs/dbraw/zinc/85/11/71/893851171.db2.gz FOASKBMUDISAJX-JSGCOSHPSA-N 0 3 307.390 1.701 20 10 DDCDHN COc1cccc(OC[C@@H](O)CNCc2ccc(O)c(O)c2)c1 ZINC001253980775 896199174 /nfs/dbraw/zinc/19/91/74/896199174.db2.gz VPSACQCJZQPIRA-ZDUSSCGKSA-N 0 3 319.357 1.636 20 10 DDCDHN CCOC(=O)CCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000073021425 191268913 /nfs/dbraw/zinc/26/89/13/191268913.db2.gz UERGJDNJSXSOER-UHFFFAOYSA-N 0 3 306.406 1.908 20 10 DDCDHN CNC(=O)CN1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000284088885 283316287 /nfs/dbraw/zinc/31/62/87/283316287.db2.gz MFEAEJMCBZYDDM-AWEZNQCLSA-N 0 3 319.449 1.870 20 10 DDCDHN CN(C[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1)S(C)(=O)=O ZINC000289361713 131379014 /nfs/dbraw/zinc/37/90/14/131379014.db2.gz KKMWVBXWUGMGRZ-CYBMUJFWSA-N 0 3 312.435 1.496 20 10 DDCDHN CN(C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)S(C)(=O)=O ZINC000289361713 131379015 /nfs/dbraw/zinc/37/90/15/131379015.db2.gz KKMWVBXWUGMGRZ-CYBMUJFWSA-N 0 3 312.435 1.496 20 10 DDCDHN NC(=O)N1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092754106 407191064 /nfs/dbraw/zinc/19/10/64/407191064.db2.gz ZVRSVPNDJVIXIM-UHFFFAOYSA-N 0 3 318.421 1.110 20 10 DDCDHN CCCOc1ccc(CN2CCCN(C(N)=O)CC2)c(O)c1 ZINC000092754257 407191950 /nfs/dbraw/zinc/19/19/50/407191950.db2.gz ZFBNEJCYPXWJDA-UHFFFAOYSA-N 0 3 307.394 1.767 20 10 DDCDHN O=S1(=O)CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000110068388 407398423 /nfs/dbraw/zinc/39/84/23/407398423.db2.gz YCLNMZVNLFDMDD-OAHLLOKOSA-N 0 3 324.446 1.190 20 10 DDCDHN COc1cc([O-])c(C[N@H+](CCO)C2CCN(C)CC2)cc1OC ZINC000183377919 408393262 /nfs/dbraw/zinc/39/32/62/408393262.db2.gz VLJNJNNNEZOZLC-UHFFFAOYSA-N 0 3 324.421 1.298 20 10 DDCDHN COc1cc([O-])c(C[N@@H+](CCO)C2CCN(C)CC2)cc1OC ZINC000183377919 408393269 /nfs/dbraw/zinc/39/32/69/408393269.db2.gz VLJNJNNNEZOZLC-UHFFFAOYSA-N 0 3 324.421 1.298 20 10 DDCDHN COc1cc(O)c(CN2CC[C@@H](N3CCCC3=O)C2)cc1OC ZINC000276846393 408901733 /nfs/dbraw/zinc/90/17/33/408901733.db2.gz IPGIZLPQTGEUJW-CYBMUJFWSA-N 0 3 320.389 1.606 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1 ZINC000289702469 409284801 /nfs/dbraw/zinc/28/48/01/409284801.db2.gz OPFUVNOLJUIYLZ-CXAGYDPISA-N 0 3 317.389 1.653 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1 ZINC000289702469 409284802 /nfs/dbraw/zinc/28/48/02/409284802.db2.gz OPFUVNOLJUIYLZ-CXAGYDPISA-N 0 3 317.389 1.653 20 10 DDCDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc2c(cc1[O-])OCO2 ZINC000289721778 409284806 /nfs/dbraw/zinc/28/48/06/409284806.db2.gz PHESTSDPGUYCPC-OORQEUNZSA-N 0 3 303.358 1.976 20 10 DDCDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cc2c(cc1[O-])OCO2 ZINC000289721778 409284807 /nfs/dbraw/zinc/28/48/07/409284807.db2.gz PHESTSDPGUYCPC-OORQEUNZSA-N 0 3 303.358 1.976 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCCN(CCCO)C1)OCO2 ZINC000295141104 409340258 /nfs/dbraw/zinc/34/02/58/409340258.db2.gz PWKUYZUHCPKAQR-ZDUSSCGKSA-N 0 3 308.378 1.057 20 10 DDCDHN CN(C)C(=O)CN1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000297493272 409918997 /nfs/dbraw/zinc/91/89/97/409918997.db2.gz BMTBPKPFFAKFML-HNNXBMFYSA-N 0 3 317.433 1.522 20 10 DDCDHN Cc1cccc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1O ZINC000180755307 337177732 /nfs/dbraw/zinc/17/77/32/337177732.db2.gz APAYBHAYXKUISV-HNNXBMFYSA-N 0 3 324.446 1.701 20 10 DDCDHN CN(CCNC(=O)NCc1ccc2c(c1)CCCN2C)C1CC1 ZINC000264913997 522853867 /nfs/dbraw/zinc/85/38/67/522853867.db2.gz XQMCRCNTQHEDAS-UHFFFAOYSA-N 0 3 316.449 1.962 20 10 DDCDHN CSCC[C@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000157363890 525581968 /nfs/dbraw/zinc/58/19/68/525581968.db2.gz YNIGTFGVFSKIMS-AWEZNQCLSA-N 0 3 308.447 1.968 20 10 DDCDHN COCCN1CCC[C@@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000111867429 696646326 /nfs/dbraw/zinc/64/63/26/696646326.db2.gz LTNZSGGJUCXFOO-OAHLLOKOSA-N 0 3 321.421 1.644 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCO[C@H](C)C2)c1 ZINC000182442305 697475209 /nfs/dbraw/zinc/47/52/09/697475209.db2.gz WZMHAMAPLKMPRE-NEPJUHHUSA-N 0 3 308.378 1.299 20 10 DDCDHN CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185971304 697527236 /nfs/dbraw/zinc/52/72/36/697527236.db2.gz DBEBHGDBAZAQML-SNVBAGLBSA-N 0 3 304.387 1.510 20 10 DDCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCN1CCO ZINC000190238015 697586415 /nfs/dbraw/zinc/58/64/15/697586415.db2.gz BQEUYBGLWFRZCN-MRXNPFEDSA-N 0 3 319.449 1.022 20 10 DDCDHN COc1c([O-])c(C[NH2+]C[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000775010846 697953748 /nfs/dbraw/zinc/95/37/48/697953748.db2.gz FYEHJHDAZWUURS-NSHDSACASA-N 0 3 309.366 1.740 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2COCCO2)c1[O-] ZINC000776034445 698061914 /nfs/dbraw/zinc/06/19/14/698061914.db2.gz VAMOEHRMGKISJC-LBPRGKRZSA-N 0 3 316.195 1.968 20 10 DDCDHN N[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000399224583 699122370 /nfs/dbraw/zinc/12/23/70/699122370.db2.gz MFIVKZMYSXFNON-INIZCTEOSA-N 0 3 321.396 1.406 20 10 DDCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000729049027 699465420 /nfs/dbraw/zinc/46/54/20/699465420.db2.gz BGIYHABKWDOKTE-NWDGAFQWSA-N 0 3 307.394 1.855 20 10 DDCDHN CCN1CCN(c2ccc(CNCc3cn[nH]c3)cc2F)CC1 ZINC000730108565 699502021 /nfs/dbraw/zinc/50/20/21/699502021.db2.gz PRTPEZVVLXTOQE-UHFFFAOYSA-N 0 3 317.412 1.981 20 10 DDCDHN CN(C)C[C@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc2O1 ZINC000760816365 700824668 /nfs/dbraw/zinc/82/46/68/700824668.db2.gz CTBKEUUFXPXGGI-KIUWMYQTSA-N 0 3 324.384 1.846 20 10 DDCDHN NC(=O)CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768452877 701178806 /nfs/dbraw/zinc/17/88/06/701178806.db2.gz UQTCQSVYAUACKA-XHDPSFHLSA-N 0 3 320.389 1.296 20 10 DDCDHN NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768452877 701178807 /nfs/dbraw/zinc/17/88/07/701178807.db2.gz UQTCQSVYAUACKA-XHDPSFHLSA-N 0 3 320.389 1.296 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000769495573 701247318 /nfs/dbraw/zinc/24/73/18/701247318.db2.gz HGTKQMZAGYBDCI-UHFFFAOYSA-N 0 3 319.405 1.781 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCOC3)C1)[C@H](O)CO2 ZINC000840146881 701995379 /nfs/dbraw/zinc/99/53/79/701995379.db2.gz ZAFQNZJVLQJQSP-NVXWUHKLSA-N 0 3 305.374 1.821 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@]3(CCOC3)C1)[C@H](O)CO2 ZINC000840146881 701995385 /nfs/dbraw/zinc/99/53/85/701995385.db2.gz ZAFQNZJVLQJQSP-NVXWUHKLSA-N 0 3 305.374 1.821 20 10 DDCDHN C[C@H](CC(N)=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840761157 702230946 /nfs/dbraw/zinc/23/09/46/702230946.db2.gz RRSMSUSLMIHPMN-SNVBAGLBSA-N 0 3 313.348 1.155 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c1[O-] ZINC000840959082 702293649 /nfs/dbraw/zinc/29/36/49/702293649.db2.gz YFDUVWXQSTUVND-JTQLQIEISA-N 0 3 312.797 1.964 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c1[O-] ZINC000840959082 702293653 /nfs/dbraw/zinc/29/36/53/702293653.db2.gz YFDUVWXQSTUVND-JTQLQIEISA-N 0 3 312.797 1.964 20 10 DDCDHN NCc1cn([C@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)nn1 ZINC000841099342 702345845 /nfs/dbraw/zinc/34/58/45/702345845.db2.gz IIACAZOAVMURDB-ZDUSSCGKSA-N 0 3 321.812 1.933 20 10 DDCDHN NCc1cn([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)nn1 ZINC000841099342 702345853 /nfs/dbraw/zinc/34/58/53/702345853.db2.gz IIACAZOAVMURDB-ZDUSSCGKSA-N 0 3 321.812 1.933 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000841826670 702573767 /nfs/dbraw/zinc/57/37/67/702573767.db2.gz HWXBMYLNUFFDPF-KBPBESRZSA-N 0 3 304.438 1.953 20 10 DDCDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1C1CCOCC1 ZINC000866427175 706696532 /nfs/dbraw/zinc/69/65/32/706696532.db2.gz KLJNWKKIRHUSAT-HUUCEWRRSA-N 0 3 316.401 1.749 20 10 DDCDHN COc1c([O-])c(CN2CC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000843120319 702823416 /nfs/dbraw/zinc/82/34/16/702823416.db2.gz FHZLSGJRXXPLFF-HNNXBMFYSA-N 0 3 307.350 1.494 20 10 DDCDHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000843428593 702879937 /nfs/dbraw/zinc/87/99/37/702879937.db2.gz KUSUZIHCDITVBL-CYBMUJFWSA-N 0 3 322.428 1.444 20 10 DDCDHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1cccc(OC)c1O ZINC000846151074 703243301 /nfs/dbraw/zinc/24/33/01/703243301.db2.gz UUJHCKAYULVMRZ-QWRGUYRKSA-N 0 3 301.408 1.875 20 10 DDCDHN C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000853543238 704264688 /nfs/dbraw/zinc/26/46/88/704264688.db2.gz RDBRZIJOULDHKM-OIISXLGYSA-N 0 3 305.374 1.676 20 10 DDCDHN C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000853543238 704264690 /nfs/dbraw/zinc/26/46/90/704264690.db2.gz RDBRZIJOULDHKM-OIISXLGYSA-N 0 3 305.374 1.676 20 10 DDCDHN COc1ccc(N2CCN(CC[C@H]3CCNC3=O)CC2)cc1 ZINC000821385374 704401343 /nfs/dbraw/zinc/40/13/43/704401343.db2.gz BZAGSCIGLMMSCD-CQSZACIVSA-N 0 3 303.406 1.343 20 10 DDCDHN O=C1NCCCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000876925891 705926881 /nfs/dbraw/zinc/92/68/81/705926881.db2.gz GKBQIZNIJOJHIQ-KRWDZBQOSA-N 0 3 317.433 1.406 20 10 DDCDHN CN(C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)c1ccc(N)cc1 ZINC000877077980 705977796 /nfs/dbraw/zinc/97/77/96/705977796.db2.gz XQYRKEDFCKQRNN-GRDNDAEWSA-N 0 3 303.406 1.764 20 10 DDCDHN CCO[C@H]1C[C@](N)(C(=O)NCCc2ccc(N)cc2)C1(C)C ZINC000832658824 706958168 /nfs/dbraw/zinc/95/81/68/706958168.db2.gz CWWHHXNLNHVXRB-YOEHRIQHSA-N 0 3 305.422 1.460 20 10 DDCDHN CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)O1 ZINC000834702579 707104683 /nfs/dbraw/zinc/10/46/83/707104683.db2.gz RPQWOSYZZOZAMF-IPYPFGDCSA-N 0 3 304.390 1.605 20 10 DDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O)c1[O-] ZINC000927028978 712933484 /nfs/dbraw/zinc/93/34/84/712933484.db2.gz YKEQHJPUAMSDDF-ONGXEEELSA-N 0 3 321.826 1.410 20 10 DDCDHN COc1ccc(CN[C@]2(CO)CCOC2)cc1Cn1cccn1 ZINC000873103441 707732115 /nfs/dbraw/zinc/73/21/15/707732115.db2.gz DNKRPIQTYDSDTI-KRWDZBQOSA-N 0 3 317.389 1.181 20 10 DDCDHN CCCC[N@H+](CCN1C(=O)N[C@@H](C)C1=O)Cc1ccccc1[O-] ZINC000838982746 708009691 /nfs/dbraw/zinc/00/96/91/708009691.db2.gz GLUGEKOZNVBVSB-ZDUSSCGKSA-N 0 3 319.405 1.935 20 10 DDCDHN CCCC[N@@H+](CCN1C(=O)N[C@@H](C)C1=O)Cc1ccccc1[O-] ZINC000838982746 708009693 /nfs/dbraw/zinc/00/96/93/708009693.db2.gz GLUGEKOZNVBVSB-ZDUSSCGKSA-N 0 3 319.405 1.935 20 10 DDCDHN Cc1cc(O)c(C[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1C ZINC000898154829 708559305 /nfs/dbraw/zinc/55/93/05/708559305.db2.gz IXMCMEWBEVBNNT-CQSZACIVSA-N 0 3 314.389 1.873 20 10 DDCDHN CCOC(=O)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255792 710143697 /nfs/dbraw/zinc/14/36/97/710143697.db2.gz SBBSJHIIUPLYTI-OAHLLOKOSA-N 0 3 321.421 1.425 20 10 DDCDHN O=C(NCc1ccccc1O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892803527 710503201 /nfs/dbraw/zinc/50/32/01/710503201.db2.gz SEPMWQHXAUAXSE-INIZCTEOSA-N 0 3 311.385 1.906 20 10 DDCDHN COc1ccc(CN2CC[C@H](n3cncn3)C2)c(O)c1OC ZINC000893694618 710780834 /nfs/dbraw/zinc/78/08/34/710780834.db2.gz ZWTKSYCRYLKDNP-LBPRGKRZSA-N 0 3 304.350 1.448 20 10 DDCDHN COc1ccc(N2CC[C@@H](CNc3ccncc3CO)C2)cc1 ZINC000894269581 711045270 /nfs/dbraw/zinc/04/52/70/711045270.db2.gz ULMRBHZWZFHBDZ-AWEZNQCLSA-N 0 3 313.401 1.943 20 10 DDCDHN O=c1ccn(CCC[NH2+][C@@H]2CCc3cccc([O-])c32)c(=O)[nH]1 ZINC000903428101 711122658 /nfs/dbraw/zinc/12/26/58/711122658.db2.gz DAZGHCSUXYLROH-GFCCVEGCSA-N 0 3 301.346 1.322 20 10 DDCDHN C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cn(C)nn1 ZINC000903449213 711131231 /nfs/dbraw/zinc/13/12/31/711131231.db2.gz WYKPXGMIAREWGH-CXAGYDPISA-N 0 3 316.453 1.835 20 10 DDCDHN COc1ccc(CN[C@H](C)[C@@H](O)C(F)(F)F)c(O)c1OC ZINC000895759493 711597992 /nfs/dbraw/zinc/59/79/92/711597992.db2.gz HNWAQGXLOQWHKX-JMCQJSRRSA-N 0 3 309.284 1.811 20 10 DDCDHN CC(C)(C)[C@H](NCc1ccc(N2CCOCC2)cc1)C(N)=O ZINC000930011516 713735591 /nfs/dbraw/zinc/73/55/91/713735591.db2.gz HPUQVLOAVAZYOO-OAHLLOKOSA-N 0 3 305.422 1.513 20 10 DDCDHN CN(C)CCn1nccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC000931567485 714129861 /nfs/dbraw/zinc/12/98/61/714129861.db2.gz SOHBQTUZGDZQNC-UHFFFAOYSA-N 0 3 315.377 1.698 20 10 DDCDHN C[C@@H]1CC(=O)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139408464 759411788 /nfs/dbraw/zinc/41/17/88/759411788.db2.gz MTPRBROZKIEFFB-OAHLLOKOSA-N 0 3 301.434 1.992 20 10 DDCDHN CN(Cc1c(O)cc(O)cc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC001144514459 772558440 /nfs/dbraw/zinc/55/84/40/772558440.db2.gz FRLNJIRGSRXDAO-UHFFFAOYSA-N 0 3 324.377 1.855 20 10 DDCDHN C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCC(=O)c1ccc([O-])c(O)c1)C2 ZINC001172107597 776649081 /nfs/dbraw/zinc/64/90/81/776649081.db2.gz FRMQTOAHDLZDNZ-BTTYYORXSA-N 0 3 304.390 1.885 20 10 DDCDHN C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCC(=O)c1ccc([O-])c(O)c1)C2 ZINC001172107597 776649085 /nfs/dbraw/zinc/64/90/85/776649085.db2.gz FRMQTOAHDLZDNZ-BTTYYORXSA-N 0 3 304.390 1.885 20 10 DDCDHN Nc1ccc(CN[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC001120370549 781901744 /nfs/dbraw/zinc/90/17/44/781901744.db2.gz AFEAGRKMDOVXRZ-GFCCVEGCSA-N 0 3 301.312 1.912 20 10 DDCDHN C[NH+](C)C[C@@H]1COCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232262774 845929853 /nfs/dbraw/zinc/92/98/53/845929853.db2.gz PJAHWYKDLIZEJL-LLVKDONJSA-N 0 3 300.786 1.514 20 10 DDCDHN Cc1cc(Cl)cc(CN2CC[C@@]3(C2)CN(C)C(=O)CO3)c1O ZINC001274399228 852234095 /nfs/dbraw/zinc/23/40/95/852234095.db2.gz OBCXCINWECSOSX-INIZCTEOSA-N 0 3 324.808 1.787 20 10 DDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c1[O-] ZINC001274399228 852234107 /nfs/dbraw/zinc/23/41/07/852234107.db2.gz OBCXCINWECSOSX-INIZCTEOSA-N 0 3 324.808 1.787 20 10 DDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c1[O-] ZINC001274399228 852234117 /nfs/dbraw/zinc/23/41/17/852234117.db2.gz OBCXCINWECSOSX-INIZCTEOSA-N 0 3 324.808 1.787 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c([O-])c1 ZINC001274767262 852588537 /nfs/dbraw/zinc/58/85/37/852588537.db2.gz ZVVCZFIEFPCWIC-KRWDZBQOSA-N 0 3 320.389 1.224 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c([O-])c1 ZINC001274767262 852588546 /nfs/dbraw/zinc/58/85/46/852588546.db2.gz ZVVCZFIEFPCWIC-KRWDZBQOSA-N 0 3 320.389 1.224 20 10 DDCDHN CN(C)C(=O)CN1C[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC001275908359 853928184 /nfs/dbraw/zinc/92/81/84/853928184.db2.gz CARJXKTURUDZBJ-SWLSCSKDSA-N 0 3 321.396 1.126 20 10 DDCDHN CN(C)C(=O)CN1C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC001275908359 853928190 /nfs/dbraw/zinc/92/81/90/853928190.db2.gz CARJXKTURUDZBJ-SWLSCSKDSA-N 0 3 321.396 1.126 20 10 DDCDHN CN1CCN(c2ccc(CN3C[C@H](F)C[C@H](CO)C3)cc2)CC1 ZINC001139408643 860390926 /nfs/dbraw/zinc/39/09/26/860390926.db2.gz OGUQRCQIDOINLR-DLBZAZTESA-N 0 3 321.440 1.591 20 10 DDCDHN NC(=O)[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140662402 860670661 /nfs/dbraw/zinc/67/06/61/860670661.db2.gz SACMQIBTFKCRBP-AWEZNQCLSA-N 0 3 321.396 1.360 20 10 DDCDHN OC[C@@H]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)C[C@@H]1O ZINC001141074447 860782999 /nfs/dbraw/zinc/78/29/99/860782999.db2.gz HXDUPYRHMUOULH-ROUUACIJSA-N 0 3 316.445 1.561 20 10 DDCDHN CN1CCOc2cc(CN3CCC4(CC3)OCCO4)ccc21 ZINC001141142718 860793986 /nfs/dbraw/zinc/79/39/86/860793986.db2.gz YNYCOUIGLHDXRF-UHFFFAOYSA-N 0 3 304.390 1.854 20 10 DDCDHN CC[C@H](F)CNCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153047282 863676988 /nfs/dbraw/zinc/67/69/88/863676988.db2.gz AALJJJFVUHNETC-NSHDSACASA-N 0 3 309.345 1.917 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC[C@H](C)S(C)(=O)=O)C2)cc1 ZINC001335412739 868280670 /nfs/dbraw/zinc/28/06/70/868280670.db2.gz KDOFKBSHMFZHNN-QWHCGFSZSA-N 0 3 312.435 1.297 20 10 DDCDHN COCCN1CCC(NC(=O)NCc2ccc(N)cc2)CC1 ZINC001338483683 870004579 /nfs/dbraw/zinc/00/45/79/870004579.db2.gz PDSDRPWRZHTHGX-UHFFFAOYSA-N 0 3 306.410 1.179 20 10 DDCDHN COC(=O)[C@H](O)C1CC[NH+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001308604575 871512371 /nfs/dbraw/zinc/51/23/71/871512371.db2.gz UBCVJMCSCWRFST-MRXNPFEDSA-N 0 3 323.389 1.455 20 10 DDCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)N(C)C ZINC001343583969 872677729 /nfs/dbraw/zinc/67/77/29/872677729.db2.gz NHWDSHAJEJUWLS-ZDUSSCGKSA-N 0 3 322.428 1.144 20 10 DDCDHN CN1CCN(c2ccc(CN3CC(C4COC4)C3)c(F)c2)CC1 ZINC001236931279 889428258 /nfs/dbraw/zinc/42/82/58/889428258.db2.gz INLREGDSFNGOOT-UHFFFAOYSA-N 0 3 319.424 1.656 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)[C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246926968 892991918 /nfs/dbraw/zinc/99/19/18/892991918.db2.gz VREXPGDBPRBIGQ-HOTGVXAUSA-N 0 3 305.422 1.478 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3C[C@H](O)[C@H](CO)C3)ccc2O1 ZINC001249224434 893877881 /nfs/dbraw/zinc/87/78/81/893877881.db2.gz ZDCSWWZQJMEQKN-JSGCOSHPSA-N 0 3 305.374 1.361 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3C[C@H](O)[C@H](CO)C3)ccc2O1 ZINC001249224434 893877896 /nfs/dbraw/zinc/87/78/96/893877896.db2.gz ZDCSWWZQJMEQKN-JSGCOSHPSA-N 0 3 305.374 1.361 20 10 DDCDHN COc1ccc(OC[C@H](O)CNCc2ccc(O)c(O)c2)cc1 ZINC001252737073 895429127 /nfs/dbraw/zinc/42/91/27/895429127.db2.gz JYVVGANEAYESPX-CYBMUJFWSA-N 0 3 319.357 1.636 20 10 DDCDHN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C[C@H]1C(=O)OC ZINC001257718445 897922029 /nfs/dbraw/zinc/92/20/29/897922029.db2.gz KZUFDNLURXSKAD-BFHYXJOUSA-N 0 3 321.373 1.613 20 10 DDCDHN COc1ccc(N2CCN(C[C@@H](O)Cn3cccn3)CC2)cc1 ZINC000051314546 352584134 /nfs/dbraw/zinc/58/41/34/352584134.db2.gz CMTBLNUXJPPGPT-MRXNPFEDSA-N 0 3 316.405 1.075 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CCCN2C)cc1 ZINC000139401853 354128098 /nfs/dbraw/zinc/12/80/98/354128098.db2.gz OUXQSLSJABWOQM-INIZCTEOSA-N 0 3 304.438 1.988 20 10 DDCDHN CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000019230292 182109207 /nfs/dbraw/zinc/10/92/07/182109207.db2.gz CDIALWCAAXOTOY-LBPRGKRZSA-N 0 3 312.435 1.857 20 10 DDCDHN CCOc1cccc(CN2CCc3nn(C)c(=O)cc3C2)c1O ZINC000093756295 407201814 /nfs/dbraw/zinc/20/18/14/407201814.db2.gz CANQZPVEXCTSLY-UHFFFAOYSA-N 0 3 315.373 1.443 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000186166990 407593029 /nfs/dbraw/zinc/59/30/29/407593029.db2.gz MPNJLHBXCMJDMH-OLZOCXBDSA-N 0 3 312.435 1.633 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1F ZINC000237280704 407810120 /nfs/dbraw/zinc/81/01/20/407810120.db2.gz HYYVJFWYLAJULB-HNNXBMFYSA-N 0 3 323.412 1.856 20 10 DDCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H](C(N)=O)O1 ZINC000120293832 408123783 /nfs/dbraw/zinc/12/37/83/408123783.db2.gz MCTZBPYKKMHGOP-BDJLRTHQSA-N 0 3 300.358 1.620 20 10 DDCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H](C(N)=O)O1 ZINC000120293832 408123786 /nfs/dbraw/zinc/12/37/86/408123786.db2.gz MCTZBPYKKMHGOP-BDJLRTHQSA-N 0 3 300.358 1.620 20 10 DDCDHN C[C@H](NCCn1cncn1)c1ccc(N2CCOCC2)cc1 ZINC000268801337 408198613 /nfs/dbraw/zinc/19/86/13/408198613.db2.gz GIBCALHQZXXKFZ-AWEZNQCLSA-N 0 3 301.394 1.466 20 10 DDCDHN CCN1CCN(CCC(=O)N(C)Cc2ccccc2O)CC1 ZINC000263697573 408211315 /nfs/dbraw/zinc/21/13/15/408211315.db2.gz RKDKWZSRKWRZFX-UHFFFAOYSA-N 0 3 305.422 1.378 20 10 DDCDHN CC[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000183326471 408379858 /nfs/dbraw/zinc/37/98/58/408379858.db2.gz RPUIQWDIJDIZOL-LSDHHAIUSA-N 0 3 314.389 1.972 20 10 DDCDHN COC[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000183456185 408417470 /nfs/dbraw/zinc/41/74/70/408417470.db2.gz MRJYZTKNPLNIGD-INIZCTEOSA-N 0 3 305.422 1.383 20 10 DDCDHN CC[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccccc1[O-] ZINC000282430954 409052993 /nfs/dbraw/zinc/05/29/93/409052993.db2.gz DEAGPDOWQHWUIE-HNNXBMFYSA-N 0 3 309.406 1.991 20 10 DDCDHN Cc1ccc([C@@H](C)NCCS(=O)(=O)N(C)C)c(O)c1C ZINC000290229880 409330816 /nfs/dbraw/zinc/33/08/16/409330816.db2.gz RPNCVVXWZCQFBN-GFCCVEGCSA-N 0 3 300.424 1.551 20 10 DDCDHN C[C@@H](NC1CC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000296426037 409546178 /nfs/dbraw/zinc/54/61/78/409546178.db2.gz MWDLABAQDAMSPE-CYBMUJFWSA-N 0 3 303.406 1.280 20 10 DDCDHN O=C([C@@H]1CCCN1Cc1ccccc1O)N1CCSCC1 ZINC000374256900 418511019 /nfs/dbraw/zinc/51/10/19/418511019.db2.gz BLGFDULFUUCFGN-AWEZNQCLSA-N 0 3 306.431 1.932 20 10 DDCDHN CN(C)c1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000367460779 418601274 /nfs/dbraw/zinc/60/12/74/418601274.db2.gz JALIPTRDANCYDU-ROUUACIJSA-N 0 3 303.450 1.784 20 10 DDCDHN COC(=O)c1cn([C@H]2CC[N@H+](Cc3cccc(C)c3[O-])C2)nn1 ZINC000363907324 418771156 /nfs/dbraw/zinc/77/11/56/418771156.db2.gz KYLUCKPDILEREI-ZDUSSCGKSA-N 0 3 316.361 1.526 20 10 DDCDHN COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cccc(C)c3[O-])C2)nn1 ZINC000363907324 418771157 /nfs/dbraw/zinc/77/11/57/418771157.db2.gz KYLUCKPDILEREI-ZDUSSCGKSA-N 0 3 316.361 1.526 20 10 DDCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000368605839 418723152 /nfs/dbraw/zinc/72/31/52/418723152.db2.gz ZFKJRVBKCRHHDP-YOEHRIQHSA-N 0 3 321.440 1.989 20 10 DDCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000368605839 418723154 /nfs/dbraw/zinc/72/31/54/418723154.db2.gz ZFKJRVBKCRHHDP-YOEHRIQHSA-N 0 3 321.440 1.989 20 10 DDCDHN O=C1NCCN1[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000372434358 418869916 /nfs/dbraw/zinc/86/99/16/418869916.db2.gz AJQRNVTUTJAPGG-GFCCVEGCSA-N 0 3 319.361 1.111 20 10 DDCDHN COc1ccc(O)c([C@H](C)N2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000372598927 418886178 /nfs/dbraw/zinc/88/61/78/418886178.db2.gz FCQFIPYIPUQLJF-QANKJYHBSA-N 0 3 320.433 1.993 20 10 DDCDHN COc1ccc(N(C)C(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)cc1F ZINC000662638882 424719651 /nfs/dbraw/zinc/71/96/51/424719651.db2.gz XNBXQPHRPOFCSE-JTQLQIEISA-N 0 3 318.352 1.911 20 10 DDCDHN CNC(=O)CN1CCCN([C@H](C)c2cc(OC)ccc2O)CC1 ZINC000373637125 277229861 /nfs/dbraw/zinc/22/98/61/277229861.db2.gz HHQDCNIOONPVEZ-CYBMUJFWSA-N 0 3 321.421 1.216 20 10 DDCDHN COc1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1[O-] ZINC000291626388 278011017 /nfs/dbraw/zinc/01/10/17/278011017.db2.gz RYWMKZZIOYOEPP-UKRRQHHQSA-N 0 3 306.406 1.696 20 10 DDCDHN COc1cccc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1[O-] ZINC000291626388 278011018 /nfs/dbraw/zinc/01/10/18/278011018.db2.gz RYWMKZZIOYOEPP-UKRRQHHQSA-N 0 3 306.406 1.696 20 10 DDCDHN COc1cccc(CN2CCN(C3CCOCC3)CC2)c1O ZINC000129780680 525946476 /nfs/dbraw/zinc/94/64/76/525946476.db2.gz AXCJHVKNAAKOTQ-UHFFFAOYSA-N 0 3 306.406 1.697 20 10 DDCDHN CC[C@@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1ccccc1[O-] ZINC000284374482 535804169 /nfs/dbraw/zinc/80/41/69/535804169.db2.gz NZGLVYCZVOQLKW-GFCCVEGCSA-N 0 3 304.350 1.511 20 10 DDCDHN CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000122653588 696723732 /nfs/dbraw/zinc/72/37/32/696723732.db2.gz VWVUCPWOFWHWQE-KRWDZBQOSA-N 0 3 317.433 1.576 20 10 DDCDHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc([O-])cs1 ZINC000747616453 700077706 /nfs/dbraw/zinc/07/77/06/700077706.db2.gz KLNOAXLOIZSOPQ-RAIGVLPGSA-N 0 3 310.419 1.777 20 10 DDCDHN CC[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)N(C)C ZINC000155376738 696946961 /nfs/dbraw/zinc/94/69/61/696946961.db2.gz RURNWTHXMVKJIY-HNNXBMFYSA-N 0 3 323.412 1.619 20 10 DDCDHN COc1cc(CN2CCN(CC(C)(C)O)CC2)c(O)cc1C ZINC000160244886 697316037 /nfs/dbraw/zinc/31/60/37/697316037.db2.gz HHBXTNKVTVZCRJ-UHFFFAOYSA-N 0 3 308.422 1.598 20 10 DDCDHN COc1cc(Cl)cc(CNCCS(=O)(=O)C(C)C)c1O ZINC000380352687 699061669 /nfs/dbraw/zinc/06/16/69/699061669.db2.gz YRCSZRFHJCHXQY-UHFFFAOYSA-N 0 3 321.826 1.967 20 10 DDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@@H]1C ZINC000787244265 699199695 /nfs/dbraw/zinc/19/96/95/699199695.db2.gz YDBMXYJCHZOYQZ-GLXFQSAKSA-N 0 3 307.346 1.201 20 10 DDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@@H]1C ZINC000787244265 699199696 /nfs/dbraw/zinc/19/96/96/699199696.db2.gz YDBMXYJCHZOYQZ-GLXFQSAKSA-N 0 3 307.346 1.201 20 10 DDCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCN(C)C2)c1 ZINC000729049029 699465306 /nfs/dbraw/zinc/46/53/06/699465306.db2.gz BGIYHABKWDOKTE-RYUDHWBXSA-N 0 3 307.394 1.855 20 10 DDCDHN C[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C(=O)N1c1cnn(C)c1 ZINC000742390665 699876576 /nfs/dbraw/zinc/87/65/76/699876576.db2.gz LALWKDNWVCRKAT-FZMZJTMJSA-N 0 3 300.362 1.409 20 10 DDCDHN CCCN(C)CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000753739062 700453195 /nfs/dbraw/zinc/45/31/95/700453195.db2.gz PGWJNFYIZRNUSZ-UHFFFAOYSA-N 0 3 323.412 1.825 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]CCCNS(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000756374129 700618412 /nfs/dbraw/zinc/61/84/12/700618412.db2.gz ZXSZBAWVQSIOOR-MWLCHTKSSA-N 0 3 316.398 1.609 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](C3OCCO3)C1)[C@H](O)CO2 ZINC000768445327 701177515 /nfs/dbraw/zinc/17/75/15/701177515.db2.gz HIOKIMZEHXUDTG-XHDPSFHLSA-N 0 3 321.373 1.403 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](C3OCCO3)C1)[C@H](O)CO2 ZINC000768445327 701177518 /nfs/dbraw/zinc/17/75/18/701177518.db2.gz HIOKIMZEHXUDTG-XHDPSFHLSA-N 0 3 321.373 1.403 20 10 DDCDHN CC[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1O ZINC000770380653 701275726 /nfs/dbraw/zinc/27/57/26/701275726.db2.gz NIIMQBLAZPDQKL-PBHICJAKSA-N 0 3 308.397 1.865 20 10 DDCDHN CC[C@H](C)N(CCO)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000805790452 701409684 /nfs/dbraw/zinc/40/96/84/701409684.db2.gz ZZWKDPFDOYOEGY-HNNXBMFYSA-N 0 3 321.465 1.804 20 10 DDCDHN CC[C@H]1[C@@H](CO)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839610572 701753828 /nfs/dbraw/zinc/75/38/28/701753828.db2.gz OGCUYROHWGGXMK-WBVHZDCISA-N 0 3 319.449 1.462 20 10 DDCDHN COCCN1CCC(NC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000868364807 702086425 /nfs/dbraw/zinc/08/64/25/702086425.db2.gz XMZZZVFKFQZSSW-CYBMUJFWSA-N 0 3 321.421 1.863 20 10 DDCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000879649194 706749614 /nfs/dbraw/zinc/74/96/14/706749614.db2.gz NOAZPPBVMVTMIK-UPJWGTAASA-N 0 3 319.405 1.155 20 10 DDCDHN C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000879648572 706749690 /nfs/dbraw/zinc/74/96/90/706749690.db2.gz UNAHVJKEAIWXQC-CHWSQXEVSA-N 0 3 312.435 1.714 20 10 DDCDHN CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000879652225 706750261 /nfs/dbraw/zinc/75/02/61/706750261.db2.gz XIMLTFGERARKRF-KBPBESRZSA-N 0 3 305.422 1.595 20 10 DDCDHN CCOC(=O)CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C(C)C ZINC000848502586 703558580 /nfs/dbraw/zinc/55/85/80/703558580.db2.gz VLZJVTPJEUESDA-HNNXBMFYSA-N 0 3 323.389 1.982 20 10 DDCDHN CCOC(=O)CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C(C)C ZINC000848502586 703558582 /nfs/dbraw/zinc/55/85/82/703558582.db2.gz VLZJVTPJEUESDA-HNNXBMFYSA-N 0 3 323.389 1.982 20 10 DDCDHN CCc1cccc(CN[C@@H]2CCN(c3cnn(C)c3)C2=O)c1O ZINC000848897291 703599847 /nfs/dbraw/zinc/59/98/47/703599847.db2.gz OGYMHEJYYGYRLH-OAHLLOKOSA-N 0 3 314.389 1.583 20 10 DDCDHN COc1ccc(N2CCN(C[C@@H](OC)[C@@H]3CCOC3)CC2)cc1 ZINC000851714697 703835338 /nfs/dbraw/zinc/83/53/38/703835338.db2.gz TWJARHBEGJRXNK-CRAIPNDOSA-N 0 3 320.433 1.869 20 10 DDCDHN C[C@@H](O)[C@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852558586 704075003 /nfs/dbraw/zinc/07/50/03/704075003.db2.gz CSKVLOLJKKOFOQ-RHSMWYFYSA-N 0 3 319.449 1.556 20 10 DDCDHN O=C(NCc1ccccc1O)NC1CCN([C@H]2CCOC2)CC1 ZINC000852635374 704088747 /nfs/dbraw/zinc/08/87/47/704088747.db2.gz GLSFOLIHVCZQEN-HNNXBMFYSA-N 0 3 319.405 1.445 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)C(N)C(F)(F)F)C2)cc1 ZINC000852844654 704144912 /nfs/dbraw/zinc/14/49/12/704144912.db2.gz YMAYVPWJFNEOOC-BXKDBHETSA-N 0 3 317.311 1.280 20 10 DDCDHN CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCC(=O)N(C)C2)c1O ZINC000821322426 704390579 /nfs/dbraw/zinc/39/05/79/704390579.db2.gz HGAOSBJWRVOBON-CYBMUJFWSA-N 0 3 308.353 1.787 20 10 DDCDHN Cc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)c([O-])c1O ZINC000854643454 704432328 /nfs/dbraw/zinc/43/23/28/704432328.db2.gz YGQITTVNTIETBD-KGLIPLIRSA-N 0 3 320.389 1.341 20 10 DDCDHN Cc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)c([O-])c1O ZINC000854643454 704432329 /nfs/dbraw/zinc/43/23/29/704432329.db2.gz YGQITTVNTIETBD-KGLIPLIRSA-N 0 3 320.389 1.341 20 10 DDCDHN COc1cc(O)c(CN2CC[C@@](O)(C(F)F)C2)cc1OC ZINC000824726764 705517467 /nfs/dbraw/zinc/51/74/67/705517467.db2.gz SWEMXESTKSBADV-AWEZNQCLSA-N 0 3 303.305 1.611 20 10 DDCDHN COC[C@@]1(C(=O)NCc2ccc(N(C)C)cc2C)CCCCN1 ZINC000876768765 705867390 /nfs/dbraw/zinc/86/73/90/705867390.db2.gz YRYQIVOOYDBBTC-GOSISDBHSA-N 0 3 319.449 1.836 20 10 DDCDHN O=S(=O)(CC[NH2+]Cc1cc(F)ccc1[O-])CC(F)(F)F ZINC000827049672 705918207 /nfs/dbraw/zinc/91/82/07/705918207.db2.gz ZVBXGMFDUHSNNV-UHFFFAOYSA-N 0 3 315.288 1.598 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1COCCO1 ZINC000827337166 705979297 /nfs/dbraw/zinc/97/92/97/705979297.db2.gz SUFDPLDNCIEBJZ-KRWDZBQOSA-N 0 3 306.406 1.370 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)c([O-])c1 ZINC000877158904 706001989 /nfs/dbraw/zinc/00/19/89/706001989.db2.gz OIYOKAJITBXECC-OCCSQVGLSA-N 0 3 312.435 1.508 20 10 DDCDHN CN(C)c1ccc(/C=C\CNCCN2CCCS2(=O)=O)cc1 ZINC000835036863 707160403 /nfs/dbraw/zinc/16/04/03/707160403.db2.gz GDAMCOQQFKYNPK-HYXAFXHYSA-N 0 3 323.462 1.391 20 10 DDCDHN CN(C)c1ccc(Cn2cc([C@@H](N)C3CCOCC3)nn2)cc1 ZINC000881272285 707175871 /nfs/dbraw/zinc/17/58/71/707175871.db2.gz RBPSYRNPAXOJJT-KRWDZBQOSA-N 0 3 315.421 1.819 20 10 DDCDHN CN(C)c1ccc(/C=C/CN[C@H]2C[C@H](S(C)(=O)=O)C2)cc1 ZINC000883380357 707988307 /nfs/dbraw/zinc/98/83/07/707988307.db2.gz JPVAUERZIQXRCJ-UVTYUFQUSA-N 0 3 308.447 1.931 20 10 DDCDHN CCC1(CC)CNC(=O)[C@H]1NCc1cc(OC)c(OC)cc1O ZINC000897345296 708299055 /nfs/dbraw/zinc/29/90/55/708299055.db2.gz KZPOXZSVFHPZIW-OAHLLOKOSA-N 0 3 322.405 1.804 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CCCc2nnnn2C)c1[O-] ZINC000898040333 708525956 /nfs/dbraw/zinc/52/59/56/708525956.db2.gz SFCAQMHWTIFVCB-UHFFFAOYSA-N 0 3 311.773 1.300 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898115787 708547182 /nfs/dbraw/zinc/54/71/82/708547182.db2.gz VGJMOGBEHVYENC-UHFFFAOYSA-N 0 3 320.389 1.065 20 10 DDCDHN O=c1cc(N2CC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)nc[n-]1 ZINC000898158637 708560643 /nfs/dbraw/zinc/56/06/43/708560643.db2.gz AMYXGESVETYGIV-AWEZNQCLSA-N 0 3 312.373 1.486 20 10 DDCDHN C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1c([O-])cccc1F ZINC000886524908 708773246 /nfs/dbraw/zinc/77/32/46/708773246.db2.gz TXYYIIWEINGXMN-STQMWFEESA-N 0 3 323.412 1.769 20 10 DDCDHN C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cc(F)ccc1[O-] ZINC000886737042 708829569 /nfs/dbraw/zinc/82/95/69/708829569.db2.gz QLBQRCDHBOFPMX-SNVBAGLBSA-N 0 3 316.398 1.606 20 10 DDCDHN CNC(=O)C1(NCc2ccc(N(C)C)c(C)c2)CCOCC1 ZINC000887091272 708952988 /nfs/dbraw/zinc/95/29/88/708952988.db2.gz GGNKJRVTFGGFSH-UHFFFAOYSA-N 0 3 305.422 1.446 20 10 DDCDHN COc1cccc([C@H](C)NCc2cnc3n2CCOC3)c1O ZINC000903420644 711121101 /nfs/dbraw/zinc/12/11/01/711121101.db2.gz PKDUUCCJUAMOCT-NSHDSACASA-N 0 3 303.362 1.978 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)NCc1ccc2c(c1)CCCO2 ZINC000922156196 713977128 /nfs/dbraw/zinc/97/71/28/713977128.db2.gz IAKZNGJXWOIVQL-CQSZACIVSA-N 0 3 312.435 1.429 20 10 DDCDHN CCOc1ccc(C[NH2+]C(C)(C)CNS(C)(=O)=O)c([O-])c1 ZINC000922638542 714108150 /nfs/dbraw/zinc/10/81/50/714108150.db2.gz XVCMDUIUAJORAY-UHFFFAOYSA-N 0 3 316.423 1.208 20 10 DDCDHN CCN(CC)c1ccc(CNS(=O)(=O)C2CNC2)cc1F ZINC000923609240 714427972 /nfs/dbraw/zinc/42/79/72/714427972.db2.gz XEYNKBSENBVSMJ-UHFFFAOYSA-N 0 3 315.414 1.063 20 10 DDCDHN CC1(C)CNC(=O)[C@@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000924706320 714646261 /nfs/dbraw/zinc/64/62/61/714646261.db2.gz GMJJLYHEAJBQEZ-HNNXBMFYSA-N 0 3 319.474 1.854 20 10 DDCDHN COc1cc(C)c(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c([O-])c1 ZINC001181959568 743411462 /nfs/dbraw/zinc/41/14/62/743411462.db2.gz WRRYJCCWKVAYOB-RDJZCZTQSA-N 0 3 306.406 1.614 20 10 DDCDHN COc1cc(C)c(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c([O-])c1 ZINC001181959568 743411465 /nfs/dbraw/zinc/41/14/65/743411465.db2.gz WRRYJCCWKVAYOB-RDJZCZTQSA-N 0 3 306.406 1.614 20 10 DDCDHN COC[C@]12COC[C@H]1CN(Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204341841 743627447 /nfs/dbraw/zinc/62/74/47/743627447.db2.gz GRKGBMMJTVAWAD-MLGOLLRUSA-N 0 3 309.362 1.201 20 10 DDCDHN COC(=O)[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2[O-])C[C@@H]1C(=O)OC ZINC001173584536 777270146 /nfs/dbraw/zinc/27/01/46/777270146.db2.gz KUFUMINCIFCXGR-BTTYYORXSA-N 0 3 321.373 1.565 20 10 DDCDHN COC(=O)[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2[O-])C[C@@H]1C(=O)OC ZINC001173584536 777270151 /nfs/dbraw/zinc/27/01/51/777270151.db2.gz KUFUMINCIFCXGR-BTTYYORXSA-N 0 3 321.373 1.565 20 10 DDCDHN Nc1ccc(CN[C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC001120370550 781901423 /nfs/dbraw/zinc/90/14/23/781901423.db2.gz AFEAGRKMDOVXRZ-LBPRGKRZSA-N 0 3 301.312 1.912 20 10 DDCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2COC2)c([O-])c1 ZINC001272767122 847400317 /nfs/dbraw/zinc/40/03/17/847400317.db2.gz WZIIGIWPXXVITF-HZPDHXFCSA-N 0 3 316.401 1.665 20 10 DDCDHN Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2COC2)c([O-])c1 ZINC001272767122 847400319 /nfs/dbraw/zinc/40/03/19/847400319.db2.gz WZIIGIWPXXVITF-HZPDHXFCSA-N 0 3 316.401 1.665 20 10 DDCDHN CNC(=O)[C@H]1CC12CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001273842673 851411404 /nfs/dbraw/zinc/41/14/04/851411404.db2.gz GBPFTWAZQCFPBV-LLVKDONJSA-N 0 3 306.362 1.152 20 10 DDCDHN OC[C@@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)CC[C@H]1O ZINC001141074706 860782402 /nfs/dbraw/zinc/78/24/02/860782402.db2.gz RNBMMALEOBOANG-ZWKOTPCHSA-N 0 3 316.445 1.561 20 10 DDCDHN COC(=O)c1cn([C@H]2CCCN(Cc3ccc(N)cc3)C2)nn1 ZINC001334755103 867815199 /nfs/dbraw/zinc/81/51/99/867815199.db2.gz VNKGWSGGDSXMDF-AWEZNQCLSA-N 0 3 315.377 1.484 20 10 DDCDHN O=C(NC1CC[NH+](Cc2ccc(O)cc2[O-])CC1)C1CCC1 ZINC001204275590 871035207 /nfs/dbraw/zinc/03/52/07/871035207.db2.gz WPWGUUQEDOLZLH-UHFFFAOYSA-N 0 3 304.390 1.979 20 10 DDCDHN CCO[C@H]1C[C@@](N)(C(=O)NCc2c(O)cccc2F)C1(C)C ZINC001342613512 872294727 /nfs/dbraw/zinc/29/47/27/872294727.db2.gz OIIUKQJEPBANMM-XJKSGUPXSA-N 0 3 310.369 1.680 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CSCN2)N(C)C)cc1 ZINC001343046718 872481000 /nfs/dbraw/zinc/48/10/00/872481000.db2.gz FUXKZRATKIEWHC-CABCVRRESA-N 0 3 322.478 1.134 20 10 DDCDHN C[N@@H+](Cc1ccccc1[O-])CC1CCN(S(C)(=O)=O)CC1 ZINC001207449763 873283925 /nfs/dbraw/zinc/28/39/25/873283925.db2.gz HTMFINWLCCTKJM-UHFFFAOYSA-N 0 3 312.435 1.496 20 10 DDCDHN C[N@H+](Cc1ccccc1[O-])CC1CCN(S(C)(=O)=O)CC1 ZINC001207449763 873283940 /nfs/dbraw/zinc/28/39/40/873283940.db2.gz HTMFINWLCCTKJM-UHFFFAOYSA-N 0 3 312.435 1.496 20 10 DDCDHN CC(C)(C)NC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192611 882926793 /nfs/dbraw/zinc/92/67/93/882926793.db2.gz QYUVXSIUATWIQP-SJKOYZFVSA-N 0 3 304.390 1.834 20 10 DDCDHN CC(C)(C)NC(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277192611 882926798 /nfs/dbraw/zinc/92/67/98/882926798.db2.gz QYUVXSIUATWIQP-SJKOYZFVSA-N 0 3 304.390 1.834 20 10 DDCDHN C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(F)ccc1[O-] ZINC000400192026 876498293 /nfs/dbraw/zinc/49/82/93/876498293.db2.gz MKBWLLOSNBSTBC-MWLCHTKSSA-N 0 3 302.371 1.216 20 10 DDCDHN COc1cc(CN2CC[C@]3(CCC[C@H]3C(N)=O)C2)cc(O)c1O ZINC001277217712 883068086 /nfs/dbraw/zinc/06/80/86/883068086.db2.gz DEKBQRDQCPRQAL-YVEFUNNKSA-N 0 3 320.389 1.584 20 10 DDCDHN [O-]c1ccc(F)c(Cl)c1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222510700 880526465 /nfs/dbraw/zinc/52/64/65/880526465.db2.gz DSKYHKGOCAMSML-STQMWFEESA-N 0 3 313.804 1.711 20 10 DDCDHN O=C([C@@H]1CC12CN(Cc1ccccc1O)C2)N1CCCCO1 ZINC001277446087 884339699 /nfs/dbraw/zinc/33/96/99/884339699.db2.gz MFCGTHMVYLPXDJ-AWEZNQCLSA-N 0 3 302.374 1.768 20 10 DDCDHN COCCN(C)C(=O)[C@@]12C[C@@H]1CCN2Cc1ccc(C)cc1O ZINC001277567927 885882287 /nfs/dbraw/zinc/88/22/87/885882287.db2.gz QYGPCDBEGZWKKO-MAUKXSAKSA-N 0 3 318.417 1.770 20 10 DDCDHN CCOC(=O)N1CCC(N(C)Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233016648 886730340 /nfs/dbraw/zinc/73/03/40/886730340.db2.gz HXQFGWORMPDFTR-UHFFFAOYSA-N 0 3 324.377 1.856 20 10 DDCDHN CC1(N2CCOCC2)CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233016037 886730975 /nfs/dbraw/zinc/73/09/75/886730975.db2.gz DWAHKDLSQOZOPQ-UHFFFAOYSA-N 0 3 322.405 1.490 20 10 DDCDHN CCN1CCN(c2ccc(OC[C@H]3COC(=O)O3)cc2)CC1 ZINC001234657818 888173574 /nfs/dbraw/zinc/17/35/74/888173574.db2.gz JEODOUCUWBRQBI-HNNXBMFYSA-N 0 3 306.362 1.743 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001237043939 889479187 /nfs/dbraw/zinc/47/91/87/889479187.db2.gz SRHNJHDZCSFMTF-KRWDZBQOSA-N 0 3 304.390 1.893 20 10 DDCDHN CCOc1ccc(C[N@H+]2CCC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001237043939 889479193 /nfs/dbraw/zinc/47/91/93/889479193.db2.gz SRHNJHDZCSFMTF-KRWDZBQOSA-N 0 3 304.390 1.893 20 10 DDCDHN CC/C=C(\C)C(=O)NC[C@H](CO)NCc1ccc(OC)c(C)c1 ZINC001278054739 889507026 /nfs/dbraw/zinc/50/70/26/889507026.db2.gz VVZKDHDYSBNKPJ-MSXUNZPYSA-N 0 3 320.433 1.927 20 10 DDCDHN C[N@@H+](Cc1cc(-c2ccc(F)cc2)ccc1[O-])C[C@H](O)CO ZINC001237646014 889780019 /nfs/dbraw/zinc/78/00/19/889780019.db2.gz MQRSGEDCYSPFEE-INIZCTEOSA-N 0 3 305.349 1.983 20 10 DDCDHN C[N@H+](Cc1cc(-c2ccc(F)cc2)ccc1[O-])C[C@H](O)CO ZINC001237646014 889780030 /nfs/dbraw/zinc/78/00/30/889780030.db2.gz MQRSGEDCYSPFEE-INIZCTEOSA-N 0 3 305.349 1.983 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c([O-])c1 ZINC001249173570 893855289 /nfs/dbraw/zinc/85/52/89/893855289.db2.gz UDQOTIHQXQOTJH-DOMZBBRYSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c([O-])c1 ZINC001249173570 893855306 /nfs/dbraw/zinc/85/53/06/893855306.db2.gz UDQOTIHQXQOTJH-DOMZBBRYSA-N 0 3 307.390 1.701 20 10 DDCDHN C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1[O-] ZINC000090554219 185302594 /nfs/dbraw/zinc/30/25/94/185302594.db2.gz OBZMLHBFJKOQHZ-UHFFFAOYSA-N 0 3 303.318 1.594 20 10 DDCDHN C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1[O-] ZINC000090554219 185302595 /nfs/dbraw/zinc/30/25/95/185302595.db2.gz OBZMLHBFJKOQHZ-UHFFFAOYSA-N 0 3 303.318 1.594 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@H](O)COCCOC(C)C)c1 ZINC000092473815 185320685 /nfs/dbraw/zinc/32/06/85/185320685.db2.gz UWPWMKFZQKZWJY-INIZCTEOSA-N 0 3 311.422 1.935 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+](C)C[C@H](O)COCCOC(C)C)c1 ZINC000092473815 185320686 /nfs/dbraw/zinc/32/06/86/185320686.db2.gz UWPWMKFZQKZWJY-INIZCTEOSA-N 0 3 311.422 1.935 20 10 DDCDHN C[C@H](NCC1(CO)COC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090644571 353797020 /nfs/dbraw/zinc/79/70/20/353797020.db2.gz COSKROQNPDKQDV-ZDUSSCGKSA-N 0 3 324.396 1.322 20 10 DDCDHN CC(C)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000299517295 132109324 /nfs/dbraw/zinc/10/93/24/132109324.db2.gz WRBVSJMBJUWUQA-UHFFFAOYSA-N 0 3 323.412 1.619 20 10 DDCDHN COCCN(C)CCCNC(=O)N(C)Cc1ccccc1O ZINC000079490882 407055811 /nfs/dbraw/zinc/05/58/11/407055811.db2.gz HGULXVXYQWXPAA-UHFFFAOYSA-N 0 3 309.410 1.502 20 10 DDCDHN COc1cccc(C[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c1[O-] ZINC000237210542 407804887 /nfs/dbraw/zinc/80/48/87/407804887.db2.gz JZDQRADDWQNJQA-MRXNPFEDSA-N 0 3 321.465 1.762 20 10 DDCDHN C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000179887960 407839149 /nfs/dbraw/zinc/83/91/49/407839149.db2.gz HNQNTSRSGLGSBW-SMDDNHRTSA-N 0 3 300.362 1.582 20 10 DDCDHN O=C(C[C@@H]1CNCCO1)NCc1ccc(N2CCCC2)cc1 ZINC000269264624 408239309 /nfs/dbraw/zinc/23/93/09/408239309.db2.gz YMJDRAFSGAJZRL-MRXNPFEDSA-N 0 3 303.406 1.282 20 10 DDCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1[O-] ZINC000183449073 408412780 /nfs/dbraw/zinc/41/27/80/408412780.db2.gz FDIRXUYUBHVFGY-SECBINFHSA-N 0 3 313.195 1.770 20 10 DDCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C(N)=O)C2)c1[O-] ZINC000183449073 408412787 /nfs/dbraw/zinc/41/27/87/408412787.db2.gz FDIRXUYUBHVFGY-SECBINFHSA-N 0 3 313.195 1.770 20 10 DDCDHN COC(=O)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000276483720 408867641 /nfs/dbraw/zinc/86/76/41/408867641.db2.gz OSZMSYVWWLBJGQ-PWSUYJOCSA-N 0 3 307.346 1.752 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000295034633 409309168 /nfs/dbraw/zinc/30/91/68/409309168.db2.gz LZAQRBRZBWWXHP-CYBMUJFWSA-N 0 3 300.424 1.426 20 10 DDCDHN C[C@@H](O)CN1CCN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC000284529129 409348501 /nfs/dbraw/zinc/34/85/01/409348501.db2.gz ZUFNQTHCESAANK-UONOGXRCSA-N 0 3 309.429 1.779 20 10 DDCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1ccccc1[O-] ZINC000378513059 418724066 /nfs/dbraw/zinc/72/40/66/418724066.db2.gz ZLFFLVAGHUCHCA-WCQYABFASA-N 0 3 300.362 1.582 20 10 DDCDHN COc1cccc(CN2CC[C@H](NC(=O)C3CCC3)C2)c1O ZINC000371383543 418788483 /nfs/dbraw/zinc/78/84/83/418788483.db2.gz ONUVQGLERWSWTN-AWEZNQCLSA-N 0 3 304.390 1.891 20 10 DDCDHN CCOCC[C@@H](O)CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000373132800 418928982 /nfs/dbraw/zinc/92/89/82/418928982.db2.gz XPADNAHKTMMUJJ-QGZVFWFLSA-N 0 3 322.449 1.995 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2COCCN2)c1[O-] ZINC000530180645 421584273 /nfs/dbraw/zinc/58/42/73/421584273.db2.gz BDDZMCMBWFJONN-LBPRGKRZSA-N 0 3 315.211 1.541 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([O-])c1O ZINC000182823551 526128038 /nfs/dbraw/zinc/12/80/38/526128038.db2.gz MPVKXMWEJXWCDX-GXTWGEPZSA-N 0 3 304.390 1.963 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([O-])c1O ZINC000182823551 526128041 /nfs/dbraw/zinc/12/80/41/526128041.db2.gz MPVKXMWEJXWCDX-GXTWGEPZSA-N 0 3 304.390 1.963 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CCOC2)c1[O-] ZINC000182662579 526158039 /nfs/dbraw/zinc/15/80/39/526158039.db2.gz JCWRVLVHBNYKAE-CYBMUJFWSA-N 0 3 316.195 1.704 20 10 DDCDHN COc1cc([O-])c(C[NH2+]C2CCC(NC(C)=O)CC2)cc1OC ZINC000290108336 536857059 /nfs/dbraw/zinc/85/70/59/536857059.db2.gz IBSWXHMGYKLJIA-UHFFFAOYSA-N 0 3 322.405 1.946 20 10 DDCDHN CCN1CCN(C(=O)[C@@H](C)N(C)Cc2ccccc2O)CC1 ZINC000111235939 696642918 /nfs/dbraw/zinc/64/29/18/696642918.db2.gz QOPBUFABRRWRJD-CQSZACIVSA-N 0 3 305.422 1.377 20 10 DDCDHN CCOC(=O)CN(C)C(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000775370486 697989417 /nfs/dbraw/zinc/98/94/17/697989417.db2.gz NSTKYXXDZYNSMN-NSHDSACASA-N 0 3 324.377 1.073 20 10 DDCDHN CCOc1ccc(C[NH2+]CC(=O)NCc2ccco2)c([O-])c1 ZINC000725845075 699335779 /nfs/dbraw/zinc/33/57/79/699335779.db2.gz IVAVQCVDZAHJNM-UHFFFAOYSA-N 0 3 304.346 1.790 20 10 DDCDHN CCOc1ccc(CNCC(=O)NCc2ccco2)c(O)c1 ZINC000725845075 699335782 /nfs/dbraw/zinc/33/57/82/699335782.db2.gz IVAVQCVDZAHJNM-UHFFFAOYSA-N 0 3 304.346 1.790 20 10 DDCDHN CNC(=O)NC(=O)CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731848465 699537883 /nfs/dbraw/zinc/53/78/83/699537883.db2.gz YOPVMHMYNLTQKL-UHFFFAOYSA-N 0 3 319.405 1.983 20 10 DDCDHN CNC(=O)NC(=O)CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731848465 699537885 /nfs/dbraw/zinc/53/78/85/699537885.db2.gz YOPVMHMYNLTQKL-UHFFFAOYSA-N 0 3 319.405 1.983 20 10 DDCDHN C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756601833 700631241 /nfs/dbraw/zinc/63/12/41/700631241.db2.gz BIRZGAVYOKGSEO-NSHDSACASA-N 0 3 309.366 1.408 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](n3cccn3)C1)[C@H](O)CO2 ZINC000812296376 702140634 /nfs/dbraw/zinc/14/06/34/702140634.db2.gz NJNZNNACIPBZCC-SWLSCSKDSA-N 0 3 301.346 1.462 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](n3cccn3)C1)[C@H](O)CO2 ZINC000812296376 702140637 /nfs/dbraw/zinc/14/06/37/702140637.db2.gz NJNZNNACIPBZCC-SWLSCSKDSA-N 0 3 301.346 1.462 20 10 DDCDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@H](C)CN1CCO ZINC000841891653 702608449 /nfs/dbraw/zinc/60/84/49/702608449.db2.gz NWPUFDRLBUWSSF-ZIAGYGMSSA-N 0 3 309.429 1.779 20 10 DDCDHN Nc1ccc(CCNC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000841954102 702634318 /nfs/dbraw/zinc/63/43/18/702634318.db2.gz HWCYAXRHBOUGNE-INIZCTEOSA-N 0 3 300.406 1.467 20 10 DDCDHN COc1ccc(N2CCN(CCC(C)(C)O)CC2)c(OC)c1 ZINC000879463472 706686311 /nfs/dbraw/zinc/68/63/11/706686311.db2.gz XSDHLVLPIMTYBA-UHFFFAOYSA-N 0 3 308.422 1.987 20 10 DDCDHN C[C@@H](O)[C@@H](CO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000842221982 702684037 /nfs/dbraw/zinc/68/40/37/702684037.db2.gz WUUHIDRPUPITKH-TZMCWYRMSA-N 0 3 323.393 1.416 20 10 DDCDHN CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)c([O-])c1 ZINC000843435719 702882054 /nfs/dbraw/zinc/88/20/54/702882054.db2.gz XLXHQQSDVUWICE-STQMWFEESA-N 0 3 309.362 1.147 20 10 DDCDHN CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)c([O-])c1 ZINC000843435719 702882056 /nfs/dbraw/zinc/88/20/56/702882056.db2.gz XLXHQQSDVUWICE-STQMWFEESA-N 0 3 309.362 1.147 20 10 DDCDHN CN(C)c1ccc(/C=C\CN[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000846030442 703229063 /nfs/dbraw/zinc/22/90/63/703229063.db2.gz DKAWKABSZFFRBU-FOSCPCJNSA-N 0 3 323.462 1.389 20 10 DDCDHN CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000879648300 706749621 /nfs/dbraw/zinc/74/96/21/706749621.db2.gz JFGOOBRYCVYQSO-OCCSQVGLSA-N 0 3 319.405 1.170 20 10 DDCDHN COc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c([O-])c1 ZINC000848908569 703602095 /nfs/dbraw/zinc/60/20/95/703602095.db2.gz XMGOJUUTUVMLLU-HNNXBMFYSA-N 0 3 306.406 1.744 20 10 DDCDHN CCOc1ccc(O)c(CN[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1 ZINC000850368032 703727820 /nfs/dbraw/zinc/72/78/20/703727820.db2.gz HQOCBJJTHIJIGT-DGCLKSJQSA-N 0 3 313.419 1.846 20 10 DDCDHN O=C1C[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CN1 ZINC000851840925 703868437 /nfs/dbraw/zinc/86/84/37/703868437.db2.gz MBAWEAASQMQSDG-DZGCQCFKSA-N 0 3 304.390 1.509 20 10 DDCDHN O=C1C[C@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CN1 ZINC000851840925 703868440 /nfs/dbraw/zinc/86/84/40/703868440.db2.gz MBAWEAASQMQSDG-DZGCQCFKSA-N 0 3 304.390 1.509 20 10 DDCDHN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](CC)N(C)C ZINC000819696989 704160660 /nfs/dbraw/zinc/16/06/60/704160660.db2.gz KICPTJWXBUAMPS-CQSZACIVSA-N 0 3 322.405 1.624 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](n3ccnn3)C1)[C@@H](O)CO2 ZINC000819895977 704182851 /nfs/dbraw/zinc/18/28/51/704182851.db2.gz CSWFHOZCWOACEW-DOMZBBRYSA-N 0 3 316.361 1.247 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](n3ccnn3)C1)[C@@H](O)CO2 ZINC000819895977 704182853 /nfs/dbraw/zinc/18/28/53/704182853.db2.gz CSWFHOZCWOACEW-DOMZBBRYSA-N 0 3 316.361 1.247 20 10 DDCDHN Oc1cc2c(cc1CN1CCC[C@@H](n3ccnn3)C1)[C@@H](O)CO2 ZINC000819895977 704182855 /nfs/dbraw/zinc/18/28/55/704182855.db2.gz CSWFHOZCWOACEW-DOMZBBRYSA-N 0 3 316.361 1.247 20 10 DDCDHN COc1cc(CN2CC[C@@H](N3CCOC3=O)C2)c(O)cc1C ZINC000853538679 704262893 /nfs/dbraw/zinc/26/28/93/704262893.db2.gz IVDSJJYKGZEEDK-CYBMUJFWSA-N 0 3 306.362 1.736 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)CN(C)C(C)C)C2)cc1 ZINC000855229430 704474228 /nfs/dbraw/zinc/47/42/28/704474228.db2.gz KGOBZUFVHNBHDB-CQSZACIVSA-N 0 3 305.422 1.730 20 10 DDCDHN N[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000827567366 706028112 /nfs/dbraw/zinc/02/81/12/706028112.db2.gz ICOBFATXCDRHGG-MRXNPFEDSA-N 0 3 303.406 1.267 20 10 DDCDHN CCS(=O)(=O)NCCNC/C=C\c1ccc(N(C)C)cc1 ZINC000835034475 707160302 /nfs/dbraw/zinc/16/03/02/707160302.db2.gz BBFYJHZMDFJXFB-WAYWQWQTSA-N 0 3 311.451 1.295 20 10 DDCDHN Cc1cccc(O)c1C[NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898150814 708557781 /nfs/dbraw/zinc/55/77/81/708557781.db2.gz DAYXGMVBLWQKPC-GFCCVEGCSA-N 0 3 300.362 1.565 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCOC2)N(C)C)cc1 ZINC000891252371 710142583 /nfs/dbraw/zinc/14/25/83/710142583.db2.gz KAYFTRGHPQONAD-YOEHRIQHSA-N 0 3 319.449 1.898 20 10 DDCDHN CO[C@@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254962 710143364 /nfs/dbraw/zinc/14/33/64/710143364.db2.gz LFAOBEJKHALBBM-BBRMVZONSA-N 0 3 307.438 1.897 20 10 DDCDHN CS(=O)(=O)C1CC(NCc2ccc(N3CCOCC3)cc2)C1 ZINC000892669032 710479019 /nfs/dbraw/zinc/47/90/19/710479019.db2.gz UTXLCSLMAKHVGB-UHFFFAOYSA-N 0 3 324.446 1.188 20 10 DDCDHN CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)cc1 ZINC000911665236 710915133 /nfs/dbraw/zinc/91/51/33/710915133.db2.gz BMVVGPIEEPFLKV-LQKXBSAESA-N 0 3 301.390 1.094 20 10 DDCDHN CC[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccc(C)cc1[O-] ZINC000903279661 711086031 /nfs/dbraw/zinc/08/60/31/711086031.db2.gz RBHRZXCNPYGDIC-DOTOQJQBSA-N 0 3 308.422 1.434 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CCCn2ccc(=O)[nH]c2=O)c([O-])c1 ZINC000903432580 711125010 /nfs/dbraw/zinc/12/50/10/711125010.db2.gz PNISXDGAQRIWHC-GFCCVEGCSA-N 0 3 303.362 1.704 20 10 DDCDHN O=C(NCc1ccccc1O)NC[C@H]1CCN1C1CCOCC1 ZINC000915525483 713422213 /nfs/dbraw/zinc/42/22/13/713422213.db2.gz PEEQWNLJFRMZKM-OAHLLOKOSA-N 0 3 319.405 1.445 20 10 DDCDHN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1CCN(C2CC2)C1 ZINC000924887444 714688560 /nfs/dbraw/zinc/68/85/60/714688560.db2.gz SWLPYMLMUPVZDX-AWEZNQCLSA-N 0 3 315.373 1.393 20 10 DDCDHN COc1cc([O-])c(CN2CCC[NH2+]CC2)c(Br)c1 ZINC001204684906 741276771 /nfs/dbraw/zinc/27/67/71/741276771.db2.gz OOWOGPWOEHHVCQ-UHFFFAOYSA-N 0 3 315.211 1.959 20 10 DDCDHN [O-]c1cccc(F)c1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC001137838716 751829387 /nfs/dbraw/zinc/82/93/87/751829387.db2.gz IPGGAUDVYBRZBK-UHFFFAOYSA-N 0 3 307.413 1.745 20 10 DDCDHN Oc1ccc(CN2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c(O)c1 ZINC001204274945 779816862 /nfs/dbraw/zinc/81/68/62/779816862.db2.gz JWEMTEFCQSSNIM-ZMSDIMECSA-N 0 3 305.374 1.724 20 10 DDCDHN CN1C[C@@]2(CC1=O)COCCN(Cc1cc(F)ccc1O)C2 ZINC001273285063 849333508 /nfs/dbraw/zinc/33/35/08/849333508.db2.gz NGXZHXFYTSTEIS-MRXNPFEDSA-N 0 3 308.353 1.212 20 10 DDCDHN CN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138130989 860013319 /nfs/dbraw/zinc/01/33/19/860013319.db2.gz MWJMAACWHMFCGT-CYBMUJFWSA-N 0 3 309.385 1.174 20 10 DDCDHN CN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138130989 860013328 /nfs/dbraw/zinc/01/33/28/860013328.db2.gz MWJMAACWHMFCGT-CYBMUJFWSA-N 0 3 309.385 1.174 20 10 DDCDHN [O-]c1ccc(F)cc1C[NH+]1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001140054486 860565061 /nfs/dbraw/zinc/56/50/61/860565061.db2.gz RULQFDCBSRHDOZ-KBPBESRZSA-N 0 3 314.364 1.890 20 10 DDCDHN Cc1ccc(O)c(CN2CCN(c3ncc(O)cn3)CC2)c1 ZINC001140622944 860664564 /nfs/dbraw/zinc/66/45/64/860664564.db2.gz FQAQAYQPPWOOEH-UHFFFAOYSA-N 0 3 300.362 1.518 20 10 DDCDHN COc1cc(O)c(CN(C)[C@@H]2CCCN(C(C)=O)C2)c(OC)c1 ZINC001141030875 860766959 /nfs/dbraw/zinc/76/69/59/860766959.db2.gz OWPWCCCLDNZUDZ-CYBMUJFWSA-N 0 3 322.405 1.852 20 10 DDCDHN COc1cc([O-])c(C[NH+]2CCC3(CNC(=O)N3)CC2)c(OC)c1 ZINC001141031059 860766985 /nfs/dbraw/zinc/76/69/85/860766985.db2.gz WKFBMHBWVGLOQJ-UHFFFAOYSA-N 0 3 321.377 1.057 20 10 DDCDHN CN1C[C@@H]2CC[C@H](CC1=O)[N@@H+]2Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001337259602 869405347 /nfs/dbraw/zinc/40/53/47/869405347.db2.gz NTFMLYFGHYOCLQ-XUJVJEKNSA-N 0 3 318.373 1.013 20 10 DDCDHN CN1C[C@@H]2CC[C@H](CC1=O)[N@H+]2Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001337259602 869405352 /nfs/dbraw/zinc/40/53/52/869405352.db2.gz NTFMLYFGHYOCLQ-XUJVJEKNSA-N 0 3 318.373 1.013 20 10 DDCDHN O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)C1CCOCC1 ZINC001203560588 870640840 /nfs/dbraw/zinc/64/08/40/870640840.db2.gz DJAZDODPQDFFPE-MRXNPFEDSA-N 0 3 318.417 1.899 20 10 DDCDHN O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)C1CCOCC1 ZINC001203560588 870640854 /nfs/dbraw/zinc/64/08/54/870640854.db2.gz DJAZDODPQDFFPE-MRXNPFEDSA-N 0 3 318.417 1.899 20 10 DDCDHN Oc1ccc(CN2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)cc1O ZINC001203876377 870811190 /nfs/dbraw/zinc/81/11/90/870811190.db2.gz CIGFUFKERUOBRB-KBPBESRZSA-N 0 3 312.373 1.456 20 10 DDCDHN CCN1CC2(CC1=O)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001204278045 871037815 /nfs/dbraw/zinc/03/78/15/871037815.db2.gz QSANUMPMMSLRFP-UHFFFAOYSA-N 0 3 304.390 1.932 20 10 DDCDHN CC1=NC2(CC[NH+](Cc3ccc(O)cc3[O-])CC2)C(=O)N1C ZINC001204278039 871038082 /nfs/dbraw/zinc/03/80/82/871038082.db2.gz QGZTZLZRNHCURD-UHFFFAOYSA-N 0 3 303.362 1.323 20 10 DDCDHN NC(=O)NC1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204320225 871053786 /nfs/dbraw/zinc/05/37/86/871053786.db2.gz PDYPHSTTXOMNOH-UHFFFAOYSA-N 0 3 302.422 1.920 20 10 DDCDHN CC[C@@H](C)C[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001341554932 871711131 /nfs/dbraw/zinc/71/11/31/871711131.db2.gz GRQZWTBBMRIUCT-RHSMWYFYSA-N 0 3 319.449 1.903 20 10 DDCDHN CCn1cc(CNCc2cc(C)cc(OC)c2O)c(=O)[nH]c1=O ZINC001207858242 873616825 /nfs/dbraw/zinc/61/68/25/873616825.db2.gz IHVOHRGGUZUNBN-UHFFFAOYSA-N 0 3 319.361 1.281 20 10 DDCDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1O ZINC001355364497 878521973 /nfs/dbraw/zinc/52/19/73/878521973.db2.gz XCZRAZDOPVIJKQ-GUYCJALGSA-N 0 3 307.413 1.390 20 10 DDCDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(N)cc1 ZINC001357792128 880198171 /nfs/dbraw/zinc/19/81/71/880198171.db2.gz STWMLMGFGZTCQU-AWEZNQCLSA-N 0 3 319.453 1.094 20 10 DDCDHN Cc1cccc(CN2C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001231592154 885752981 /nfs/dbraw/zinc/75/29/81/885752981.db2.gz FDYNXVKSZDMXCB-UONOGXRCSA-N 0 3 322.405 1.770 20 10 DDCDHN COCCN(C)C(=O)[C@H]1CC12CN(Cc1ccc(C)cc1O)C2 ZINC001277568681 885884278 /nfs/dbraw/zinc/88/42/78/885884278.db2.gz UJHJQWYGZIWWKP-OAHLLOKOSA-N 0 3 318.417 1.627 20 10 DDCDHN COCC(=O)N[C@@H]1CCCN(Cc2ccc(N(C)C)cc2O)C1 ZINC001232841827 886629616 /nfs/dbraw/zinc/62/96/16/886629616.db2.gz TZXSPCHVQVRDNG-CQSZACIVSA-N 0 3 321.421 1.185 20 10 DDCDHN CCN1CCN(c2ccc(OC3CCN(N)CC3)cc2)CC1 ZINC001234657865 888172402 /nfs/dbraw/zinc/17/24/02/888172402.db2.gz KKTZPOSLCSCFES-UHFFFAOYSA-N 0 3 304.438 1.545 20 10 DDCDHN Oc1cc(OCC(F)(F)F)ccc1CN1CCOC[C@@H](O)C1 ZINC001237053245 889485197 /nfs/dbraw/zinc/48/51/97/889485197.db2.gz IJUVRTIKUIYVFI-NSHDSACASA-N 0 3 321.295 1.526 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC001249177646 893854241 /nfs/dbraw/zinc/85/42/41/893854241.db2.gz HLDUOANBLWHBKT-CABCVRRESA-N 0 3 305.374 1.576 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC001249177646 893854258 /nfs/dbraw/zinc/85/42/58/893854258.db2.gz HLDUOANBLWHBKT-CABCVRRESA-N 0 3 305.374 1.576 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)c([O-])c1 ZINC001249208393 893865095 /nfs/dbraw/zinc/86/50/95/893865095.db2.gz TUGZAEGORZQBII-OKILXGFUSA-N 0 3 303.358 1.519 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c([O-])c1 ZINC001249208393 893865082 /nfs/dbraw/zinc/86/50/82/893865082.db2.gz TUGZAEGORZQBII-OKILXGFUSA-N 0 3 303.358 1.519 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c1 ZINC000370286304 223629583 /nfs/dbraw/zinc/62/95/83/223629583.db2.gz URNUXSGQGBGYAD-RHSMWYFYSA-N 0 3 304.390 1.938 20 10 DDCDHN COc1ccc([O-])c(C[NH2+]CCCCCS(C)(=O)=O)c1 ZINC000187693860 407879578 /nfs/dbraw/zinc/87/95/78/407879578.db2.gz VUBCIGUXJCHHJI-UHFFFAOYSA-N 0 3 301.408 1.705 20 10 DDCDHN CCOCc1cc(CN[C@@H]2C(=O)NCC[C@@H]2C)ccc1OC ZINC000193684232 408737317 /nfs/dbraw/zinc/73/73/17/408737317.db2.gz FSJFEQYWVGBUSS-LRDDRELGSA-N 0 3 306.406 1.846 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)c1 ZINC000185341381 408797887 /nfs/dbraw/zinc/79/78/87/408797887.db2.gz AZGAAYIYLNOKHJ-ZDUSSCGKSA-N 0 3 321.421 1.216 20 10 DDCDHN CCCCN(CC(=O)NCC(=O)OC)Cc1ccccc1O ZINC000282422011 409051710 /nfs/dbraw/zinc/05/17/10/409051710.db2.gz JLAFMURDMVXZSO-UHFFFAOYSA-N 0 3 308.378 1.284 20 10 DDCDHN COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000278799708 409090478 /nfs/dbraw/zinc/09/04/78/409090478.db2.gz XKFQGOVIYZTSAU-DOTOQJQBSA-N 0 3 323.433 1.855 20 10 DDCDHN COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000278799708 409090479 /nfs/dbraw/zinc/09/04/79/409090479.db2.gz XKFQGOVIYZTSAU-DOTOQJQBSA-N 0 3 323.433 1.855 20 10 DDCDHN CCN1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278880517 409106609 /nfs/dbraw/zinc/10/66/09/409106609.db2.gz OCGCKQZOWJYHOG-NSHDSACASA-N 0 3 309.366 1.740 20 10 DDCDHN CC[N@@H+]1CC[C@@H](CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278880517 409106610 /nfs/dbraw/zinc/10/66/10/409106610.db2.gz OCGCKQZOWJYHOG-NSHDSACASA-N 0 3 309.366 1.740 20 10 DDCDHN CC[N@H+]1CC[C@@H](CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278880517 409106611 /nfs/dbraw/zinc/10/66/11/409106611.db2.gz OCGCKQZOWJYHOG-NSHDSACASA-N 0 3 309.366 1.740 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1[O-] ZINC000293968404 409217088 /nfs/dbraw/zinc/21/70/88/409217088.db2.gz QJGJOOZTBDTSBZ-NEPJUHHUSA-N 0 3 301.770 1.684 20 10 DDCDHN CC[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000279981321 409254014 /nfs/dbraw/zinc/25/40/14/409254014.db2.gz DPNAIBRKCFBRGW-ZDUSSCGKSA-N 0 3 300.424 1.681 20 10 DDCDHN CCOc1cccc(C[NH2+]CCCn2cc(CO)nn2)c1[O-] ZINC000290003988 409291472 /nfs/dbraw/zinc/29/14/72/409291472.db2.gz YLNYMDMFVHMHJS-UHFFFAOYSA-N 0 3 306.366 1.055 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC000295035177 409308636 /nfs/dbraw/zinc/30/86/36/409308636.db2.gz DMKQDNDJCSWVFM-HNNXBMFYSA-N 0 3 308.422 1.727 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN(C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000298019001 410082580 /nfs/dbraw/zinc/08/25/80/410082580.db2.gz AZIDSBCFSYOHAD-QAQDUYKDSA-N 0 3 319.449 1.604 20 10 DDCDHN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]1CN1CCC[C@H]1CO ZINC000361064816 418575762 /nfs/dbraw/zinc/57/57/62/418575762.db2.gz CLPZYZCMFUIPFS-GJZGRUSLSA-N 0 3 308.397 1.952 20 10 DDCDHN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H]1CN1CCC[C@H]1CO ZINC000361064816 418575764 /nfs/dbraw/zinc/57/57/64/418575764.db2.gz CLPZYZCMFUIPFS-GJZGRUSLSA-N 0 3 308.397 1.952 20 10 DDCDHN COc1cccc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1[O-] ZINC000367656574 418620312 /nfs/dbraw/zinc/62/03/12/418620312.db2.gz DDNWQYMBPLJQSR-LBPRGKRZSA-N 0 3 314.389 2.153 20 10 DDCDHN COc1cccc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1[O-] ZINC000367656574 418620315 /nfs/dbraw/zinc/62/03/15/418620315.db2.gz DDNWQYMBPLJQSR-LBPRGKRZSA-N 0 3 314.389 2.153 20 10 DDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000368037310 418677132 /nfs/dbraw/zinc/67/71/32/418677132.db2.gz IVIFSLNHPCCFPM-HHAVJRIZSA-N 0 3 318.373 1.090 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CC[C@H]3CCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000370526782 418745353 /nfs/dbraw/zinc/74/53/53/418745353.db2.gz GBDAUMSDUAEBJX-RISCZKNCSA-N 0 3 321.377 1.835 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CC[C@H]3CCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000370526782 418745356 /nfs/dbraw/zinc/74/53/56/418745356.db2.gz GBDAUMSDUAEBJX-RISCZKNCSA-N 0 3 321.377 1.835 20 10 DDCDHN CNS(=O)(=O)C1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000372399195 418864232 /nfs/dbraw/zinc/86/42/32/418864232.db2.gz DJDDWDLPDUEOHU-UHFFFAOYSA-N 0 3 312.435 1.523 20 10 DDCDHN COc1cccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000289716148 278011597 /nfs/dbraw/zinc/01/15/97/278011597.db2.gz PDTHAFKFBLWZSF-UKRRQHHQSA-N 0 3 306.406 1.696 20 10 DDCDHN COc1cccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000289716148 278011599 /nfs/dbraw/zinc/01/15/99/278011599.db2.gz PDTHAFKFBLWZSF-UKRRQHHQSA-N 0 3 306.406 1.696 20 10 DDCDHN Cc1cccc(C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1[O-] ZINC000375398844 337010254 /nfs/dbraw/zinc/01/02/54/337010254.db2.gz APBWPIABVDTVOA-GHMZBOCLSA-N 0 3 302.296 1.796 20 10 DDCDHN Cc1cccc(C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1[O-] ZINC000375398844 337010255 /nfs/dbraw/zinc/01/02/55/337010255.db2.gz APBWPIABVDTVOA-GHMZBOCLSA-N 0 3 302.296 1.796 20 10 DDCDHN CC[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000036828291 696131209 /nfs/dbraw/zinc/13/12/09/696131209.db2.gz KMTOCYBHNFUFHP-AWEZNQCLSA-N 0 3 312.435 1.857 20 10 DDCDHN COC[C@@H](O)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000117946248 696671819 /nfs/dbraw/zinc/67/18/19/696671819.db2.gz NKOJSTGVGDRHQU-JTQLQIEISA-N 0 3 320.183 1.260 20 10 DDCDHN C[C@@H](NCC(=O)N1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000775253339 697976539 /nfs/dbraw/zinc/97/65/39/697976539.db2.gz AKXVMLCZKJDJNU-CQSZACIVSA-N 0 3 303.406 1.406 20 10 DDCDHN O=[N+]([O-])c1cc(CNC[C@@H](O)CO)ccc1N1CCCCC1 ZINC000785979623 699114707 /nfs/dbraw/zinc/11/47/07/699114707.db2.gz AAJLDUCCBMNYDY-CYBMUJFWSA-N 0 3 309.366 1.028 20 10 DDCDHN O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc([O-])cs1 ZINC000736684686 699730574 /nfs/dbraw/zinc/73/05/74/699730574.db2.gz YMZHWLNFIRSEPC-NSHDSACASA-N 0 3 310.419 1.684 20 10 DDCDHN CCCN(Cc1cc(C)c(C)cc1O)[C@H]1CC(=O)N(C)C1=O ZINC000802655724 700415878 /nfs/dbraw/zinc/41/58/78/700415878.db2.gz AYYHJVNTBJSDRN-AWEZNQCLSA-N 0 3 304.390 1.978 20 10 DDCDHN CCOc1ccc(CN2CCc3nn(C)c(=O)cc3C2)c(O)c1 ZINC000769512593 701248002 /nfs/dbraw/zinc/24/80/02/701248002.db2.gz KKPDFWUPATZQOL-UHFFFAOYSA-N 0 3 315.373 1.443 20 10 DDCDHN COC(=O)[C@@H]1C[C@@H](O)CN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000830865590 706593870 /nfs/dbraw/zinc/59/38/70/706593870.db2.gz ORCMRQKGTCDGKC-HUUCEWRRSA-N 0 3 306.406 1.417 20 10 DDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(=O)N2CCOCC2)c1[O-] ZINC000808710245 701532526 /nfs/dbraw/zinc/53/25/26/701532526.db2.gz NWHBQORWHGZAKT-LLVKDONJSA-N 0 3 312.797 1.863 20 10 DDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)N(C)C)c1[O-] ZINC000810263036 701748730 /nfs/dbraw/zinc/74/87/30/701748730.db2.gz IDHLVIUTVCXROR-JTQLQIEISA-N 0 3 320.842 1.896 20 10 DDCDHN COCC(COC)N1CCN(Cc2cc(C)ccc2O)CC1 ZINC000840955738 702292283 /nfs/dbraw/zinc/29/22/83/702292283.db2.gz YMOPAWGBHGMNAR-UHFFFAOYSA-N 0 3 308.422 1.480 20 10 DDCDHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841006803 702307240 /nfs/dbraw/zinc/30/72/40/702307240.db2.gz IDWWFJPYRUSFMH-LBPRGKRZSA-N 0 3 304.394 1.198 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)c([O-])c1 ZINC000866571556 706732456 /nfs/dbraw/zinc/73/24/56/706732456.db2.gz CUEIAHROSRADRB-NSHDSACASA-N 0 3 300.424 1.666 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)[C@H](N)C2CCC2)cc1 ZINC000846695888 703319243 /nfs/dbraw/zinc/31/92/43/703319243.db2.gz BKVYYVUCDJTRON-MRXNPFEDSA-N 0 3 305.422 1.717 20 10 DDCDHN CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[O-])C(=O)OC ZINC000879647657 706749185 /nfs/dbraw/zinc/74/91/85/706749185.db2.gz HJJDODSBJBXUSF-HWWQOWPSSA-N 0 3 322.405 1.747 20 10 DDCDHN CCCNC(=O)CN(C)C(=O)CN[C@@H](C)c1ccccc1O ZINC000879651616 706750214 /nfs/dbraw/zinc/75/02/14/706750214.db2.gz DLGHPOALVJLKGG-LBPRGKRZSA-N 0 3 307.394 1.027 20 10 DDCDHN CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651616 706750217 /nfs/dbraw/zinc/75/02/17/706750217.db2.gz DLGHPOALVJLKGG-LBPRGKRZSA-N 0 3 307.394 1.027 20 10 DDCDHN CN(C)c1cc(F)c(CNCC[C@@]2(O)CCOC2)cc1F ZINC000858184290 704675149 /nfs/dbraw/zinc/67/51/49/704675149.db2.gz KEDCMQXJPXASMX-OAHLLOKOSA-N 0 3 300.349 1.662 20 10 DDCDHN COc1ccc(N2CCC(Nc3nc(N)nc(N)n3)CC2)cc1 ZINC000858385903 704703183 /nfs/dbraw/zinc/70/31/83/704703183.db2.gz JXLAYYATGDBQJL-UHFFFAOYSA-N 0 3 315.381 1.126 20 10 DDCDHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccccc1[O-] ZINC000858498759 704718703 /nfs/dbraw/zinc/71/87/03/704718703.db2.gz UURJBZVDAVHSQD-IACUBPJLSA-N 0 3 312.435 1.903 20 10 DDCDHN COc1cccc(CN2CCC[C@@H](NC(=O)N(C)C)C2)c1O ZINC000825278391 705638375 /nfs/dbraw/zinc/63/83/75/705638375.db2.gz BZIBXGXULKVCSF-CYBMUJFWSA-N 0 3 307.394 1.636 20 10 DDCDHN C[C@@H]1C[N@H+](CCO)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000825338605 705648944 /nfs/dbraw/zinc/64/89/44/705648944.db2.gz QZLJOZMZEIQPQF-SNVBAGLBSA-N 0 3 302.777 1.683 20 10 DDCDHN C[C@@H]1C[N@@H+](CCO)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000825338605 705648948 /nfs/dbraw/zinc/64/89/48/705648948.db2.gz QZLJOZMZEIQPQF-SNVBAGLBSA-N 0 3 302.777 1.683 20 10 DDCDHN Cc1ccc(CN2CCCC[C@H]2CNS(C)(=O)=O)c(O)c1 ZINC000876582146 705768717 /nfs/dbraw/zinc/76/87/17/705768717.db2.gz UIPSRGRHFNLRLZ-AWEZNQCLSA-N 0 3 312.435 1.604 20 10 DDCDHN Cc1ccc(CN2CCC(N3CCCS3(=O)=O)CC2)c(O)c1 ZINC000877586325 706150168 /nfs/dbraw/zinc/15/01/68/706150168.db2.gz AOFNBULOGRCTPN-UHFFFAOYSA-N 0 3 324.446 1.701 20 10 DDCDHN CCOc1ccc(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c([O-])c1 ZINC000877668222 706175013 /nfs/dbraw/zinc/17/50/13/706175013.db2.gz HJQNRNGFRIBMGM-CALCHBBNSA-N 0 3 318.373 1.276 20 10 DDCDHN CCOc1ccc(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c([O-])c1 ZINC000877668222 706175015 /nfs/dbraw/zinc/17/50/15/706175015.db2.gz HJQNRNGFRIBMGM-CALCHBBNSA-N 0 3 318.373 1.276 20 10 DDCDHN O=C1[C@@H](NCc2cc3c(cc2O)OCO3)C[C@@H]2CCCCN12 ZINC000835072718 707166910 /nfs/dbraw/zinc/16/69/10/707166910.db2.gz IIVKBSQJKQXZOO-RYUDHWBXSA-N 0 3 304.346 1.364 20 10 DDCDHN CCN1CCN([C@H](C)C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000882890321 707839684 /nfs/dbraw/zinc/83/96/84/707839684.db2.gz VIUIKTBGNBURTL-GFCCVEGCSA-N 0 3 313.392 1.786 20 10 DDCDHN CN1CCN(CC[NH2+]Cc2cc(F)cc(F)c2[O-])CC1(C)C ZINC000883112007 707930454 /nfs/dbraw/zinc/93/04/54/707930454.db2.gz VZVLKAXUKGPCME-UHFFFAOYSA-N 0 3 313.392 1.786 20 10 DDCDHN COc1ccc(N2CC[C@H](CNC(=O)[C@H](N)CC3CC3)C2)cc1 ZINC000884368636 708266450 /nfs/dbraw/zinc/26/64/50/708266450.db2.gz CWOCDSUWSGQHOK-RHSMWYFYSA-N 0 3 317.433 1.765 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@H](N)CC3CC3)C2)cc1 ZINC000884398265 708280443 /nfs/dbraw/zinc/28/04/43/708280443.db2.gz ZTFPASBYCDTMPV-XJKSGUPXSA-N 0 3 303.406 1.518 20 10 DDCDHN COc1cc(O)c(CNCc2cnn(CCF)c2)cc1OC ZINC000897738354 708435999 /nfs/dbraw/zinc/43/59/99/708435999.db2.gz ZMYMDVKLELPFOK-UHFFFAOYSA-N 0 3 309.341 1.865 20 10 DDCDHN C[C@@]1(NCc2ccc(N3CCC(O)CC3)cc2)CCNC1=O ZINC000897870089 708476305 /nfs/dbraw/zinc/47/63/05/708476305.db2.gz XHOPJTYAVGYFDG-QGZVFWFLSA-N 0 3 303.406 1.016 20 10 DDCDHN COc1ccc(C[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1C ZINC000898159495 708561152 /nfs/dbraw/zinc/56/11/52/708561152.db2.gz ZMKWNJSDZOZXHD-AWEZNQCLSA-N 0 3 314.389 1.868 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCOCC2)N(C)C)cc1 ZINC000899101728 708983324 /nfs/dbraw/zinc/98/33/24/708983324.db2.gz LHHXAPNXPCWSBD-MRXNPFEDSA-N 0 3 320.437 1.397 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@@H](O)C2)N(C)C)cc1 ZINC000891245595 710140135 /nfs/dbraw/zinc/14/01/35/710140135.db2.gz HIXOPLPAHFHBID-IMJJTQAJSA-N 0 3 305.422 1.242 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cn(C)cn2)N(C)C)cc1 ZINC000891251924 710142434 /nfs/dbraw/zinc/14/24/34/710142434.db2.gz ICKLWAOENNCCTJ-INIZCTEOSA-N 0 3 315.421 1.519 20 10 DDCDHN O[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)C1(O)CCC1 ZINC000905055516 711922270 /nfs/dbraw/zinc/92/22/70/711922270.db2.gz PDQBTBFXXLQVGA-MRXNPFEDSA-N 0 3 324.396 1.028 20 10 DDCDHN Cc1nc([C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)no1 ZINC000905681757 712116711 /nfs/dbraw/zinc/11/67/11/712116711.db2.gz ISCUTFXXDRJXQL-IINYFYTJSA-N 0 3 317.345 1.499 20 10 DDCDHN Cc1nc([C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)no1 ZINC000905681757 712116712 /nfs/dbraw/zinc/11/67/12/712116712.db2.gz ISCUTFXXDRJXQL-IINYFYTJSA-N 0 3 317.345 1.499 20 10 DDCDHN COc1ccc(O)c(CNCc2c3c(nn2C)CCOC3)c1 ZINC000921740514 713859410 /nfs/dbraw/zinc/85/94/10/713859410.db2.gz LORLYZVISCJEBL-UHFFFAOYSA-N 0 3 303.362 1.497 20 10 DDCDHN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)C1CNC1 ZINC000923584121 714416777 /nfs/dbraw/zinc/41/67/77/714416777.db2.gz RRJKZWOKLWTNNA-UHFFFAOYSA-N 0 3 323.462 1.410 20 10 DDCDHN NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](NCCF)C2)cc1 ZINC001019854232 736935194 /nfs/dbraw/zinc/93/51/94/736935194.db2.gz RVWJHFWFJZKHMT-LBPRGKRZSA-N 0 3 307.329 1.623 20 10 DDCDHN CS(=O)(=O)CC1(CC[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000692819137 738036505 /nfs/dbraw/zinc/03/65/05/738036505.db2.gz KSMUQVOQWTWXHB-UHFFFAOYSA-N 0 3 301.383 1.836 20 10 DDCDHN O=S(=O)(CC1CC1)NC1CCN(Cc2ccccc2O)CC1 ZINC001188996314 744806290 /nfs/dbraw/zinc/80/62/90/744806290.db2.gz LPJFWKVUVQBBNM-UHFFFAOYSA-N 0 3 324.446 1.686 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c([O-])c1 ZINC000768893462 881366125 /nfs/dbraw/zinc/36/61/25/881366125.db2.gz QXIJFVRAKRBXAK-HNNXBMFYSA-N 0 3 306.406 1.697 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c([O-])c1 ZINC000768893462 881366146 /nfs/dbraw/zinc/36/61/46/881366146.db2.gz QXIJFVRAKRBXAK-HNNXBMFYSA-N 0 3 306.406 1.697 20 10 DDCDHN COc1cc(CN2C[C@H]3CC[C@@H](C2)C3=O)cc(CN(C)C)c1O ZINC001139258786 860338416 /nfs/dbraw/zinc/33/84/16/860338416.db2.gz WGFIOHYEJTXZGD-OKILXGFUSA-N 0 3 318.417 1.873 20 10 DDCDHN COc1cc(CN2CCO[C@@H](C(C)=O)C2)cc(CN(C)C)c1O ZINC001139260264 860341129 /nfs/dbraw/zinc/34/11/29/860341129.db2.gz JKZWSEREISYHOQ-MRXNPFEDSA-N 0 3 322.405 1.252 20 10 DDCDHN COC(=O)CC1CN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001139409610 860391212 /nfs/dbraw/zinc/39/12/12/860391212.db2.gz NFKRXOIVKHZMDX-UHFFFAOYSA-N 0 3 317.433 1.433 20 10 DDCDHN Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2cc(F)ccc2[O-])C3)n1 ZINC001140053959 860565138 /nfs/dbraw/zinc/56/51/38/860565138.db2.gz GLMPYDPPCYEPHY-MLGOLLRUSA-N 0 3 319.336 1.623 20 10 DDCDHN Cc1noc([C@]23COC[C@H]2C[N@@H+](Cc2cc(F)ccc2[O-])C3)n1 ZINC001140053959 860565151 /nfs/dbraw/zinc/56/51/51/860565151.db2.gz GLMPYDPPCYEPHY-MLGOLLRUSA-N 0 3 319.336 1.623 20 10 DDCDHN CCN1CCN(c2ccc(CN3C[C@H](F)C[C@H]3CO)cc2)CC1 ZINC001140302000 860615568 /nfs/dbraw/zinc/61/55/68/860615568.db2.gz HCISMJPPVVZHQV-AEFFLSMTSA-N 0 3 321.440 1.733 20 10 DDCDHN CCNC(=O)CO[C@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141160957 860798799 /nfs/dbraw/zinc/79/87/99/860798799.db2.gz KXKLYSHIHDZAJF-AWEZNQCLSA-N 0 3 308.378 1.215 20 10 DDCDHN CC[C@@H](F)CNCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153047281 863677346 /nfs/dbraw/zinc/67/73/46/863677346.db2.gz AALJJJFVUHNETC-LLVKDONJSA-N 0 3 309.345 1.917 20 10 DDCDHN CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@H]1O ZINC001203556158 870639568 /nfs/dbraw/zinc/63/95/68/870639568.db2.gz LIZQYSIMTWLLRP-UKRRQHHQSA-N 0 3 322.405 1.852 20 10 DDCDHN CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@H]1O ZINC001203556158 870639572 /nfs/dbraw/zinc/63/95/72/870639572.db2.gz LIZQYSIMTWLLRP-UKRRQHHQSA-N 0 3 322.405 1.852 20 10 DDCDHN COc1cccc(CN2CCC[C@@H](NC(=O)CN(C)C)C2)c1O ZINC001203601865 870664128 /nfs/dbraw/zinc/66/41/28/870664128.db2.gz OQOZTNTVOHLMKZ-CQSZACIVSA-N 0 3 321.421 1.043 20 10 DDCDHN COc1ccc(C[NH+]2CCC(N3CCOC3=O)CC2)c([O-])c1 ZINC001203628918 870681751 /nfs/dbraw/zinc/68/17/51/870681751.db2.gz KTRVRFZTYRRHHY-UHFFFAOYSA-N 0 3 306.362 1.817 20 10 DDCDHN COc1ccc(O)c(CN2CC[C@@H](Oc3ncc(F)cn3)C2)c1 ZINC001203683976 870711100 /nfs/dbraw/zinc/71/11/00/870711100.db2.gz HMFYIIPWJYMIKC-CQSZACIVSA-N 0 3 319.336 1.983 20 10 DDCDHN COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1C(=O)OC ZINC001352109361 876602344 /nfs/dbraw/zinc/60/23/44/876602344.db2.gz IQZOKDQHEJREDD-HUUCEWRRSA-N 0 3 320.389 1.147 20 10 DDCDHN Nc1ccc(N(Cc2ccccc2)C(=O)[C@H]2CNCCN2)cc1 ZINC001218954889 877831869 /nfs/dbraw/zinc/83/18/69/877831869.db2.gz GVJHLSVDCAHIFO-QGZVFWFLSA-N 0 3 310.401 1.363 20 10 DDCDHN COc1ccc(N2CC[C@H](NC[C@H](O)C(F)(F)F)C2)cc1 ZINC001356621593 879136482 /nfs/dbraw/zinc/13/64/82/879136482.db2.gz KNYSFXFDKZFVEV-GWCFXTLKSA-N 0 3 304.312 1.787 20 10 DDCDHN Cc1cc([O-])c(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1Cl ZINC001222507449 880523453 /nfs/dbraw/zinc/52/34/53/880523453.db2.gz WHXJTYXMHUQCFO-GJZGRUSLSA-N 0 3 309.841 1.880 20 10 DDCDHN CC(C)C(=O)N[C@@H]1[C@H]2CN(Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233484670 887015076 /nfs/dbraw/zinc/01/50/76/887015076.db2.gz SRZDLWLCZOSKTF-HBYGRHMLSA-N 0 3 306.362 1.006 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)c([O-])c1 ZINC001249172095 893849444 /nfs/dbraw/zinc/84/94/44/893849444.db2.gz IWTMBOPWPQQJGC-KRWDZBQOSA-N 0 3 307.390 1.845 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@](C)(O)CC2)c([O-])c1 ZINC001249172095 893849469 /nfs/dbraw/zinc/84/94/69/893849469.db2.gz IWTMBOPWPQQJGC-KRWDZBQOSA-N 0 3 307.390 1.845 20 10 DDCDHN COC(=O)Cc1ccc(C[NH+]2CCC(NC(C)=O)CC2)c([O-])c1 ZINC001249172171 893850099 /nfs/dbraw/zinc/85/00/99/893850099.db2.gz JNUYFOYUDZFKPW-UHFFFAOYSA-N 0 3 320.389 1.208 20 10 DDCDHN CCC[C@H](O)CN1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001252790119 895461343 /nfs/dbraw/zinc/46/13/43/895461343.db2.gz UTLMGQXIPSNYEG-KRWDZBQOSA-N 0 3 322.449 1.995 20 10 DDCDHN CN(C)c1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1F ZINC000367460655 282289877 /nfs/dbraw/zinc/28/98/77/282289877.db2.gz GOQWMIGAHZORFO-ROUUACIJSA-N 0 3 321.440 1.923 20 10 DDCDHN CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000236885382 202052622 /nfs/dbraw/zinc/05/26/22/202052622.db2.gz QXXHQJHZQZPZFN-PBHICJAKSA-N 0 3 319.449 1.855 20 10 DDCDHN CS(=O)(=O)C1(C[NH2+]Cc2cc(F)ccc2[O-])CCCC1 ZINC000289213849 131366435 /nfs/dbraw/zinc/36/64/35/131366435.db2.gz CCHXPHIEYZKGHV-UHFFFAOYSA-N 0 3 301.383 1.978 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CN(C)CCN2C)c1[O-] ZINC000228674158 407649539 /nfs/dbraw/zinc/64/95/39/407649539.db2.gz XKQHFMZKALCGIF-ZDUSSCGKSA-N 0 3 313.829 1.390 20 10 DDCDHN COc1cccc(CNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1O ZINC000268130319 407903232 /nfs/dbraw/zinc/90/32/32/407903232.db2.gz IDZRPQMPHYUDEP-BXUZGUMPSA-N 0 3 319.405 1.683 20 10 DDCDHN CCN(CC(=O)NCc1ccc(N(C)C)cc1)CC(C)(C)O ZINC000270738999 408660641 /nfs/dbraw/zinc/66/06/41/408660641.db2.gz PTYQVYMJOGUYNL-UHFFFAOYSA-N 0 3 307.438 1.462 20 10 DDCDHN CC[C@@H](CO)N1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000292760997 409041114 /nfs/dbraw/zinc/04/11/14/409041114.db2.gz IVZXGTKLIGSNDN-KRWDZBQOSA-N 0 3 305.466 1.950 20 10 DDCDHN COc1cc([O-])c(C[NH2+]CCCc2cnn(C)n2)cc1OC ZINC000293633067 409151222 /nfs/dbraw/zinc/15/12/22/409151222.db2.gz LOKZCOHGWZVNAR-UHFFFAOYSA-N 0 3 306.366 1.260 20 10 DDCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c([O-])c1 ZINC000293637052 409152511 /nfs/dbraw/zinc/15/25/11/409152511.db2.gz HUZUGJNMWHRQFS-ZDUSSCGKSA-N 0 3 306.406 1.942 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1 ZINC000289665111 409283796 /nfs/dbraw/zinc/28/37/96/409283796.db2.gz NJGZDAIYFSSXLT-HIFRSBDPSA-N 0 3 306.406 1.696 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1 ZINC000289665111 409283798 /nfs/dbraw/zinc/28/37/98/409283798.db2.gz NJGZDAIYFSSXLT-HIFRSBDPSA-N 0 3 306.406 1.696 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@H](C)NC3CC3)CC2)cc1F ZINC000295228405 409386342 /nfs/dbraw/zinc/38/63/42/409386342.db2.gz RPQUJQJYGYRSNA-LBPRGKRZSA-N 0 3 321.396 1.623 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000296514641 409596650 /nfs/dbraw/zinc/59/66/50/409596650.db2.gz PQSOGJSAXPCAEB-GXSJLCMTSA-N 0 3 304.387 1.510 20 10 DDCDHN COc1ccc(O)c(CN[C@@H]2CCCc3c2cnn3CCO)c1 ZINC000320190638 409902929 /nfs/dbraw/zinc/90/29/29/409902929.db2.gz PGHPGCQZTGAQQU-OAHLLOKOSA-N 0 3 317.389 1.757 20 10 DDCDHN CNC(=O)[C@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC000180582280 418519506 /nfs/dbraw/zinc/51/95/06/418519506.db2.gz RPNLRONBTJPEAN-MRXNPFEDSA-N 0 3 300.358 1.492 20 10 DDCDHN CCOc1ccc(O)c(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1 ZINC000377837274 418716164 /nfs/dbraw/zinc/71/61/64/418716164.db2.gz KUDMPHAXGLCNII-NJZAAPMLSA-N 0 3 304.390 1.890 20 10 DDCDHN CCOc1cccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000378346025 418721604 /nfs/dbraw/zinc/72/16/04/418721604.db2.gz CCVUGLVFWMVDCN-HOTGVXAUSA-N 0 3 320.433 1.822 20 10 DDCDHN Cc1ccc([O-])c(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1 ZINC000371333895 418779875 /nfs/dbraw/zinc/77/98/75/418779875.db2.gz WTTHRMRCHMWQTR-KRWDZBQOSA-N 0 3 317.389 1.511 20 10 DDCDHN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000369048699 418728184 /nfs/dbraw/zinc/72/81/84/418728184.db2.gz WVQSPMGJMDEIAE-LSDHHAIUSA-N 0 3 319.405 1.397 20 10 DDCDHN COC(=O)CN1CCCN([C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000368976230 418728240 /nfs/dbraw/zinc/72/82/40/418728240.db2.gz UWJDZGSEASAAKY-ZDUSSCGKSA-N 0 3 322.405 1.643 20 10 DDCDHN COc1cccc(CN2CC[C@@H](NC(=O)C3CCC3)C2)c1O ZINC000371383544 418788343 /nfs/dbraw/zinc/78/83/43/418788343.db2.gz ONUVQGLERWSWTN-CQSZACIVSA-N 0 3 304.390 1.891 20 10 DDCDHN CN1CCc2cc(CNC(=O)NC3CCN(C)CC3)ccc21 ZINC000372490006 418877091 /nfs/dbraw/zinc/87/70/91/418877091.db2.gz IWBZWHVZMDNDSD-UHFFFAOYSA-N 0 3 302.422 1.572 20 10 DDCDHN Cc1cccc(CN2CCN(c3ccc(=O)[nH]n3)CC2)c1O ZINC000372982339 418918239 /nfs/dbraw/zinc/91/82/39/418918239.db2.gz ZFWVRWLZOJDILG-UHFFFAOYSA-N 0 3 300.362 1.518 20 10 DDCDHN CCOc1cccc(CN[C@@H](CC)CNS(C)(=O)=O)c1O ZINC000295107953 276380520 /nfs/dbraw/zinc/38/05/20/276380520.db2.gz UPXULTMFFGHXPN-LBPRGKRZSA-N 0 3 316.423 1.208 20 10 DDCDHN CCOc1cccc(C[NH2+][C@@H](CC)CNS(C)(=O)=O)c1[O-] ZINC000295107953 276380522 /nfs/dbraw/zinc/38/05/22/276380522.db2.gz UPXULTMFFGHXPN-LBPRGKRZSA-N 0 3 316.423 1.208 20 10 DDCDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)[C@@H]2C1 ZINC000272687237 536460250 /nfs/dbraw/zinc/46/02/50/536460250.db2.gz SZECGQBPTZBDIL-KBUVRSHFSA-N 0 3 302.374 1.664 20 10 DDCDHN CN(C)c1ccc(CN[C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000747622706 700078204 /nfs/dbraw/zinc/07/82/04/700078204.db2.gz VIXGDBYVKBAISK-QGZVFWFLSA-N 0 3 317.433 1.622 20 10 DDCDHN C[C@@H]1CN(CCN(C)Cc2cc3c(cc2O)OCO3)C[C@H](C)O1 ZINC000193400863 697663341 /nfs/dbraw/zinc/66/33/41/697663341.db2.gz VPNCOYYXVGEXPJ-BETUJISGSA-N 0 3 322.405 1.662 20 10 DDCDHN CCNS(=O)(=O)CCN[C@H](CC)c1ccc(N(C)C)cc1 ZINC000772979242 697700734 /nfs/dbraw/zinc/70/07/34/697700734.db2.gz PQUADUXXHQNIIR-OAHLLOKOSA-N 0 3 313.467 1.733 20 10 DDCDHN C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccccc1[O-] ZINC000783510483 698845314 /nfs/dbraw/zinc/84/53/14/698845314.db2.gz OUCYDDUPVYSWOS-CYBMUJFWSA-N 0 3 305.422 1.595 20 10 DDCDHN O=C1NC2(CO1)CCN(Cc1cc3c(cc1O)OCO3)CC2 ZINC000784021306 698903350 /nfs/dbraw/zinc/90/33/50/698903350.db2.gz OOELINTXUAWMPB-UHFFFAOYSA-N 0 3 306.318 1.195 20 10 DDCDHN COC1CC[NH+](C(C)(C)CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000790667437 699590896 /nfs/dbraw/zinc/59/08/96/699590896.db2.gz APCXCPVPTFKSKP-UHFFFAOYSA-N 0 3 322.405 1.717 20 10 DDCDHN COc1ccc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)c([O-])c1 ZINC000793388086 699753221 /nfs/dbraw/zinc/75/32/21/699753221.db2.gz LIARJVGNFSPICT-NSHDSACASA-N 0 3 313.419 1.704 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCN2C)c2c1c(F)ccc2[O-] ZINC000756568453 700629727 /nfs/dbraw/zinc/62/97/27/700629727.db2.gz FKECZZXNTPCSHU-BZPMIXESSA-N 0 3 307.413 1.915 20 10 DDCDHN CC[C@@H](NCC(=O)N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000765416386 701010888 /nfs/dbraw/zinc/01/08/88/701010888.db2.gz HPGIEOWAZKGBMR-QGZVFWFLSA-N 0 3 318.465 1.567 20 10 DDCDHN COC(=O)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768443517 701177656 /nfs/dbraw/zinc/17/76/56/701177656.db2.gz SCESZSHCHLEHEB-OAHLLOKOSA-N 0 3 321.373 1.593 20 10 DDCDHN Cn1ccnc1[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464867 701180400 /nfs/dbraw/zinc/18/04/00/701180400.db2.gz FEKCJEWHHXIPCN-XHDPSFHLSA-N 0 3 315.373 1.541 20 10 DDCDHN Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464867 701180402 /nfs/dbraw/zinc/18/04/02/701180402.db2.gz FEKCJEWHHXIPCN-XHDPSFHLSA-N 0 3 315.373 1.541 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC([C@@H](O)C(=O)OC)CC2)c([O-])c1 ZINC000770332056 701274549 /nfs/dbraw/zinc/27/45/49/701274549.db2.gz QUWKCQOROQIWPU-MRXNPFEDSA-N 0 3 323.389 1.537 20 10 DDCDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841041707 702320140 /nfs/dbraw/zinc/32/01/40/702320140.db2.gz AMTNWGSQJKDMDW-AWEZNQCLSA-N 0 3 304.394 1.198 20 10 DDCDHN CCOC(=O)[C@@H]1NCC[C@H]1NCc1ccc(N(C)C)cc1C ZINC000817893684 702510880 /nfs/dbraw/zinc/51/08/80/702510880.db2.gz GNWBIFLCUSVMJT-HZPDHXFCSA-N 0 3 305.422 1.444 20 10 DDCDHN CN(C)c1n[nH]c(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000818214520 702608788 /nfs/dbraw/zinc/60/87/88/702608788.db2.gz BTRDRONKJBBFLK-UHFFFAOYSA-N 0 3 315.425 1.235 20 10 DDCDHN CN(C)c1nc(NCc2ccc(N3CCN(C)CC3)cc2)n[nH]1 ZINC000818214520 702608790 /nfs/dbraw/zinc/60/87/90/702608790.db2.gz BTRDRONKJBBFLK-UHFFFAOYSA-N 0 3 315.425 1.235 20 10 DDCDHN COc1cc(Br)cc(C[NH2+][C@H](CO)CCF)c1[O-] ZINC000846096645 703237621 /nfs/dbraw/zinc/23/76/21/703237621.db2.gz JJKJTSYJRWYPHY-JTQLQIEISA-N 0 3 322.174 1.973 20 10 DDCDHN COc1ccc(N2CC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)cc1 ZINC000850489621 703733563 /nfs/dbraw/zinc/73/35/63/703733563.db2.gz WDZGBRVAMYKROX-CHWSQXEVSA-N 0 3 312.435 1.297 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@H]2C[C@H](O)C23CCC3)cc1 ZINC000852584399 704082136 /nfs/dbraw/zinc/08/21/36/704082136.db2.gz MOIHAXGYLPSQDQ-HOTGVXAUSA-N 0 3 317.433 1.262 20 10 DDCDHN COc1cc(O)c(CN[C@@H]2CCN(C3CCC3)C2=O)cc1OC ZINC000862551307 705731636 /nfs/dbraw/zinc/73/16/36/705731636.db2.gz LXTAATJGDQLADG-CYBMUJFWSA-N 0 3 320.389 1.652 20 10 DDCDHN Cc1cccc(O)c1CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000876790229 705878128 /nfs/dbraw/zinc/87/81/28/705878128.db2.gz WTXMCDQYABPSAX-INIZCTEOSA-N 0 3 317.433 1.439 20 10 DDCDHN CCN1C(=O)[C@@H]2CN(Cc3ccc(C)cc3O)CCN2C1=O ZINC000876803733 705884081 /nfs/dbraw/zinc/88/40/81/705884081.db2.gz KCWRXDHPEZGXRK-ZDUSSCGKSA-N 0 3 303.362 1.169 20 10 DDCDHN COc1cc(Cl)cc(CN(C)C[C@@H]2COCCO2)c1O ZINC000827141204 705938243 /nfs/dbraw/zinc/93/82/43/705938243.db2.gz QAAOIRIUPZEVMB-GFCCVEGCSA-N 0 3 301.770 1.901 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@@H]2COCCO2)c1[O-] ZINC000827141204 705938247 /nfs/dbraw/zinc/93/82/47/705938247.db2.gz QAAOIRIUPZEVMB-GFCCVEGCSA-N 0 3 301.770 1.901 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2COCCO2)c1[O-] ZINC000827141204 705938249 /nfs/dbraw/zinc/93/82/49/705938249.db2.gz QAAOIRIUPZEVMB-GFCCVEGCSA-N 0 3 301.770 1.901 20 10 DDCDHN Cn1ccnc1N1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000827891150 706082962 /nfs/dbraw/zinc/08/29/62/706082962.db2.gz BIRNGFSKKXRRQF-UHFFFAOYSA-N 0 3 316.361 1.177 20 10 DDCDHN CCN(Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCNC1=O ZINC000877498452 706123752 /nfs/dbraw/zinc/12/37/52/706123752.db2.gz DQEZQBYCXOQGRG-QGZVFWFLSA-N 0 3 317.433 1.358 20 10 DDCDHN [O-]c1ccccc1C[N@H+](CCn1cnnn1)C[C@@H]1CCCO1 ZINC000878240617 706335665 /nfs/dbraw/zinc/33/56/65/706335665.db2.gz JTNWHWIICPTRJE-AWEZNQCLSA-N 0 3 303.366 1.060 20 10 DDCDHN [O-]c1ccccc1C[N@@H+](CCn1cnnn1)C[C@@H]1CCCO1 ZINC000878240617 706335668 /nfs/dbraw/zinc/33/56/68/706335668.db2.gz JTNWHWIICPTRJE-AWEZNQCLSA-N 0 3 303.366 1.060 20 10 DDCDHN O=C(C[C@@H]1CNCCO1)NCCCSc1nccs1 ZINC000829527968 706350613 /nfs/dbraw/zinc/35/06/13/706350613.db2.gz IMSFQCCANZDPOI-SNVBAGLBSA-N 0 3 301.437 1.120 20 10 DDCDHN CC[C@@H]([NH2+]C[C@H](O)CS(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000927021041 712931410 /nfs/dbraw/zinc/93/14/10/712931410.db2.gz ACOYYCPKYLZDHY-WCQYABFASA-N 0 3 301.408 1.147 20 10 DDCDHN Cc1cc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)ccc1N(C)C ZINC000839063562 708020699 /nfs/dbraw/zinc/02/06/99/708020699.db2.gz PNAFZMBBUPTIQQ-HOCLYGCPSA-N 0 3 303.406 1.150 20 10 DDCDHN CC[C@H](NCc1nnc2c(=O)[nH]ccn12)c1ccc(F)cc1O ZINC000886704596 708818282 /nfs/dbraw/zinc/81/82/82/708818282.db2.gz JVULTAYQBLLYGP-NSHDSACASA-N 0 3 317.324 1.503 20 10 DDCDHN CC(C)ONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899097932 708982611 /nfs/dbraw/zinc/98/26/11/708982611.db2.gz JEHUGSNACLOACV-HNNXBMFYSA-N 0 3 308.426 1.995 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)CC2OCCO2)N(C)C)cc1 ZINC000891249361 710141230 /nfs/dbraw/zinc/14/12/30/710141230.db2.gz RMSNNUSKCQTDLO-OAHLLOKOSA-N 0 3 321.421 1.235 20 10 DDCDHN CCO[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251191 710141877 /nfs/dbraw/zinc/14/18/77/710141877.db2.gz ATDCEJZWIHMASI-BBRMVZONSA-N 0 3 307.438 1.897 20 10 DDCDHN COC(=O)c1c(CNCCOCCO)c2cc(F)ccc2n1C ZINC000894146146 710985312 /nfs/dbraw/zinc/98/53/12/710985312.db2.gz NKZDJFUEFSWWFO-UHFFFAOYSA-N 0 3 324.352 1.203 20 10 DDCDHN Cc1ccc(C[NH2+]CC2(O)CN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000895207586 711453831 /nfs/dbraw/zinc/45/38/31/711453831.db2.gz SPUGJDAUTVDSHM-UHFFFAOYSA-N 0 3 322.405 1.772 20 10 DDCDHN COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203621723 744264414 /nfs/dbraw/zinc/26/44/14/744264414.db2.gz HOZSGUAHYOGMKS-LRDDRELGSA-N 0 3 307.346 1.022 20 10 DDCDHN COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203621723 744264418 /nfs/dbraw/zinc/26/44/18/744264418.db2.gz HOZSGUAHYOGMKS-LRDDRELGSA-N 0 3 307.346 1.022 20 10 DDCDHN CCOc1ccc(CN2CCN(Cc3nc[nH]n3)CC2)c(O)c1 ZINC001119451042 781458562 /nfs/dbraw/zinc/45/85/62/781458562.db2.gz UFYLCRMDDJHCSJ-UHFFFAOYSA-N 0 3 317.393 1.227 20 10 DDCDHN COc1ccc(CNC2(CNC(=O)c3ccn[nH]3)CC2)cc1C ZINC001269379552 841582201 /nfs/dbraw/zinc/58/22/01/841582201.db2.gz LOKLCNRVVVAJID-UHFFFAOYSA-N 0 3 314.389 1.779 20 10 DDCDHN CN1CC2(CCC1=O)CCN(Cc1ccc(O)c(O)c1)CC2 ZINC001272903807 847615800 /nfs/dbraw/zinc/61/58/00/847615800.db2.gz YQJONNHNFCDETP-UHFFFAOYSA-N 0 3 304.390 1.932 20 10 DDCDHN CCN1CCN(c2ccc(CN3CCO[C@H](CO)C3)cc2)CC1 ZINC001140302010 860614616 /nfs/dbraw/zinc/61/46/16/860614616.db2.gz HFJHBGKTZCDZPL-SFHVURJKSA-N 0 3 319.449 1.022 20 10 DDCDHN CCN1CCN(c2ccc(CN3C[C@H](F)[C@@H](OC)C3)cc2)CC1 ZINC001140302054 860614822 /nfs/dbraw/zinc/61/48/22/860614822.db2.gz IZCWFOFKQQQHAJ-ROUUACIJSA-N 0 3 321.440 1.997 20 10 DDCDHN CCN1CCN(c2ccc(CN3CCO[C@@H]4C[C@@H]43)cc2)CC1 ZINC001140309306 860616596 /nfs/dbraw/zinc/61/65/96/860616596.db2.gz APOYIIHMOGMWJH-ZWKOTPCHSA-N 0 3 301.434 1.802 20 10 DDCDHN Cc1nccnc1O[C@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141162922 860798904 /nfs/dbraw/zinc/79/89/04/860798904.db2.gz KZXUIEZHMHZNJD-AWEZNQCLSA-N 0 3 301.346 1.850 20 10 DDCDHN CN1CCN(c2cccc(NCc3ccc(O)c(O)c3)n2)CC1 ZINC001158995531 865024190 /nfs/dbraw/zinc/02/41/90/865024190.db2.gz IXQVXHWYWCUVNL-UHFFFAOYSA-N 0 3 314.389 1.857 20 10 DDCDHN CCOc1ccc(N2CCN(C[C@H]3CNC(=O)C3)CC2)cc1 ZINC001333586696 866861582 /nfs/dbraw/zinc/86/15/82/866861582.db2.gz KUVCIJITRNNVSI-CQSZACIVSA-N 0 3 303.406 1.343 20 10 DDCDHN COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001203635038 870688477 /nfs/dbraw/zinc/68/84/77/870688477.db2.gz HEKOPGNENZRYOX-IUODEOHRSA-N 0 3 304.390 1.844 20 10 DDCDHN COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001203635038 870688488 /nfs/dbraw/zinc/68/84/88/870688488.db2.gz HEKOPGNENZRYOX-IUODEOHRSA-N 0 3 304.390 1.844 20 10 DDCDHN Oc1ccc(CN2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)cc1O ZINC001203876378 870810999 /nfs/dbraw/zinc/81/09/99/870810999.db2.gz CIGFUFKERUOBRB-OKILXGFUSA-N 0 3 312.373 1.456 20 10 DDCDHN O=C(Nc1nnco1)[C@H]1CC12CN(Cc1ccccc1O)C2 ZINC001277442185 884298843 /nfs/dbraw/zinc/29/88/43/884298843.db2.gz SLLWZKLKNDFCNN-LLVKDONJSA-N 0 3 300.318 1.236 20 10 DDCDHN O=C(NCC1COC1)[C@@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2 ZINC001277483751 885179789 /nfs/dbraw/zinc/17/97/89/885179789.db2.gz AMZNSDSOYCMIJE-ZDUSSCGKSA-N 0 3 320.364 1.116 20 10 DDCDHN COc1cc(CN2CC[C@H](Oc3cnccn3)C2)c(O)cc1O ZINC001231640199 885777796 /nfs/dbraw/zinc/77/77/96/885777796.db2.gz QUUNBZHAJCBJTG-LBPRGKRZSA-N 0 3 317.345 1.550 20 10 DDCDHN COCCCCN1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233487406 887021601 /nfs/dbraw/zinc/02/16/01/887021601.db2.gz BZPUOCKQPHWXRT-UHFFFAOYSA-N 0 3 310.394 1.348 20 10 DDCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001237053773 889485230 /nfs/dbraw/zinc/48/52/30/889485230.db2.gz QHDGFKORWRVTSP-GWCFXTLKSA-N 0 3 321.295 1.118 20 10 DDCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001237053773 889485234 /nfs/dbraw/zinc/48/52/34/889485234.db2.gz QHDGFKORWRVTSP-GWCFXTLKSA-N 0 3 321.295 1.118 20 10 DDCDHN NC(=O)[C@@H]1CCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237123222 889511850 /nfs/dbraw/zinc/51/18/50/889511850.db2.gz NWLYZDLLJIKQNL-MRVPVSSYSA-N 0 3 304.268 1.598 20 10 DDCDHN NC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237123222 889511862 /nfs/dbraw/zinc/51/18/62/889511862.db2.gz NWLYZDLLJIKQNL-MRVPVSSYSA-N 0 3 304.268 1.598 20 10 DDCDHN NC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)C1 ZINC001237123222 889511869 /nfs/dbraw/zinc/51/18/69/889511869.db2.gz NWLYZDLLJIKQNL-MRVPVSSYSA-N 0 3 304.268 1.598 20 10 DDCDHN CN1C[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@@H]2C1=O ZINC001237137721 889513954 /nfs/dbraw/zinc/51/39/54/889513954.db2.gz RZRWFWVGMROFQS-PWSUYJOCSA-N 0 3 314.307 1.931 20 10 DDCDHN CN1C[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3[O-])C[C@@H]2C1=O ZINC001237137721 889513966 /nfs/dbraw/zinc/51/39/66/889513966.db2.gz RZRWFWVGMROFQS-PWSUYJOCSA-N 0 3 314.307 1.931 20 10 DDCDHN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC001292122897 913617633 /nfs/dbraw/zinc/61/76/33/913617633.db2.gz XYNJQQSZBCGHCP-GFCCVEGCSA-N 0 3 301.350 1.816 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(C)=O)C2)c([O-])c1 ZINC001249216467 893871309 /nfs/dbraw/zinc/87/13/09/893871309.db2.gz AACREDQXJDOVJU-HNNXBMFYSA-N 0 3 320.389 1.160 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H](N(C)C(C)=O)C2)c([O-])c1 ZINC001249216467 893871322 /nfs/dbraw/zinc/87/13/22/893871322.db2.gz AACREDQXJDOVJU-HNNXBMFYSA-N 0 3 320.389 1.160 20 10 DDCDHN C[C@@H](NC[C@@]1(O)CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090850265 353799056 /nfs/dbraw/zinc/79/90/56/353799056.db2.gz VOBNQXIVYFAEQN-DYVFJYSZSA-N 0 3 324.396 1.464 20 10 DDCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)c([O-])c1 ZINC000284098284 131048844 /nfs/dbraw/zinc/04/88/44/131048844.db2.gz MRBBVRXYDWICCC-CABCVRRESA-N 0 3 319.449 1.999 20 10 DDCDHN CN(C)c1ccc(CNC[C@@H]2CN(C3CC3)CCO2)cc1F ZINC000113338947 407495888 /nfs/dbraw/zinc/49/58/88/407495888.db2.gz ADRSAMLNXZSCQO-OAHLLOKOSA-N 0 3 307.413 1.845 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+][C@H](CO)Cc1ccccc1)OCO2 ZINC000131488563 407736712 /nfs/dbraw/zinc/73/67/12/407736712.db2.gz HMLFHJUOYGQLRY-AWEZNQCLSA-N 0 3 301.342 1.814 20 10 DDCDHN CC1(C)CN(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000171766569 407765434 /nfs/dbraw/zinc/76/54/34/407765434.db2.gz LCMVCQRNXSKTEU-UHFFFAOYSA-N 0 3 308.378 1.321 20 10 DDCDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccccc2O)CC1 ZINC000179583441 407811177 /nfs/dbraw/zinc/81/11/77/407811177.db2.gz JDDHLRBVRJGIHX-HNNXBMFYSA-N 0 3 303.406 1.131 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](C)[C@H]1C)cc2=O ZINC000248324824 408548446 /nfs/dbraw/zinc/54/84/46/408548446.db2.gz AXBNHDYPKPHJCX-GHMZBOCLSA-N 0 3 318.377 1.842 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](C)[C@@H]1C)cc2=O ZINC000177909204 408736457 /nfs/dbraw/zinc/73/64/57/408736457.db2.gz AXBNHDYPKPHJCX-MNOVXSKESA-N 0 3 318.377 1.842 20 10 DDCDHN COC(=O)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000276483715 408867227 /nfs/dbraw/zinc/86/72/27/408867227.db2.gz OSZMSYVWWLBJGQ-CMPLNLGQSA-N 0 3 307.346 1.752 20 10 DDCDHN CCCCN(Cc1ccccc1O)C(=O)C(C)S(C)(=O)=O ZINC000282527731 409057183 /nfs/dbraw/zinc/05/71/83/409057183.db2.gz QDBXOBRWJYCOGL-GFCCVEGCSA-N 0 3 313.419 1.954 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000278378133 409079110 /nfs/dbraw/zinc/07/91/10/409079110.db2.gz DYRXEXHQXRZWLK-CYBMUJFWSA-N 0 3 306.406 1.916 20 10 DDCDHN CC[C@H](NCCS(=O)(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000290310442 409354929 /nfs/dbraw/zinc/35/49/29/409354929.db2.gz ZSJCBUHLUHYPNE-HNNXBMFYSA-N 0 3 313.467 1.685 20 10 DDCDHN CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296701460 409632001 /nfs/dbraw/zinc/63/20/01/409632001.db2.gz HRQXRCZKYCCSGR-WCQYABFASA-N 0 3 310.419 1.251 20 10 DDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@]1(N2CCOCC2)CCCOC1 ZINC000361053402 418573281 /nfs/dbraw/zinc/57/32/81/418573281.db2.gz RAATUAVELAUWAA-QGZVFWFLSA-N 0 3 324.396 1.502 20 10 DDCDHN Cn1cc(N2CC[C@H]([NH2+]Cc3cc4c(cc3[O-])OCO4)C2)cn1 ZINC000370905279 418749290 /nfs/dbraw/zinc/74/92/90/418749290.db2.gz OMPVHAPNEOQRBL-LBPRGKRZSA-N 0 3 316.361 1.223 20 10 DDCDHN CCOc1cccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1O ZINC000363263804 418763812 /nfs/dbraw/zinc/76/38/12/418763812.db2.gz BTXBIJJITZNADP-MRVWCRGKSA-N 0 3 304.390 1.890 20 10 DDCDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc2c(cc1O)OCO2 ZINC000371413425 418789798 /nfs/dbraw/zinc/78/97/98/418789798.db2.gz SFBCBPADRWCTGS-UHTWSYAYSA-N 0 3 318.373 1.739 20 10 DDCDHN Cc1cccc(CN2CCCN(CC(=O)NC(C)C)CC2)c1O ZINC000372953112 418916507 /nfs/dbraw/zinc/91/65/07/418916507.db2.gz LLSOMEVVQAMBKC-UHFFFAOYSA-N 0 3 319.449 1.733 20 10 DDCDHN Cc1cccc(C[N@H+]2CCCN(CC(=O)NC(C)C)CC2)c1[O-] ZINC000372953112 418916508 /nfs/dbraw/zinc/91/65/08/418916508.db2.gz LLSOMEVVQAMBKC-UHFFFAOYSA-N 0 3 319.449 1.733 20 10 DDCDHN Cc1cccc(C[N@@H+]2CCCN(CC(=O)NC(C)C)CC2)c1[O-] ZINC000372953112 418916510 /nfs/dbraw/zinc/91/65/10/418916510.db2.gz LLSOMEVVQAMBKC-UHFFFAOYSA-N 0 3 319.449 1.733 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000296549542 287862208 /nfs/dbraw/zinc/86/22/08/287862208.db2.gz RKLXCXZEZPZZLC-GXTWGEPZSA-N 0 3 313.467 1.731 20 10 DDCDHN CCOCc1cc(CNC[C@@H](O)[C@H]2CCCO2)ccc1OC ZINC000527759321 302981597 /nfs/dbraw/zinc/98/15/97/302981597.db2.gz SVBMRFVFNKZUGV-NVXWUHKLSA-N 0 3 309.406 1.861 20 10 DDCDHN CCCNC(=O)CNC1CCN(c2ccc(OC)cc2)CC1 ZINC000158323781 519879617 /nfs/dbraw/zinc/87/96/17/519879617.db2.gz HFMBJTDFVOKBEB-UHFFFAOYSA-N 0 3 305.422 1.780 20 10 DDCDHN C[C@H](Cn1cncn1)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000164114586 524802925 /nfs/dbraw/zinc/80/29/25/524802925.db2.gz LYMNADXSXSJIFE-HUUCEWRRSA-N 0 3 315.421 1.854 20 10 DDCDHN CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774479767 697884156 /nfs/dbraw/zinc/88/41/56/697884156.db2.gz UBNTUQARTYAWEV-NEPJUHHUSA-N 0 3 306.410 1.637 20 10 DDCDHN CC(C)CNC(=O)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775831777 698042313 /nfs/dbraw/zinc/04/23/13/698042313.db2.gz USIBIIPTQPHAQA-CYBMUJFWSA-N 0 3 320.437 1.885 20 10 DDCDHN CCN(CCO)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776239537 698086658 /nfs/dbraw/zinc/08/66/58/698086658.db2.gz UEWOBNHAHWIJHQ-CQSZACIVSA-N 0 3 322.453 1.427 20 10 DDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(n3ccnc3)CC1)[C@H](O)CO2 ZINC000768446533 701177220 /nfs/dbraw/zinc/17/72/20/701177220.db2.gz KUAWXOVHQLQQTN-MRXNPFEDSA-N 0 3 315.373 1.852 20 10 DDCDHN COC(=O)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768443516 701177316 /nfs/dbraw/zinc/17/73/16/701177316.db2.gz SCESZSHCHLEHEB-HNNXBMFYSA-N 0 3 321.373 1.593 20 10 DDCDHN COc1cccc(O)c1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000769326754 701241274 /nfs/dbraw/zinc/24/12/74/701241274.db2.gz HCPBFNNUXVRNCT-GDBMZVCRSA-N 0 3 306.406 1.432 20 10 DDCDHN O=C1NCCN1CCN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000808735988 701533482 /nfs/dbraw/zinc/53/34/82/701533482.db2.gz FCABHLCSPPBLOD-OAHLLOKOSA-N 0 3 319.405 1.398 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@]2(C)CO)cc1 ZINC000839556103 701734923 /nfs/dbraw/zinc/73/49/23/701734923.db2.gz HUXKHBKKAIDSJO-KRWDZBQOSA-N 0 3 305.422 1.216 20 10 DDCDHN CC[C@@H](CO)N1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840915450 702277884 /nfs/dbraw/zinc/27/78/84/702277884.db2.gz ASBTWNPGJYYXBE-KRWDZBQOSA-N 0 3 305.466 1.950 20 10 DDCDHN CCCN(C)CC(=O)N(CC(=O)OCC)Cc1ccccc1O ZINC000819696037 704160506 /nfs/dbraw/zinc/16/05/06/704160506.db2.gz IVAWGQQUNDYHQF-UHFFFAOYSA-N 0 3 322.405 1.626 20 10 DDCDHN O=C1OCCN1[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000853542241 704264457 /nfs/dbraw/zinc/26/44/57/704264457.db2.gz YMQVXVNCGVPSSZ-LLVKDONJSA-N 0 3 306.318 1.147 20 10 DDCDHN CC[C@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)N(C)C ZINC000855234200 704474383 /nfs/dbraw/zinc/47/43/83/704474383.db2.gz VDQBAUZJIDVLRA-CZUORRHYSA-N 0 3 305.422 1.730 20 10 DDCDHN C[C@@H]1C[N@H+](CCO)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000825336989 705649281 /nfs/dbraw/zinc/64/92/81/705649281.db2.gz BVSTXLQKIXOUJP-SNVBAGLBSA-N 0 3 302.777 1.683 20 10 DDCDHN C[C@@H]1C[N@@H+](CCO)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000825336989 705649284 /nfs/dbraw/zinc/64/92/84/705649284.db2.gz BVSTXLQKIXOUJP-SNVBAGLBSA-N 0 3 302.777 1.683 20 10 DDCDHN Cc1ccc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)c([O-])c1 ZINC000876637320 705796124 /nfs/dbraw/zinc/79/61/24/705796124.db2.gz VJKGWISYUXVUQO-MRXNPFEDSA-N 0 3 311.422 1.935 20 10 DDCDHN Cc1ccc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c([O-])c1 ZINC000876637320 705796127 /nfs/dbraw/zinc/79/61/27/705796127.db2.gz VJKGWISYUXVUQO-MRXNPFEDSA-N 0 3 311.422 1.935 20 10 DDCDHN CCN(CC)c1ccc(CN[C@@H]2CCO[C@@H]2C(=O)OC)cc1 ZINC000826967441 705901860 /nfs/dbraw/zinc/90/18/60/705901860.db2.gz SAGYJFOTVXUCEQ-CVEARBPZSA-N 0 3 306.406 1.953 20 10 DDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(N)CCOCC2)c1 ZINC000863541521 705952569 /nfs/dbraw/zinc/95/25/69/705952569.db2.gz NUHOAAITKSZMHG-LLVKDONJSA-N 0 3 308.378 1.337 20 10 DDCDHN CNC(=O)[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000877113875 705988148 /nfs/dbraw/zinc/98/81/48/705988148.db2.gz RAVBOOVOAONDMI-KRWDZBQOSA-N 0 3 319.449 1.508 20 10 DDCDHN COC(=O)C(C)(C)N1CCN(Cc2c(C)cccc2O)CC1 ZINC000877427755 706103386 /nfs/dbraw/zinc/10/33/86/706103386.db2.gz BABXFTQCYKFEAQ-UHFFFAOYSA-N 0 3 306.406 1.770 20 10 DDCDHN CCN(C)c1ccc([C@H](C)NC[C@H](O)CS(C)(=O)=O)cc1 ZINC000927032145 712933728 /nfs/dbraw/zinc/93/37/28/712933728.db2.gz PUZBZBDXORNXTD-WFASDCNBSA-N 0 3 314.451 1.199 20 10 DDCDHN CCCOc1ccc(CNCC(=O)N2CCN(C)CC2)cc1C ZINC000873024887 707699240 /nfs/dbraw/zinc/69/92/40/707699240.db2.gz DLYNSAWRLOPIQH-UHFFFAOYSA-N 0 3 319.449 1.647 20 10 DDCDHN CCOc1cccc(CNC2(C(=O)NCCOC)CC2)c1O ZINC000839192090 708034549 /nfs/dbraw/zinc/03/45/49/708034549.db2.gz IJDZZDXBTQJNIC-UHFFFAOYSA-N 0 3 308.378 1.176 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)CCOC)cc1F ZINC000884213529 708193293 /nfs/dbraw/zinc/19/32/93/708193293.db2.gz DSIVJSXYALQRKI-CQSZACIVSA-N 0 3 311.401 1.652 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)CC3CC3)C2)cc1 ZINC000884398262 708279890 /nfs/dbraw/zinc/27/98/90/708279890.db2.gz ZTFPASBYCDTMPV-BBRMVZONSA-N 0 3 303.406 1.518 20 10 DDCDHN C[C@@H]1C(=O)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C(=O)N1C ZINC000900184732 709318960 /nfs/dbraw/zinc/31/89/60/709318960.db2.gz FWUJXZHMKGMQQN-DOMZBBRYSA-N 0 3 318.421 1.638 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000894609814 711212543 /nfs/dbraw/zinc/21/25/43/711212543.db2.gz LVIAPBMZUBLIJV-UHFFFAOYSA-N 0 3 304.350 1.535 20 10 DDCDHN COc1cccc(O)c1CN1CCC(N2CN=NC2=O)CC1 ZINC000894609814 711212547 /nfs/dbraw/zinc/21/25/47/711212547.db2.gz LVIAPBMZUBLIJV-UHFFFAOYSA-N 0 3 304.350 1.535 20 10 DDCDHN C[C@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CN2CCC1CC2 ZINC000912375353 711299592 /nfs/dbraw/zinc/29/95/92/711299592.db2.gz FWBXCFGMDFDLLZ-IVZVJUQRSA-N 0 3 302.374 1.712 20 10 DDCDHN CN(C)c1ccc(CN[C@@H]2C(=O)NCC23CCOCC3)cc1 ZINC000895772499 711602985 /nfs/dbraw/zinc/60/29/85/711602985.db2.gz FYLXQZWJTLSLNT-OAHLLOKOSA-N 0 3 303.406 1.137 20 10 DDCDHN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCN(CCCO)C2)cc1 ZINC001016369612 756963101 /nfs/dbraw/zinc/96/31/01/756963101.db2.gz TVBKZPKDPNQVAQ-ZDUSSCGKSA-N 0 3 319.365 1.036 20 10 DDCDHN CCN1C[C@@H](NC(=O)c2cc(OC)nc(OC)c2)CC[C@H]1C ZINC001071644946 769782431 /nfs/dbraw/zinc/78/24/31/769782431.db2.gz DTGDMDNVWRXYBG-YPMHNXCESA-N 0 3 307.394 1.701 20 10 DDCDHN C[C@H](C(=O)N1CCCc2cc(O)c(O)cc2C1)N1CCCC1 ZINC001180576718 779814605 /nfs/dbraw/zinc/81/46/05/779814605.db2.gz APSOKXJWCWROKH-GFCCVEGCSA-N 0 3 304.390 1.857 20 10 DDCDHN C[N@@H+]1CCCC2(CCN(C(=O)c3cc(O)c([O-])c(O)c3)CC2)C1 ZINC001270070304 842268761 /nfs/dbraw/zinc/26/87/61/842268761.db2.gz XIMIAPQWRWUMKQ-UHFFFAOYSA-N 0 3 320.389 1.751 20 10 DDCDHN C[N@H+]1CCCC2(CCN(C(=O)c3cc(O)c([O-])c(O)c3)CC2)C1 ZINC001270070304 842268768 /nfs/dbraw/zinc/26/87/68/842268768.db2.gz XIMIAPQWRWUMKQ-UHFFFAOYSA-N 0 3 320.389 1.751 20 10 DDCDHN CN(C)c1ccc([C@H](O)C(=O)N2CCC3(CN(C)C3)CC2)cc1 ZINC001272778757 847415504 /nfs/dbraw/zinc/41/55/04/847415504.db2.gz AVJKFXJEVUKMIT-INIZCTEOSA-N 0 3 317.433 1.340 20 10 DDCDHN CC(=O)N(C)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138499733 860119017 /nfs/dbraw/zinc/11/90/17/860119017.db2.gz GSCOISSKNJYIQW-GOSISDBHSA-N 0 3 317.433 1.576 20 10 DDCDHN C[C@@]1(O)COCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138494990 860119561 /nfs/dbraw/zinc/11/95/61/860119561.db2.gz ANGDBBVHMNTJEE-KRWDZBQOSA-N 0 3 306.406 1.106 20 10 DDCDHN CN1CCN(c2ccc(CN3C[C@H](F)C[C@@H](CO)C3)cc2)CC1 ZINC001139408645 860390342 /nfs/dbraw/zinc/39/03/42/860390342.db2.gz OGUQRCQIDOINLR-IAGOWNOFSA-N 0 3 321.440 1.591 20 10 DDCDHN Cc1nc(CCN(C)Cc2ccc3c(c2)OCCN3C)no1 ZINC001141139912 860794119 /nfs/dbraw/zinc/79/41/19/860794119.db2.gz DSSIWMHPWXAVSO-UHFFFAOYSA-N 0 3 302.378 1.881 20 10 DDCDHN COC(=O)C[C@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141146084 860794852 /nfs/dbraw/zinc/79/48/52/860794852.db2.gz JYEMJRLGLUDYPV-CQSZACIVSA-N 0 3 304.390 1.900 20 10 DDCDHN CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2cc(O)ccc2O)O1 ZINC001141158819 860798290 /nfs/dbraw/zinc/79/82/90/860798290.db2.gz ODRDIBUIXVCBAK-BMFZPTHFSA-N 0 3 320.389 1.354 20 10 DDCDHN N[C@@H](CC1CCC1)C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924452 866189936 /nfs/dbraw/zinc/18/99/36/866189936.db2.gz JNGRJFDMKPBNGM-AWEZNQCLSA-N 0 3 304.390 1.890 20 10 DDCDHN CN1CCN(c2ccc(CN3CC[C@@H](CO)C3)cc2F)CC1 ZINC001341553565 871710750 /nfs/dbraw/zinc/71/07/50/871710750.db2.gz NZDBUGVDGCXAEO-OAHLLOKOSA-N 0 3 307.413 1.392 20 10 DDCDHN CN1CCN(C2CCN(C(=O)Cc3ccc(N)cc3)CC2)CC1 ZINC001352056162 876576820 /nfs/dbraw/zinc/57/68/20/876576820.db2.gz VXOCIVYOATUFHB-UHFFFAOYSA-N 0 3 316.449 1.050 20 10 DDCDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CC1)COCCO3)[C@H](O)CO2 ZINC001353208516 877188291 /nfs/dbraw/zinc/18/82/91/877188291.db2.gz MHHIGXGZSKIZFZ-OAHLLOKOSA-N 0 3 321.373 1.199 20 10 DDCDHN O=C(NCC1COC1)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2 ZINC001277441209 884292650 /nfs/dbraw/zinc/29/26/50/884292650.db2.gz JHLXPOKXMAKMIS-UHFFFAOYSA-N 0 3 302.374 1.167 20 10 DDCDHN Cc1ccc(CN2CC3(C[C@H]3C(=O)Nc3nnco3)C2)c(O)c1 ZINC001277559443 885844507 /nfs/dbraw/zinc/84/45/07/885844507.db2.gz CCWAMIMBVUZJQF-LBPRGKRZSA-N 0 3 314.345 1.544 20 10 DDCDHN CNC(=O)CCN(C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232407612 886340812 /nfs/dbraw/zinc/34/08/12/886340812.db2.gz QUZOWCMDKOKDJC-UHFFFAOYSA-N 0 3 317.389 1.533 20 10 DDCDHN COC(=O)[C@@H]1CNCCN1Cc1c(C)n(C)c2ccccc21 ZINC001236054342 889081112 /nfs/dbraw/zinc/08/11/12/889081112.db2.gz CIBVCBGVHRPAOC-INIZCTEOSA-N 0 3 301.390 1.434 20 10 DDCDHN CNC(=O)NC1CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237684083 889803238 /nfs/dbraw/zinc/80/32/38/889803238.db2.gz MJVCYKHJXDVBIK-UHFFFAOYSA-N 0 3 323.393 1.303 20 10 DDCDHN COC(=O)Cc1ccc(C[NH+]2CCC(C(=O)OC)CC2)c([O-])c1 ZINC001249178761 893854790 /nfs/dbraw/zinc/85/47/90/893854790.db2.gz VPEHTJCWXBHPHR-UHFFFAOYSA-N 0 3 321.373 1.493 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](C(C)=O)C2)c([O-])c1 ZINC001249207725 893867282 /nfs/dbraw/zinc/86/72/82/893867282.db2.gz HLAIVPPONHADAN-AWEZNQCLSA-N 0 3 305.374 1.909 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](C(C)=O)C2)c([O-])c1 ZINC001249207725 893867300 /nfs/dbraw/zinc/86/73/00/893867300.db2.gz HLAIVPPONHADAN-AWEZNQCLSA-N 0 3 305.374 1.909 20 10 DDCDHN COc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(O)cc2[O-])cc1 ZINC001252734252 895426140 /nfs/dbraw/zinc/42/61/40/895426140.db2.gz URYOIJOXOLQUSC-CQSZACIVSA-N 0 3 319.357 1.636 20 10 DDCDHN CN(C)c1ccc(CN2CCN([C@H]3CCCN(C)C3)CC2)cc1 ZINC000362376482 529780332 /nfs/dbraw/zinc/78/03/32/529780332.db2.gz OYBUTHVFNLFNQO-IBGZPJMESA-N 0 3 316.493 1.964 20 10 DDCDHN COc1cccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1[O-] ZINC000092218289 193174680 /nfs/dbraw/zinc/17/46/80/193174680.db2.gz JYQGZXMZNROCKS-HNNXBMFYSA-N 0 3 306.406 1.697 20 10 DDCDHN COc1cccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1[O-] ZINC000092218289 193174681 /nfs/dbraw/zinc/17/46/81/193174681.db2.gz JYQGZXMZNROCKS-HNNXBMFYSA-N 0 3 306.406 1.697 20 10 DDCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCOCCS(C)(=O)=O)c([O-])c1 ZINC000285338312 131159100 /nfs/dbraw/zinc/15/91/00/131159100.db2.gz UQMDWARYDPEGRN-CYBMUJFWSA-N 0 3 315.435 1.721 20 10 DDCDHN CCOc1ccc(O)c(CN2CCC(N3CCNC3=O)CC2)c1 ZINC000127637888 407447996 /nfs/dbraw/zinc/44/79/96/407447996.db2.gz OARUGPHZUHNRST-UHFFFAOYSA-N 0 3 319.405 1.781 20 10 DDCDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000271352514 407647086 /nfs/dbraw/zinc/64/70/86/407647086.db2.gz LQWVAOBRVBTDPT-DZGCQCFKSA-N 0 3 306.406 1.755 20 10 DDCDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000271352514 407647091 /nfs/dbraw/zinc/64/70/91/407647091.db2.gz LQWVAOBRVBTDPT-DZGCQCFKSA-N 0 3 306.406 1.755 20 10 DDCDHN CC(C)[C@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000236714592 407758933 /nfs/dbraw/zinc/75/89/33/407758933.db2.gz SDGAWPMBTHVCGO-INIZCTEOSA-N 0 3 305.422 1.465 20 10 DDCDHN CCN1CCN(C[C@@H](C)CNC(=O)Cc2ccc(N)cc2)CC1 ZINC000262659925 407893447 /nfs/dbraw/zinc/89/34/47/407893447.db2.gz XJFOUNNMBKDOTM-HNNXBMFYSA-N 0 3 318.465 1.201 20 10 DDCDHN CC(=O)NC1CCC([NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000263668127 408199361 /nfs/dbraw/zinc/19/93/61/408199361.db2.gz JEOCAFCBAVSABM-UHFFFAOYSA-N 0 3 306.362 1.658 20 10 DDCDHN CCOCc1cc(CNC[C@]2(O)CCO[C@H]2C)ccc1OC ZINC000278607234 409085221 /nfs/dbraw/zinc/08/52/21/409085221.db2.gz IMZRMEUEZAZSLV-SUMWQHHRSA-N 0 3 309.406 1.861 20 10 DDCDHN CCN1CC[C@H]2OCCN(Cc3cccc(OC)c3O)[C@H]2C1 ZINC000293589133 409143377 /nfs/dbraw/zinc/14/33/77/409143377.db2.gz IJHFFIRSRDGVIP-LSDHHAIUSA-N 0 3 306.406 1.696 20 10 DDCDHN CC[C@@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1ccc(C)cc1[O-] ZINC000280173452 409263656 /nfs/dbraw/zinc/26/36/56/409263656.db2.gz RFWFJGJVMMKCHF-MRXNPFEDSA-N 0 3 319.449 1.952 20 10 DDCDHN C[C@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccccc1[O-] ZINC000360713559 418497392 /nfs/dbraw/zinc/49/73/92/418497392.db2.gz OXSXFQZGJJLFJD-NSHDSACASA-N 0 3 302.382 1.235 20 10 DDCDHN CN(C)CC1(NC(=O)NCc2ccc3c(c2)CCN3C)CCC1 ZINC000366839104 418524209 /nfs/dbraw/zinc/52/42/09/418524209.db2.gz WSKNLWBUKBJKDM-UHFFFAOYSA-N 0 3 316.449 1.962 20 10 DDCDHN COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)nn1 ZINC000363907281 418771241 /nfs/dbraw/zinc/77/12/41/418771241.db2.gz KPYZTVVYLXVEHJ-GFCCVEGCSA-N 0 3 302.334 1.217 20 10 DDCDHN COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)nn1 ZINC000363907281 418771244 /nfs/dbraw/zinc/77/12/44/418771244.db2.gz KPYZTVVYLXVEHJ-GFCCVEGCSA-N 0 3 302.334 1.217 20 10 DDCDHN COc1ccc(O)c(CN2CC[C@H](NC(=O)C3CCC3)C2)c1 ZINC000378437879 418723511 /nfs/dbraw/zinc/72/35/11/418723511.db2.gz HKUIOPPKGKVAMM-AWEZNQCLSA-N 0 3 304.390 1.891 20 10 DDCDHN CC(C)NC(=O)CN1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000378488895 418724579 /nfs/dbraw/zinc/72/45/79/418724579.db2.gz ATAHMYLEPINNID-UHFFFAOYSA-N 0 3 323.412 1.564 20 10 DDCDHN CC(C)(C)NC(=O)CN1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000371528561 418797368 /nfs/dbraw/zinc/79/73/68/418797368.db2.gz MNUJYPILAFALFN-UHFFFAOYSA-N 0 3 319.449 1.815 20 10 DDCDHN CC(C)(C)NC(=O)CN1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000371528561 418797371 /nfs/dbraw/zinc/79/73/71/418797371.db2.gz MNUJYPILAFALFN-UHFFFAOYSA-N 0 3 319.449 1.815 20 10 DDCDHN C[C@@]1(C2CC[NH+](Cc3ccccc3[O-])CC2)NC(=O)NC1=O ZINC000371535755 418798056 /nfs/dbraw/zinc/79/80/56/418798056.db2.gz RYWMWWYCHZAEEF-INIZCTEOSA-N 0 3 303.362 1.202 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 ZINC000373215657 418932405 /nfs/dbraw/zinc/93/24/05/418932405.db2.gz JOEJRTDGWVPILA-WFASDCNBSA-N 0 3 304.390 1.891 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 ZINC000373215657 418932406 /nfs/dbraw/zinc/93/24/06/418932406.db2.gz JOEJRTDGWVPILA-WFASDCNBSA-N 0 3 304.390 1.891 20 10 DDCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)CC[NH3+] ZINC000236916000 521287737 /nfs/dbraw/zinc/28/77/37/521287737.db2.gz ZJGMFWOEZHXQBV-UHFFFAOYSA-N 0 3 301.184 1.852 20 10 DDCDHN COC(=O)CC1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCOCC1 ZINC000268022783 522933072 /nfs/dbraw/zinc/93/30/72/522933072.db2.gz IFXACHZWCPAKNI-UHFFFAOYSA-N 0 3 323.345 1.323 20 10 DDCDHN COCCCN(C)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180813161 523218566 /nfs/dbraw/zinc/21/85/66/523218566.db2.gz HSVTYVPOVFSTQB-FNORWQNLSA-N 0 3 308.378 1.196 20 10 DDCDHN COC(=O)COc1ccc(N(C)C[C@@H](O)CN(C)C2CC2)cc1 ZINC000289494993 536478037 /nfs/dbraw/zinc/47/80/37/536478037.db2.gz JZBAZFZSVUMELK-HNNXBMFYSA-N 0 3 322.405 1.130 20 10 DDCDHN CC[C@@H](CO)N1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000180519191 697449536 /nfs/dbraw/zinc/44/95/36/697449536.db2.gz GAQBIOMCAQDWIE-AWEZNQCLSA-N 0 3 324.421 1.298 20 10 DDCDHN CN(C)c1ccc(CN2CCC3(CNC(=O)C3)CC2)cc1F ZINC000271185605 698526905 /nfs/dbraw/zinc/52/69/05/698526905.db2.gz MWDMKVDWWPTGPI-UHFFFAOYSA-N 0 3 305.397 1.994 20 10 DDCDHN O=S1(=O)CCCC[C@H]1CNCc1cc2c(cc1O)OCO2 ZINC000784621055 699031565 /nfs/dbraw/zinc/03/15/65/699031565.db2.gz LWUXHLIWHFKPHS-NSHDSACASA-N 0 3 313.375 1.178 20 10 DDCDHN CCN1C[C@H](NCc2ccc(N3CCOCC3)cc2)CC1=O ZINC000391576148 699098855 /nfs/dbraw/zinc/09/88/55/699098855.db2.gz YIIKWSSPVIAUBE-OAHLLOKOSA-N 0 3 303.406 1.234 20 10 DDCDHN C[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1CCS(=O)(=O)C1 ZINC000740865235 699803458 /nfs/dbraw/zinc/80/34/58/699803458.db2.gz QTQQZSNGNNVIDO-GFCCVEGCSA-N 0 3 320.414 1.807 20 10 DDCDHN C[N@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1CCS(=O)(=O)C1 ZINC000740865235 699803461 /nfs/dbraw/zinc/80/34/61/699803461.db2.gz QTQQZSNGNNVIDO-GFCCVEGCSA-N 0 3 320.414 1.807 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](n3ccnc3)C1)[C@@H](O)CO2 ZINC000768447045 701177631 /nfs/dbraw/zinc/17/76/31/701177631.db2.gz QPXCPRJGHIPMPS-BBRMVZONSA-N 0 3 315.373 1.852 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](n3ccnc3)C1)[C@@H](O)CO2 ZINC000768447045 701177633 /nfs/dbraw/zinc/17/76/33/701177633.db2.gz QPXCPRJGHIPMPS-BBRMVZONSA-N 0 3 315.373 1.852 20 10 DDCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464087 701179930 /nfs/dbraw/zinc/17/99/30/701179930.db2.gz NIJCWVDZWYVMRE-BBRMVZONSA-N 0 3 307.346 1.203 20 10 DDCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464087 701179932 /nfs/dbraw/zinc/17/99/32/701179932.db2.gz NIJCWVDZWYVMRE-BBRMVZONSA-N 0 3 307.346 1.203 20 10 DDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(=O)N2CCOCC2)c1[O-] ZINC000808710246 701532451 /nfs/dbraw/zinc/53/24/51/701532451.db2.gz NWHBQORWHGZAKT-NSHDSACASA-N 0 3 312.797 1.863 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNCC(=O)NCC(F)(F)F ZINC000840934299 702285758 /nfs/dbraw/zinc/28/57/58/702285758.db2.gz ZRQCTKSFARMMQP-UHFFFAOYSA-N 0 3 303.328 1.829 20 10 DDCDHN O=S1(=O)CCCN1C1CCN(Cc2ccccc2O)CC1 ZINC000840955366 702292504 /nfs/dbraw/zinc/29/25/04/702292504.db2.gz UJTPUMSIQBGCGE-UHFFFAOYSA-N 0 3 310.419 1.392 20 10 DDCDHN O=S1(=O)CCCN1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000840955366 702292508 /nfs/dbraw/zinc/29/25/08/702292508.db2.gz UJTPUMSIQBGCGE-UHFFFAOYSA-N 0 3 310.419 1.392 20 10 DDCDHN C[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)N1CCCCC1 ZINC000841019893 702313091 /nfs/dbraw/zinc/31/30/91/702313091.db2.gz LXRVYPGEIPGUFJ-GFCCVEGCSA-N 0 3 304.394 1.198 20 10 DDCDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(N)cc1 ZINC000841299585 702416314 /nfs/dbraw/zinc/41/63/14/702416314.db2.gz FHMFRAZNQBLLQR-HNNXBMFYSA-N 0 3 306.410 1.843 20 10 DDCDHN CCOC(=O)[C@H]1NCC[C@H]1NCc1ccc(N(C)C)cc1C ZINC000817893680 702510684 /nfs/dbraw/zinc/51/06/84/702510684.db2.gz GNWBIFLCUSVMJT-CVEARBPZSA-N 0 3 305.422 1.444 20 10 DDCDHN COC(=O)CCN1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1=O ZINC000879650402 706749577 /nfs/dbraw/zinc/74/95/77/706749577.db2.gz ZMALHIJIKLUGMH-YPMHNXCESA-N 0 3 306.362 1.207 20 10 DDCDHN C[C@@H](NCC(=O)NCC(=O)NC(C)(C)C)c1ccccc1O ZINC000879648174 706749608 /nfs/dbraw/zinc/74/96/08/706749608.db2.gz BMVVLMCIMFTMOQ-LLVKDONJSA-N 0 3 307.394 1.074 20 10 DDCDHN Cn1cncc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406035 703729839 /nfs/dbraw/zinc/72/98/39/703729839.db2.gz PCHKADPNOBLUGF-UHFFFAOYSA-N 0 3 300.406 1.671 20 10 DDCDHN CC(C)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@]1(O)CCCOC1 ZINC000850400558 703729929 /nfs/dbraw/zinc/72/99/29/703729929.db2.gz JWMBKRGEVIIKGC-QGZVFWFLSA-N 0 3 323.389 1.778 20 10 DDCDHN CCC[N@H+](CCN1C(=O)CN(C)C1=O)Cc1ccccc1[O-] ZINC000851791469 703856981 /nfs/dbraw/zinc/85/69/81/703856981.db2.gz BCVTUQFCSUSMNH-UHFFFAOYSA-N 0 3 305.378 1.498 20 10 DDCDHN CCC[N@@H+](CCN1C(=O)CN(C)C1=O)Cc1ccccc1[O-] ZINC000851791469 703856982 /nfs/dbraw/zinc/85/69/82/703856982.db2.gz BCVTUQFCSUSMNH-UHFFFAOYSA-N 0 3 305.378 1.498 20 10 DDCDHN N[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCC1 ZINC000852868998 704155076 /nfs/dbraw/zinc/15/50/76/704155076.db2.gz SESAYBNHHLVORJ-QGZVFWFLSA-N 0 3 317.433 1.391 20 10 DDCDHN COc1cc(C)cc(CN2CC[C@H](N(C)C(=O)N(C)C)C2)c1O ZINC000853581991 704275127 /nfs/dbraw/zinc/27/51/27/704275127.db2.gz BDATVIRNZWZBGI-AWEZNQCLSA-N 0 3 321.421 1.897 20 10 DDCDHN COc1ccc(N2CCN(C(=O)CN3CCCC3)CC2)cc1F ZINC000820719842 704323586 /nfs/dbraw/zinc/32/35/86/704323586.db2.gz ADQYNVWTVKYJKO-UHFFFAOYSA-N 0 3 321.396 1.579 20 10 DDCDHN CCN(CC)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210699 704518455 /nfs/dbraw/zinc/51/84/55/704518455.db2.gz NBGIJUWLUWQJIS-UHFFFAOYSA-N 0 3 319.449 1.606 20 10 DDCDHN Cc1cccc(O)c1CN1CCN(c2ncc(F)cn2)CC1 ZINC000877349731 706075661 /nfs/dbraw/zinc/07/56/61/706075661.db2.gz OHVLIXPSFMDLPP-UHFFFAOYSA-N 0 3 302.353 1.952 20 10 DDCDHN COc1cc(O)c(CN2CCCC[C@H]2CNC(C)=O)cc1OC ZINC000877674669 706176723 /nfs/dbraw/zinc/17/67/23/706176723.db2.gz ONLSWLJCFADSQN-AWEZNQCLSA-N 0 3 322.405 1.900 20 10 DDCDHN O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000865741466 706512172 /nfs/dbraw/zinc/51/21/72/706512172.db2.gz ITDXHXGJLWAEAI-HUUCEWRRSA-N 0 3 324.446 1.875 20 10 DDCDHN CC[C@H](O)[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247722 710140474 /nfs/dbraw/zinc/14/04/74/710140474.db2.gz UPSMJIWHZGTPMY-JQFCIGGWSA-N 0 3 321.465 1.879 20 10 DDCDHN CC1(C)CNC(=O)[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000895322947 711483925 /nfs/dbraw/zinc/48/39/25/711483925.db2.gz XIUXHZZCPGWSOY-MRXNPFEDSA-N 0 3 317.433 1.262 20 10 DDCDHN O=C1NCC2(CCOCC2)[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000896044520 711668010 /nfs/dbraw/zinc/66/80/10/711668010.db2.gz BKIOXIGQYVOGSD-INIZCTEOSA-N 0 3 316.401 1.396 20 10 DDCDHN CC1(C)CCN(CCNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000906720462 712399461 /nfs/dbraw/zinc/39/94/61/712399461.db2.gz AYSYLPXEFOBQAG-UHFFFAOYSA-N 0 3 304.394 1.055 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCOC(C)(C)C2)c1 ZINC000930217059 713779447 /nfs/dbraw/zinc/77/94/47/713779447.db2.gz RNWRXPQBCYSQBI-LBPRGKRZSA-N 0 3 322.405 1.689 20 10 DDCDHN CN(C)c1ccc(CN2CCC3(CC2)C[C@@H](O)CNC3=O)cc1 ZINC000932836195 714423092 /nfs/dbraw/zinc/42/30/92/714423092.db2.gz SFZNIKFIBQFAHQ-MRXNPFEDSA-N 0 3 317.433 1.216 20 10 DDCDHN CN(CC(=O)NCCc1cc(O)c(O)cc1O)C1CCCC1 ZINC001180630122 742857460 /nfs/dbraw/zinc/85/74/60/742857460.db2.gz KCKFJZIYSUOSTQ-UHFFFAOYSA-N 0 3 308.378 1.337 20 10 DDCDHN COCCNC(=S)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001197884218 747297474 /nfs/dbraw/zinc/29/74/74/747297474.db2.gz GSANPRXFIXCGFB-UHFFFAOYSA-N 0 3 323.462 1.467 20 10 DDCDHN [O-]c1ccccc1C[NH+]1CCC(NC(=S)NC2CC2)CC1 ZINC001200635527 748298226 /nfs/dbraw/zinc/29/82/26/748298226.db2.gz BMLQEVCDKCKJFM-UHFFFAOYSA-N 0 3 305.447 1.983 20 10 DDCDHN O=C(c1cc(O)c([O-])c(O)c1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001148584062 773539355 /nfs/dbraw/zinc/53/93/55/773539355.db2.gz MJQZOAGVFVALRG-ZDUSSCGKSA-N 0 3 320.389 1.894 20 10 DDCDHN NC(=O)[C@@H]1CCCN1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336685 860062161 /nfs/dbraw/zinc/06/21/61/860062161.db2.gz VTFAYOXUSWHLIW-HNNXBMFYSA-N 0 3 315.417 1.541 20 10 DDCDHN CN1CCN(c2ccc(CN3CCn4cncc4C3)cc2)CC1 ZINC001139412352 860392693 /nfs/dbraw/zinc/39/26/93/860392693.db2.gz IAKUVKHQCHZKLF-UHFFFAOYSA-N 0 3 311.433 1.651 20 10 DDCDHN CCN1CCN(c2ccc(CN3CCC34COC4)cc2)CC1 ZINC001140303916 860615518 /nfs/dbraw/zinc/61/55/18/860615518.db2.gz DVPXBQITIXQZLG-UHFFFAOYSA-N 0 3 301.434 1.803 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccc(C)cc3[O-])CC[C@H]21 ZINC001140952075 860745681 /nfs/dbraw/zinc/74/56/81/860745681.db2.gz DDVNJNMFYFNVNB-SJLPKXTDSA-N 0 3 318.417 1.912 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccc(C)cc3[O-])CC[C@H]21 ZINC001140952075 860745690 /nfs/dbraw/zinc/74/56/90/860745690.db2.gz DDVNJNMFYFNVNB-SJLPKXTDSA-N 0 3 318.417 1.912 20 10 DDCDHN COCCCN1CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141028604 860765744 /nfs/dbraw/zinc/76/57/44/860765744.db2.gz WUPGHGJJKRPUFC-UHFFFAOYSA-N 0 3 324.421 1.564 20 10 DDCDHN CCOc1ccc(N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC001332354519 865782922 /nfs/dbraw/zinc/78/29/22/865782922.db2.gz ZWVZQPYOMPPHAI-UHFFFAOYSA-N 0 3 317.433 1.830 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001319946682 866398198 /nfs/dbraw/zinc/39/81/98/866398198.db2.gz CQRIGIUMKJZBGM-LBPRGKRZSA-N 0 3 304.390 1.891 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001319946682 866398203 /nfs/dbraw/zinc/39/82/03/866398203.db2.gz CQRIGIUMKJZBGM-LBPRGKRZSA-N 0 3 304.390 1.891 20 10 DDCDHN COc1ccc2c(c1)c1c(n2C)CCN(c2cc(CN)ncn2)C1 ZINC001166815755 870271908 /nfs/dbraw/zinc/27/19/08/870271908.db2.gz HATDNHFTMOVIHK-UHFFFAOYSA-N 0 3 323.400 1.998 20 10 DDCDHN Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2ccccc2[O-])C3)n1 ZINC001203553008 870636866 /nfs/dbraw/zinc/63/68/66/870636866.db2.gz YBKJIOZGXNOQHX-CZUORRHYSA-N 0 3 301.346 1.484 20 10 DDCDHN Cc1noc([C@]23COC[C@H]2C[N@@H+](Cc2ccccc2[O-])C3)n1 ZINC001203553008 870636869 /nfs/dbraw/zinc/63/68/69/870636869.db2.gz YBKJIOZGXNOQHX-CZUORRHYSA-N 0 3 301.346 1.484 20 10 DDCDHN COc1ccc(C[NH+]2CCC3(CCCNC3=O)CC2)c([O-])c1 ZINC001203627428 870681995 /nfs/dbraw/zinc/68/19/95/870681995.db2.gz DALRRIJSSSVBGK-UHFFFAOYSA-N 0 3 304.390 1.893 20 10 DDCDHN O=C(N1CCCCO1)C12CC([NH2+]Cc3ccc(O)cc3[O-])(C1)C2 ZINC001277196850 882955864 /nfs/dbraw/zinc/95/58/64/882955864.db2.gz QHZCGJUMKLVZLK-UHFFFAOYSA-N 0 3 318.373 1.664 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)[C@@H]2CNCCN2C)cc1 ZINC001353494181 877372510 /nfs/dbraw/zinc/37/25/10/877372510.db2.gz AZDBCBGKWHTKEL-INIZCTEOSA-N 0 3 304.438 1.053 20 10 DDCDHN COc1ccc(CN2CC[C@H]3C[C@]32C(=O)N2CC=CC2)c(O)c1 ZINC001277456369 884500833 /nfs/dbraw/zinc/50/08/33/884500833.db2.gz DWUSTSSNRCNQSF-KBXCAEBGSA-N 0 3 314.385 1.764 20 10 DDCDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NCC(F)F)C2)c([O-])c1 ZINC001277567362 885873672 /nfs/dbraw/zinc/87/36/72/885873672.db2.gz GDPZPIMLUUPKLG-MLGOLLRUSA-N 0 3 310.344 1.904 20 10 DDCDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)NCC(F)F)C2)c([O-])c1 ZINC001277567362 885873681 /nfs/dbraw/zinc/87/36/81/885873681.db2.gz GDPZPIMLUUPKLG-MLGOLLRUSA-N 0 3 310.344 1.904 20 10 DDCDHN COc1ncnc2c1CCN(Cc1cc(O)c(O)cc1O)CC2 ZINC001233484458 887014431 /nfs/dbraw/zinc/01/44/31/887014431.db2.gz LEZKIWGZQYWFTE-UHFFFAOYSA-N 0 3 317.345 1.203 20 10 DDCDHN COc1cc(C)c(CN2CC(N3CCN(C)CC3)C2)c(O)c1 ZINC001236815051 889369223 /nfs/dbraw/zinc/36/92/23/889369223.db2.gz HIIOVDOACRZKSV-UHFFFAOYSA-N 0 3 305.422 1.141 20 10 DDCDHN CNC(=O)N[C@H]1CCCN(Cc2c(C)cc(OC)cc2O)C1 ZINC001236816049 889371281 /nfs/dbraw/zinc/37/12/81/889371281.db2.gz QIXYLIPELIYLRP-LBPRGKRZSA-N 0 3 307.394 1.603 20 10 DDCDHN Oc1ccc(CNC[C@H](O)COc2ccc(F)cc2)cc1O ZINC001251945978 894904484 /nfs/dbraw/zinc/90/44/84/894904484.db2.gz KFUWMOJXZPYFEV-ZDUSSCGKSA-N 0 3 307.321 1.766 20 10 DDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253157025 895672484 /nfs/dbraw/zinc/67/24/84/895672484.db2.gz IMZPUQAAOPVOEY-MRXNPFEDSA-N 0 3 317.385 1.457 20 10 DDCDHN C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)c(F)c1[O-] ZINC000276851260 296119297 /nfs/dbraw/zinc/11/92/97/296119297.db2.gz AZXQQEOLFUXHTF-SNVBAGLBSA-N 0 3 300.349 1.778 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)c([O-])c1 ZINC000273361788 130110980 /nfs/dbraw/zinc/11/09/80/130110980.db2.gz ANHPEEPJKHMFJR-HIFRSBDPSA-N 0 3 305.422 1.691 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC1(C)C)cc2=O ZINC000077383044 406987840 /nfs/dbraw/zinc/98/78/40/406987840.db2.gz LFZCPOXCKXTFDM-UHFFFAOYSA-N 0 3 318.377 1.986 20 10 DDCDHN CC[C@H](CO)N1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271172694 407553467 /nfs/dbraw/zinc/55/34/67/407553467.db2.gz FZLSDHVOUXQVRL-OAHLLOKOSA-N 0 3 309.429 1.780 20 10 DDCDHN C[C@H](N)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178834110 407618293 /nfs/dbraw/zinc/61/82/93/407618293.db2.gz CTHDIXHFYYBRRQ-QWRGUYRKSA-N 0 3 313.348 1.720 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CN2CCOCC2)c1[O-] ZINC000228671260 407649871 /nfs/dbraw/zinc/64/98/71/407649871.db2.gz YDKVAKRRLWJFIE-LLVKDONJSA-N 0 3 314.813 1.865 20 10 DDCDHN COC[C@@H](O)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268928976 408217392 /nfs/dbraw/zinc/21/73/92/408217392.db2.gz QNLVWCUBZFJZOK-OCCSQVGLSA-N 0 3 312.385 1.320 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000273610352 408265861 /nfs/dbraw/zinc/26/58/61/408265861.db2.gz VPDSNZIOZKYNSZ-QWHCGFSZSA-N 0 3 312.435 1.775 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC000269546757 408349063 /nfs/dbraw/zinc/34/90/63/408349063.db2.gz YJWRVVIGSLZRBO-CYBMUJFWSA-N 0 3 312.435 1.462 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC000269546757 408349069 /nfs/dbraw/zinc/34/90/69/408349069.db2.gz YJWRVVIGSLZRBO-CYBMUJFWSA-N 0 3 312.435 1.462 20 10 DDCDHN Cc1ccc(O)c(CN2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC000269546757 408349073 /nfs/dbraw/zinc/34/90/73/408349073.db2.gz YJWRVVIGSLZRBO-CYBMUJFWSA-N 0 3 312.435 1.462 20 10 DDCDHN CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183420389 408407861 /nfs/dbraw/zinc/40/78/61/408407861.db2.gz WRNNDRWOKLKOQQ-LBPRGKRZSA-N 0 3 300.424 1.714 20 10 DDCDHN CN(C)c1ccc(CN2CCC3(CC2)NC(=O)N(C)C3=O)cc1 ZINC000193456754 408721447 /nfs/dbraw/zinc/72/14/47/408721447.db2.gz VSVVJEASOVKKGI-UHFFFAOYSA-N 0 3 316.405 1.269 20 10 DDCDHN Cc1ccc(C(=O)NCC2([NH+](C)C)CCOCC2)c([O-])c1O ZINC000177685761 408686081 /nfs/dbraw/zinc/68/60/81/408686081.db2.gz VSPQKAMASZBDID-UHFFFAOYSA-N 0 3 308.378 1.247 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)c1 ZINC000185364348 408800832 /nfs/dbraw/zinc/80/08/32/408800832.db2.gz KWOKKNSHVGXKJV-UONOGXRCSA-N 0 3 307.438 1.687 20 10 DDCDHN C[C@@H]1CN(CCC[NH2+]Cc2cc3c(cc2[O-])OCO3)CCCO1 ZINC000277710991 408997022 /nfs/dbraw/zinc/99/70/22/408997022.db2.gz IQICOYLSESOQKF-CYBMUJFWSA-N 0 3 322.405 1.711 20 10 DDCDHN CCOCc1cc(CNC[C@@]2(O)CCO[C@@H]2C)ccc1OC ZINC000278607223 409085920 /nfs/dbraw/zinc/08/59/20/409085920.db2.gz IMZRMEUEZAZSLV-DYVFJYSZSA-N 0 3 309.406 1.861 20 10 DDCDHN COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000278692001 409086410 /nfs/dbraw/zinc/08/64/10/409086410.db2.gz MVILNGKAVLTJJM-SWLSCSKDSA-N 0 3 313.369 1.377 20 10 DDCDHN COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000278692001 409086413 /nfs/dbraw/zinc/08/64/13/409086413.db2.gz MVILNGKAVLTJJM-SWLSCSKDSA-N 0 3 313.369 1.377 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000295019401 409309234 /nfs/dbraw/zinc/30/92/34/409309234.db2.gz KJMICSDRNUPMMF-WDEREUQCSA-N 0 3 316.423 1.379 20 10 DDCDHN C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000284990727 409392163 /nfs/dbraw/zinc/39/21/63/409392163.db2.gz CJGZCYTUILVWCZ-OCCSQVGLSA-N 0 3 320.389 1.416 20 10 DDCDHN C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000284990727 409392167 /nfs/dbraw/zinc/39/21/67/409392167.db2.gz CJGZCYTUILVWCZ-OCCSQVGLSA-N 0 3 320.389 1.416 20 10 DDCDHN C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1cc2c(cc1O)OCO2 ZINC000284990727 409392173 /nfs/dbraw/zinc/39/21/73/409392173.db2.gz CJGZCYTUILVWCZ-OCCSQVGLSA-N 0 3 320.389 1.416 20 10 DDCDHN CS(=O)(=O)N1CCC(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000297784994 409998546 /nfs/dbraw/zinc/99/85/46/409998546.db2.gz PSLWTFDZNXQBKT-AWEZNQCLSA-N 0 3 324.446 1.641 20 10 DDCDHN CNC(=O)CN1CCCN([C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000373637126 418443502 /nfs/dbraw/zinc/44/35/02/418443502.db2.gz HHQDCNIOONPVEZ-ZDUSSCGKSA-N 0 3 321.421 1.216 20 10 DDCDHN COC(=O)CN1CCCN(Cc2cc(OC)ccc2O)CC1 ZINC000374988413 418584054 /nfs/dbraw/zinc/58/40/54/418584054.db2.gz NXZRPXOFSQRKEI-UHFFFAOYSA-N 0 3 308.378 1.082 20 10 DDCDHN O[C@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@@H]1O ZINC000368044754 418678653 /nfs/dbraw/zinc/67/86/53/418678653.db2.gz TZRYBWJQMMQNJP-PMACEKPBSA-N 0 3 324.424 1.787 20 10 DDCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000273621371 222473412 /nfs/dbraw/zinc/47/34/12/222473412.db2.gz ZCYPIRHYJICXPK-STQMWFEESA-N 0 3 312.435 1.775 20 10 DDCDHN CCCOc1ccc(CN2CC[C@@H]3OCC(=O)N[C@@H]3C2)c(O)c1 ZINC000370717259 418747093 /nfs/dbraw/zinc/74/70/93/418747093.db2.gz SHIJSQXMOVKBGM-ZBFHGGJFSA-N 0 3 320.389 1.270 20 10 DDCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1ccccc1[O-] ZINC000362258612 418751502 /nfs/dbraw/zinc/75/15/02/418751502.db2.gz RHYLFNVXBSPZJO-UONOGXRCSA-N 0 3 314.389 1.972 20 10 DDCDHN COc1cc(O)c(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1OC ZINC000362241212 418751593 /nfs/dbraw/zinc/75/15/93/418751593.db2.gz XDTPSZRSLDXGKT-RTXFEEFZSA-N 0 3 320.389 1.508 20 10 DDCDHN C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccccc1[O-] ZINC000527944657 421458468 /nfs/dbraw/zinc/45/84/68/421458468.db2.gz AXWDFBRPQMGBBT-KDOFPFPSSA-N 0 3 320.433 1.659 20 10 DDCDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180808764 524557403 /nfs/dbraw/zinc/55/74/03/524557403.db2.gz ADZYILPFXWIJNB-COWJPUMTSA-N 0 3 304.390 1.910 20 10 DDCDHN COc1ccc(O)c(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1 ZINC000188740300 524740416 /nfs/dbraw/zinc/74/04/16/524740416.db2.gz UMVHVXIJSGIVTC-ZDUSSCGKSA-N 0 3 308.422 1.678 20 10 DDCDHN COc1ccc(O)c(CN2CCN(CC3CCOCC3)CC2)c1 ZINC000180228092 524742186 /nfs/dbraw/zinc/74/21/86/524742186.db2.gz HNNLGYOTMZFKBQ-UHFFFAOYSA-N 0 3 320.433 1.945 20 10 DDCDHN Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccccc2[O-])cc1 ZINC000237746628 525571381 /nfs/dbraw/zinc/57/13/81/525571381.db2.gz UPSDGIMOLZPTOH-UHFFFAOYSA-N 0 3 320.414 1.769 20 10 DDCDHN COc1cccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000269906270 526036299 /nfs/dbraw/zinc/03/62/99/526036299.db2.gz HCVFPASSASXADG-HOTGVXAUSA-N 0 3 317.385 1.975 20 10 DDCDHN COC(=O)COc1ccc(N(C)C[C@H](O)CN(C)C2CC2)cc1 ZINC000289494995 536478133 /nfs/dbraw/zinc/47/81/33/536478133.db2.gz JZBAZFZSVUMELK-OAHLLOKOSA-N 0 3 322.405 1.130 20 10 DDCDHN CC[C@@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000130361938 696797196 /nfs/dbraw/zinc/79/71/96/696797196.db2.gz MXIYJDUZCOPPII-CQSZACIVSA-N 0 3 309.385 1.140 20 10 DDCDHN CC[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccccc1[O-] ZINC000775491957 698003923 /nfs/dbraw/zinc/00/39/23/698003923.db2.gz JLDRGJVXBZFYEB-CYBMUJFWSA-N 0 3 300.424 1.714 20 10 DDCDHN CC[C@@H]1C(=O)NCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775676290 698021720 /nfs/dbraw/zinc/02/17/20/698021720.db2.gz PECPPASUDUYXKH-QGZVFWFLSA-N 0 3 316.449 1.149 20 10 DDCDHN COC(=O)CNC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775837074 698043094 /nfs/dbraw/zinc/04/30/94/698043094.db2.gz RERQJDMBCGIXHX-VXGBXAGGSA-N 0 3 307.394 1.081 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@@H](N)CC(F)F)CC2)cc1 ZINC000389805182 699090344 /nfs/dbraw/zinc/09/03/44/699090344.db2.gz JVZFQNYYCOZVHJ-ZDUSSCGKSA-N 0 3 313.348 1.326 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN(C)CCCCCO)cc1 ZINC000789343717 699379886 /nfs/dbraw/zinc/37/98/86/699379886.db2.gz ZOMWKCQSIVXWEA-UHFFFAOYSA-N 0 3 307.438 1.463 20 10 DDCDHN COC[C@@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000801733753 700335077 /nfs/dbraw/zinc/33/50/77/700335077.db2.gz CRHDYGRULRFVTK-AWEZNQCLSA-N 0 3 323.393 1.682 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]([C@@H]3CCOC3)C1)[C@@H](O)CO2 ZINC000768464028 701179658 /nfs/dbraw/zinc/17/96/58/701179658.db2.gz ZAUWZBWPXBODQM-OZVIIMIRSA-N 0 3 305.374 1.676 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]([C@@H]3CCOC3)C1)[C@@H](O)CO2 ZINC000768464028 701179661 /nfs/dbraw/zinc/17/96/61/701179661.db2.gz ZAUWZBWPXBODQM-OZVIIMIRSA-N 0 3 305.374 1.676 20 10 DDCDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841041708 702319680 /nfs/dbraw/zinc/31/96/80/702319680.db2.gz AMTNWGSQJKDMDW-CQSZACIVSA-N 0 3 304.394 1.198 20 10 DDCDHN COc1c([O-])c(C[NH2+][C@H](CN)C2CCCC2)ccc1[N+](=O)[O-] ZINC000841087223 702341526 /nfs/dbraw/zinc/34/15/26/702341526.db2.gz QJXPXXSFFABFDS-GFCCVEGCSA-N 0 3 309.366 1.916 20 10 DDCDHN COCCN1CCC[C@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841800261 702569494 /nfs/dbraw/zinc/56/94/94/702569494.db2.gz AJUXUUQQSOVRDN-INIZCTEOSA-N 0 3 320.437 1.221 20 10 DDCDHN CCOCc1cc(CN[C@@H]2CCC(=O)N(C)C2=O)ccc1OC ZINC000818233347 702612486 /nfs/dbraw/zinc/61/24/86/702612486.db2.gz JVTMOCRORDZQHF-CQSZACIVSA-N 0 3 320.389 1.469 20 10 DDCDHN Nc1ccc(CCNC(=O)NC[C@@H]2NCCc3ccccc32)cc1 ZINC000841955765 702635248 /nfs/dbraw/zinc/63/52/48/702635248.db2.gz MNHXQQNVYXCCQC-SFHVURJKSA-N 0 3 324.428 1.998 20 10 DDCDHN CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)c([O-])c1 ZINC000843435718 702882036 /nfs/dbraw/zinc/88/20/36/702882036.db2.gz XLXHQQSDVUWICE-QWHCGFSZSA-N 0 3 309.362 1.147 20 10 DDCDHN CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)c([O-])c1 ZINC000843435718 702882038 /nfs/dbraw/zinc/88/20/38/702882038.db2.gz XLXHQQSDVUWICE-QWHCGFSZSA-N 0 3 309.362 1.147 20 10 DDCDHN CC[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1ccccc1[O-] ZINC000866551825 706727428 /nfs/dbraw/zinc/72/74/28/706727428.db2.gz CNHAJQKTCHAJTQ-YOEHRIQHSA-N 0 3 320.389 1.061 20 10 DDCDHN COC(=O)CC1(NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000846026907 703228333 /nfs/dbraw/zinc/22/83/33/703228333.db2.gz IFKHPWCKJFVICC-UHFFFAOYSA-N 0 3 322.380 1.848 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@H]2C[C@@H](O)C2(C)C)cc1 ZINC000846957463 703357402 /nfs/dbraw/zinc/35/74/02/703357402.db2.gz FXZRUNGSHGKAEE-JKSUJKDBSA-N 0 3 319.449 1.460 20 10 DDCDHN CC(C)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)[C@]1(O)CCCOC1 ZINC000850400557 703729798 /nfs/dbraw/zinc/72/97/98/703729798.db2.gz JWMBKRGEVIIKGC-KRWDZBQOSA-N 0 3 323.389 1.778 20 10 DDCDHN COc1ccc(N2CCN(C[C@H](OC)[C@H]3CCOC3)CC2)cc1 ZINC000851714700 703835285 /nfs/dbraw/zinc/83/52/85/703835285.db2.gz TWJARHBEGJRXNK-YJBOKZPZSA-N 0 3 320.433 1.869 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)CCSC)C2)cc1 ZINC000852843681 704144799 /nfs/dbraw/zinc/14/47/99/704144799.db2.gz DUIDLBOIWZPYOB-WFASDCNBSA-N 0 3 323.462 1.471 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@H](N)CC(C)C)C2)cc1 ZINC000852844487 704145179 /nfs/dbraw/zinc/14/51/79/704145179.db2.gz VBRQGCVJTFVVIN-XJKSGUPXSA-N 0 3 305.422 1.764 20 10 DDCDHN CN(C)c1cc(F)c(CNCCCN2CCOCC2)cc1F ZINC000858086812 704664161 /nfs/dbraw/zinc/66/41/61/704664161.db2.gz NVJRPXARGIPSKD-UHFFFAOYSA-N 0 3 313.392 1.843 20 10 DDCDHN Cc1cc([O-])c(C[NH2+]CC(=O)N2CCN(C)CC2)cc1Cl ZINC000825159489 705612469 /nfs/dbraw/zinc/61/24/69/705612469.db2.gz DAIMAIQUFPQYKJ-UHFFFAOYSA-N 0 3 311.813 1.218 20 10 DDCDHN COC[C@@]1(C(=O)NCc2ccc(OC)cc2O)CCCCN1 ZINC000876910757 705919697 /nfs/dbraw/zinc/91/96/97/705919697.db2.gz LKHJMMGNISTYNS-MRXNPFEDSA-N 0 3 308.378 1.176 20 10 DDCDHN CN(C)c1ccc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1F ZINC000827131874 705936147 /nfs/dbraw/zinc/93/61/47/705936147.db2.gz FHAZXFFJPJXQLF-HIFRSBDPSA-N 0 3 305.397 1.992 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c([O-])c1 ZINC000827139977 705938533 /nfs/dbraw/zinc/93/85/33/705938533.db2.gz FQTXJUSFMSZEGT-WFASDCNBSA-N 0 3 304.390 1.891 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c([O-])c1 ZINC000827139977 705938537 /nfs/dbraw/zinc/93/85/37/705938537.db2.gz FQTXJUSFMSZEGT-WFASDCNBSA-N 0 3 304.390 1.891 20 10 DDCDHN N[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000827567365 706027830 /nfs/dbraw/zinc/02/78/30/706027830.db2.gz ICOBFATXCDRHGG-INIZCTEOSA-N 0 3 303.406 1.267 20 10 DDCDHN CCN1CCN(CCC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000827973234 706097261 /nfs/dbraw/zinc/09/72/61/706097261.db2.gz LRRXVCPSVFLQPC-AWEZNQCLSA-N 0 3 305.422 1.597 20 10 DDCDHN CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2[O-])CC12COC2 ZINC000877557799 706142030 /nfs/dbraw/zinc/14/20/30/706142030.db2.gz PXVQVZBFBFUFKT-AWEZNQCLSA-N 0 3 305.374 1.712 20 10 DDCDHN CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)cc2[O-])CC12COC2 ZINC000877557799 706142035 /nfs/dbraw/zinc/14/20/35/706142035.db2.gz PXVQVZBFBFUFKT-AWEZNQCLSA-N 0 3 305.374 1.712 20 10 DDCDHN CC(=O)N[C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877595284 706153140 /nfs/dbraw/zinc/15/31/40/706153140.db2.gz XFNAXILHHBXIJV-MRXNPFEDSA-N 0 3 317.433 1.358 20 10 DDCDHN COC(=O)C1=NO[C@]2(CCN(Cc3cc(C)ccc3O)C2)C1 ZINC000877714874 706186350 /nfs/dbraw/zinc/18/63/50/706186350.db2.gz RJVTZOBWCOZFOB-MRXNPFEDSA-N 0 3 304.346 1.594 20 10 DDCDHN OC[C@H]1CSCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000877780546 706208675 /nfs/dbraw/zinc/20/86/75/706208675.db2.gz UMKOZSNNWOXBIU-INIZCTEOSA-N 0 3 308.447 1.433 20 10 DDCDHN CN1CC[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C[C@@H]21 ZINC000828987869 706269037 /nfs/dbraw/zinc/26/90/37/706269037.db2.gz MVWKXJWJHWBYGD-RNCFNFMXSA-N 0 3 318.333 1.066 20 10 DDCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000883371926 707986240 /nfs/dbraw/zinc/98/62/40/707986240.db2.gz FLNRDIKRNPPNSE-QGZVFWFLSA-N 0 3 319.449 1.278 20 10 DDCDHN COC(=O)c1c(CNC[C@H]2CCN2C)c2cc(F)ccc2n1C ZINC000896594872 708092386 /nfs/dbraw/zinc/09/23/86/708092386.db2.gz DMTLYIXKIXZLMR-GFCCVEGCSA-N 0 3 319.380 1.898 20 10 DDCDHN CN1CCN(c2ccc(CN3CC[C@H](O)[C@H](F)C3)cc2)CC1 ZINC000898187413 708568711 /nfs/dbraw/zinc/56/87/11/708568711.db2.gz JIFUGFFVVOMJCT-SJORKVTESA-N 0 3 307.413 1.343 20 10 DDCDHN CC[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccccc1[O-] ZINC000898330152 708611755 /nfs/dbraw/zinc/61/17/55/708611755.db2.gz OQEYVLHJFPVPHV-CYBMUJFWSA-N 0 3 303.362 1.786 20 10 DDCDHN CN(C)c1ccc([C@@H](CNCc2csnn2)N(C)C)cc1 ZINC000898450337 708644361 /nfs/dbraw/zinc/64/43/61/708644361.db2.gz QGBVAYJBROLNOX-OAHLLOKOSA-N 0 3 305.451 1.997 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)N2CC(F)C2)N(C)C)cc1 ZINC000899103631 708984287 /nfs/dbraw/zinc/98/42/87/708984287.db2.gz NPYLWCCDPWCNNI-OAHLLOKOSA-N 0 3 308.401 1.719 20 10 DDCDHN COC(OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246850 710140506 /nfs/dbraw/zinc/14/05/06/710140506.db2.gz QJUURSQFUJVBCQ-CQSZACIVSA-N 0 3 309.410 1.090 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ncc[nH]2)N(C)C)cc1 ZINC000891248372 710141293 /nfs/dbraw/zinc/14/12/93/710141293.db2.gz LXHSIQXCJSGKLQ-CQSZACIVSA-N 0 3 301.394 1.508 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnc[nH]2)N(C)C)cc1 ZINC000891252363 710142412 /nfs/dbraw/zinc/14/24/12/710142412.db2.gz JXVLRSSLXNPAFF-OAHLLOKOSA-N 0 3 301.394 1.508 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2cnns2)N(C)C)cc1 ZINC000891252052 710142415 /nfs/dbraw/zinc/14/24/15/710142415.db2.gz FHQJTMCRSAEGLP-ZDUSSCGKSA-N 0 3 319.434 1.637 20 10 DDCDHN COc1ccc(CN2CCN(C[C@@H](C)O)C[C@H]2C)c(O)c1OC ZINC000894159123 710991721 /nfs/dbraw/zinc/99/17/21/710991721.db2.gz SDIXNNHHRYTQSK-CHWSQXEVSA-N 0 3 324.421 1.296 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924673042 714636125 /nfs/dbraw/zinc/63/61/25/714636125.db2.gz UAHRJUATDSZWSU-AWEZNQCLSA-N 0 3 304.394 1.043 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CNCCS2(=O)=O)c([O-])c1 ZINC000925801901 714938904 /nfs/dbraw/zinc/93/89/04/714938904.db2.gz YPJOFSOYORDQFG-QWHCGFSZSA-N 0 3 312.435 1.128 20 10 DDCDHN C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1NCCF ZINC000939833727 716451644 /nfs/dbraw/zinc/45/16/44/716451644.db2.gz XSWKEPCFYCSSHU-GWCFXTLKSA-N 0 3 321.356 1.869 20 10 DDCDHN COc1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)c([O-])c1 ZINC000093088453 740588227 /nfs/dbraw/zinc/58/82/27/740588227.db2.gz LVDJWIIPPKTZGV-UHFFFAOYSA-N 0 3 304.390 1.988 20 10 DDCDHN O=S(=O)(NC1CCN(Cc2ccccc2O)CC1)C1CCC1 ZINC001188160526 744673962 /nfs/dbraw/zinc/67/39/62/744673962.db2.gz DABZMCDZYLPGFW-UHFFFAOYSA-N 0 3 324.446 1.829 20 10 DDCDHN COc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)cc1 ZINC001274791915 852602923 /nfs/dbraw/zinc/60/29/23/852602923.db2.gz WYCZFEPWUJIMHN-IAGOWNOFSA-N 0 3 317.433 1.827 20 10 DDCDHN COc1ccc(N2CC[C@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001274792285 852608971 /nfs/dbraw/zinc/60/89/71/852608971.db2.gz ZOTHHWQEJVONBR-GOSISDBHSA-N 0 3 317.433 1.686 20 10 DDCDHN Cc1ccc(CN2CC3(CCN3CCn3ccnc3)C2)c(O)c1 ZINC001276168241 854872016 /nfs/dbraw/zinc/87/20/16/854872016.db2.gz DCPAJTZNVAGHMW-UHFFFAOYSA-N 0 3 312.417 1.857 20 10 DDCDHN CN1CCCc2cc(CN3C[C@@H]4[C@H](C3)OCCN4C)ccc21 ZINC001138355966 860073674 /nfs/dbraw/zinc/07/36/74/860073674.db2.gz YDZOJSGPWKWQEY-MSOLQXFVSA-N 0 3 301.434 1.584 20 10 DDCDHN Cc1ccc(CN2CCN(c3ncc(O)cn3)CC2)c(O)c1 ZINC001140958329 860745366 /nfs/dbraw/zinc/74/53/66/860745366.db2.gz XZDDSTJUMLIVAA-UHFFFAOYSA-N 0 3 300.362 1.518 20 10 DDCDHN COc1cc([O-])c(C[NH+]2CCC3(CCC(=O)N3)CC2)c(OC)c1 ZINC001141033072 860769011 /nfs/dbraw/zinc/76/90/11/860769011.db2.gz YNKWZHYWDYJMRK-UHFFFAOYSA-N 0 3 320.389 1.654 20 10 DDCDHN CS(=O)(=O)N1C[C@H]2CCCN(Cc3ccccc3O)[C@H]2C1 ZINC001203552998 870635228 /nfs/dbraw/zinc/63/52/28/870635228.db2.gz XUHQCADHJXRMSB-OCCSQVGLSA-N 0 3 310.419 1.248 20 10 DDCDHN CS(=O)(=O)N1C[C@H]2CCC[N@H+](Cc3ccccc3[O-])[C@H]2C1 ZINC001203552998 870635235 /nfs/dbraw/zinc/63/52/35/870635235.db2.gz XUHQCADHJXRMSB-OCCSQVGLSA-N 0 3 310.419 1.248 20 10 DDCDHN CS(=O)(=O)N1C[C@H]2CCC[N@@H+](Cc3ccccc3[O-])[C@H]2C1 ZINC001203552998 870635243 /nfs/dbraw/zinc/63/52/43/870635243.db2.gz XUHQCADHJXRMSB-OCCSQVGLSA-N 0 3 310.419 1.248 20 10 DDCDHN C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(F)ccc1[O-] ZINC000400192022 876497249 /nfs/dbraw/zinc/49/72/49/876497249.db2.gz MKBWLLOSNBSTBC-GXSJLCMTSA-N 0 3 302.371 1.216 20 10 DDCDHN Cc1cc(OC2C[NH2+]C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218052406 877383143 /nfs/dbraw/zinc/38/31/43/877383143.db2.gz HVHDGIHSJCUBMA-UHFFFAOYSA-N 0 3 309.321 1.827 20 10 DDCDHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@@H](O)CO ZINC001231467725 885684615 /nfs/dbraw/zinc/68/46/15/885684615.db2.gz KEJHOLFOOPAMAC-MRXNPFEDSA-N 0 3 317.385 1.756 20 10 DDCDHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C[C@@H](O)CO ZINC001231467725 885684625 /nfs/dbraw/zinc/68/46/25/885684625.db2.gz KEJHOLFOOPAMAC-MRXNPFEDSA-N 0 3 317.385 1.756 20 10 DDCDHN COc1cc(CN2C[C@@H]3COC[C@H](C2)C3(F)F)c(O)cc1O ZINC001231637577 885776233 /nfs/dbraw/zinc/77/62/33/885776233.db2.gz NDWLLPAHMONLLQ-PHIMTYICSA-N 0 3 315.316 1.820 20 10 DDCDHN COc1cc([O-])c(C[NH2+]C23CC(C(=O)N(C)C)(C2)C3)c(OC)c1 ZINC001277588458 885949884 /nfs/dbraw/zinc/94/98/84/885949884.db2.gz LOXYWKVTFDTYHD-UHFFFAOYSA-N 0 3 320.389 1.510 20 10 DDCDHN COc1cc(C)c(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001236807608 889363320 /nfs/dbraw/zinc/36/33/20/889363320.db2.gz GELLCBJFCXFJGA-KRWDZBQOSA-N 0 3 304.390 1.811 20 10 DDCDHN COc1cc(C)c(C[N@H+]2CCC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001236807608 889363337 /nfs/dbraw/zinc/36/33/37/889363337.db2.gz GELLCBJFCXFJGA-KRWDZBQOSA-N 0 3 304.390 1.811 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c([O-])c1 ZINC001237050923 889481640 /nfs/dbraw/zinc/48/16/40/889481640.db2.gz YQBPSGJTSKQNMG-CQSZACIVSA-N 0 3 307.390 1.907 20 10 DDCDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1c(C)cccc1[O-])C2 ZINC001237486369 889662505 /nfs/dbraw/zinc/66/25/05/889662505.db2.gz RJFVAOCFVKTTHU-NVXWUHKLSA-N 0 3 304.390 1.428 20 10 DDCDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1c(C)cccc1[O-])C2 ZINC001237486369 889662510 /nfs/dbraw/zinc/66/25/10/889662510.db2.gz RJFVAOCFVKTTHU-NVXWUHKLSA-N 0 3 304.390 1.428 20 10 DDCDHN CCNC(=O)COC1CC[NH+](Cc2cc(F)cc(C)c2[O-])CC1 ZINC001238067544 890011567 /nfs/dbraw/zinc/01/15/67/890011567.db2.gz UUZKRJRSWUWCGZ-UHFFFAOYSA-N 0 3 324.396 1.957 20 10 DDCDHN O=C(Nc1nnco1)C12CC([NH2+]Cc3cc(F)ccc3[O-])(C1)C2 ZINC001278248762 890267110 /nfs/dbraw/zinc/26/71/10/890267110.db2.gz OJZSIUBZGHAJKG-UHFFFAOYSA-N 0 3 318.308 1.565 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001249179034 893856518 /nfs/dbraw/zinc/85/65/18/893856518.db2.gz ZDGKTLCFWVKPFG-YVEFUNNKSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001249179034 893856529 /nfs/dbraw/zinc/85/65/29/893856529.db2.gz ZDGKTLCFWVKPFG-YVEFUNNKSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2CN(C)C)c([O-])c1 ZINC001249201311 893861401 /nfs/dbraw/zinc/86/14/01/893861401.db2.gz NTTPCTWSNQGWCA-HNNXBMFYSA-N 0 3 306.406 1.634 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H]2CN(C)C)c([O-])c1 ZINC001249201311 893861417 /nfs/dbraw/zinc/86/14/17/893861417.db2.gz NTTPCTWSNQGWCA-HNNXBMFYSA-N 0 3 306.406 1.634 20 10 DDCDHN COC(=O)Cc1ccc(CN2CC(CC(=O)OC)C2)c(O)c1 ZINC001249201078 893862120 /nfs/dbraw/zinc/86/21/20/893862120.db2.gz DCBNOJZTDWOUHQ-UHFFFAOYSA-N 0 3 307.346 1.103 20 10 DDCDHN CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@@H](O)C2)c([O-])c1 ZINC001249724268 894111147 /nfs/dbraw/zinc/11/11/47/894111147.db2.gz GOMKFGHIFZFBBT-CQSZACIVSA-N 0 3 323.389 1.681 20 10 DDCDHN CCOC(=O)CCCOc1ccc(C[N@H+]2CC[C@@H](O)C2)c([O-])c1 ZINC001249724268 894111156 /nfs/dbraw/zinc/11/11/56/894111156.db2.gz GOMKFGHIFZFBBT-CQSZACIVSA-N 0 3 323.389 1.681 20 10 DDCDHN [O-]c1ccccc1C[N@H+](CCN1CCOCC1)C[C@@H]1CCCO1 ZINC000070976391 353187378 /nfs/dbraw/zinc/18/73/78/353187378.db2.gz UNJKSMJMGXWOKT-KRWDZBQOSA-N 0 3 320.433 1.705 20 10 DDCDHN [O-]c1ccccc1C[N@@H+](CCN1CCOCC1)C[C@@H]1CCCO1 ZINC000070976391 353187380 /nfs/dbraw/zinc/18/73/80/353187380.db2.gz UNJKSMJMGXWOKT-KRWDZBQOSA-N 0 3 320.433 1.705 20 10 DDCDHN CS[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1N(C)C ZINC000272676044 130053081 /nfs/dbraw/zinc/05/30/81/130053081.db2.gz RFDNVIPAQSWKPI-QKOWSDGPSA-N 0 3 322.430 1.615 20 10 DDCDHN CN(C)c1ccc(CN2CCC(CS(N)(=O)=O)CC2)cc1 ZINC000272710437 130055295 /nfs/dbraw/zinc/05/52/95/130055295.db2.gz CNYLJCYNSHNLBL-UHFFFAOYSA-N 0 3 311.451 1.253 20 10 DDCDHN CS(=O)(=O)NCC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000289105748 131359267 /nfs/dbraw/zinc/35/92/67/131359267.db2.gz CLZXXSNQNQEFAI-UHFFFAOYSA-N 0 3 316.398 1.293 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000271782037 407731114 /nfs/dbraw/zinc/73/11/14/407731114.db2.gz DXXBKLAIGGTPIN-YJBOKZPZSA-N 0 3 317.385 1.975 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000273610354 408266349 /nfs/dbraw/zinc/26/63/49/408266349.db2.gz VPDSNZIOZKYNSZ-STQMWFEESA-N 0 3 312.435 1.775 20 10 DDCDHN CC(C)[C@@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000269239329 408235377 /nfs/dbraw/zinc/23/53/77/408235377.db2.gz IOPKIPCRYULITF-MRXNPFEDSA-N 0 3 323.412 1.386 20 10 DDCDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC000183617263 408455981 /nfs/dbraw/zinc/45/59/81/408455981.db2.gz PVBMMSYEFSDDLW-NEPJUHHUSA-N 0 3 302.378 1.796 20 10 DDCDHN CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc3c(cc2[O-])OCO3)C1(C)C ZINC000275893007 408712520 /nfs/dbraw/zinc/71/25/20/408712520.db2.gz YGBUIZOXHDYXNV-RDJZCZTQSA-N 0 3 323.389 1.777 20 10 DDCDHN CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC(C)(C)O ZINC000178227795 408791213 /nfs/dbraw/zinc/79/12/13/408791213.db2.gz TWFAZBBCGORBIS-UHFFFAOYSA-N 0 3 321.465 1.804 20 10 DDCDHN Cc1cc(O)c(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000291853129 408934138 /nfs/dbraw/zinc/93/41/38/408934138.db2.gz IBDHWXKMHPLKKM-CQSZACIVSA-N 0 3 312.435 1.475 20 10 DDCDHN COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000278745584 409088094 /nfs/dbraw/zinc/08/80/94/409088094.db2.gz RQOSBRUCPWUEGM-ZBFHGGJFSA-N 0 3 309.406 1.546 20 10 DDCDHN COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000278745584 409088099 /nfs/dbraw/zinc/08/80/99/409088099.db2.gz RQOSBRUCPWUEGM-ZBFHGGJFSA-N 0 3 309.406 1.546 20 10 DDCDHN O=C1CO[C@@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@H]2N1 ZINC000373769268 418458022 /nfs/dbraw/zinc/45/80/22/418458022.db2.gz URFCUMZDLDSXSL-NVXWUHKLSA-N 0 3 312.369 1.635 20 10 DDCDHN O=C1CO[C@@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C[C@H]2N1 ZINC000373769268 418458025 /nfs/dbraw/zinc/45/80/25/418458025.db2.gz URFCUMZDLDSXSL-NVXWUHKLSA-N 0 3 312.369 1.635 20 10 DDCDHN CCN(CCNC(=O)NCc1ccc2c(c1)CCN2C)C1CC1 ZINC000369954656 418739764 /nfs/dbraw/zinc/73/97/64/418739764.db2.gz KEVOEODPOCSHPG-UHFFFAOYSA-N 0 3 316.449 1.962 20 10 DDCDHN COc1cccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1[O-] ZINC000370079674 418740874 /nfs/dbraw/zinc/74/08/74/418740874.db2.gz ANKSTGZOPAITTJ-UHFFFAOYSA-N 0 3 304.390 1.845 20 10 DDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000371093543 418762044 /nfs/dbraw/zinc/76/20/44/418762044.db2.gz LDNHKNLFYAZSRT-CXAGYDPISA-N 0 3 317.389 1.511 20 10 DDCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000368605838 418722670 /nfs/dbraw/zinc/72/26/70/418722670.db2.gz ZFKJRVBKCRHHDP-WMLDXEAASA-N 0 3 321.440 1.989 20 10 DDCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@H]1N1CCN(C)CC1 ZINC000368605838 418722671 /nfs/dbraw/zinc/72/26/71/418722671.db2.gz ZFKJRVBKCRHHDP-WMLDXEAASA-N 0 3 321.440 1.989 20 10 DDCDHN CCOc1cccc(CN2CCC(S(N)(=O)=O)CC2)c1O ZINC000369045177 418728194 /nfs/dbraw/zinc/72/81/94/418728194.db2.gz FIQJLSFXRXVWOC-UHFFFAOYSA-N 0 3 314.407 1.044 20 10 DDCDHN CN1CCc2cc(CNC(=O)NCCN3CCCCC3)ccc21 ZINC000372259830 418847820 /nfs/dbraw/zinc/84/78/20/418847820.db2.gz DBJHIXKHKNYAIQ-UHFFFAOYSA-N 0 3 316.449 1.964 20 10 DDCDHN CN(C)C(=O)CN1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000373126645 418929277 /nfs/dbraw/zinc/92/92/77/418929277.db2.gz PQQUGIIEVJODQK-UHFFFAOYSA-N 0 3 309.385 1.127 20 10 DDCDHN CCN1CCC(NC(=O)NCc2cccc(OC)c2O)CC1 ZINC000266075519 521575088 /nfs/dbraw/zinc/57/50/88/521575088.db2.gz DPBQUAMJZKVWLO-UHFFFAOYSA-N 0 3 307.394 1.684 20 10 DDCDHN CN1CCCc2cc(CNC(=O)CNC[C@H]3CCCO3)ccc21 ZINC000237128396 523859861 /nfs/dbraw/zinc/85/98/61/523859861.db2.gz VPGBHQNBHKVIKL-MRXNPFEDSA-N 0 3 317.433 1.454 20 10 DDCDHN CCN1CCN([C@@H]2CC[N@H+](Cc3cccc(F)c3[O-])C2)CC1 ZINC000272297510 535736007 /nfs/dbraw/zinc/73/60/07/535736007.db2.gz PCSXCOZIUBTMIL-OAHLLOKOSA-N 0 3 307.413 1.743 20 10 DDCDHN CCN1CCN([C@@H]2CC[N@@H+](Cc3cccc(F)c3[O-])C2)CC1 ZINC000272297510 535736011 /nfs/dbraw/zinc/73/60/11/535736011.db2.gz PCSXCOZIUBTMIL-OAHLLOKOSA-N 0 3 307.413 1.743 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)c([O-])c1 ZINC000036828133 696131111 /nfs/dbraw/zinc/13/11/11/696131111.db2.gz YJNVBFRLJVHIDW-GFCCVEGCSA-N 0 3 312.435 1.775 20 10 DDCDHN CCN1CCN([C@H](C)CNC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000179495662 697438384 /nfs/dbraw/zinc/43/83/84/697438384.db2.gz QVLJPIQNNATIFF-CYBMUJFWSA-N 0 3 321.421 1.162 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC2CCOCC2)c1 ZINC000182434302 697475043 /nfs/dbraw/zinc/47/50/43/697475043.db2.gz VOEWOGLDDFYZJM-LLVKDONJSA-N 0 3 308.378 1.347 20 10 DDCDHN CCCS(=O)(=O)CCN[C@H](C)c1cc(OC)ccc1O ZINC000182463495 697475476 /nfs/dbraw/zinc/47/54/76/697475476.db2.gz ZELATYKMSGJQJC-LLVKDONJSA-N 0 3 301.408 1.876 20 10 DDCDHN CC[N@H+](CCO)Cc1cc(Br)cc(OC)c1[O-] ZINC000305737854 698652888 /nfs/dbraw/zinc/65/28/88/698652888.db2.gz VNYISKLWZAUODB-UHFFFAOYSA-N 0 3 304.184 1.978 20 10 DDCDHN CC[N@@H+](CCO)Cc1cc(Br)cc(OC)c1[O-] ZINC000305737854 698652889 /nfs/dbraw/zinc/65/28/89/698652889.db2.gz VNYISKLWZAUODB-UHFFFAOYSA-N 0 3 304.184 1.978 20 10 DDCDHN CS(=O)(=O)C1(CNCc2ccc(N3CCOCC3)cc2)CC1 ZINC000393680505 699103879 /nfs/dbraw/zinc/10/38/79/699103879.db2.gz YRDWCNKKTHDHSR-UHFFFAOYSA-N 0 3 324.446 1.190 20 10 DDCDHN COCCCn1nccc1CNCc1ccc(OC)cc1O ZINC000802650927 700415276 /nfs/dbraw/zinc/41/52/76/700415276.db2.gz FHYRCAUQVNACFO-UHFFFAOYSA-N 0 3 305.378 1.924 20 10 DDCDHN COCCCn1nccc1C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000802650927 700415277 /nfs/dbraw/zinc/41/52/77/700415277.db2.gz FHYRCAUQVNACFO-UHFFFAOYSA-N 0 3 305.378 1.924 20 10 DDCDHN C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1cc(Br)ccc1[O-] ZINC000756558264 700628284 /nfs/dbraw/zinc/62/82/84/700628284.db2.gz ZDGTVNLZZPQGCQ-KOLCDFICSA-N 0 3 317.227 1.728 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)c([O-])c1 ZINC000756608976 700631205 /nfs/dbraw/zinc/63/12/05/700631205.db2.gz RGTXJSODEOKYTM-LBPRGKRZSA-N 0 3 313.419 1.291 20 10 DDCDHN OC[C@H](CC(F)(F)F)NCc1ccc(N2CCOCC2)cc1 ZINC000756996870 700651888 /nfs/dbraw/zinc/65/18/88/700651888.db2.gz RPVDGIAHABOXLE-ZDUSSCGKSA-N 0 3 318.339 1.926 20 10 DDCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2nnc(C)[nH]2)c1 ZINC000757635957 700666928 /nfs/dbraw/zinc/66/69/28/700666928.db2.gz CHEPXIKEILBPQH-SECBINFHSA-N 0 3 304.350 1.499 20 10 DDCDHN NC(=O)CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768452875 701178396 /nfs/dbraw/zinc/17/83/96/701178396.db2.gz UQTCQSVYAUACKA-NHYWBVRUSA-N 0 3 320.389 1.296 20 10 DDCDHN NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768452875 701178399 /nfs/dbraw/zinc/17/83/99/701178399.db2.gz UQTCQSVYAUACKA-NHYWBVRUSA-N 0 3 320.389 1.296 20 10 DDCDHN Nc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000841032935 702316401 /nfs/dbraw/zinc/31/64/01/702316401.db2.gz KFSIJASUMMAWEF-HNNXBMFYSA-N 0 3 316.405 1.294 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CNCCO2)c1[O-] ZINC000841099428 702345525 /nfs/dbraw/zinc/34/55/25/702345525.db2.gz PVSIDXVGQYSCTR-LBPRGKRZSA-N 0 3 315.211 1.541 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCc3nnnn3CC2)c1[O-] ZINC000817418785 702376062 /nfs/dbraw/zinc/37/60/62/702376062.db2.gz GJFPZZALFJKQEG-NSHDSACASA-N 0 3 323.784 1.535 20 10 DDCDHN Cc1cc([O-])c(CN2CCN([C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000843124662 702824660 /nfs/dbraw/zinc/82/46/60/702824660.db2.gz JEUASOMLOGYZKS-ZDUSSCGKSA-N 0 3 309.841 1.834 20 10 DDCDHN COCCOCCN1CCN(Cc2cc(C)ccc2O)CC1 ZINC000846116817 703239376 /nfs/dbraw/zinc/23/93/76/703239376.db2.gz KECHGAVNCFQXPC-UHFFFAOYSA-N 0 3 308.422 1.481 20 10 DDCDHN COc1cccc([C@H](C)NCCS(=O)(=O)C(C)C)c1O ZINC000846173229 703246594 /nfs/dbraw/zinc/24/65/94/703246594.db2.gz PUZITAYATFYLHJ-NSHDSACASA-N 0 3 301.408 1.875 20 10 DDCDHN CN(CCN1CCCCC1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000846330780 703265710 /nfs/dbraw/zinc/26/57/10/703265710.db2.gz PAPWOXGRMBMZSL-UHFFFAOYSA-N 0 3 304.394 1.152 20 10 DDCDHN COc1cc(CNCCS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850094311 703703131 /nfs/dbraw/zinc/70/31/31/703703131.db2.gz HZGYCXPOUVEYGV-UHFFFAOYSA-N 0 3 315.435 1.833 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](n3ccnn3)C1)[C@@H](O)CO2 ZINC000819895980 704182874 /nfs/dbraw/zinc/18/28/74/704182874.db2.gz CSWFHOZCWOACEW-WFASDCNBSA-N 0 3 316.361 1.247 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](n3ccnn3)C1)[C@@H](O)CO2 ZINC000819895980 704182876 /nfs/dbraw/zinc/18/28/76/704182876.db2.gz CSWFHOZCWOACEW-WFASDCNBSA-N 0 3 316.361 1.247 20 10 DDCDHN Oc1cc2c(cc1CN1CCC[C@H](n3ccnn3)C1)[C@@H](O)CO2 ZINC000819895980 704182878 /nfs/dbraw/zinc/18/28/78/704182878.db2.gz CSWFHOZCWOACEW-WFASDCNBSA-N 0 3 316.361 1.247 20 10 DDCDHN COCCN1CC[C@@H](NC(=O)NCc2cc(C)ccc2O)C1 ZINC000858236355 704683236 /nfs/dbraw/zinc/68/32/36/704683236.db2.gz JYMMONWOOZMYDT-CQSZACIVSA-N 0 3 307.394 1.221 20 10 DDCDHN COc1cc(CN2C[C@H](O)C[C@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000825548158 705691254 /nfs/dbraw/zinc/69/12/54/705691254.db2.gz CYFZSVOFXDFOLZ-QWHCGFSZSA-N 0 3 309.406 1.626 20 10 DDCDHN CN(C)c1ccc(CN2C[C@](C)(CO)[C@](C)(CO)C2)cc1F ZINC000862519141 705725958 /nfs/dbraw/zinc/72/59/58/705725958.db2.gz TZIWAMCYXJVNOJ-CALCHBBNSA-N 0 3 310.413 1.705 20 10 DDCDHN COCCN(CCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876683851 705818158 /nfs/dbraw/zinc/81/81/58/705818158.db2.gz YEHXSQKKXUTOCB-UHFFFAOYSA-N 0 3 308.422 1.088 20 10 DDCDHN COc1cc(O)c(CN2CCC[C@](CO)(OC)C2)cc1OC ZINC000826953003 705898405 /nfs/dbraw/zinc/89/84/05/705898405.db2.gz ZGAHEVXHEINJLT-INIZCTEOSA-N 0 3 311.378 1.383 20 10 DDCDHN COc1ccc(O)c(CN2CC[C@H](N(C)C(=O)N(C)C)C2)c1 ZINC000827544964 706023465 /nfs/dbraw/zinc/02/34/65/706023465.db2.gz POHJSOLGCZUMHW-ZDUSSCGKSA-N 0 3 307.394 1.589 20 10 DDCDHN CC(=O)NC[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000877675108 706176815 /nfs/dbraw/zinc/17/68/15/706176815.db2.gz PSQVSIQPJPJUPO-CYBMUJFWSA-N 0 3 306.362 1.612 20 10 DDCDHN C[C@H](O)[C@@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000865739981 706511955 /nfs/dbraw/zinc/51/19/55/706511955.db2.gz YRCOOIOPORFBCY-ZANVPECISA-N 0 3 306.328 1.603 20 10 DDCDHN COc1ccc(CNC(=O)[C@@H]2CNCc3ccccc32)c(O)c1 ZINC000832177873 706862207 /nfs/dbraw/zinc/86/22/07/706862207.db2.gz ILHNPYRCOFFWHO-MRXNPFEDSA-N 0 3 312.369 1.904 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c([O-])c1 ZINC000883403615 707992108 /nfs/dbraw/zinc/99/21/08/707992108.db2.gz YOCMULSQASHAGV-CQSZACIVSA-N 0 3 304.390 1.891 20 10 DDCDHN C[C@H]1NC(=S)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000899225647 709026803 /nfs/dbraw/zinc/02/68/03/709026803.db2.gz XGEOORGZWOWYKR-RISCZKNCSA-N 0 3 320.462 1.461 20 10 DDCDHN COc1ccc(N2CCCN(C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC000900293351 709524762 /nfs/dbraw/zinc/52/47/62/709524762.db2.gz DJTAGMWKGZIDNH-UHFFFAOYSA-N 0 3 314.389 1.700 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2csnn2)N(C)C)cc1 ZINC000891252159 710142493 /nfs/dbraw/zinc/14/24/93/710142493.db2.gz HJBDIADRSGCAOJ-AWEZNQCLSA-N 0 3 319.434 1.637 20 10 DDCDHN CO[C@@H](C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254965 710143222 /nfs/dbraw/zinc/14/32/22/710143222.db2.gz LFAOBEJKHALBBM-XJKSGUPXSA-N 0 3 307.438 1.897 20 10 DDCDHN C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)n1 ZINC000903449404 711131208 /nfs/dbraw/zinc/13/12/08/711131208.db2.gz YITZYPFVQJFSGF-SUMWQHHRSA-N 0 3 316.453 1.835 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000914160640 713350614 /nfs/dbraw/zinc/35/06/14/713350614.db2.gz HVQFYMIDRGWXBH-LLVKDONJSA-N 0 3 307.369 1.815 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000914160640 713350616 /nfs/dbraw/zinc/35/06/16/713350616.db2.gz HVQFYMIDRGWXBH-LLVKDONJSA-N 0 3 307.369 1.815 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cccnn2)c1 ZINC000930216311 713779734 /nfs/dbraw/zinc/77/97/34/713779734.db2.gz DKBIMGHWBQPZLA-JTQLQIEISA-N 0 3 302.334 1.480 20 10 DDCDHN [NH3+][C@H]1CC[C@H](N(C(=O)c2cccc(O)c2[O-])C2COC2)CC1 ZINC001148224860 773402193 /nfs/dbraw/zinc/40/21/93/773402193.db2.gz XQUAWROGFMKZIU-XYPYZODXSA-N 0 3 306.362 1.209 20 10 DDCDHN [NH3+]CCN(C(=O)c1cc(O)c([O-])c(O)c1)c1ccc(F)cc1 ZINC001148591405 773542580 /nfs/dbraw/zinc/54/25/80/773542580.db2.gz ZMLXZYMIGJITBA-UHFFFAOYSA-N 0 3 306.293 1.548 20 10 DDCDHN O=C(C1CCC1)N1CCCN(Cc2ccc(O)cc2O)CC1 ZINC001204274949 779816805 /nfs/dbraw/zinc/81/68/05/779816805.db2.gz JZANEIXGYBCSEU-UHFFFAOYSA-N 0 3 304.390 1.932 20 10 DDCDHN O=C1N(C2COC2)CC[C@]12CCCN2Cc1ccc(O)cc1O ZINC001272988453 847749828 /nfs/dbraw/zinc/74/98/28/847749828.db2.gz RYBJHKVXARMUTN-QGZVFWFLSA-N 0 3 318.373 1.064 20 10 DDCDHN CN1CC[C@@]2(CCCN(Cc3cc(O)c(O)c(O)c3)CC2)C1=O ZINC001274837515 852627902 /nfs/dbraw/zinc/62/79/02/852627902.db2.gz YWGXABIUCWUOBA-QGZVFWFLSA-N 0 3 320.389 1.638 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c([O-])c1 ZINC000768893463 881364185 /nfs/dbraw/zinc/36/41/85/881364185.db2.gz QXIJFVRAKRBXAK-OAHLLOKOSA-N 0 3 306.406 1.697 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c([O-])c1 ZINC000768893463 881364204 /nfs/dbraw/zinc/36/42/04/881364204.db2.gz QXIJFVRAKRBXAK-OAHLLOKOSA-N 0 3 306.406 1.697 20 10 DDCDHN CCN1CCN(c2ccc(CN3CCCC(=O)C3)cc2)CC1 ZINC001140304618 860614501 /nfs/dbraw/zinc/61/45/01/860614501.db2.gz WCOHVVLNDMSFEF-UHFFFAOYSA-N 0 3 301.434 1.993 20 10 DDCDHN CN1CCOc2cc(CN3CCC[C@H](n4cncn4)C3)ccc21 ZINC001141144078 860795105 /nfs/dbraw/zinc/79/51/05/860795105.db2.gz VWXSFKRCTPNBPL-HNNXBMFYSA-N 0 3 313.405 1.944 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001161130378 866394020 /nfs/dbraw/zinc/39/40/20/866394020.db2.gz HOBKVTXEBAOMRF-MRXNPFEDSA-N 0 3 315.421 1.394 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)Cc1cnc[nH]1 ZINC001161130378 866394029 /nfs/dbraw/zinc/39/40/29/866394029.db2.gz HOBKVTXEBAOMRF-MRXNPFEDSA-N 0 3 315.421 1.394 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@@]2(F)CCOC2)N(C)C)cc1 ZINC001333624581 866881648 /nfs/dbraw/zinc/88/16/48/866881648.db2.gz GPRXUDPTZLQSFS-DOTOQJQBSA-N 0 3 323.412 1.600 20 10 DDCDHN COc1ccc(C[N@@H+]2CCc3ncnc(OC)c3CC2)c([O-])c1 ZINC001203622850 870677579 /nfs/dbraw/zinc/67/75/79/870677579.db2.gz CWMYMBAJOHWYDD-UHFFFAOYSA-N 0 3 315.373 1.800 20 10 DDCDHN COc1ccc(C[N@H+]2CCc3ncnc(OC)c3CC2)c([O-])c1 ZINC001203622850 870677587 /nfs/dbraw/zinc/67/75/87/870677587.db2.gz CWMYMBAJOHWYDD-UHFFFAOYSA-N 0 3 315.373 1.800 20 10 DDCDHN CCN(C)C(=O)CO[C@H]1CCCN(Cc2ccc(O)cc2O)C1 ZINC001204283060 871039816 /nfs/dbraw/zinc/03/98/16/871039816.db2.gz XXGKIXYDAYOVFB-HNNXBMFYSA-N 0 3 322.405 1.557 20 10 DDCDHN C[C@@H](NCc1ccc(S(N)(=O)=O)s1)c1ccccc1O ZINC001308506155 871502862 /nfs/dbraw/zinc/50/28/62/871502862.db2.gz NKSIYBXPCAVRDR-SECBINFHSA-N 0 3 312.416 1.952 20 10 DDCDHN CCOCCN1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001308662295 871518613 /nfs/dbraw/zinc/51/86/13/871518613.db2.gz HVMODUFZRULBJN-UHFFFAOYSA-N 0 3 300.349 1.825 20 10 DDCDHN O=C(N1CCCCO1)[C@@]12C[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001276914898 881075796 /nfs/dbraw/zinc/07/57/96/881075796.db2.gz WENCLVOTXVBRJV-CXAGYDPISA-N 0 3 318.373 1.474 20 10 DDCDHN Cc1cc(CN2CC3(C2)CCOC[C@@H]3C(N)=O)ccc1N(C)C ZINC001276929161 881135226 /nfs/dbraw/zinc/13/52/26/881135226.db2.gz MWYVUQDQQLWJKI-OAHLLOKOSA-N 0 3 317.433 1.385 20 10 DDCDHN CN(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO[C@H]21 ZINC001277441250 884293587 /nfs/dbraw/zinc/29/35/87/884293587.db2.gz JZZUGXYHHXHPJO-HLLBOEOZSA-N 0 3 318.417 1.707 20 10 DDCDHN CN(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO[C@H]21 ZINC001277441250 884293604 /nfs/dbraw/zinc/29/36/04/884293604.db2.gz JZZUGXYHHXHPJO-HLLBOEOZSA-N 0 3 318.417 1.707 20 10 DDCDHN COc1cc(CN2CCC(N(C)C(C)=O)CC2)c(O)cc1O ZINC001231638151 885775601 /nfs/dbraw/zinc/77/56/01/885775601.db2.gz WAMUPLUSDYMWQQ-UHFFFAOYSA-N 0 3 308.378 1.549 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](CO)[C@@H](O)C3)c2c1 ZINC001234525176 888052723 /nfs/dbraw/zinc/05/27/23/888052723.db2.gz BVAYWNLRVBYSBN-ACJLOTCBSA-N 0 3 317.385 1.729 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](CO)[C@@H](O)C3)c2c1 ZINC001234525176 888052740 /nfs/dbraw/zinc/05/27/40/888052740.db2.gz BVAYWNLRVBYSBN-ACJLOTCBSA-N 0 3 317.385 1.729 20 10 DDCDHN COc1cc([O-])c(CN2CC[C@H]([NH3+])C2)c(Br)c1 ZINC001236173301 889125415 /nfs/dbraw/zinc/12/54/15/889125415.db2.gz IFBKXPXJKBINLO-QMMMGPOBSA-N 0 3 301.184 1.696 20 10 DDCDHN COc1cc(CN2CCC3(CCOC3=O)CC2)c(O)c(OC)c1 ZINC001237680856 889802622 /nfs/dbraw/zinc/80/26/22/889802622.db2.gz MQEMUOSVSSUCKP-UHFFFAOYSA-N 0 3 321.373 1.939 20 10 DDCDHN Oc1ccc(CNC[C@@H](O)COCc2ccccc2)cc1O ZINC001252303754 895071934 /nfs/dbraw/zinc/07/19/34/895071934.db2.gz UBWCTIGBRGNUPG-OAHLLOKOSA-N 0 3 303.358 1.765 20 10 DDCDHN COc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001252904768 895533522 /nfs/dbraw/zinc/53/35/22/895533522.db2.gz FHPDNRLORZCFQG-CQSZACIVSA-N 0 3 319.357 1.636 20 10 DDCDHN O=C1C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@@H]2CCCCN12 ZINC000369212353 223617567 /nfs/dbraw/zinc/61/75/67/223617567.db2.gz DEKWZZBUZUDGNR-NEPJUHHUSA-N 0 3 304.346 1.364 20 10 DDCDHN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1=CCN(C)CC1 ZINC000272745606 130060076 /nfs/dbraw/zinc/06/00/76/130060076.db2.gz DHQLPWONCPDCFE-FUEXJSSKSA-N 0 3 302.374 1.878 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)c([O-])c1 ZINC000273361791 130111576 /nfs/dbraw/zinc/11/15/76/130111576.db2.gz ANHPEEPJKHMFJR-UKRRQHHQSA-N 0 3 305.422 1.691 20 10 DDCDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000274414211 130233048 /nfs/dbraw/zinc/23/30/48/130233048.db2.gz FGERXBIFIDWWHS-LLVKDONJSA-N 0 3 308.334 1.441 20 10 DDCDHN CCOc1cccc(CN2CCN(C[C@H](C)O)C[C@H]2C)c1O ZINC000284218064 131060066 /nfs/dbraw/zinc/06/00/66/131060066.db2.gz CQAAYMFLQWYAMQ-KGLIPLIRSA-N 0 3 308.422 1.678 20 10 DDCDHN Cc1cc(C)c([C@H](C)[NH2+]CCOCCS(C)(=O)=O)c([O-])c1 ZINC000285338315 131159010 /nfs/dbraw/zinc/15/90/10/131159010.db2.gz UQMDWARYDPEGRN-ZDUSSCGKSA-N 0 3 315.435 1.721 20 10 DDCDHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)CN1CCN(C)CC1 ZINC000297540330 132022173 /nfs/dbraw/zinc/02/21/73/132022173.db2.gz FANFBFHZJCCQBE-ZBFHGGJFSA-N 0 3 303.450 1.853 20 10 DDCDHN CCC[N@H+](CCCN1C(=O)CNC1=O)Cc1ccccc1[O-] ZINC000068973527 406674957 /nfs/dbraw/zinc/67/49/57/406674957.db2.gz PUKOPOAOWQBCMT-UHFFFAOYSA-N 0 3 305.378 1.546 20 10 DDCDHN CCC[N@@H+](CCCN1C(=O)CNC1=O)Cc1ccccc1[O-] ZINC000068973527 406674961 /nfs/dbraw/zinc/67/49/61/406674961.db2.gz PUKOPOAOWQBCMT-UHFFFAOYSA-N 0 3 305.378 1.546 20 10 DDCDHN COCCOCCN1CCCN(c2ccc(OC)cc2)CC1 ZINC000079401229 407053810 /nfs/dbraw/zinc/05/38/10/407053810.db2.gz OCIMXIKPCIAZKZ-UHFFFAOYSA-N 0 3 308.422 1.870 20 10 DDCDHN COc1cc(O)c(CNC[C@@](C)(O)C(F)(F)F)cc1OC ZINC000271803197 407731622 /nfs/dbraw/zinc/73/16/22/407731622.db2.gz JLEOHZQFXWQFGB-GFCCVEGCSA-N 0 3 309.284 1.812 20 10 DDCDHN O=C([C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)N1CCOCC1 ZINC000179903179 407843244 /nfs/dbraw/zinc/84/32/44/407843244.db2.gz ATTMOQJDOWYOAI-ZDUSSCGKSA-N 0 3 322.380 1.602 20 10 DDCDHN O=C([C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)N1CCOCC1 ZINC000179903179 407843250 /nfs/dbraw/zinc/84/32/50/407843250.db2.gz ATTMOQJDOWYOAI-ZDUSSCGKSA-N 0 3 322.380 1.602 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000273610348 408266532 /nfs/dbraw/zinc/26/65/32/408266532.db2.gz VPDSNZIOZKYNSZ-CHWSQXEVSA-N 0 3 312.435 1.775 20 10 DDCDHN CNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000192752775 408640975 /nfs/dbraw/zinc/64/09/75/408640975.db2.gz YNTBUQQQHYEQET-ZDUSSCGKSA-N 0 3 305.422 1.562 20 10 DDCDHN C[C@@H]1CN(CCCCNC(=O)Cc2ccc(N)cc2)C[C@H](C)O1 ZINC000165558818 408811585 /nfs/dbraw/zinc/81/15/85/408811585.db2.gz GJUSWYIJHBXSHA-GASCZTMLSA-N 0 3 319.449 1.817 20 10 DDCDHN COCC[C@H](CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000281399991 408885045 /nfs/dbraw/zinc/88/50/45/408885045.db2.gz XKCUVCUNGONZHX-GFCCVEGCSA-N 0 3 318.211 1.950 20 10 DDCDHN CO[C@@H]1CCCC[C@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000277032844 408904389 /nfs/dbraw/zinc/90/43/89/408904389.db2.gz SGXHXJAQMPGUJT-IAGOWNOFSA-N 0 3 319.449 1.916 20 10 DDCDHN CCN1CCN(CCC[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000296108077 409431652 /nfs/dbraw/zinc/43/16/52/409431652.db2.gz USBIEIVDHPPENO-INIZCTEOSA-N 0 3 303.450 1.997 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000296627423 409628508 /nfs/dbraw/zinc/62/85/08/409628508.db2.gz XFUBTVVZQQXHCE-CHWSQXEVSA-N 0 3 314.451 1.987 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000296639557 409629614 /nfs/dbraw/zinc/62/96/14/409629614.db2.gz XZXVUXLXOHSHEJ-NEPJUHHUSA-N 0 3 300.424 1.679 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000377714062 418714162 /nfs/dbraw/zinc/71/41/62/418714162.db2.gz DPUNFDKBVCBRDC-ZDUSSCGKSA-N 0 3 317.389 1.860 20 10 DDCDHN C[C@@H]1C[C@@H]1N1C[C@@H](NCc2cc3c(cc2O)OCO3)CC1=O ZINC000363264578 418763824 /nfs/dbraw/zinc/76/38/24/418763824.db2.gz OUHZXWXKMLSXBT-USWWRNFRSA-N 0 3 304.346 1.220 20 10 DDCDHN OCCn1ncc2c1CCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000361901149 418724209 /nfs/dbraw/zinc/72/42/09/418724209.db2.gz UHCWQHWWHNQOQB-MRXNPFEDSA-N 0 3 313.401 1.978 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H](CO)C(C)(C)C)cc1 ZINC000265452434 522191536 /nfs/dbraw/zinc/19/15/36/522191536.db2.gz UODZOXDKMOHELT-HNNXBMFYSA-N 0 3 307.438 1.365 20 10 DDCDHN COc1cc(O)c(CN2CCC(CC(N)=O)CC2)cc1OC ZINC000159870903 522775634 /nfs/dbraw/zinc/77/56/34/522775634.db2.gz QCQYTLNRTSCGHL-UHFFFAOYSA-N 0 3 308.378 1.497 20 10 DDCDHN COC(=O)[C@@H]1CC12CC[NH+](Cc1cc3c(cc1[O-])OCO3)CC2 ZINC000265071900 523672566 /nfs/dbraw/zinc/67/25/66/523672566.db2.gz PJESUTZLJKVWAQ-LBPRGKRZSA-N 0 3 319.357 1.896 20 10 DDCDHN C[C@@H](NCC(=O)NC(=O)NC1CC1)c1ccc(N(C)C)cc1 ZINC000775829975 698042565 /nfs/dbraw/zinc/04/25/65/698042565.db2.gz BWIBUCDAVBGTRV-LLVKDONJSA-N 0 3 304.394 1.391 20 10 DDCDHN C[C@@H](NCC(=O)N1CCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000775835614 698042760 /nfs/dbraw/zinc/04/27/60/698042760.db2.gz VJZXOCKNYZGOTB-UONOGXRCSA-N 0 3 305.422 1.651 20 10 DDCDHN C[C@H](NCC(=O)N1CCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000775835611 698043195 /nfs/dbraw/zinc/04/31/95/698043195.db2.gz VJZXOCKNYZGOTB-KGLIPLIRSA-N 0 3 305.422 1.651 20 10 DDCDHN NC(=O)[C@H](Cc1ccc(F)cc1)NCc1ccc2c(c1)CCO2 ZINC000784064737 698906674 /nfs/dbraw/zinc/90/66/74/698906674.db2.gz KJGPFUDXJXZMAH-INIZCTEOSA-N 0 3 314.360 1.947 20 10 DDCDHN CC(C)NC(=O)[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000389139957 699088103 /nfs/dbraw/zinc/08/81/03/699088103.db2.gz YBJCJVPXVKWBGX-AWEZNQCLSA-N 0 3 305.422 1.526 20 10 DDCDHN CCOCCOCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000787237249 699198790 /nfs/dbraw/zinc/19/87/90/699198790.db2.gz RJOSUSPGSIOLHS-HNNXBMFYSA-N 0 3 311.378 1.303 20 10 DDCDHN CCOCCOCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000787237249 699198792 /nfs/dbraw/zinc/19/87/92/699198792.db2.gz RJOSUSPGSIOLHS-HNNXBMFYSA-N 0 3 311.378 1.303 20 10 DDCDHN O=C(NCc1ccccc1O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729606398 699483250 /nfs/dbraw/zinc/48/32/50/699483250.db2.gz RDJHMEGICBYPIC-ZIAGYGMSSA-N 0 3 305.378 1.055 20 10 DDCDHN NC(=O)[C@H]1CCCN(c2ccc(CNCC3(F)CC3)cc2)C1 ZINC000793044904 699730083 /nfs/dbraw/zinc/73/00/83/699730083.db2.gz VSHMKGYEZPILLR-AWEZNQCLSA-N 0 3 305.397 1.980 20 10 DDCDHN C[C@@](O)(CNCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000760452106 700808724 /nfs/dbraw/zinc/80/87/24/700808724.db2.gz UQTSKGRYEPBVNR-CQSZACIVSA-N 0 3 318.339 1.926 20 10 DDCDHN C[C@](O)(CNCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000760452105 700808776 /nfs/dbraw/zinc/80/87/76/700808776.db2.gz UQTSKGRYEPBVNR-AWEZNQCLSA-N 0 3 318.339 1.926 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCS[C@@H]3COCC[C@H]31)[C@@H](O)CO2 ZINC000768461331 701179104 /nfs/dbraw/zinc/17/91/04/701179104.db2.gz AXFDSVKVEBAHFO-IVMMDQJWSA-N 0 3 323.414 1.524 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCS[C@@H]3COCC[C@H]31)[C@@H](O)CO2 ZINC000768461331 701179106 /nfs/dbraw/zinc/17/91/06/701179106.db2.gz AXFDSVKVEBAHFO-IVMMDQJWSA-N 0 3 323.414 1.524 20 10 DDCDHN COCCOC[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464945 701180390 /nfs/dbraw/zinc/18/03/90/701180390.db2.gz CPOVXUYQBGWXND-MLGOLLRUSA-N 0 3 323.389 1.303 20 10 DDCDHN COCCOC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464945 701180392 /nfs/dbraw/zinc/18/03/92/701180392.db2.gz CPOVXUYQBGWXND-MLGOLLRUSA-N 0 3 323.389 1.303 20 10 DDCDHN COCCN1CCC[C@H]1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868281331 702038951 /nfs/dbraw/zinc/03/89/51/702038951.db2.gz OTILOQZJXCGJFM-KGLIPLIRSA-N 0 3 321.421 1.863 20 10 DDCDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)N1CCCC[C@H]1C ZINC000841006736 702307479 /nfs/dbraw/zinc/30/74/79/702307479.db2.gz HFUFJJSOUUHZFV-OLZOCXBDSA-N 0 3 318.421 1.586 20 10 DDCDHN Cc1nnsc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000813790247 702418174 /nfs/dbraw/zinc/41/81/74/702418174.db2.gz LNCORKRMEPKDBV-UHFFFAOYSA-N 0 3 317.462 1.888 20 10 DDCDHN C[C@@H]1NCCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@H]1C ZINC000841758403 702557565 /nfs/dbraw/zinc/55/75/65/702557565.db2.gz HBQMJPFTMPATPZ-KBPBESRZSA-N 0 3 316.449 1.961 20 10 DDCDHN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CNCCO1 ZINC000842011997 702655309 /nfs/dbraw/zinc/65/53/09/702655309.db2.gz TWOIFYBEYRYKLH-HNNXBMFYSA-N 0 3 321.421 1.692 20 10 DDCDHN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC[C@H]1[NH3+] ZINC000843051039 702808546 /nfs/dbraw/zinc/80/85/46/702808546.db2.gz UFLQLAXAAAPHMU-CMPLNLGQSA-N 0 3 309.366 1.868 20 10 DDCDHN CCOc1ccc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c(O)c1 ZINC000843434713 702881759 /nfs/dbraw/zinc/88/17/59/702881759.db2.gz MJLZEJWRQNZVEY-OCCSQVGLSA-N 0 3 306.362 1.721 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c([O-])c1 ZINC000843434713 702881762 /nfs/dbraw/zinc/88/17/62/702881762.db2.gz MJLZEJWRQNZVEY-OCCSQVGLSA-N 0 3 306.362 1.721 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c([O-])c1 ZINC000843434713 702881765 /nfs/dbraw/zinc/88/17/65/702881765.db2.gz MJLZEJWRQNZVEY-OCCSQVGLSA-N 0 3 306.362 1.721 20 10 DDCDHN COc1ccc(N(C)CCN(C)CCn2ccccc2=O)cc1 ZINC000844399441 703025880 /nfs/dbraw/zinc/02/58/80/703025880.db2.gz JLJVNIOPFKAHLQ-UHFFFAOYSA-N 0 3 315.417 1.925 20 10 DDCDHN C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cc(F)ccc1[O-] ZINC000866520824 706719995 /nfs/dbraw/zinc/71/99/95/706719995.db2.gz IGPYFTBTOREXEN-MEBBXXQBSA-N 0 3 310.325 1.403 20 10 DDCDHN COC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-])C(C)C ZINC000879650904 706749546 /nfs/dbraw/zinc/74/95/46/706749546.db2.gz WGKCARRGWIEWDF-NHYWBVRUSA-N 0 3 308.378 1.357 20 10 DDCDHN Oc1cc2c(cc1CN1CCC[C@H](n3ccnn3)C1)OCO2 ZINC000819894859 704182049 /nfs/dbraw/zinc/18/20/49/704182049.db2.gz CKPSOHWRRBIBPJ-LBPRGKRZSA-N 0 3 302.334 1.550 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNS(=O)(=O)CCCN(C)C ZINC000866797806 706804680 /nfs/dbraw/zinc/80/46/80/706804680.db2.gz VSDVCIZUBROZAJ-UHFFFAOYSA-N 0 3 313.467 1.432 20 10 DDCDHN CC(C)N(C)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210818 704518487 /nfs/dbraw/zinc/51/84/87/704518487.db2.gz RJVBUEWJHJZVJS-UHFFFAOYSA-N 0 3 319.449 1.604 20 10 DDCDHN CCOC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC12COC2 ZINC000824488925 705462825 /nfs/dbraw/zinc/46/28/25/705462825.db2.gz CBCLQEVSVOQCNF-ZDUSSCGKSA-N 0 3 309.337 1.543 20 10 DDCDHN CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC12COC2 ZINC000824488925 705462826 /nfs/dbraw/zinc/46/28/26/705462826.db2.gz CBCLQEVSVOQCNF-ZDUSSCGKSA-N 0 3 309.337 1.543 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1COCCO1 ZINC000827141749 705938666 /nfs/dbraw/zinc/93/86/66/705938666.db2.gz WMPGLPDZIQJEOU-HNNXBMFYSA-N 0 3 324.396 1.510 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)CCC(=O)OC)cc1 ZINC000827340521 705981252 /nfs/dbraw/zinc/98/12/52/705981252.db2.gz FADJFNCFGVHFBI-OAHLLOKOSA-N 0 3 321.421 1.430 20 10 DDCDHN CC[C@@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000827365014 705985933 /nfs/dbraw/zinc/98/59/33/705985933.db2.gz NTMYAYBNZLMGBW-TYNCELHUSA-N 0 3 323.412 1.793 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c([O-])c1 ZINC000877517904 706130368 /nfs/dbraw/zinc/13/03/68/706130368.db2.gz CIBQGXCDLFMWDW-CQSZACIVSA-N 0 3 312.435 1.604 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1CCCN(c2cc[nH+]cc2)CC1 ZINC000880383788 706958988 /nfs/dbraw/zinc/95/89/88/706958988.db2.gz KOXANMHYSWGXLX-UHFFFAOYSA-N 0 3 313.357 1.845 20 10 DDCDHN CCN(C)c1ccc([C@@H](C)NC[C@@H](O)CS(C)(=O)=O)cc1 ZINC000927032143 712933815 /nfs/dbraw/zinc/93/38/15/712933815.db2.gz PUZBZBDXORNXTD-IUODEOHRSA-N 0 3 314.451 1.199 20 10 DDCDHN COc1ccc(CN[C@]2(C)CCNC2=O)cc1Cn1cccn1 ZINC000897867330 708475198 /nfs/dbraw/zinc/47/51/98/708475198.db2.gz QZPHCZORIIJENK-QGZVFWFLSA-N 0 3 314.389 1.308 20 10 DDCDHN C[C@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103124 708984378 /nfs/dbraw/zinc/98/43/78/708984378.db2.gz WOOFCLLINKLMEM-IUODEOHRSA-N 0 3 308.426 1.035 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)CC2(O)CCC2)N(C)C)cc1 ZINC000891247089 710140363 /nfs/dbraw/zinc/14/03/63/710140363.db2.gz HFZIVWJFGMQFAF-INIZCTEOSA-N 0 3 319.449 1.777 20 10 DDCDHN C[C@H]1[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C ZINC000925313040 714804654 /nfs/dbraw/zinc/80/46/54/714804654.db2.gz LDYCHEQRLKXWJR-BBRMVZONSA-N 0 3 304.438 1.987 20 10 DDCDHN COc1ccc(C[N@@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)c([O-])c1 ZINC001272626177 846424929 /nfs/dbraw/zinc/42/49/29/846424929.db2.gz UJKYVHWDGRBYSX-KRWDZBQOSA-N 0 3 318.373 1.372 20 10 DDCDHN COc1ccc(C[N@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)c([O-])c1 ZINC001272626177 846424937 /nfs/dbraw/zinc/42/49/37/846424937.db2.gz UJKYVHWDGRBYSX-KRWDZBQOSA-N 0 3 318.373 1.372 20 10 DDCDHN CN(Cc1cnc[nH]1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327865747 862524682 /nfs/dbraw/zinc/52/46/82/862524682.db2.gz XNKQZTVGCLUTBM-UHFFFAOYSA-N 0 3 317.412 1.933 20 10 DDCDHN COc1cc(CN2CCC(=O)[C@H](F)C2)cc(CN(C)C)c1O ZINC001139258323 860337994 /nfs/dbraw/zinc/33/79/94/860337994.db2.gz PLWLSHWVTKXHBC-CYBMUJFWSA-N 0 3 310.369 1.575 20 10 DDCDHN C[C@H]1CC(=O)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139408463 860390474 /nfs/dbraw/zinc/39/04/74/860390474.db2.gz MTPRBROZKIEFFB-HNNXBMFYSA-N 0 3 301.434 1.992 20 10 DDCDHN Cc1ccc(C)c(CN2CCN(c3ncc(O)cn3)CC2)c1O ZINC001140184450 860588137 /nfs/dbraw/zinc/58/81/37/860588137.db2.gz USEVONGUYJCLRZ-UHFFFAOYSA-N 0 3 314.389 1.827 20 10 DDCDHN COC(=O)[C@@H]1COCCC12CN(Cc1cc(C)ccc1O)C2 ZINC001140623629 860664620 /nfs/dbraw/zinc/66/46/20/860664620.db2.gz ZBMOHQSMZRVZFK-AWEZNQCLSA-N 0 3 305.374 1.712 20 10 DDCDHN CN(CCC1OCCO1)Cc1ccc(N2CCOCC2)cc1F ZINC001140663872 860670462 /nfs/dbraw/zinc/67/04/62/860670462.db2.gz QZKBIASFLTUMJN-UHFFFAOYSA-N 0 3 324.396 1.857 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)N(C)C)C2)c(OC)c1 ZINC001141028580 860765872 /nfs/dbraw/zinc/76/58/72/860765872.db2.gz VOXRXDNVXRUOCY-GFCCVEGCSA-N 0 3 322.405 1.710 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)c(OC)c1 ZINC001141028580 860765875 /nfs/dbraw/zinc/76/58/75/860765875.db2.gz VOXRXDNVXRUOCY-GFCCVEGCSA-N 0 3 322.405 1.710 20 10 DDCDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc(N(C)C)c(F)c1 ZINC001326199428 861183438 /nfs/dbraw/zinc/18/34/38/861183438.db2.gz JMVANROHTYJMPG-OAHLLOKOSA-N 0 3 309.385 1.229 20 10 DDCDHN CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001320461560 866756583 /nfs/dbraw/zinc/75/65/83/866756583.db2.gz QFSQSDHMBCDLIR-SWLSCSKDSA-N 0 3 321.373 1.736 20 10 DDCDHN CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC001320461560 866756587 /nfs/dbraw/zinc/75/65/87/866756587.db2.gz QFSQSDHMBCDLIR-SWLSCSKDSA-N 0 3 321.373 1.736 20 10 DDCDHN COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@@H+](Cc2ccccc2[O-])C1 ZINC001203556089 870639274 /nfs/dbraw/zinc/63/92/74/870639274.db2.gz KDJCSIFPGFHVBL-BETUJISGSA-N 0 3 307.346 1.176 20 10 DDCDHN COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@H+](Cc2ccccc2[O-])C1 ZINC001203556089 870639283 /nfs/dbraw/zinc/63/92/83/870639283.db2.gz KDJCSIFPGFHVBL-BETUJISGSA-N 0 3 307.346 1.176 20 10 DDCDHN CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001204274286 871032202 /nfs/dbraw/zinc/03/22/02/871032202.db2.gz MBSSGRSYKZWYAF-QGZVFWFLSA-N 0 3 304.390 1.932 20 10 DDCDHN CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(O)cc3[O-])C2)C1=O ZINC001204274286 871032223 /nfs/dbraw/zinc/03/22/23/871032223.db2.gz MBSSGRSYKZWYAF-QGZVFWFLSA-N 0 3 304.390 1.932 20 10 DDCDHN COc1cc(CN(C(C)C)[C@H]2CCN(C(C)=O)C2)cc(O)c1O ZINC001204349995 871072213 /nfs/dbraw/zinc/07/22/13/871072213.db2.gz ZNXPVLUEJDBJPN-AWEZNQCLSA-N 0 3 322.405 1.938 20 10 DDCDHN Nc1ccc(CNC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC001342700550 872342658 /nfs/dbraw/zinc/34/26/58/872342658.db2.gz SKPGZLXGBXZUJL-UHFFFAOYSA-N 0 3 317.433 1.920 20 10 DDCDHN CCOCCN(CCOCC)Cc1cc(OC)c(O)cc1O ZINC001231637167 885774488 /nfs/dbraw/zinc/77/44/88/885774488.db2.gz HADLPJRJTUVOKX-UHFFFAOYSA-N 0 3 313.394 1.981 20 10 DDCDHN CCN1CC[C@@]2(CCCN(Cc3cc(O)c(O)c(O)c3)C2)C1=O ZINC001233013848 886724378 /nfs/dbraw/zinc/72/43/78/886724378.db2.gz UKIJAHCAUHUPOJ-QGZVFWFLSA-N 0 3 320.389 1.638 20 10 DDCDHN COc1cc([O-])c(CN2CCNC[C@]23CC[NH2+]C3)cc1Cl ZINC001234988536 888310321 /nfs/dbraw/zinc/31/03/21/888310321.db2.gz MNRNNTCUOFOLHK-OAHLLOKOSA-N 0 3 311.813 1.192 20 10 DDCDHN COc1cc(CN2CC(N(C)C)C2)c(O)cc1Br ZINC001236745025 889327164 /nfs/dbraw/zinc/32/71/64/889327164.db2.gz KWVOSVYXFMNUNV-UHFFFAOYSA-N 0 3 315.211 1.909 20 10 DDCDHN CC[N@H+](CCN1CCOCC1)Cc1c(C)cc(OC)cc1[O-] ZINC001236811362 889369133 /nfs/dbraw/zinc/36/91/33/889369133.db2.gz RLLVTYKPNMZDAF-UHFFFAOYSA-N 0 3 308.422 1.863 20 10 DDCDHN CC[N@@H+](CCN1CCOCC1)Cc1c(C)cc(OC)cc1[O-] ZINC001236811362 889369144 /nfs/dbraw/zinc/36/91/44/889369144.db2.gz RLLVTYKPNMZDAF-UHFFFAOYSA-N 0 3 308.422 1.863 20 10 DDCDHN CCOc1ccc(CN2CCC[C@]3(CNC(=O)O3)C2)c(O)c1 ZINC001237045131 889479540 /nfs/dbraw/zinc/47/95/40/889479540.db2.gz XHLYJNGXWKPOML-INIZCTEOSA-N 0 3 306.362 1.865 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)c([O-])c1 ZINC001249216705 893873614 /nfs/dbraw/zinc/87/36/14/893873614.db2.gz HJXUXCYPMJWQQZ-QGZVFWFLSA-N 0 3 321.373 1.493 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@](C)(C(=O)OC)C2)c([O-])c1 ZINC001249216705 893873633 /nfs/dbraw/zinc/87/36/33/893873633.db2.gz HJXUXCYPMJWQQZ-QGZVFWFLSA-N 0 3 321.373 1.493 20 10 DDCDHN COc1ccc(N2CCC(NC(=O)[C@H](N)CC3CC3)CC2)cc1 ZINC001262035417 899906218 /nfs/dbraw/zinc/90/62/18/899906218.db2.gz JGQGCDKNAJTZJK-QGZVFWFLSA-N 0 3 317.433 1.908 20 10 DDCDHN COCCn1cc(CNCc2ccc(OC)c(OC)c2O)cn1 ZINC001262370429 900135951 /nfs/dbraw/zinc/13/59/51/900135951.db2.gz HZNHDKSBIGQURU-UHFFFAOYSA-N 0 3 321.377 1.542 20 10 DDCDHN CN(C)c1ccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1F ZINC000281333608 282289885 /nfs/dbraw/zinc/28/98/85/282289885.db2.gz SEBBFEYGYOIBAL-OCCSQVGLSA-N 0 3 307.369 1.822 20 10 DDCDHN Cc1ccc(O)c(CN2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1 ZINC000091898285 353839150 /nfs/dbraw/zinc/83/91/50/353839150.db2.gz HXUOYWXAMWXKGT-CQSZACIVSA-N 0 3 312.435 1.603 20 10 DDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1C ZINC000092188620 353846796 /nfs/dbraw/zinc/84/67/96/353846796.db2.gz PBPITRBMHZCHAB-HNNXBMFYSA-N 0 3 303.406 1.999 20 10 DDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1C ZINC000092188620 353846799 /nfs/dbraw/zinc/84/67/99/353846799.db2.gz PBPITRBMHZCHAB-HNNXBMFYSA-N 0 3 303.406 1.999 20 10 DDCDHN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](O)CN1CCCCC1 ZINC000272561883 130041959 /nfs/dbraw/zinc/04/19/59/130041959.db2.gz BXPSTKGPSCDMDN-HZRUHFOJSA-N 0 3 320.389 1.074 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CCOCCS(C)(=O)=O)c([O-])c1C ZINC000273540908 130134255 /nfs/dbraw/zinc/13/42/55/130134255.db2.gz YGGPVVJTMNGCFX-ZDUSSCGKSA-N 0 3 315.435 1.721 20 10 DDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)c1 ZINC000273622732 130146937 /nfs/dbraw/zinc/14/69/37/130146937.db2.gz ZMVIIFMFWKXQEJ-ZFWWWQNUSA-N 0 3 305.422 1.691 20 10 DDCDHN COc1ccc(O)c(CN2CC[C@@H](NC(=O)NC3CC3)C2)c1 ZINC000273727901 130158839 /nfs/dbraw/zinc/15/88/39/130158839.db2.gz JOYFAURTRIHQCX-CYBMUJFWSA-N 0 3 305.378 1.437 20 10 DDCDHN CSCC[C@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178710353 407558066 /nfs/dbraw/zinc/55/80/66/407558066.db2.gz HTOKPMODWSCMCR-HNNXBMFYSA-N 0 3 307.463 1.983 20 10 DDCDHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000186029968 407566892 /nfs/dbraw/zinc/56/68/92/407566892.db2.gz RJVAEHNCTPCHQZ-GHMZBOCLSA-N 0 3 301.408 1.875 20 10 DDCDHN CCOc1ccc(O)c(CN2CCc3nn(C)c(=O)cc3C2)c1 ZINC000093756721 407203023 /nfs/dbraw/zinc/20/30/23/407203023.db2.gz GVAPJSKSAUVENH-UHFFFAOYSA-N 0 3 315.373 1.443 20 10 DDCDHN CC(C)N1CCC(O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000268410999 408032209 /nfs/dbraw/zinc/03/22/09/408032209.db2.gz HVOBUXJPDYUOIF-UHFFFAOYSA-N 0 3 323.393 1.625 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CCC1CC1)cc2=O ZINC000135304466 408001430 /nfs/dbraw/zinc/00/14/30/408001430.db2.gz LMVZQAIHOWJZDS-UHFFFAOYSA-N 0 3 318.377 1.844 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCC(O)CC2)c1 ZINC000185116115 408761054 /nfs/dbraw/zinc/76/10/54/408761054.db2.gz VKXMQIVBGWRPLU-CYBMUJFWSA-N 0 3 308.422 1.898 20 10 DDCDHN COC[C@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280928409 408860494 /nfs/dbraw/zinc/86/04/94/408860494.db2.gz QFOQUILOUYNYHR-GFCCVEGCSA-N 0 3 306.328 1.868 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCCN(CCCO)C2)cc1OC ZINC000294684024 409297042 /nfs/dbraw/zinc/29/70/42/409297042.db2.gz BJBAMAVHRNIBEI-CQSZACIVSA-N 0 3 324.421 1.346 20 10 DDCDHN CO[C@@H](CN)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000290092197 409300655 /nfs/dbraw/zinc/30/06/55/409300655.db2.gz JLEMXMGMUOAPHF-INIZCTEOSA-N 0 3 305.422 1.513 20 10 DDCDHN CC[C@]1(CO)CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298680485 410342794 /nfs/dbraw/zinc/34/27/94/410342794.db2.gz YYIADOZHBXJQLB-GOSISDBHSA-N 0 3 319.449 1.606 20 10 DDCDHN COc1ccc(N2CCC(NCC(=O)NCC3CC3)CC2)cc1 ZINC000367918825 418657607 /nfs/dbraw/zinc/65/76/07/418657607.db2.gz SNTGCJSMSIIYPL-UHFFFAOYSA-N 0 3 317.433 1.780 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000368008115 418673938 /nfs/dbraw/zinc/67/39/38/418673938.db2.gz HXPMVPBRHIYXSJ-BLLLJJGKSA-N 0 3 303.362 1.469 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000368008115 418673939 /nfs/dbraw/zinc/67/39/39/418673939.db2.gz HXPMVPBRHIYXSJ-BLLLJJGKSA-N 0 3 303.362 1.469 20 10 DDCDHN CN1CCc2cc(CNC(=O)N3CCN4CCC3CC4)ccc21 ZINC000377001108 418703746 /nfs/dbraw/zinc/70/37/46/418703746.db2.gz HBJGFXCXVUYWRB-UHFFFAOYSA-N 0 3 314.433 1.669 20 10 DDCDHN CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2ccccc2[O-])C1=O ZINC000371084842 418761029 /nfs/dbraw/zinc/76/10/29/418761029.db2.gz HRTGORCFJSXNFZ-BLLLJJGKSA-N 0 3 303.362 1.202 20 10 DDCDHN COc1cc([O-])c(C[NH2+]C[C@](C)(O)c2ccco2)cc1OC ZINC000182502953 522781212 /nfs/dbraw/zinc/78/12/12/522781212.db2.gz JKVDKEGFQVLFHL-INIZCTEOSA-N 0 3 307.346 2.000 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(OC)CCOC2)c1[O-] ZINC000126978086 696767359 /nfs/dbraw/zinc/76/73/59/696767359.db2.gz KTLWAFUDYHEWER-AWEZNQCLSA-N 0 3 301.770 1.949 20 10 DDCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)CC1(CO)COC1 ZINC000151241609 696882225 /nfs/dbraw/zinc/88/22/25/696882225.db2.gz HPZKKYFDUKGLCU-HNNXBMFYSA-N 0 3 307.390 1.382 20 10 DDCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)CC1(CO)COC1 ZINC000151241609 696882228 /nfs/dbraw/zinc/88/22/28/696882228.db2.gz HPZKKYFDUKGLCU-HNNXBMFYSA-N 0 3 307.390 1.382 20 10 DDCDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NC(=O)NC2CC2)c1 ZINC000775371817 697989954 /nfs/dbraw/zinc/98/99/54/697989954.db2.gz UPRGHIWZUARFAQ-VHSXEESVSA-N 0 3 321.377 1.428 20 10 DDCDHN CN(CCOCCO)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000800547354 700232379 /nfs/dbraw/zinc/23/23/79/700232379.db2.gz YGCUWFAWRLIXIK-UHFFFAOYSA-N 0 3 312.385 1.103 20 10 DDCDHN COCCO[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000780491027 698524553 /nfs/dbraw/zinc/52/45/53/698524553.db2.gz DMEQTJVHBKBAAO-WFASDCNBSA-N 0 3 309.362 1.055 20 10 DDCDHN COCCO[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000780491027 698524555 /nfs/dbraw/zinc/52/45/55/698524555.db2.gz DMEQTJVHBKBAAO-WFASDCNBSA-N 0 3 309.362 1.055 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)c([O-])c1 ZINC000783721877 698870089 /nfs/dbraw/zinc/87/00/89/698870089.db2.gz SAGUSGFUQXFWNE-UHFFFAOYSA-N 0 3 306.362 1.865 20 10 DDCDHN NC(=O)[C@@H](Cc1ccc(F)cc1)NCc1ccc2c(c1)CCO2 ZINC000784064738 698906737 /nfs/dbraw/zinc/90/67/37/698906737.db2.gz KJGPFUDXJXZMAH-MRXNPFEDSA-N 0 3 314.360 1.947 20 10 DDCDHN CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000758056753 700682485 /nfs/dbraw/zinc/68/24/85/700682485.db2.gz PLCDFQJLSLKODY-UHFFFAOYSA-N 0 3 312.435 1.544 20 10 DDCDHN CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000809709779 701682507 /nfs/dbraw/zinc/68/25/07/701682507.db2.gz IAVJWKAICNYJCS-ZDUSSCGKSA-N 0 3 316.398 1.435 20 10 DDCDHN COC(=O)C[C@@]1(NCc2ccc(N(C)C)c(F)c2)CCOC1 ZINC000766458960 701051831 /nfs/dbraw/zinc/05/18/31/701051831.db2.gz ORWUYKIVUMGELQ-INIZCTEOSA-N 0 3 310.369 1.704 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c([O-])c1 ZINC000768931963 701216911 /nfs/dbraw/zinc/21/69/11/701216911.db2.gz XMZWFJBQDRMVBZ-CQSZACIVSA-N 0 3 319.405 1.781 20 10 DDCDHN CCOc1ccc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c([O-])c1 ZINC000768931963 701216912 /nfs/dbraw/zinc/21/69/12/701216912.db2.gz XMZWFJBQDRMVBZ-CQSZACIVSA-N 0 3 319.405 1.781 20 10 DDCDHN CCOc1cccc(CN2CCC[C@H]2CS(N)(=O)=O)c1O ZINC000769427121 701244637 /nfs/dbraw/zinc/24/46/37/701244637.db2.gz GSEFHFXYVSVPIO-LBPRGKRZSA-N 0 3 314.407 1.044 20 10 DDCDHN CCOc1cccc(CN[C@@H](CCSC)C(=O)NC)c1O ZINC000808436996 701518034 /nfs/dbraw/zinc/51/80/34/701518034.db2.gz HRSCHLKQZGGMQQ-LBPRGKRZSA-N 0 3 312.435 1.748 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)[C@H](O)CO2 ZINC000840117285 701977861 /nfs/dbraw/zinc/97/78/61/701977861.db2.gz AJZLMUVCGOZASL-PWXKEOIMSA-N 0 3 319.401 1.943 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)[C@H](O)CO2 ZINC000840117285 701977865 /nfs/dbraw/zinc/97/78/65/701977865.db2.gz AJZLMUVCGOZASL-PWXKEOIMSA-N 0 3 319.401 1.943 20 10 DDCDHN COC[C@]1(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])CCC[NH2+]1 ZINC000817974204 702540872 /nfs/dbraw/zinc/54/08/72/702540872.db2.gz JIPHSEKISFQNIG-SJKOYZFVSA-N 0 3 322.405 1.598 20 10 DDCDHN CC(C)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@]1(O)CCOC1 ZINC000842759454 702768502 /nfs/dbraw/zinc/76/85/02/702768502.db2.gz WRNQEIUVNJFWPS-MRXNPFEDSA-N 0 3 309.362 1.388 20 10 DDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000866438930 706699396 /nfs/dbraw/zinc/69/93/96/706699396.db2.gz AKJLBJCXFNIXJI-AVGNSLFASA-N 0 3 321.421 1.469 20 10 DDCDHN CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1ccccc1[O-] ZINC000866439879 706699441 /nfs/dbraw/zinc/69/94/41/706699441.db2.gz KKRPFZNAZRHTPO-GMXVVIOVSA-N 0 3 308.378 1.499 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC000846448054 703277377 /nfs/dbraw/zinc/27/73/77/703277377.db2.gz XNMAZBLCQKEQMO-INIZCTEOSA-N 0 3 305.422 1.684 20 10 DDCDHN Cc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c([O-])c1O ZINC000854643455 704432177 /nfs/dbraw/zinc/43/21/77/704432177.db2.gz YGQITTVNTIETBD-UONOGXRCSA-N 0 3 320.389 1.341 20 10 DDCDHN Cc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)c([O-])c1O ZINC000854643455 704432181 /nfs/dbraw/zinc/43/21/81/704432181.db2.gz YGQITTVNTIETBD-UONOGXRCSA-N 0 3 320.389 1.341 20 10 DDCDHN O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(O)c1[O-] ZINC000856479898 704530424 /nfs/dbraw/zinc/53/04/24/704530424.db2.gz PBOOTZBBNLYEDY-ZDUSSCGKSA-N 0 3 304.390 1.950 20 10 DDCDHN O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(O)c1[O-] ZINC000856479898 704530425 /nfs/dbraw/zinc/53/04/25/704530425.db2.gz PBOOTZBBNLYEDY-ZDUSSCGKSA-N 0 3 304.390 1.950 20 10 DDCDHN CN(C)c1cc(F)c(CNCCCN2CCOC2=O)cc1F ZINC000858124378 704668372 /nfs/dbraw/zinc/66/83/72/704668372.db2.gz SZMAATXYOWTVGY-UHFFFAOYSA-N 0 3 313.348 1.963 20 10 DDCDHN COC[C@](C)(O)CCNCc1cc(F)c(N(C)C)cc1F ZINC000858169826 704673062 /nfs/dbraw/zinc/67/30/62/704673062.db2.gz DQGIEQAZNGUAGY-OAHLLOKOSA-N 0 3 302.365 1.908 20 10 DDCDHN Cc1ccc(CN2CCCC[C@H]2C(=O)N2CCOCC2)c(O)c1 ZINC000876684869 705818666 /nfs/dbraw/zinc/81/86/66/705818666.db2.gz UGGIWTUWZVDZNM-INIZCTEOSA-N 0 3 318.417 1.914 20 10 DDCDHN COC[C@@]1(C(=O)NCc2ccc(N(C)C)cc2)CCCCN1 ZINC000876712484 705833370 /nfs/dbraw/zinc/83/33/70/705833370.db2.gz HSPBIYYSFAGCNU-QGZVFWFLSA-N 0 3 305.422 1.528 20 10 DDCDHN O=S1(=O)CCN(c2ccc(CNC3CSC3)cc2)CC1 ZINC000826932401 705893533 /nfs/dbraw/zinc/89/35/33/705893533.db2.gz VOVMRMKUBRMHID-UHFFFAOYSA-N 0 3 312.460 1.126 20 10 DDCDHN CCS(=O)(=O)N1CCC([NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000876922578 705925033 /nfs/dbraw/zinc/92/50/33/705925033.db2.gz DQRNYZPYCSUHJA-UHFFFAOYSA-N 0 3 312.435 1.604 20 10 DDCDHN CCOc1ccc(O)c(CN(CCN(C)C)CC(=O)N(C)C)c1 ZINC000827158073 705941985 /nfs/dbraw/zinc/94/19/85/705941985.db2.gz NCHHWESOADHZST-UHFFFAOYSA-N 0 3 323.437 1.243 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000877075398 705977466 /nfs/dbraw/zinc/97/74/66/705977466.db2.gz BDIUQMCMLJRKPV-GUYCJALGSA-N 0 3 317.389 1.511 20 10 DDCDHN CC[C@@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000927028344 712932822 /nfs/dbraw/zinc/93/28/22/712932822.db2.gz IMXFRHCBLLONJD-HUUCEWRRSA-N 0 3 314.451 1.199 20 10 DDCDHN CN(Cc1cc2c(cc1O)OC[C@H]2O)[C@@H]1CCCCN(C)C1=O ZINC000872676344 707553986 /nfs/dbraw/zinc/55/39/86/707553986.db2.gz QZIJSULPRBMOJB-UKRRQHHQSA-N 0 3 320.389 1.261 20 10 DDCDHN CC[C@@H]1OCC[C@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000839198580 708035811 /nfs/dbraw/zinc/03/58/11/708035811.db2.gz QUOFEKXMXWKJEN-CVEARBPZSA-N 0 3 305.422 1.526 20 10 DDCDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](N)CC3CC3)C2)cc1 ZINC000884368637 708266500 /nfs/dbraw/zinc/26/65/00/708266500.db2.gz CWOCDSUWSGQHOK-WMLDXEAASA-N 0 3 317.433 1.765 20 10 DDCDHN N[C@@H](CC1CC1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000884417079 708288915 /nfs/dbraw/zinc/28/89/15/708288915.db2.gz XJYCXTDOCZMLAM-KRWDZBQOSA-N 0 3 317.433 1.391 20 10 DDCDHN CCOc1ccc(O)c(CN2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000897618207 708395828 /nfs/dbraw/zinc/39/58/28/708395828.db2.gz BBIOOENOZQCKQV-BETUJISGSA-N 0 3 311.403 1.267 20 10 DDCDHN CN(C)c1ccc([C@@H](CNCc2ccn(C)n2)N(C)C)cc1 ZINC000898451698 708644637 /nfs/dbraw/zinc/64/46/37/708644637.db2.gz NYLKUVLCKQHPPZ-QGZVFWFLSA-N 0 3 301.438 1.879 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)Cc2ncc[nH]2)N(C)C)cc1 ZINC000891246691 710140344 /nfs/dbraw/zinc/14/03/44/710140344.db2.gz FCJNJLKBVYDXEG-HNNXBMFYSA-N 0 3 315.421 1.437 20 10 DDCDHN CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(OC)c(OC)c1O ZINC000893335210 710604231 /nfs/dbraw/zinc/60/42/31/710604231.db2.gz OQJYEXSPPJIBCI-WDEREUQCSA-N 0 3 310.394 1.802 20 10 DDCDHN COC(=O)c1c(CN[C@H]2C[C@@H](O)C2)c2cc(F)ccc2n1C ZINC000894940065 711329728 /nfs/dbraw/zinc/32/97/28/711329728.db2.gz LBIMJMLOYLEDHX-PHIMTYICSA-N 0 3 306.337 1.717 20 10 DDCDHN COc1c([O-])c(CN2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000895565164 711542737 /nfs/dbraw/zinc/54/27/37/711542737.db2.gz VUHULWHAJXYKMH-UHFFFAOYSA-N 0 3 309.366 1.835 20 10 DDCDHN COc1c([O-])c(CN2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000895565164 711542739 /nfs/dbraw/zinc/54/27/39/711542739.db2.gz VUHULWHAJXYKMH-UHFFFAOYSA-N 0 3 309.366 1.835 20 10 DDCDHN CC(=O)c1cc(Cl)cc(CN2CCNCC[NH2+]CC2)c1[O-] ZINC000923465584 714365334 /nfs/dbraw/zinc/36/53/34/714365334.db2.gz AECABIBCGOBGOI-UHFFFAOYSA-N 0 3 311.813 1.243 20 10 DDCDHN C[C@H]1[C@@H](CO)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001193898141 746230541 /nfs/dbraw/zinc/23/05/41/746230541.db2.gz JKVGABNEWBMDHE-DZGCQCFKSA-N 0 3 305.422 1.072 20 10 DDCDHN CCN1C[C@H](NC(=O)c2cc(OC)nc(OC)c2)CC[C@H]1C ZINC001071644944 769781392 /nfs/dbraw/zinc/78/13/92/769781392.db2.gz DTGDMDNVWRXYBG-DGCLKSJQSA-N 0 3 307.394 1.701 20 10 DDCDHN CN1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3cc(O)c(O)cc3[nH]1)C2 ZINC001269477502 841679032 /nfs/dbraw/zinc/67/90/32/841679032.db2.gz YJBHCYREOPCJSE-KOLCDFICSA-N 0 3 301.346 1.355 20 10 DDCDHN C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1c([O-])cccc1Cl ZINC001275216666 852901888 /nfs/dbraw/zinc/90/18/88/852901888.db2.gz ALUHBGTWXCWDPY-BETUJISGSA-N 0 3 309.841 1.866 20 10 DDCDHN C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCC1=O ZINC001139404770 860388176 /nfs/dbraw/zinc/38/81/76/860388176.db2.gz ZRBBOQLQQBCHCC-OAHLLOKOSA-N 0 3 301.434 1.849 20 10 DDCDHN CCN1CCN(c2ccc(CN3CCOC(=O)C3)cc2)CC1 ZINC001140309641 860616220 /nfs/dbraw/zinc/61/62/20/860616220.db2.gz OSKZPWKBKWSPGC-UHFFFAOYSA-N 0 3 303.406 1.187 20 10 DDCDHN Cc1c(O)ccc(CN2CCN(C[C@H]3CCCO3)CC2)c1O ZINC001140745216 860690507 /nfs/dbraw/zinc/69/05/07/860690507.db2.gz ALCZQCQFMFQXDG-OAHLLOKOSA-N 0 3 306.406 1.703 20 10 DDCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141028843 860767380 /nfs/dbraw/zinc/76/73/80/860767380.db2.gz BSLNULLIRHWDKY-NSHDSACASA-N 0 3 309.362 1.937 20 10 DDCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141028843 860767384 /nfs/dbraw/zinc/76/73/84/860767384.db2.gz BSLNULLIRHWDKY-NSHDSACASA-N 0 3 309.362 1.937 20 10 DDCDHN COC(=O)[C@H]1C[N@H+](Cc2c([O-])cc(OC)cc2OC)C[C@@H]1C ZINC001141032907 860769075 /nfs/dbraw/zinc/76/90/75/860769075.db2.gz SBNWYZONTMBJGJ-JQWIXIFHSA-N 0 3 309.362 1.650 20 10 DDCDHN COC(=O)[C@H]1C[N@@H+](Cc2c([O-])cc(OC)cc2OC)C[C@@H]1C ZINC001141032907 860769076 /nfs/dbraw/zinc/76/90/76/860769076.db2.gz SBNWYZONTMBJGJ-JQWIXIFHSA-N 0 3 309.362 1.650 20 10 DDCDHN Cc1ccnc(O[C@@H]2CCN(Cc3cc(O)ccc3O)C2)n1 ZINC001141162751 860799267 /nfs/dbraw/zinc/79/92/67/860799267.db2.gz BZNPJHQYSULKEL-CQSZACIVSA-N 0 3 301.346 1.850 20 10 DDCDHN O=C(COC1CC[NH+](Cc2ccc(O)cc2[O-])CC1)NC1CC1 ZINC001204281118 871035974 /nfs/dbraw/zinc/03/59/74/871035974.db2.gz RBWIAPXFFQIJLV-UHFFFAOYSA-N 0 3 320.389 1.357 20 10 DDCDHN O=C(NCC1COC1)[C@@]12C[C@@H]1CCN2Cc1ccccc1O ZINC001277440878 884289576 /nfs/dbraw/zinc/28/95/76/884289576.db2.gz GOJJVAYTJFRTOC-WMLDXEAASA-N 0 3 302.374 1.119 20 10 DDCDHN Cc1cc(C)c(CN2CCN(c3ncc(O)cn3)CC2)c(O)c1 ZINC001231848526 885903968 /nfs/dbraw/zinc/90/39/68/885903968.db2.gz IFUNEHAZATWGMO-UHFFFAOYSA-N 0 3 314.389 1.827 20 10 DDCDHN COc1cc([O-])c(CN2CCO[C@@H](C[NH+](C)C)C2)cc1Cl ZINC001232266442 886199899 /nfs/dbraw/zinc/19/98/99/886199899.db2.gz OKJJJPMRHLOHOM-LBPRGKRZSA-N 0 3 314.813 1.817 20 10 DDCDHN CN(C)c1ccc(CN2CC(N(C)[C@H]3CCOC3)C2)c(O)c1 ZINC001232840105 886627153 /nfs/dbraw/zinc/62/71/53/886627153.db2.gz NCHYMSMRSXATSA-HNNXBMFYSA-N 0 3 305.422 1.363 20 10 DDCDHN CC(C)(C)OC(=O)[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485100 887017812 /nfs/dbraw/zinc/01/78/12/887017812.db2.gz IVZDAHIYJKQJSF-JTQLQIEISA-N 0 3 309.362 1.967 20 10 DDCDHN CCCCOC(=O)[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233487757 887023446 /nfs/dbraw/zinc/02/34/46/887023446.db2.gz RCYSPPCDURQVLR-NSHDSACASA-N 0 3 309.362 1.969 20 10 DDCDHN Nc1ccc(Cc2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001248183534 893560527 /nfs/dbraw/zinc/56/05/27/893560527.db2.gz JMYMSCMQTCIALN-UHFFFAOYSA-N 0 3 307.357 1.950 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c([O-])c1 ZINC001249173700 893855623 /nfs/dbraw/zinc/85/56/23/893855623.db2.gz VHDMNBUVSUESII-SWLSCSKDSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)c([O-])c1 ZINC001249173700 893855631 /nfs/dbraw/zinc/85/56/31/893855631.db2.gz VHDMNBUVSUESII-SWLSCSKDSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c([O-])c1 ZINC001249207319 893865787 /nfs/dbraw/zinc/86/57/87/893865787.db2.gz BLBKDWWVQFQTMG-QGZVFWFLSA-N 0 3 305.374 1.863 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@]3(CCO3)C2)c([O-])c1 ZINC001249207319 893865805 /nfs/dbraw/zinc/86/58/05/893865805.db2.gz BLBKDWWVQFQTMG-QGZVFWFLSA-N 0 3 305.374 1.863 20 10 DDCDHN CC[N@H+](CCn1ccnc1)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249214955 893871420 /nfs/dbraw/zinc/87/14/20/893871420.db2.gz SYCZRQGKAXOPFF-UHFFFAOYSA-N 0 3 317.389 1.826 20 10 DDCDHN CC[N@@H+](CCn1ccnc1)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249214955 893871432 /nfs/dbraw/zinc/87/14/32/893871432.db2.gz SYCZRQGKAXOPFF-UHFFFAOYSA-N 0 3 317.389 1.826 20 10 DDCDHN COc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(O)cc2[O-])cc1 ZINC001252734251 895425260 /nfs/dbraw/zinc/42/52/60/895425260.db2.gz URYOIJOXOLQUSC-AWEZNQCLSA-N 0 3 319.357 1.636 20 10 DDCDHN CN(C)c1ccc(CN[C@H]2CCN(c3ccn(C)n3)C2)cc1F ZINC000371715764 529782280 /nfs/dbraw/zinc/78/22/80/529782280.db2.gz RTOCDUVTHVFPFF-AWEZNQCLSA-N 0 3 317.412 1.994 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCCNC1=O ZINC000009976590 352137859 /nfs/dbraw/zinc/13/78/59/352137859.db2.gz HPYPHHACMQAZNT-QGZVFWFLSA-N 0 3 317.433 1.624 20 10 DDCDHN CC[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)N1CCOCC1 ZINC000297731237 132031015 /nfs/dbraw/zinc/03/10/15/132031015.db2.gz NPFQNBGHNSMZOW-ZIAGYGMSSA-N 0 3 304.390 1.607 20 10 DDCDHN CCCN(CC(=O)NCCC(=O)OC)Cc1ccccc1O ZINC000068973711 406675045 /nfs/dbraw/zinc/67/50/45/406675045.db2.gz GVGUVOPKNBBFPF-UHFFFAOYSA-N 0 3 308.378 1.284 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000186167021 407593302 /nfs/dbraw/zinc/59/33/02/407593302.db2.gz MPNJLHBXCMJDMH-CHWSQXEVSA-N 0 3 312.435 1.633 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)c([O-])c1C ZINC000273553387 408243705 /nfs/dbraw/zinc/24/37/05/408243705.db2.gz GJIUTIYIBNNAOR-ZBFHGGJFSA-N 0 3 319.449 1.999 20 10 DDCDHN COCCn1cc(CNCc2cc3c(cc2O)OCO3)cn1 ZINC000281911105 408953157 /nfs/dbraw/zinc/95/31/57/408953157.db2.gz GFSPVQAHXVCXSI-UHFFFAOYSA-N 0 3 305.334 1.254 20 10 DDCDHN COc1cccc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1[O-] ZINC000278304547 409079165 /nfs/dbraw/zinc/07/91/65/409079165.db2.gz DHLVGTHQADSQHS-CQSZACIVSA-N 0 3 316.405 1.893 20 10 DDCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c([O-])c1 ZINC000366485467 418480337 /nfs/dbraw/zinc/48/03/37/418480337.db2.gz WKPVSQIYMKHCBN-KBPBESRZSA-N 0 3 318.373 1.276 20 10 DDCDHN CCCOc1ccc(C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c([O-])c1 ZINC000366485467 418480340 /nfs/dbraw/zinc/48/03/40/418480340.db2.gz WKPVSQIYMKHCBN-KBPBESRZSA-N 0 3 318.373 1.276 20 10 DDCDHN CNS(=O)(=O)CCNCc1ccc(N2CCCCC2)cc1 ZINC000190316711 222075473 /nfs/dbraw/zinc/07/54/73/222075473.db2.gz LJCMEYJFWCQXLV-UHFFFAOYSA-N 0 3 311.451 1.316 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CC[C@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000370526778 418745238 /nfs/dbraw/zinc/74/52/38/418745238.db2.gz GBDAUMSDUAEBJX-BXUZGUMPSA-N 0 3 321.377 1.835 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CC[C@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000370526778 418745239 /nfs/dbraw/zinc/74/52/39/418745239.db2.gz GBDAUMSDUAEBJX-BXUZGUMPSA-N 0 3 321.377 1.835 20 10 DDCDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296563703 279263951 /nfs/dbraw/zinc/26/39/51/279263951.db2.gz UNKMCIXIFGUVAX-ZBFHGGJFSA-N 0 3 303.450 1.995 20 10 DDCDHN O=S1(=O)CCC[C@@H](NCc2ccc(N3CCCC3)cc2)C1 ZINC000069142692 490578334 /nfs/dbraw/zinc/57/83/34/490578334.db2.gz INUKUTNNJGYSKN-OAHLLOKOSA-N 0 3 308.447 1.954 20 10 DDCDHN COCCN1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180708505 523812768 /nfs/dbraw/zinc/81/27/68/523812768.db2.gz GPDXSEYHIMUXRT-HWKANZROSA-N 0 3 320.389 1.338 20 10 DDCDHN C[C@H](N[C@H]1CCCCNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000194478154 697710857 /nfs/dbraw/zinc/71/08/57/697710857.db2.gz JCFVWQMQRBOPAW-YOEHRIQHSA-N 0 3 317.433 1.843 20 10 DDCDHN COc1cc(O)c(CNC[C@@H]2CCCS2(=O)=O)cc1OC ZINC000776253423 698088574 /nfs/dbraw/zinc/08/85/74/698088574.db2.gz PIDNXZIYNHHVHL-NSHDSACASA-N 0 3 315.391 1.076 20 10 DDCDHN COc1cc(Cl)cc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c1O ZINC000380290518 699061193 /nfs/dbraw/zinc/06/11/93/699061193.db2.gz FEKJGBZJVNZUGJ-LDYMZIIASA-N 0 3 319.810 1.719 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c1[O-] ZINC000380290518 699061198 /nfs/dbraw/zinc/06/11/98/699061198.db2.gz FEKJGBZJVNZUGJ-LDYMZIIASA-N 0 3 319.810 1.719 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCN(C)CC2)c2c1c(F)ccc2[O-] ZINC000756491635 700623831 /nfs/dbraw/zinc/62/38/31/700623831.db2.gz WUSXHKXHBRFAAJ-DGCLKSJQSA-N 0 3 321.396 1.443 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756789957 700641220 /nfs/dbraw/zinc/64/12/20/700641220.db2.gz JHFVFPFYTGHHGE-PWSUYJOCSA-N 0 3 308.353 1.528 20 10 DDCDHN CN(C)C[C@@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc2O1 ZINC000760816367 700824591 /nfs/dbraw/zinc/82/45/91/700824591.db2.gz CTBKEUUFXPXGGI-MVGZEHJDSA-N 0 3 324.384 1.846 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000764280205 700966118 /nfs/dbraw/zinc/96/61/18/700966118.db2.gz SAJPBJAEADZMTC-QGZVFWFLSA-N 0 3 316.449 1.067 20 10 DDCDHN Cc1nonc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000809745522 701685455 /nfs/dbraw/zinc/68/54/55/701685455.db2.gz WLUHZSXRTDWQGY-UHFFFAOYSA-N 0 3 301.394 1.420 20 10 DDCDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841033640 702317304 /nfs/dbraw/zinc/31/73/04/702317304.db2.gz YTVYPLMVCUSRJS-CHWSQXEVSA-N 0 3 318.421 1.586 20 10 DDCDHN C[C@@H](NC(=O)NC[C@H]1CNCCO1)c1ccc(N(C)C)cc1 ZINC000841880705 702604908 /nfs/dbraw/zinc/60/49/08/702604908.db2.gz GMTKWMFCUPQVPZ-IUODEOHRSA-N 0 3 306.410 1.101 20 10 DDCDHN COc1ccc(N2CCN(CCc3c[nH]nn3)CC2)c(OC)c1 ZINC000879461634 706686008 /nfs/dbraw/zinc/68/60/08/706686008.db2.gz DAOXKGAKLQRDSL-UHFFFAOYSA-N 0 3 317.393 1.187 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CCNC[C@@](C)(F)C2)cc1 ZINC000844226021 702997040 /nfs/dbraw/zinc/99/70/40/702997040.db2.gz YSTOCSWBUJNWPN-QGZVFWFLSA-N 0 3 322.428 1.002 20 10 DDCDHN Cn1cnnc1N1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000848496626 703557899 /nfs/dbraw/zinc/55/78/99/703557899.db2.gz CVQCTKPUEPCBHD-UHFFFAOYSA-N 0 3 323.400 1.996 20 10 DDCDHN CN(C)c1ccc(CNC[C@H]2CN(C3CC3)C(=O)O2)cc1F ZINC000848576821 703564257 /nfs/dbraw/zinc/56/42/57/703564257.db2.gz CDJZMDHOJNQYHH-ZDUSSCGKSA-N 0 3 307.369 1.965 20 10 DDCDHN Nc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000848603497 703568417 /nfs/dbraw/zinc/56/84/17/703568417.db2.gz QDIRWEFZBFLTOV-LSDHHAIUSA-N 0 3 316.405 1.340 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)CCSC)C2)cc1 ZINC000852843678 704144784 /nfs/dbraw/zinc/14/47/84/704144784.db2.gz DUIDLBOIWZPYOB-DOMZBBRYSA-N 0 3 323.462 1.471 20 10 DDCDHN COc1ccc(N2CC[C@H](CNC(=O)CN(C)C(C)C)C2)cc1 ZINC000819583387 704145209 /nfs/dbraw/zinc/14/52/09/704145209.db2.gz WBBXUWWYDKMVME-OAHLLOKOSA-N 0 3 319.449 1.978 20 10 DDCDHN O=C1OCCN1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000853608464 704284958 /nfs/dbraw/zinc/28/49/58/704284958.db2.gz UMTVLCOPWSXMRV-UHFFFAOYSA-N 0 3 320.345 1.538 20 10 DDCDHN COCCN1CC[C@H](NC(=O)NCc2cc(C)ccc2O)C1 ZINC000858236354 704683357 /nfs/dbraw/zinc/68/33/57/704683357.db2.gz JYMMONWOOZMYDT-AWEZNQCLSA-N 0 3 307.394 1.221 20 10 DDCDHN CN1C[C@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@H]2C1 ZINC000823101998 705140454 /nfs/dbraw/zinc/14/04/54/705140454.db2.gz XYGJWUTUMMXMLC-YPMHNXCESA-N 0 3 301.350 1.625 20 10 DDCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCCCN2CCO)c([O-])c1 ZINC000824583799 705486829 /nfs/dbraw/zinc/48/68/29/705486829.db2.gz QZYHPSLCINHZDJ-HNNXBMFYSA-N 0 3 308.422 1.727 20 10 DDCDHN COc1ccc(CN2CCN(C[C@H](C)O)C[C@@H]2C)c(O)c1OC ZINC000894159132 710991983 /nfs/dbraw/zinc/99/19/83/710991983.db2.gz SDIXNNHHRYTQSK-STQMWFEESA-N 0 3 324.421 1.296 20 10 DDCDHN Cc1ccc(CN2CCC(N(C)S(C)(=O)=O)CC2)c(O)c1 ZINC000876641232 705797985 /nfs/dbraw/zinc/79/79/85/705797985.db2.gz LZDOLRPSLNPJDN-UHFFFAOYSA-N 0 3 312.435 1.556 20 10 DDCDHN COC(=O)CC[C@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827005203 705911332 /nfs/dbraw/zinc/91/13/32/705911332.db2.gz SNGLDPDWSTZOKR-HNNXBMFYSA-N 0 3 319.405 1.184 20 10 DDCDHN CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000876996509 705952313 /nfs/dbraw/zinc/95/23/13/705952313.db2.gz XIUFHGMKECIYIL-UHFFFAOYSA-N 0 3 312.435 1.732 20 10 DDCDHN CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC000877074395 705977459 /nfs/dbraw/zinc/97/74/59/705977459.db2.gz ITOJDSVBELAWDU-KRWDZBQOSA-N 0 3 312.417 1.691 20 10 DDCDHN COc1ccc(N2CCCN(C(=O)[C@H](N)C3CCC3)CC2)cc1 ZINC000827459051 706006784 /nfs/dbraw/zinc/00/67/84/706006784.db2.gz RQEWWRXWHNNAMB-QGZVFWFLSA-N 0 3 317.433 1.861 20 10 DDCDHN C[C@@H]1CC(=O)NCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877530034 706133478 /nfs/dbraw/zinc/13/34/78/706133478.db2.gz BWAKNAGGIMVTEF-CQSZACIVSA-N 0 3 317.433 1.358 20 10 DDCDHN CC(=O)NCCN(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877605489 706157048 /nfs/dbraw/zinc/15/70/48/706157048.db2.gz CRKNHFANSJVGEC-UHFFFAOYSA-N 0 3 305.422 1.216 20 10 DDCDHN CN1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H](CO)C1 ZINC000877644138 706168230 /nfs/dbraw/zinc/16/82/30/706168230.db2.gz MMBYJQVLSRAUKF-SFHVURJKSA-N 0 3 303.450 1.785 20 10 DDCDHN COc1cc(O)c(CN[C@@H]2C[C@H]3CCCCN3C2=O)cc1OC ZINC000835072236 707167275 /nfs/dbraw/zinc/16/72/75/707167275.db2.gz DCWIVFMUEWXAMR-CHWSQXEVSA-N 0 3 320.389 1.652 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]([C@@H]3CCCO3)C1)[C@@H](O)CO2 ZINC000884481584 708312536 /nfs/dbraw/zinc/31/25/36/708312536.db2.gz NBRJFWJWAHFCCG-UVBJJODRSA-N 0 3 305.374 1.819 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]([C@@H]3CCCO3)C1)[C@@H](O)CO2 ZINC000884481584 708312540 /nfs/dbraw/zinc/31/25/40/708312540.db2.gz NBRJFWJWAHFCCG-UVBJJODRSA-N 0 3 305.374 1.819 20 10 DDCDHN CN(C)c1ccc([C@@H](CNCc2nccn2C)N(C)C)cc1 ZINC000898450845 708644249 /nfs/dbraw/zinc/64/42/49/708644249.db2.gz FWWWTIIURRFAJK-MRXNPFEDSA-N 0 3 301.438 1.879 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CCCF)cc2=O ZINC000887140244 708970616 /nfs/dbraw/zinc/97/06/16/708970616.db2.gz WNDWQQSZXKPBTM-UHFFFAOYSA-N 0 3 310.329 1.403 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)NC/C=C\CO)N(C)C)cc1 ZINC000899098839 708982267 /nfs/dbraw/zinc/98/22/67/708982267.db2.gz SYAOGSOCNPFTRW-KJPDOMRESA-N 0 3 320.437 1.203 20 10 DDCDHN CC[C@H](O)[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247723 710140596 /nfs/dbraw/zinc/14/05/96/710140596.db2.gz UPSMJIWHZGTPMY-XKQJLSEDSA-N 0 3 321.465 1.879 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnco2)N(C)C)cc1 ZINC000891249676 710141960 /nfs/dbraw/zinc/14/19/60/710141960.db2.gz VPDDCHUWISKLGR-CQSZACIVSA-N 0 3 302.378 1.773 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccon2)N(C)C)cc1 ZINC000891255684 710144029 /nfs/dbraw/zinc/14/40/29/710144029.db2.gz QYOUTTRZMJYEIN-HNNXBMFYSA-N 0 3 302.378 1.773 20 10 DDCDHN CC[C@@H](CO)N1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892131054 710377574 /nfs/dbraw/zinc/37/75/74/710377574.db2.gz DHOSGJJWEQUULR-AWEZNQCLSA-N 0 3 324.421 1.298 20 10 DDCDHN CO[C@]1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCS(=O)(=O)C1 ZINC000903365331 711105640 /nfs/dbraw/zinc/10/56/40/711105640.db2.gz MBZNETWKVATEQB-DOMZBBRYSA-N 0 3 313.419 1.555 20 10 DDCDHN COc1ccc(CN2CCC[C@@](CO)(OC)C2)c(O)c1OC ZINC000895338608 711488571 /nfs/dbraw/zinc/48/85/71/711488571.db2.gz SVPYJIDUYSGFLY-MRXNPFEDSA-N 0 3 311.378 1.383 20 10 DDCDHN C[NH+](C)CCn1ccc(C(=O)NCc2c([O-])cccc2F)n1 ZINC000928705571 713468770 /nfs/dbraw/zinc/46/87/70/713468770.db2.gz JZMMOMHPBPAFAH-UHFFFAOYSA-N 0 3 306.341 1.219 20 10 DDCDHN CN(C)c1ccc(CNC(C)(C)CNS(C)(=O)=O)cc1F ZINC000922637227 714107653 /nfs/dbraw/zinc/10/76/53/714107653.db2.gz VVYUESOMLOXZRK-UHFFFAOYSA-N 0 3 317.430 1.309 20 10 DDCDHN CCN1C[C@@H](NC(=O)c2cc(OC)nc(OC)c2)CC[C@@H]1C ZINC001071644943 769782455 /nfs/dbraw/zinc/78/24/55/769782455.db2.gz DTGDMDNVWRXYBG-AAEUAGOBSA-N 0 3 307.394 1.701 20 10 DDCDHN CN1CCCc2cc(CN3CCC(NC(N)=O)CC3)ccc21 ZINC001138354513 860070921 /nfs/dbraw/zinc/07/09/21/860070921.db2.gz MCJIEVQAECBJRJ-UHFFFAOYSA-N 0 3 302.422 1.702 20 10 DDCDHN C[C@]1(O)COCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141075039 860782511 /nfs/dbraw/zinc/78/25/11/860782511.db2.gz WYXNIOFRPQCCAF-LJQANCHMSA-N 0 3 316.445 1.969 20 10 DDCDHN CCOc1ccc(N2CCN(CCC3OCCO3)CC2)cc1 ZINC001320273818 866607349 /nfs/dbraw/zinc/60/73/49/866607349.db2.gz AKGNVZDPQKVXCZ-UHFFFAOYSA-N 0 3 306.406 1.970 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001321015709 867218973 /nfs/dbraw/zinc/21/89/73/867218973.db2.gz MIOZIQCHYYYLSE-CQSZACIVSA-N 0 3 309.406 1.916 20 10 DDCDHN O=C(C1CC[NH+](Cc2ccccc2[O-])CC1)N1CCC(=O)CC1 ZINC001203557026 870639014 /nfs/dbraw/zinc/63/90/14/870639014.db2.gz YGYJNEIVMDDMJY-UHFFFAOYSA-N 0 3 316.401 1.796 20 10 DDCDHN CCOC(=O)c1cnc2n1CC[N@@H+](Cc1ccccc1[O-])CC2 ZINC001203558664 870640782 /nfs/dbraw/zinc/64/07/82/870640782.db2.gz SXSJZLQOMIAJPK-UHFFFAOYSA-N 0 3 315.373 1.824 20 10 DDCDHN CCOC(=O)c1cnc2n1CC[N@H+](Cc1ccccc1[O-])CC2 ZINC001203558664 870640794 /nfs/dbraw/zinc/64/07/94/870640794.db2.gz SXSJZLQOMIAJPK-UHFFFAOYSA-N 0 3 315.373 1.824 20 10 DDCDHN COc1ccc(O)c(CN2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)c1 ZINC001203669521 870703403 /nfs/dbraw/zinc/70/34/03/870703403.db2.gz AKRXIGPYUOUVEE-BMFZPTHFSA-N 0 3 320.389 1.221 20 10 DDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CNCCN1C ZINC001343526465 872660775 /nfs/dbraw/zinc/66/07/75/872660775.db2.gz QAKKALWASDGVIK-QGZVFWFLSA-N 0 3 318.465 1.393 20 10 DDCDHN CN(Cc1ccccc1O)c1nnc([C@@H]2CCCN(C)C2)n1C ZINC001350843304 875919317 /nfs/dbraw/zinc/91/93/17/875919317.db2.gz VRHRDEBYQDMEAI-CQSZACIVSA-N 0 3 315.421 1.966 20 10 DDCDHN CCOc1cccc(CN2CC3(C2)CCOC[C@H]3C(N)=O)c1O ZINC001277453624 884430265 /nfs/dbraw/zinc/43/02/65/884430265.db2.gz DAOPLNYOISXINK-ZDUSSCGKSA-N 0 3 320.389 1.115 20 10 DDCDHN [O-]c1c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cccc1OC(F)(F)F ZINC001233728619 887255013 /nfs/dbraw/zinc/25/50/13/887255013.db2.gz XOYGMWYLJKJRPM-MNOVXSKESA-N 0 3 321.295 1.466 20 10 DDCDHN [O-]c1c(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)cccc1OC(F)(F)F ZINC001233728619 887255028 /nfs/dbraw/zinc/25/50/28/887255028.db2.gz XOYGMWYLJKJRPM-MNOVXSKESA-N 0 3 321.295 1.466 20 10 DDCDHN [NH3+][C@H]1CCN(Cc2ccc(I)cc2[O-])C1 ZINC001236173551 889125583 /nfs/dbraw/zinc/12/55/83/889125583.db2.gz OKOVIQJAYAYKEO-JTQLQIEISA-N 0 3 318.158 1.530 20 10 DDCDHN COCC(=O)N[C@@H]1CCCN(Cc2c(C)cc(OC)cc2O)C1 ZINC001236815979 889370587 /nfs/dbraw/zinc/37/05/87/889370587.db2.gz PRGMOGYHZLFRFI-CYBMUJFWSA-N 0 3 322.405 1.436 20 10 DDCDHN COC(=O)CN1CCN(Cc2cc3ccccc3cc2O)CC1 ZINC001236834560 889376413 /nfs/dbraw/zinc/37/64/13/889376413.db2.gz AEASYXOVSVRMPQ-UHFFFAOYSA-N 0 3 314.385 1.836 20 10 DDCDHN CC(C)c1ccc(CN2CC(N3CCN(C)CC3)C2)c(O)c1 ZINC001237054966 889483628 /nfs/dbraw/zinc/48/36/28/889483628.db2.gz JYGCVLRUXLIBGZ-UHFFFAOYSA-N 0 3 303.450 1.947 20 10 DDCDHN C[C@H]1CCCN1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237202675 889542543 /nfs/dbraw/zinc/54/25/43/889542543.db2.gz JLHPNOKTVAHWDA-AWEZNQCLSA-N 0 3 308.447 1.906 20 10 DDCDHN COc1cc(CN2CCC[C@H](n3cncn3)C2)c(O)c(OC)c1 ZINC001237678445 889799380 /nfs/dbraw/zinc/79/93/80/889799380.db2.gz OFMAJZRBKKZXPI-ZDUSSCGKSA-N 0 3 318.377 1.838 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c([O-])c1 ZINC001249173214 893853427 /nfs/dbraw/zinc/85/34/27/893853427.db2.gz SBRPXSWCTONYJC-CYBMUJFWSA-N 0 3 307.390 1.702 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](CO)CC2)c([O-])c1 ZINC001249173214 893853446 /nfs/dbraw/zinc/85/34/46/893853446.db2.gz SBRPXSWCTONYJC-CYBMUJFWSA-N 0 3 307.390 1.702 20 10 DDCDHN Cc1ccc(O)c(CN2CCCC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000093014820 193193312 /nfs/dbraw/zinc/19/33/12/193193312.db2.gz RVBRJVVQHSQTIO-MRXNPFEDSA-N 0 3 318.417 1.914 20 10 DDCDHN C[C@H](O)CN1CCN(Cc2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000284417813 131078811 /nfs/dbraw/zinc/07/88/11/131078811.db2.gz QZUZBYRHCFADHR-NEPJUHHUSA-N 0 3 308.378 1.008 20 10 DDCDHN C[C@@H](O)CN1CCN(Cc2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000284417825 131079222 /nfs/dbraw/zinc/07/92/22/131079222.db2.gz QZUZBYRHCFADHR-VXGBXAGGSA-N 0 3 308.378 1.008 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(CC)CCOC)cc2=O ZINC000299118833 132089794 /nfs/dbraw/zinc/08/97/94/132089794.db2.gz FJFYMFNLWNJLTP-UHFFFAOYSA-N 0 3 322.365 1.080 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H](C)CCN2CCN(C)CC2)c1 ZINC000185875162 407526624 /nfs/dbraw/zinc/52/66/24/407526624.db2.gz RGHZVJTVTWTUJU-HNNXBMFYSA-N 0 3 321.465 1.907 20 10 DDCDHN CCCCN(CCCO)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000271757264 407731429 /nfs/dbraw/zinc/73/14/29/407731429.db2.gz OFIBGMNTVWNIPI-UHFFFAOYSA-N 0 3 321.465 1.853 20 10 DDCDHN CN(C)c1ccc(CNC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000173227171 407870335 /nfs/dbraw/zinc/87/03/35/407870335.db2.gz OZORKTMXIQNWCQ-KRWDZBQOSA-N 0 3 314.433 1.908 20 10 DDCDHN CN1CCC[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000154149150 407981719 /nfs/dbraw/zinc/98/17/19/407981719.db2.gz YYQZQADOTXDSRG-KRWDZBQOSA-N 0 3 314.433 1.956 20 10 DDCDHN COCCCN1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000378207474 418719918 /nfs/dbraw/zinc/71/99/18/418719918.db2.gz RRFKTRWLJRLXIF-UHFFFAOYSA-N 0 3 305.422 1.382 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369128446 418728941 /nfs/dbraw/zinc/72/89/41/418728941.db2.gz UNRCIWPGVOQHQK-YUTCNCBUSA-N 0 3 302.374 1.654 20 10 DDCDHN O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369128446 418728942 /nfs/dbraw/zinc/72/89/42/418728942.db2.gz UNRCIWPGVOQHQK-YUTCNCBUSA-N 0 3 302.374 1.654 20 10 DDCDHN CC[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1ccccc1[O-] ZINC000362258610 418751511 /nfs/dbraw/zinc/75/15/11/418751511.db2.gz RHYLFNVXBSPZJO-KBPBESRZSA-N 0 3 314.389 1.972 20 10 DDCDHN COc1cccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1O ZINC000371326177 418779384 /nfs/dbraw/zinc/77/93/84/418779384.db2.gz HYRVYFWQGRPMKS-LSDHHAIUSA-N 0 3 306.406 1.432 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CCCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000373195906 418931414 /nfs/dbraw/zinc/93/14/14/418931414.db2.gz OZMDQRKDHQDGIH-UHFFFAOYSA-N 0 3 321.377 1.979 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CCCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000373195906 418931415 /nfs/dbraw/zinc/93/14/15/418931415.db2.gz OZMDQRKDHQDGIH-UHFFFAOYSA-N 0 3 321.377 1.979 20 10 DDCDHN COc1c([O-])c(CN2CCC[N@@H+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000373195906 418931416 /nfs/dbraw/zinc/93/14/16/418931416.db2.gz OZMDQRKDHQDGIH-UHFFFAOYSA-N 0 3 321.377 1.979 20 10 DDCDHN COc1c([O-])c(CN2CCC[N@H+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000373195906 418931417 /nfs/dbraw/zinc/93/14/17/418931417.db2.gz OZMDQRKDHQDGIH-UHFFFAOYSA-N 0 3 321.377 1.979 20 10 DDCDHN COC[C@@H](C)OC[C@@H](O)CNCc1c(C)c2ccccc2n1C ZINC000572114508 421763840 /nfs/dbraw/zinc/76/38/40/421763840.db2.gz YOQKLVAZWLVLAX-HIFRSBDPSA-N 0 3 320.433 1.989 20 10 DDCDHN C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccccc1[O-] ZINC000527944661 307522841 /nfs/dbraw/zinc/52/28/41/307522841.db2.gz AXWDFBRPQMGBBT-KSSFIOAISA-N 0 3 320.433 1.659 20 10 DDCDHN CCC[C@@H](N)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000236925339 520717332 /nfs/dbraw/zinc/71/73/32/520717332.db2.gz BXBZVWJOTPKHEA-CQSZACIVSA-N 0 3 309.385 1.610 20 10 DDCDHN CCOc1cccc(CN2CCC[C@@]3(CNC(=O)O3)C2)c1O ZINC000364890005 521336195 /nfs/dbraw/zinc/33/61/95/521336195.db2.gz JIXWZJWGMQIATF-MRXNPFEDSA-N 0 3 306.362 1.865 20 10 DDCDHN CC[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N(C)C ZINC000124611974 523752549 /nfs/dbraw/zinc/75/25/49/523752549.db2.gz OPLFVAXJAAPNMA-QGZVFWFLSA-N 0 3 319.449 1.822 20 10 DDCDHN CC(=O)N1CCN(CC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000295839142 534792658 /nfs/dbraw/zinc/79/26/58/534792658.db2.gz FMRSSSYZSLJZBN-OAHLLOKOSA-N 0 3 303.406 1.133 20 10 DDCDHN COc1ccc(O)c(CN2CCC(N3CCCC3=O)CC2)c1 ZINC000180053658 524737362 /nfs/dbraw/zinc/73/73/62/524737362.db2.gz XQKDLJBFOWPHHJ-UHFFFAOYSA-N 0 3 304.390 1.988 20 10 DDCDHN O=C(CNC[C@@H]1CCCO1)NCCCSc1nccs1 ZINC000237898202 697813995 /nfs/dbraw/zinc/81/39/95/697813995.db2.gz HRDIDYNZXORJCZ-NSHDSACASA-N 0 3 315.464 1.510 20 10 DDCDHN C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(N)=O ZINC000775198706 697970714 /nfs/dbraw/zinc/97/07/14/697970714.db2.gz DMGIBDFPWLEFOX-GFCCVEGCSA-N 0 3 300.358 1.935 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c([O-])c1 ZINC000742391117 699876634 /nfs/dbraw/zinc/87/66/34/699876634.db2.gz DOOKYBNGJUBGQM-UXIGCNINSA-N 0 3 304.390 1.890 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@](C)(COC)CC(=O)OC)c([O-])c1 ZINC000757926121 700676615 /nfs/dbraw/zinc/67/66/15/700676615.db2.gz JUUYRDCCQMXMLU-MRXNPFEDSA-N 0 3 311.378 1.849 20 10 DDCDHN CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000809709777 701682236 /nfs/dbraw/zinc/68/22/36/701682236.db2.gz IAVJWKAICNYJCS-CYBMUJFWSA-N 0 3 316.398 1.435 20 10 DDCDHN COc1cc(Br)cc(C[N@H+](C)CCC(N)=O)c1[O-] ZINC000809713256 701682342 /nfs/dbraw/zinc/68/23/42/701682342.db2.gz FMOKRAUXSYJZKX-UHFFFAOYSA-N 0 3 317.183 1.471 20 10 DDCDHN COc1cc(Br)cc(C[N@@H+](C)CCC(N)=O)c1[O-] ZINC000809713256 701682346 /nfs/dbraw/zinc/68/23/46/701682346.db2.gz FMOKRAUXSYJZKX-UHFFFAOYSA-N 0 3 317.183 1.471 20 10 DDCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464095 701179723 /nfs/dbraw/zinc/17/97/23/701179723.db2.gz NIJCWVDZWYVMRE-CZUORRHYSA-N 0 3 307.346 1.203 20 10 DDCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464095 701179725 /nfs/dbraw/zinc/17/97/25/701179725.db2.gz NIJCWVDZWYVMRE-CZUORRHYSA-N 0 3 307.346 1.203 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000769330942 701241724 /nfs/dbraw/zinc/24/17/24/701241724.db2.gz SKRDTLPWPUWAOM-UHFFFAOYSA-N 0 3 304.390 1.988 20 10 DDCDHN OCC[C@@H]1CSCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000770305716 701274130 /nfs/dbraw/zinc/27/41/30/701274130.db2.gz JJXDGVSVHDDKMY-QGZVFWFLSA-N 0 3 322.474 1.823 20 10 DDCDHN Cc1cnn([C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)c1 ZINC000811802131 702063020 /nfs/dbraw/zinc/06/30/20/702063020.db2.gz XKYUMJUCMRUGIB-BBRMVZONSA-N 0 3 315.373 1.770 20 10 DDCDHN Cc1cnn([C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)c1 ZINC000811802131 702063028 /nfs/dbraw/zinc/06/30/28/702063028.db2.gz XKYUMJUCMRUGIB-BBRMVZONSA-N 0 3 315.373 1.770 20 10 DDCDHN NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816569430 702114986 /nfs/dbraw/zinc/11/49/86/702114986.db2.gz LGKJRXRQBSFPMO-AWEZNQCLSA-N 0 3 320.414 1.798 20 10 DDCDHN NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816569430 702114988 /nfs/dbraw/zinc/11/49/88/702114988.db2.gz LGKJRXRQBSFPMO-AWEZNQCLSA-N 0 3 320.414 1.798 20 10 DDCDHN CN(C)c1ccc([C@@H]([NH3+])C[N-]S(=O)(=O)c2ccco2)cc1 ZINC000842784470 702773199 /nfs/dbraw/zinc/77/31/99/702773199.db2.gz JZMIKGPPCZUIIE-ZDUSSCGKSA-N 0 3 309.391 1.324 20 10 DDCDHN COc1c([O-])c(CN2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843053021 702809272 /nfs/dbraw/zinc/80/92/72/702809272.db2.gz XTAIXZVOZZESSC-WDEREUQCSA-N 0 3 309.366 1.868 20 10 DDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1cccc(OC)c1O ZINC000866439602 706699436 /nfs/dbraw/zinc/69/94/36/706699436.db2.gz IFKBYRCOGLLOPS-DCAQKATOSA-N 0 3 324.377 1.118 20 10 DDCDHN COc1cc(O)c(CN[C@H]2CCN(C(C)(C)C)C2=O)cc1OC ZINC000843415281 702876829 /nfs/dbraw/zinc/87/68/29/702876829.db2.gz ICDKWPWANWYYCV-LBPRGKRZSA-N 0 3 322.405 1.898 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)[C@@H](N)C(C)(C)C)cc1 ZINC000846696759 703319127 /nfs/dbraw/zinc/31/91/27/703319127.db2.gz HQEOJGGJLJVPJQ-OAHLLOKOSA-N 0 3 307.438 1.963 20 10 DDCDHN COC(=O)CCN1CCC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1=O ZINC000879650388 706749688 /nfs/dbraw/zinc/74/96/88/706749688.db2.gz YKZKZPSJIHGDRO-TZMCWYRMSA-N 0 3 320.389 1.597 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@H](N)CC(C)C)C2)cc1 ZINC000852844485 704145147 /nfs/dbraw/zinc/14/51/47/704145147.db2.gz VBRQGCVJTFVVIN-CZUORRHYSA-N 0 3 305.422 1.764 20 10 DDCDHN C[N@H+](CCn1cnc(Br)n1)Cc1ccccc1[O-] ZINC000821392434 704402759 /nfs/dbraw/zinc/40/27/59/704402759.db2.gz ZNIDFNCBBAVACU-UHFFFAOYSA-N 0 3 311.183 1.878 20 10 DDCDHN C[N@@H+](CCn1cnc(Br)n1)Cc1ccccc1[O-] ZINC000821392434 704402760 /nfs/dbraw/zinc/40/27/60/704402760.db2.gz ZNIDFNCBBAVACU-UHFFFAOYSA-N 0 3 311.183 1.878 20 10 DDCDHN CCCN(C)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211378 704518521 /nfs/dbraw/zinc/51/85/21/704518521.db2.gz NWEHCFKAFKLQIO-UHFFFAOYSA-N 0 3 319.449 1.606 20 10 DDCDHN CN(C)c1cc(F)c(CNC2(CO)CCOCC2)cc1F ZINC000858138929 704669559 /nfs/dbraw/zinc/66/95/59/704669559.db2.gz MHGRVCHGGBEXBN-UHFFFAOYSA-N 0 3 300.349 1.662 20 10 DDCDHN Cn1cc(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)nn1 ZINC000859191290 704816570 /nfs/dbraw/zinc/81/65/70/704816570.db2.gz YTRUPDMTZZDDOZ-INIZCTEOSA-N 0 3 316.405 1.744 20 10 DDCDHN Cn1cc(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)nn1 ZINC000859191290 704816573 /nfs/dbraw/zinc/81/65/73/704816573.db2.gz YTRUPDMTZZDDOZ-INIZCTEOSA-N 0 3 316.405 1.744 20 10 DDCDHN CCON(CC)C(=O)CNCc1cc(Cl)cc(OC)c1O ZINC000862453126 705718875 /nfs/dbraw/zinc/71/88/75/705718875.db2.gz ROJUAPSQJSTDDL-UHFFFAOYSA-N 0 3 316.785 1.944 20 10 DDCDHN Cc1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(O)c1 ZINC000876789395 705877437 /nfs/dbraw/zinc/87/74/37/705877437.db2.gz ACAUGGUXQRXYDY-INIZCTEOSA-N 0 3 317.433 1.439 20 10 DDCDHN COC[C@]1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCCCN1 ZINC000876878706 705904011 /nfs/dbraw/zinc/90/40/11/705904011.db2.gz JMKMGIHMIQLQQP-PXAZEXFGSA-N 0 3 322.405 1.737 20 10 DDCDHN CC[C@@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000827365011 705985966 /nfs/dbraw/zinc/98/59/66/705985966.db2.gz NTMYAYBNZLMGBW-LALPHHSUSA-N 0 3 323.412 1.793 20 10 DDCDHN COC(=O)CNC(=O)CNCc1ccc(N2CCCCC2)cc1 ZINC000877706450 706183449 /nfs/dbraw/zinc/18/34/49/706183449.db2.gz LOFFZSSSZYAICW-UHFFFAOYSA-N 0 3 319.405 1.056 20 10 DDCDHN CCOc1ccc(C[NH2+]C2CN(c3ccncn3)C2)c([O-])c1 ZINC000865749934 706515880 /nfs/dbraw/zinc/51/58/80/706515880.db2.gz ZPMVNWYJOYYSIH-UHFFFAOYSA-N 0 3 300.362 1.559 20 10 DDCDHN CCS(=O)(=O)NCCNC/C=C/c1ccc(N(C)C)cc1 ZINC000835034474 707160417 /nfs/dbraw/zinc/16/04/17/707160417.db2.gz BBFYJHZMDFJXFB-AATRIKPKSA-N 0 3 311.451 1.295 20 10 DDCDHN C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1c1cc[nH+]cc1 ZINC000881631794 707310549 /nfs/dbraw/zinc/31/05/49/707310549.db2.gz DZOUFNYPCQNRQF-GFCCVEGCSA-N 0 3 313.357 1.844 20 10 DDCDHN CCC1(CC)CNC(=O)[C@@H]1NCc1cc2c(cc1O)OCO2 ZINC000897345430 708299032 /nfs/dbraw/zinc/29/90/32/708299032.db2.gz LRPBIIIHVXQVOK-AWEZNQCLSA-N 0 3 306.362 1.515 20 10 DDCDHN CO[C@@H]1CCOC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000897891594 708483801 /nfs/dbraw/zinc/48/38/01/708483801.db2.gz KCWWTWIDESSUPR-NVXWUHKLSA-N 0 3 324.396 1.556 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=S)NC2CC2)N(C)C)cc1 ZINC000899724125 709174622 /nfs/dbraw/zinc/17/46/22/709174622.db2.gz KGQREMFAVWACMC-OAHLLOKOSA-N 0 3 306.479 1.982 20 10 DDCDHN CN(C)c1ccc([C@@H](CN2C(=O)CN(C)C2=O)N(C)C)cc1 ZINC000900186055 709319823 /nfs/dbraw/zinc/31/98/23/709319823.db2.gz VPOQDZCDMGSNAF-CQSZACIVSA-N 0 3 304.394 1.249 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccon2)N(C)C)cc1 ZINC000891255685 710143993 /nfs/dbraw/zinc/14/39/93/710143993.db2.gz QYOUTTRZMJYEIN-OAHLLOKOSA-N 0 3 302.378 1.773 20 10 DDCDHN O=c1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2)nc[n-]1 ZINC000903399245 711114512 /nfs/dbraw/zinc/11/45/12/711114512.db2.gz MNANBLPPCLIXEZ-CHWSQXEVSA-N 0 3 312.373 1.744 20 10 DDCDHN OC[C@@]1(C(F)(F)F)CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000895845719 711623807 /nfs/dbraw/zinc/62/38/07/711623807.db2.gz OOJOMIFPQRYJFM-CYBMUJFWSA-N 0 3 319.279 1.868 20 10 DDCDHN Oc1cc(OCc2ccccc2)ccc1CN[C@@H]1CNOC1 ZINC000904424887 711856345 /nfs/dbraw/zinc/85/63/45/711856345.db2.gz PHMRCFFSKMZRQZ-OAHLLOKOSA-N 0 3 300.358 1.964 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000919081993 713580984 /nfs/dbraw/zinc/58/09/84/713580984.db2.gz QDRDQFBSFRGWPD-CJNGLKHVSA-N 0 3 304.438 1.953 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]([NH2+]CCO)C2)c1[O-] ZINC000923404598 714344362 /nfs/dbraw/zinc/34/43/62/714344362.db2.gz YXWAYGGCBYZZIV-CQSZACIVSA-N 0 3 310.369 1.280 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924673044 714636092 /nfs/dbraw/zinc/63/60/92/714636092.db2.gz UAHRJUATDSZWSU-CQSZACIVSA-N 0 3 304.394 1.043 20 10 DDCDHN COC1(OC)CC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000924747949 714654991 /nfs/dbraw/zinc/65/49/91/714654991.db2.gz BITXPHLWKRFWMU-INIZCTEOSA-N 0 3 306.406 1.764 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3[O-])CC[C@H]21 ZINC001203551751 751197491 /nfs/dbraw/zinc/19/74/91/751197491.db2.gz MLYVJPNRHPUULU-WBVHZDCISA-N 0 3 304.390 1.604 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3[O-])CC[C@H]21 ZINC001203551751 751197495 /nfs/dbraw/zinc/19/74/95/751197495.db2.gz MLYVJPNRHPUULU-WBVHZDCISA-N 0 3 304.390 1.604 20 10 DDCDHN CCCN1CCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001007793456 752355827 /nfs/dbraw/zinc/35/58/27/752355827.db2.gz RBQLIXOJBAFVRD-CYBMUJFWSA-N 0 3 307.394 1.703 20 10 DDCDHN CCCN1CCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001007793461 752356368 /nfs/dbraw/zinc/35/63/68/752356368.db2.gz RBQLIXOJBAFVRD-ZDUSSCGKSA-N 0 3 307.394 1.703 20 10 DDCDHN Cc1c[nH+]ccc1N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001148219019 773399361 /nfs/dbraw/zinc/39/93/61/773399361.db2.gz RQOKSUXZZUANBY-UHFFFAOYSA-N 0 3 313.357 1.764 20 10 DDCDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(N)cc2)CC1 ZINC001120371078 781901606 /nfs/dbraw/zinc/90/16/06/781901606.db2.gz OWVJHSPRRXNLSU-MRXNPFEDSA-N 0 3 302.422 1.007 20 10 DDCDHN CN(C)C(=O)CN1CC2(C1)CCC[N@H+](Cc1ccccc1[O-])C2 ZINC001275267864 852939888 /nfs/dbraw/zinc/93/98/88/852939888.db2.gz ZICURJJIJJXZNA-UHFFFAOYSA-N 0 3 317.433 1.378 20 10 DDCDHN CN(C)C(=O)CN1CC2(C1)CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC001275267864 852939901 /nfs/dbraw/zinc/93/99/01/852939901.db2.gz ZICURJJIJJXZNA-UHFFFAOYSA-N 0 3 317.433 1.378 20 10 DDCDHN CC(C)NC(=O)N1CCO[C@H]2CN(Cc3ccccc3O)C[C@@H]21 ZINC001275267493 852940703 /nfs/dbraw/zinc/94/07/03/852940703.db2.gz PTZFSAZYUKEYSS-HOCLYGCPSA-N 0 3 319.405 1.395 20 10 DDCDHN CC(C)NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(O)cc3[O-])[C@@H]2C1 ZINC001275953463 854008370 /nfs/dbraw/zinc/00/83/70/854008370.db2.gz XLMQUBAGKUZQKX-SWLSCSKDSA-N 0 3 319.405 1.722 20 10 DDCDHN CC(C)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])[C@@H]2C1 ZINC001275953463 854008375 /nfs/dbraw/zinc/00/83/75/854008375.db2.gz XLMQUBAGKUZQKX-SWLSCSKDSA-N 0 3 319.405 1.722 20 10 DDCDHN COC[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC001139410745 860389363 /nfs/dbraw/zinc/38/93/63/860389363.db2.gz BPIONUCFHRASAY-SFHVURJKSA-N 0 3 319.449 1.286 20 10 DDCDHN CC1=NO[C@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001331583870 865165882 /nfs/dbraw/zinc/16/58/82/865165882.db2.gz NUWGWNUKENUURJ-HNNXBMFYSA-N 0 3 320.412 1.832 20 10 DDCDHN O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1ccccc1[O-])CCO2 ZINC001320417724 866720750 /nfs/dbraw/zinc/72/07/50/866720750.db2.gz SVXIYYGHMAKZLY-UKRRQHHQSA-N 0 3 311.403 1.218 20 10 DDCDHN COc1ccc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c([O-])c1 ZINC001203628794 870681786 /nfs/dbraw/zinc/68/17/86/870681786.db2.gz IJYOTFLSKGMEGF-UHFFFAOYSA-N 0 3 306.362 1.865 20 10 DDCDHN C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3c([O-])cccc3F)[C@@H]2C1 ZINC001351848481 876462633 /nfs/dbraw/zinc/46/26/33/876462633.db2.gz LLBLMMVBPKVDLH-SUHUHFCYSA-N 0 3 307.369 1.671 20 10 DDCDHN C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3c([O-])cccc3F)[C@@H]2C1 ZINC001351848481 876462639 /nfs/dbraw/zinc/46/26/39/876462639.db2.gz LLBLMMVBPKVDLH-SUHUHFCYSA-N 0 3 307.369 1.671 20 10 DDCDHN COC(=O)c1cn([C@@H]2CCN(Cc3ccc(N)cc3)C2)nn1 ZINC001356083171 878860137 /nfs/dbraw/zinc/86/01/37/878860137.db2.gz LSLPSIIKUYZHOT-CYBMUJFWSA-N 0 3 301.350 1.094 20 10 DDCDHN CC(C)(C)NC(=O)[C@@]12C[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001276913616 881066503 /nfs/dbraw/zinc/06/65/03/881066503.db2.gz GQVRBKGGXSXCSF-SJKOYZFVSA-N 0 3 304.390 1.834 20 10 DDCDHN COc1ccc(CN2CC3(C2)SCC[C@H]3C(N)=O)c(O)c1 ZINC001277454247 884447495 /nfs/dbraw/zinc/44/74/95/884447495.db2.gz OVHWOQOCTDTVSX-LBPRGKRZSA-N 0 3 308.403 1.194 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CCC2(C[C@@H](O)CO2)CC1 ZINC001231852483 885907987 /nfs/dbraw/zinc/90/79/87/885907987.db2.gz WJFVUODJMJNYHK-MRXNPFEDSA-N 0 3 320.433 1.877 20 10 DDCDHN NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233728424 887253587 /nfs/dbraw/zinc/25/35/87/887253587.db2.gz WVCXJLNTGQMZPA-SNVBAGLBSA-N 0 3 318.295 1.988 20 10 DDCDHN NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])C1 ZINC001233728424 887253601 /nfs/dbraw/zinc/25/36/01/887253601.db2.gz WVCXJLNTGQMZPA-SNVBAGLBSA-N 0 3 318.295 1.988 20 10 DDCDHN OC[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236920916 889420037 /nfs/dbraw/zinc/42/00/37/889420037.db2.gz IEIUKVIVGNOQSU-ZDUSSCGKSA-N 0 3 310.825 1.991 20 10 DDCDHN Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2c(C)cccc2[O-])C3)n1 ZINC001237485715 889662323 /nfs/dbraw/zinc/66/23/23/889662323.db2.gz KXZSRQUENOUSOL-CXAGYDPISA-N 0 3 315.373 1.792 20 10 DDCDHN Cc1noc([C@]23COC[C@H]2C[N@@H+](Cc2c(C)cccc2[O-])C3)n1 ZINC001237485715 889662330 /nfs/dbraw/zinc/66/23/30/889662330.db2.gz KXZSRQUENOUSOL-CXAGYDPISA-N 0 3 315.373 1.792 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@H+](Cc3c(C)cccc3[O-])CC[C@@H]21 ZINC001237487268 889664994 /nfs/dbraw/zinc/66/49/94/889664994.db2.gz XIUAWDKDDWVUPC-WMZOPIPTSA-N 0 3 318.417 1.912 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3c(C)cccc3[O-])CC[C@@H]21 ZINC001237487268 889664997 /nfs/dbraw/zinc/66/49/97/889664997.db2.gz XIUAWDKDDWVUPC-WMZOPIPTSA-N 0 3 318.417 1.912 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)c([O-])c1 ZINC001249172097 893849117 /nfs/dbraw/zinc/84/91/17/893849117.db2.gz IWTMBOPWPQQJGC-QGZVFWFLSA-N 0 3 307.390 1.845 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@](C)(O)CC2)c([O-])c1 ZINC001249172097 893849128 /nfs/dbraw/zinc/84/91/28/893849128.db2.gz IWTMBOPWPQQJGC-QGZVFWFLSA-N 0 3 307.390 1.845 20 10 DDCDHN COCCOc1ccc(N2CCN(CC(C)(C)O)CC2)cc1 ZINC001252356273 895103109 /nfs/dbraw/zinc/10/31/09/895103109.db2.gz VNDSYMHHJTVOHI-UHFFFAOYSA-N 0 3 308.422 1.605 20 10 DDCDHN NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc2c(cc1O)OCO2 ZINC000371413424 283331404 /nfs/dbraw/zinc/33/14/04/283331404.db2.gz SFBCBPADRWCTGS-RTXFEEFZSA-N 0 3 318.373 1.739 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)S(C)(=O)=O ZINC000298698420 285101331 /nfs/dbraw/zinc/10/13/31/285101331.db2.gz FRFHSDBTQHWPFI-LBPRGKRZSA-N 0 3 312.435 1.534 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)C[C@H](C)OC)cc2=O ZINC000285890648 131208576 /nfs/dbraw/zinc/20/85/76/131208576.db2.gz ZFTPSEWFRQOVGY-JTQLQIEISA-N 0 3 322.365 1.078 20 10 DDCDHN COc1cccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000092218288 407187439 /nfs/dbraw/zinc/18/74/39/407187439.db2.gz JYQGZXMZNROCKS-OAHLLOKOSA-N 0 3 306.406 1.697 20 10 DDCDHN COc1cccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000092218288 407187440 /nfs/dbraw/zinc/18/74/40/407187440.db2.gz JYQGZXMZNROCKS-OAHLLOKOSA-N 0 3 306.406 1.697 20 10 DDCDHN CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C(=O)N1CCOCC1 ZINC000185665684 407472849 /nfs/dbraw/zinc/47/28/49/407472849.db2.gz DGSFGJWTGTWDAS-BXUZGUMPSA-N 0 3 310.369 1.819 20 10 DDCDHN C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000271715212 407729399 /nfs/dbraw/zinc/72/93/99/407729399.db2.gz WNVYXHLQWNHHPW-DOMZBBRYSA-N 0 3 314.389 1.972 20 10 DDCDHN COCCN1CC[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000271827993 407732591 /nfs/dbraw/zinc/73/25/91/407732591.db2.gz OEUPHZDGOAJZLJ-CYBMUJFWSA-N 0 3 310.394 1.220 20 10 DDCDHN Oc1cc2c(cc1CN1CCOCC3(CCOCC3)C1)OCO2 ZINC000272931307 408018702 /nfs/dbraw/zinc/01/87/02/408018702.db2.gz IMYQDDGTJLYTAO-UHFFFAOYSA-N 0 3 321.373 1.750 20 10 DDCDHN CC[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000183326507 408379796 /nfs/dbraw/zinc/37/97/96/408379796.db2.gz RPUIQWDIJDIZOL-GJZGRUSLSA-N 0 3 314.389 1.972 20 10 DDCDHN C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000183474096 408422051 /nfs/dbraw/zinc/42/20/51/408422051.db2.gz HWMNKHJBOMYTAB-GFCCVEGCSA-N 0 3 312.435 1.714 20 10 DDCDHN COc1cccc(C[NH2+]C2CCN(c3cccnn3)CC2)c1[O-] ZINC000277690588 408993260 /nfs/dbraw/zinc/99/32/60/408993260.db2.gz QJCIRPMMQCSFMQ-UHFFFAOYSA-N 0 3 314.389 1.949 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1OC ZINC000283147944 409098219 /nfs/dbraw/zinc/09/82/19/409098219.db2.gz XHZLISRUFDMOAA-OAHLLOKOSA-N 0 3 320.389 1.700 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000295019394 409309180 /nfs/dbraw/zinc/30/91/80/409309180.db2.gz KJMICSDRNUPMMF-QWRGUYRKSA-N 0 3 316.423 1.379 20 10 DDCDHN COC(=O)[C@]12C[N@H+](Cc3cccc(C)c3[O-])C[C@H]1COCC2 ZINC000373483175 418434102 /nfs/dbraw/zinc/43/41/02/418434102.db2.gz IRKVLNJGZWJOKM-WMLDXEAASA-N 0 3 305.374 1.712 20 10 DDCDHN COC(=O)[C@]12C[N@@H+](Cc3cccc(C)c3[O-])C[C@H]1COCC2 ZINC000373483175 418434104 /nfs/dbraw/zinc/43/41/04/418434104.db2.gz IRKVLNJGZWJOKM-WMLDXEAASA-N 0 3 305.374 1.712 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000290507162 418576406 /nfs/dbraw/zinc/57/64/06/418576406.db2.gz PJOIPXWHXKQGQS-CYBMUJFWSA-N 0 3 304.390 1.845 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000290507162 418576409 /nfs/dbraw/zinc/57/64/09/418576409.db2.gz PJOIPXWHXKQGQS-CYBMUJFWSA-N 0 3 304.390 1.845 20 10 DDCDHN COc1cc(Cl)cc(CN[C@H]2CCS(=O)(=O)C2)c1O ZINC000228561038 222206076 /nfs/dbraw/zinc/20/60/76/222206076.db2.gz AEOOZFXICJAERO-JTQLQIEISA-N 0 3 305.783 1.331 20 10 DDCDHN O=C1C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@H]2CCCCN12 ZINC000369212357 418730204 /nfs/dbraw/zinc/73/02/04/418730204.db2.gz DEKWZZBUZUDGNR-VXGBXAGGSA-N 0 3 304.346 1.364 20 10 DDCDHN CN(C)c1ccc(CN[C@H]2CCN(c3cnn(C)c3)C2)cc1F ZINC000370905325 418749100 /nfs/dbraw/zinc/74/91/00/418749100.db2.gz OUVMCZNGCIIOKY-AWEZNQCLSA-N 0 3 317.412 1.994 20 10 DDCDHN CCOc1cccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O ZINC000368964362 418727160 /nfs/dbraw/zinc/72/71/60/418727160.db2.gz OHEHWCWLRIANHP-NJZAAPMLSA-N 0 3 304.390 1.877 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000372575006 418884801 /nfs/dbraw/zinc/88/48/01/418884801.db2.gz ZLEGSWCRDFLIPG-OCCSQVGLSA-N 0 3 312.435 1.857 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000372575006 418884804 /nfs/dbraw/zinc/88/48/04/418884804.db2.gz ZLEGSWCRDFLIPG-OCCSQVGLSA-N 0 3 312.435 1.857 20 10 DDCDHN CCOCc1cc(CNC[C@H](O)[C@@H]2CCCO2)ccc1OC ZINC000527759322 302981574 /nfs/dbraw/zinc/98/15/74/302981574.db2.gz SVBMRFVFNKZUGV-RDJZCZTQSA-N 0 3 309.406 1.861 20 10 DDCDHN CC[C@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000236918270 522329302 /nfs/dbraw/zinc/32/93/02/522329302.db2.gz MXIYJDUZCOPPII-AWEZNQCLSA-N 0 3 309.385 1.140 20 10 DDCDHN COc1cc(O)c(CN2CCC[C@H](CNC(C)=O)C2)cc1OC ZINC000159986874 522774245 /nfs/dbraw/zinc/77/42/45/522774245.db2.gz UVAPKMOPWICFCQ-CYBMUJFWSA-N 0 3 322.405 1.758 20 10 DDCDHN Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)c1O ZINC000180029113 524390619 /nfs/dbraw/zinc/39/06/19/524390619.db2.gz ZHNIXVPZBOCLFL-MRXNPFEDSA-N 0 3 318.417 1.914 20 10 DDCDHN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CN1C1CC1 ZINC000180854120 525422315 /nfs/dbraw/zinc/42/23/15/525422315.db2.gz OHNBIYUWPGJCRP-FZKQWKSJSA-N 0 3 302.374 1.852 20 10 DDCDHN Nc1ccc(CC(=O)N2C[C@H](N)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000364209082 527476494 /nfs/dbraw/zinc/47/64/94/527476494.db2.gz NGXDJCAQEPWZEZ-SJORKVTESA-N 0 3 313.376 1.904 20 10 DDCDHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc([O-])cs1 ZINC000747616455 700077781 /nfs/dbraw/zinc/07/77/81/700077781.db2.gz KLNOAXLOIZSOPQ-WXHSDQCUSA-N 0 3 310.419 1.777 20 10 DDCDHN CCN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCNC1=O ZINC000799737860 700163868 /nfs/dbraw/zinc/16/38/68/700163868.db2.gz OPLUSRSGQVLPLR-INIZCTEOSA-N 0 3 303.406 1.234 20 10 DDCDHN COCCCOCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000773271899 697736966 /nfs/dbraw/zinc/73/69/66/697736966.db2.gz OQAYVIOVQWFHPT-HNNXBMFYSA-N 0 3 311.378 1.303 20 10 DDCDHN COCCCOCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000773271899 697736970 /nfs/dbraw/zinc/73/69/70/697736970.db2.gz OQAYVIOVQWFHPT-HNNXBMFYSA-N 0 3 311.378 1.303 20 10 DDCDHN CCOCc1cc(CN[C@]2(CCO)CCOC2)ccc1OC ZINC000775031138 697956239 /nfs/dbraw/zinc/95/62/39/697956239.db2.gz YPWHTYJXIMILIU-QGZVFWFLSA-N 0 3 309.406 1.863 20 10 DDCDHN COc1c([O-])c(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775071582 697960292 /nfs/dbraw/zinc/96/02/92/697960292.db2.gz BLJYOUXMLGTQHE-MNOVXSKESA-N 0 3 309.366 1.833 20 10 DDCDHN COc1c([O-])c(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775071582 697960294 /nfs/dbraw/zinc/96/02/94/697960294.db2.gz BLJYOUXMLGTQHE-MNOVXSKESA-N 0 3 309.366 1.833 20 10 DDCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c([O-])c1 ZINC000787424382 699211696 /nfs/dbraw/zinc/21/16/96/699211696.db2.gz RKFFDAGWNBYIPK-SGIREYDYSA-N 0 3 304.390 1.877 20 10 DDCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c([O-])c1 ZINC000787424382 699211698 /nfs/dbraw/zinc/21/16/98/699211698.db2.gz RKFFDAGWNBYIPK-SGIREYDYSA-N 0 3 304.390 1.877 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c1[O-] ZINC000714243521 699269853 /nfs/dbraw/zinc/26/98/53/699269853.db2.gz RDIYVGUBZLIBKK-XYPYZODXSA-N 0 3 319.810 1.719 20 10 DDCDHN CCNS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756706631 700637096 /nfs/dbraw/zinc/63/70/96/700637096.db2.gz BONOPDSJTHOSGG-GXSJLCMTSA-N 0 3 316.398 1.609 20 10 DDCDHN C[N@H+](CCCn1ccnc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464138 701179619 /nfs/dbraw/zinc/17/96/19/701179619.db2.gz ZZDCLQAIBQXJRP-OAHLLOKOSA-N 0 3 303.362 1.537 20 10 DDCDHN C[N@@H+](CCCn1ccnc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464138 701179621 /nfs/dbraw/zinc/17/96/21/701179621.db2.gz ZZDCLQAIBQXJRP-OAHLLOKOSA-N 0 3 303.362 1.537 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]([C@H]3CCOC3)C1)[C@@H](O)CO2 ZINC000768464023 701179945 /nfs/dbraw/zinc/17/99/45/701179945.db2.gz ZAUWZBWPXBODQM-MKBNYLNASA-N 0 3 305.374 1.676 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]([C@H]3CCOC3)C1)[C@@H](O)CO2 ZINC000768464023 701179948 /nfs/dbraw/zinc/17/99/48/701179948.db2.gz ZAUWZBWPXBODQM-MKBNYLNASA-N 0 3 305.374 1.676 20 10 DDCDHN COc1cccc(O)c1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000769326756 701241300 /nfs/dbraw/zinc/24/13/00/701241300.db2.gz HCPBFNNUXVRNCT-GOEBONIOSA-N 0 3 306.406 1.432 20 10 DDCDHN CCN(C)c1ccc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000815103458 701800199 /nfs/dbraw/zinc/80/01/99/701800199.db2.gz QUQJFURTKYFYIV-KRWDZBQOSA-N 0 3 316.405 1.317 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN1CCN(CC(C)(C)O)CC1 ZINC000840915466 702278607 /nfs/dbraw/zinc/27/86/07/702278607.db2.gz IYGXPVNBEJHOHU-UHFFFAOYSA-N 0 3 305.466 1.950 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000814173327 702490712 /nfs/dbraw/zinc/49/07/12/702490712.db2.gz JVVWLAKKKSSKTJ-GXFFZTMASA-N 0 3 307.350 1.445 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000814173327 702490715 /nfs/dbraw/zinc/49/07/15/702490715.db2.gz JVVWLAKKKSSKTJ-GXFFZTMASA-N 0 3 307.350 1.445 20 10 DDCDHN COc1c([O-])c(CN2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000814173327 702490717 /nfs/dbraw/zinc/49/07/17/702490717.db2.gz JVVWLAKKKSSKTJ-GXFFZTMASA-N 0 3 307.350 1.445 20 10 DDCDHN COc1c([O-])c(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000814173327 702490720 /nfs/dbraw/zinc/49/07/20/702490720.db2.gz JVVWLAKKKSSKTJ-GXFFZTMASA-N 0 3 307.350 1.445 20 10 DDCDHN CN(C)c1ccc(/C=C\CN[C@H]2CCC(=O)N(C)C2=O)cc1 ZINC000818233851 702612640 /nfs/dbraw/zinc/61/26/40/702612640.db2.gz PJURUABRWALUEP-XVWMLYKFSA-N 0 3 301.390 1.503 20 10 DDCDHN COC1CCN(CCNC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841959156 702636226 /nfs/dbraw/zinc/63/62/26/702636226.db2.gz VKAICXBTRGLXJQ-UHFFFAOYSA-N 0 3 320.437 1.221 20 10 DDCDHN COC(=O)[C@H]1C[C@H](O)CN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000843435607 702882020 /nfs/dbraw/zinc/88/20/20/702882020.db2.gz WJTUTWZHMMISTL-AAEUAGOBSA-N 0 3 313.781 1.710 20 10 DDCDHN CCCOc1ccc(CNCCNS(C)(=O)=O)cc1C ZINC000873027050 707699975 /nfs/dbraw/zinc/69/99/75/707699975.db2.gz REMXVRAQIBNYIO-UHFFFAOYSA-N 0 3 300.424 1.423 20 10 DDCDHN C[C@@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1ccccc1[O-] ZINC000879647873 706749684 /nfs/dbraw/zinc/74/96/84/706749684.db2.gz OWWVHZLHQOQKMF-MRVPVSSYSA-N 0 3 319.283 1.431 20 10 DDCDHN CCOc1ccc(O)c(CN[C@H]2CC[C@@H](C)S(=O)(=O)C2)c1 ZINC000850368034 703727844 /nfs/dbraw/zinc/72/78/44/703727844.db2.gz HQOCBJJTHIJIGT-YPMHNXCESA-N 0 3 313.419 1.846 20 10 DDCDHN CCS(=O)(=O)C1(CNCc2cc3c(cc2O)OCO3)CC1 ZINC000850398538 703729550 /nfs/dbraw/zinc/72/95/50/703729550.db2.gz WXBLUPURGNOGRO-UHFFFAOYSA-N 0 3 313.375 1.178 20 10 DDCDHN N[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1F ZINC000851655239 703823642 /nfs/dbraw/zinc/82/36/42/703823642.db2.gz QONOQUMVNKDVEL-HZPDHXFCSA-N 0 3 320.412 1.868 20 10 DDCDHN C[C@H](O)[C@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000852560464 704075429 /nfs/dbraw/zinc/07/54/29/704075429.db2.gz WUZWJKJMTCKEDW-XJKSGUPXSA-N 0 3 305.422 1.214 20 10 DDCDHN COC[C@]1(C(=O)NCc2ccc(N(C)C)cc2C)CCCCN1 ZINC000876768767 705867284 /nfs/dbraw/zinc/86/72/84/705867284.db2.gz YRYQIVOOYDBBTC-SFHVURJKSA-N 0 3 319.449 1.836 20 10 DDCDHN COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877481948 706118625 /nfs/dbraw/zinc/11/86/25/706118625.db2.gz YHJUQUWMESCYMJ-CABCVRRESA-N 0 3 309.406 1.546 20 10 DDCDHN COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877481948 706118628 /nfs/dbraw/zinc/11/86/28/706118628.db2.gz YHJUQUWMESCYMJ-CABCVRRESA-N 0 3 309.406 1.546 20 10 DDCDHN COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877481949 706119040 /nfs/dbraw/zinc/11/90/40/706119040.db2.gz YHJUQUWMESCYMJ-GJZGRUSLSA-N 0 3 309.406 1.546 20 10 DDCDHN COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877481949 706119041 /nfs/dbraw/zinc/11/90/41/706119041.db2.gz YHJUQUWMESCYMJ-GJZGRUSLSA-N 0 3 309.406 1.546 20 10 DDCDHN C[C@H](NC(=O)[C@H](N)CC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000884202565 708187204 /nfs/dbraw/zinc/18/72/04/708187204.db2.gz BNJNCPRCHCABHS-SUMWQHHRSA-N 0 3 317.433 1.828 20 10 DDCDHN CC[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccccc1[O-] ZINC000886737153 708829600 /nfs/dbraw/zinc/82/96/00/708829600.db2.gz ULEXYIVDBTYLIU-ZDUSSCGKSA-N 0 3 312.435 1.857 20 10 DDCDHN CCN(C)c1ccc(CNC2(C(=O)NC)CCOCC2)cc1 ZINC000887089642 708952515 /nfs/dbraw/zinc/95/25/15/708952515.db2.gz MALUWCBLWRWYRB-UHFFFAOYSA-N 0 3 305.422 1.528 20 10 DDCDHN CC[C@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102849 708984392 /nfs/dbraw/zinc/98/43/92/708984392.db2.gz SQZDOECXPBOYEG-GDBMZVCRSA-N 0 3 322.453 1.425 20 10 DDCDHN CO[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000891248756 710141336 /nfs/dbraw/zinc/14/13/36/710141336.db2.gz NSGZDCWMLSWUET-SJORKVTESA-N 0 3 319.449 1.897 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccn(C)n2)N(C)C)cc1 ZINC000891254246 710143217 /nfs/dbraw/zinc/14/32/17/710143217.db2.gz XVOGANAZQFAFOF-MRXNPFEDSA-N 0 3 315.421 1.519 20 10 DDCDHN COC(=O)c1c(CN[C@@H]2CCOC2)c2cc(F)ccc2n1C ZINC000894353587 711083021 /nfs/dbraw/zinc/08/30/21/711083021.db2.gz CJXQJWICEDVKOG-LLVKDONJSA-N 0 3 306.337 1.983 20 10 DDCDHN O=c1cc(N2CC[C@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2)nc[n-]1 ZINC000903399247 711114507 /nfs/dbraw/zinc/11/45/07/711114507.db2.gz MNANBLPPCLIXEZ-QWHCGFSZSA-N 0 3 312.373 1.744 20 10 DDCDHN Nc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000904501667 711864934 /nfs/dbraw/zinc/86/49/34/711864934.db2.gz VTNVQGDJSJKUMG-HUUCEWRRSA-N 0 3 304.394 1.332 20 10 DDCDHN C[C@@H]([NH2+]C[C@H]1CN=C(c2cnn(C)c2)O1)c1ccccc1[O-] ZINC000931554472 714126682 /nfs/dbraw/zinc/12/66/82/714126682.db2.gz QEFPNGRFJBFAAE-YPMHNXCESA-N 0 3 300.362 1.622 20 10 DDCDHN CCN(CC)c1ccc(CNC[C@@H](O)CS(C)(=O)=O)cc1 ZINC000922828494 714161028 /nfs/dbraw/zinc/16/10/28/714161028.db2.gz RWGVSEBQXMUYLH-OAHLLOKOSA-N 0 3 314.451 1.028 20 10 DDCDHN O=C(NCc1c(O)cccc1F)Nc1cnc2c(c1)CNCC2 ZINC000926160856 715018308 /nfs/dbraw/zinc/01/83/08/715018308.db2.gz LKNGBGUZPPPJPG-UHFFFAOYSA-N 0 3 316.336 1.894 20 10 DDCDHN COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c([O-])c1 ZINC001184035939 743958496 /nfs/dbraw/zinc/95/84/96/743958496.db2.gz SCNRLASNHQELQB-SJCJKPOMSA-N 0 3 304.390 1.797 20 10 DDCDHN COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c([O-])c1 ZINC001184035939 743958499 /nfs/dbraw/zinc/95/84/99/743958499.db2.gz SCNRLASNHQELQB-SJCJKPOMSA-N 0 3 304.390 1.797 20 10 DDCDHN COC(=O)[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2[O-])C[C@@H]1C(=O)OC ZINC001173584537 777270908 /nfs/dbraw/zinc/27/09/08/777270908.db2.gz KUFUMINCIFCXGR-ZSOGYDGISA-N 0 3 321.373 1.565 20 10 DDCDHN COC(=O)[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2[O-])C[C@@H]1C(=O)OC ZINC001173584537 777270912 /nfs/dbraw/zinc/27/09/12/777270912.db2.gz KUFUMINCIFCXGR-ZSOGYDGISA-N 0 3 321.373 1.565 20 10 DDCDHN CCc1ccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(C)C3)C2)c([O-])c1 ZINC001274654964 852488481 /nfs/dbraw/zinc/48/84/81/852488481.db2.gz IHPAUHKQQDIRQL-SFHVURJKSA-N 0 3 318.417 1.635 20 10 DDCDHN CCc1ccc(C[N@H+]2CCOC[C@]3(CC(=O)N(C)C3)C2)c([O-])c1 ZINC001274654964 852488487 /nfs/dbraw/zinc/48/84/87/852488487.db2.gz IHPAUHKQQDIRQL-SFHVURJKSA-N 0 3 318.417 1.635 20 10 DDCDHN CC(C)NC(=O)N1CCO[C@H]2CN(Cc3ccccc3O)C[C@H]21 ZINC001275267494 852941000 /nfs/dbraw/zinc/94/10/00/852941000.db2.gz PTZFSAZYUKEYSS-ZBFHGGJFSA-N 0 3 319.405 1.395 20 10 DDCDHN C[N@H+]1CC[C@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3[O-])C[C@H]2CC1 ZINC001276055166 854681582 /nfs/dbraw/zinc/68/15/82/854681582.db2.gz DJAINIJAURIHQM-OKILXGFUSA-N 0 3 304.390 1.864 20 10 DDCDHN C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3[O-])C[C@H]2CC1 ZINC001276055166 854681584 /nfs/dbraw/zinc/68/15/84/854681584.db2.gz DJAINIJAURIHQM-OKILXGFUSA-N 0 3 304.390 1.864 20 10 DDCDHN C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3[O-])C[C@H]2CC1 ZINC001276055166 854681587 /nfs/dbraw/zinc/68/15/87/854681587.db2.gz DJAINIJAURIHQM-OKILXGFUSA-N 0 3 304.390 1.864 20 10 DDCDHN C[NH+]1CC[C@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])C[C@H]2CC1 ZINC001276055166 854681590 /nfs/dbraw/zinc/68/15/90/854681590.db2.gz DJAINIJAURIHQM-OKILXGFUSA-N 0 3 304.390 1.864 20 10 DDCDHN CN1CCCc2cc(CN3CC[C@H](O)[C@](C)(CO)C3)ccc21 ZINC001138354403 860072414 /nfs/dbraw/zinc/07/24/14/860072414.db2.gz IGIVDSZSWOAVER-ROUUACIJSA-N 0 3 304.434 1.634 20 10 DDCDHN CN1CCN(c2ccc(CN3CCN(CCF)CC3)cc2)CC1 ZINC001139412360 860392997 /nfs/dbraw/zinc/39/29/97/860392997.db2.gz IQRCZBPNPREUKB-UHFFFAOYSA-N 0 3 320.456 1.526 20 10 DDCDHN CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001320461558 866756204 /nfs/dbraw/zinc/75/62/04/866756204.db2.gz QFSQSDHMBCDLIR-DOMZBBRYSA-N 0 3 321.373 1.736 20 10 DDCDHN CCOC(=O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001320461558 866756226 /nfs/dbraw/zinc/75/62/26/866756226.db2.gz QFSQSDHMBCDLIR-DOMZBBRYSA-N 0 3 321.373 1.736 20 10 DDCDHN CN1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001324166763 867117530 /nfs/dbraw/zinc/11/75/30/867117530.db2.gz IGJULMOKWDJMGF-UHFFFAOYSA-N 0 3 306.429 1.325 20 10 DDCDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)N(Cc2ccccc2O)C1 ZINC001203561293 870641433 /nfs/dbraw/zinc/64/14/33/870641433.db2.gz PPLSSQLPESBHHF-UONOGXRCSA-N 0 3 322.405 1.852 20 10 DDCDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@H+](Cc2ccccc2[O-])C1 ZINC001203561293 870641437 /nfs/dbraw/zinc/64/14/37/870641437.db2.gz PPLSSQLPESBHHF-UONOGXRCSA-N 0 3 322.405 1.852 20 10 DDCDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@@H+](Cc2ccccc2[O-])C1 ZINC001203561293 870641446 /nfs/dbraw/zinc/64/14/46/870641446.db2.gz PPLSSQLPESBHHF-UONOGXRCSA-N 0 3 322.405 1.852 20 10 DDCDHN COc1ccc(N2CCN(C)C[C@]3(CCCC(=O)N3)C2)cc1 ZINC001276924352 881114521 /nfs/dbraw/zinc/11/45/21/881114521.db2.gz IMZDRQYOIOCOEB-QGZVFWFLSA-N 0 3 303.406 1.486 20 10 DDCDHN COc1cc(CN2CCC(N3CCOC3=O)CC2)c(O)cc1O ZINC001231636934 885773271 /nfs/dbraw/zinc/77/32/71/885773271.db2.gz BKBFUCOWOFPFRY-UHFFFAOYSA-N 0 3 322.361 1.523 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](O)[C@@H](CO)C3)c2c1 ZINC001234526086 888058552 /nfs/dbraw/zinc/05/85/52/888058552.db2.gz QGJUSFMTBLBIRO-DYVFJYSZSA-N 0 3 317.385 1.729 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](O)[C@@H](CO)C3)c2c1 ZINC001234526086 888058560 /nfs/dbraw/zinc/05/85/60/888058560.db2.gz QGJUSFMTBLBIRO-DYVFJYSZSA-N 0 3 317.385 1.729 20 10 DDCDHN CCN1CCN(c2ccc(OC3CS(=O)(=O)C3)cc2)CC1 ZINC001234659984 888173108 /nfs/dbraw/zinc/17/31/08/888173108.db2.gz AWYILOPCVCNRJF-UHFFFAOYSA-N 0 3 310.419 1.004 20 10 DDCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001237053774 889483981 /nfs/dbraw/zinc/48/39/81/889483981.db2.gz QHDGFKORWRVTSP-GXFFZTMASA-N 0 3 321.295 1.118 20 10 DDCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001237053774 889483994 /nfs/dbraw/zinc/48/39/94/889483994.db2.gz QHDGFKORWRVTSP-GXFFZTMASA-N 0 3 321.295 1.118 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+](C)CCc2noc(C)n2)c([O-])c1 ZINC001249177491 893855674 /nfs/dbraw/zinc/85/56/74/893855674.db2.gz ARNQENPRWRPTDB-UHFFFAOYSA-N 0 3 319.361 1.474 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+](C)CCc2noc(C)n2)c([O-])c1 ZINC001249177491 893855689 /nfs/dbraw/zinc/85/56/89/893855689.db2.gz ARNQENPRWRPTDB-UHFFFAOYSA-N 0 3 319.361 1.474 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c([O-])c1 ZINC001249207776 893867421 /nfs/dbraw/zinc/86/74/21/893867421.db2.gz IRKIRJHDFWTSFZ-ZBFHGGJFSA-N 0 3 305.374 1.719 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c([O-])c1 ZINC001249207776 893867428 /nfs/dbraw/zinc/86/74/28/893867428.db2.gz IRKIRJHDFWTSFZ-ZBFHGGJFSA-N 0 3 305.374 1.719 20 10 DDCDHN COC(=O)Cc1ccc(C[NH+]2CCC3(CCO3)CC2)c([O-])c1 ZINC001249207356 893867711 /nfs/dbraw/zinc/86/77/11/893867711.db2.gz CYQYBRSWFQSDQL-UHFFFAOYSA-N 0 3 305.374 1.863 20 10 DDCDHN CCC1(O)CC[NH+](Cc2ccc(CC(=O)OC)cc2[O-])CC1 ZINC001249207676 893868994 /nfs/dbraw/zinc/86/89/94/893868994.db2.gz GNTMJLGXWFTXQA-UHFFFAOYSA-N 0 3 307.390 1.845 20 10 DDCDHN COc1ccc(CN[C@@H](CO)CNC(=O)C2(C)CCC2)cc1C ZINC001283791321 907966245 /nfs/dbraw/zinc/96/62/45/907966245.db2.gz FGTMMKSMWXFAOL-OAHLLOKOSA-N 0 3 320.433 1.761 20 10 DDCDHN CN(C)c1ccc(CN2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000092188230 353845456 /nfs/dbraw/zinc/84/54/56/353845456.db2.gz OFZSFUKLKPABIP-INIZCTEOSA-N 0 3 302.422 1.742 20 10 DDCDHN COc1cccc(CN2CC[C@H](NC(=O)NC3CC3)C2)c1O ZINC000273809446 130170215 /nfs/dbraw/zinc/17/02/15/130170215.db2.gz YPSDLLTZDYASGC-ZDUSSCGKSA-N 0 3 305.378 1.437 20 10 DDCDHN COC(=O)c1cn(CC[NH2+][C@H](C)c2cc(OC)ccc2[O-])nn1 ZINC000284181268 131056988 /nfs/dbraw/zinc/05/69/88/131056988.db2.gz ANOCLIJNYCMTIZ-SNVBAGLBSA-N 0 3 320.349 1.130 20 10 DDCDHN COc1cc(O)c(CN2CCN(C[C@@H](C)O)C[C@H]2C)cc1OC ZINC000284462604 131082198 /nfs/dbraw/zinc/08/21/98/131082198.db2.gz VEGSUHJCIMNFJM-CHWSQXEVSA-N 0 3 324.421 1.296 20 10 DDCDHN C[C@@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000284735873 131107709 /nfs/dbraw/zinc/10/77/09/131107709.db2.gz ZOAVQHPOBOVYGH-GRYCIOLGSA-N 0 3 309.385 1.403 20 10 DDCDHN COc1ccc(O)c(CNCC2(S(C)(=O)=O)CCCC2)c1 ZINC000289266590 131370528 /nfs/dbraw/zinc/37/05/28/131370528.db2.gz GABRUPWQSJJRMF-UHFFFAOYSA-N 0 3 313.419 1.848 20 10 DDCDHN COc1ccc([O-])c(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c1 ZINC000289266590 131370530 /nfs/dbraw/zinc/37/05/30/131370530.db2.gz GABRUPWQSJJRMF-UHFFFAOYSA-N 0 3 313.419 1.848 20 10 DDCDHN CCCCN(C)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000071948276 406869625 /nfs/dbraw/zinc/86/96/25/406869625.db2.gz ODLVAIPJCPTUQZ-UHFFFAOYSA-N 0 3 306.366 1.844 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)cc1OC ZINC000271125519 407528930 /nfs/dbraw/zinc/52/89/30/407528930.db2.gz ZRBFEFSJTAJDKV-LBPRGKRZSA-N 0 3 323.389 1.994 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](C3OCCO3)C2)cc1OC ZINC000271125519 407528932 /nfs/dbraw/zinc/52/89/32/407528932.db2.gz ZRBFEFSJTAJDKV-LBPRGKRZSA-N 0 3 323.389 1.994 20 10 DDCDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000271352526 407648782 /nfs/dbraw/zinc/64/87/82/407648782.db2.gz LQWVAOBRVBTDPT-UKRRQHHQSA-N 0 3 306.406 1.755 20 10 DDCDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000271352526 407648786 /nfs/dbraw/zinc/64/87/86/407648786.db2.gz LQWVAOBRVBTDPT-UKRRQHHQSA-N 0 3 306.406 1.755 20 10 DDCDHN O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(O)c1[O-] ZINC000187110056 407820761 /nfs/dbraw/zinc/82/07/61/407820761.db2.gz QAEQRTHJECSQMT-LBPRGKRZSA-N 0 3 320.389 1.329 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CC2(O)CCOCC2)c1[O-] ZINC000184707551 408672286 /nfs/dbraw/zinc/67/22/86/408672286.db2.gz NEDVAVUSABEAFO-UHFFFAOYSA-N 0 3 301.770 1.685 20 10 DDCDHN COc1cc(O)c(CN2CCC3(CC2)OCCO3)cc1OC ZINC000270788124 408682366 /nfs/dbraw/zinc/68/23/66/408682366.db2.gz DKCAQPHPGHOSNO-UHFFFAOYSA-N 0 3 309.362 1.748 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)c1 ZINC000185364330 408800962 /nfs/dbraw/zinc/80/09/62/408800962.db2.gz KWOKKNSHVGXKJV-KGLIPLIRSA-N 0 3 307.438 1.687 20 10 DDCDHN CC[C@@H]([NH2+]CCN1CCN(C(C)=O)CC1)c1ccc(C)cc1[O-] ZINC000280069669 409254901 /nfs/dbraw/zinc/25/49/01/409254901.db2.gz KXPMPFWMTZJHMC-QGZVFWFLSA-N 0 3 319.449 1.905 20 10 DDCDHN CN1C(=O)NC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)C1=O ZINC000289523875 409280700 /nfs/dbraw/zinc/28/07/00/409280700.db2.gz VQEBBQWCQKJJEN-UHFFFAOYSA-N 0 3 307.325 1.048 20 10 DDCDHN NC1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000294910051 409306217 /nfs/dbraw/zinc/30/62/17/409306217.db2.gz ANPUARYCUHNKIG-UHFFFAOYSA-N 0 3 307.369 1.160 20 10 DDCDHN COc1ccc(O)c(CN[C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000290262376 409340424 /nfs/dbraw/zinc/34/04/24/409340424.db2.gz WUYVDCZRGTXGEY-PBHICJAKSA-N 0 3 301.342 1.985 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000290262376 409340426 /nfs/dbraw/zinc/34/04/26/409340426.db2.gz WUYVDCZRGTXGEY-PBHICJAKSA-N 0 3 301.342 1.985 20 10 DDCDHN C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296563697 409621163 /nfs/dbraw/zinc/62/11/63/409621163.db2.gz UNKMCIXIFGUVAX-GOEBONIOSA-N 0 3 303.450 1.995 20 10 DDCDHN COc1cc(O)c(CN2CC[C@@H](n3cncn3)C2)cc1OC ZINC000375319632 418628370 /nfs/dbraw/zinc/62/83/70/418628370.db2.gz OQRNCMDZPIJGRH-GFCCVEGCSA-N 0 3 304.350 1.448 20 10 DDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000371093545 418762121 /nfs/dbraw/zinc/76/21/21/418762121.db2.gz LDNHKNLFYAZSRT-GUYCJALGSA-N 0 3 317.389 1.511 20 10 DDCDHN O=C1CCCC(=O)N1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000372380594 418862931 /nfs/dbraw/zinc/86/29/31/418862931.db2.gz OGFQVSJBHZRTRL-UHFFFAOYSA-N 0 3 302.374 1.896 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c1 ZINC000185317575 277918064 /nfs/dbraw/zinc/91/80/64/277918064.db2.gz IRVJSGALXYQYQG-ZYHUDNBSSA-N 0 3 302.378 1.966 20 10 DDCDHN C[C@H](CC(N)=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000267248387 524086319 /nfs/dbraw/zinc/08/63/19/524086319.db2.gz NTHSXQNMDNZXAL-JHJVBQTASA-N 0 3 323.412 1.793 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](C3OCCO3)C1)OCO2 ZINC000265761499 526334628 /nfs/dbraw/zinc/33/46/28/526334628.db2.gz ZBZUXRFPNCOMBY-NSHDSACASA-N 0 3 307.346 1.706 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](C3OCCO3)C1)OCO2 ZINC000265761499 526334632 /nfs/dbraw/zinc/33/46/32/526334632.db2.gz ZBZUXRFPNCOMBY-NSHDSACASA-N 0 3 307.346 1.706 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000182360370 697473701 /nfs/dbraw/zinc/47/37/01/697473701.db2.gz VHNGLLMHGNTTQB-AVGNSLFASA-N 0 3 322.405 1.687 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C(=O)N1c1cnn(C)c1 ZINC000779087592 698394574 /nfs/dbraw/zinc/39/45/74/698394574.db2.gz OSIRDTBLMRVQTC-YGRLFVJLSA-N 0 3 318.352 1.548 20 10 DDCDHN CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CN2CCC1CC2 ZINC000779515814 698429346 /nfs/dbraw/zinc/42/93/46/698429346.db2.gz CEBPNIVVVVKHCG-PKXJPQMGSA-N 0 3 302.374 1.664 20 10 DDCDHN COc1cc(O)c(CN2CCC3(CNC(=O)O3)CC2)cc1OC ZINC000783722410 698871051 /nfs/dbraw/zinc/87/10/51/698871051.db2.gz CEWQPPHKSIOICQ-UHFFFAOYSA-N 0 3 322.361 1.484 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCCOC3)[C@@H](O)CO2 ZINC000789543855 699394250 /nfs/dbraw/zinc/39/42/50/699394250.db2.gz CNNKMLHPOXRODV-RDJZCZTQSA-N 0 3 305.374 1.821 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCCOC3)[C@@H](O)CO2 ZINC000789543855 699394253 /nfs/dbraw/zinc/39/42/53/699394253.db2.gz CNNKMLHPOXRODV-RDJZCZTQSA-N 0 3 305.374 1.821 20 10 DDCDHN CC(C)N(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@@H](C)O ZINC000730422795 699510470 /nfs/dbraw/zinc/51/04/70/699510470.db2.gz DFRGALCGNVCVAK-OAHLLOKOSA-N 0 3 321.465 1.802 20 10 DDCDHN C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790827635 699599551 /nfs/dbraw/zinc/59/95/51/699599551.db2.gz VQHHWVFEJOCNSO-CYBMUJFWSA-N 0 3 304.390 1.902 20 10 DDCDHN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790827635 699599556 /nfs/dbraw/zinc/59/95/56/699599556.db2.gz VQHHWVFEJOCNSO-CYBMUJFWSA-N 0 3 304.390 1.902 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c([O-])c1 ZINC000742391114 699876608 /nfs/dbraw/zinc/87/66/08/699876608.db2.gz DOOKYBNGJUBGQM-KYOSRNDESA-N 0 3 304.390 1.890 20 10 DDCDHN C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1[O-] ZINC000756547789 700627052 /nfs/dbraw/zinc/62/70/52/700627052.db2.gz HKPLXWXFRVPZRS-STQMWFEESA-N 0 3 323.412 1.769 20 10 DDCDHN C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1[O-] ZINC000756547788 700627211 /nfs/dbraw/zinc/62/72/11/700627211.db2.gz HKPLXWXFRVPZRS-QWHCGFSZSA-N 0 3 323.412 1.769 20 10 DDCDHN COc1cc(O)c(CNC(C)(C)CS(C)(=O)=O)cc1OC ZINC000762787304 700906935 /nfs/dbraw/zinc/90/69/35/700906935.db2.gz QGQVOVUEBSEKSP-UHFFFAOYSA-N 0 3 317.407 1.322 20 10 DDCDHN Cc1nccn1CCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464001 701179674 /nfs/dbraw/zinc/17/96/74/701179674.db2.gz YSKMZRAUUIREGH-MRXNPFEDSA-N 0 3 317.389 1.845 20 10 DDCDHN Cc1nccn1CCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464001 701179676 /nfs/dbraw/zinc/17/96/76/701179676.db2.gz YSKMZRAUUIREGH-MRXNPFEDSA-N 0 3 317.389 1.845 20 10 DDCDHN COc1cccc(O)c1CN1CCC[C@H](N2CCNC2=O)C1 ZINC000768927175 701216948 /nfs/dbraw/zinc/21/69/48/701216948.db2.gz QUVJLORYCKJSDZ-LBPRGKRZSA-N 0 3 305.378 1.390 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000768927175 701216951 /nfs/dbraw/zinc/21/69/51/701216951.db2.gz QUVJLORYCKJSDZ-LBPRGKRZSA-N 0 3 305.378 1.390 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000768927175 701216954 /nfs/dbraw/zinc/21/69/54/701216954.db2.gz QUVJLORYCKJSDZ-LBPRGKRZSA-N 0 3 305.378 1.390 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@H]2C(C)(C)O)cc1 ZINC000839524191 701724250 /nfs/dbraw/zinc/72/42/50/701724250.db2.gz DAFCPMHIYVNMLM-INIZCTEOSA-N 0 3 319.449 1.604 20 10 DDCDHN COCCNC(=O)C1([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000840822755 702250366 /nfs/dbraw/zinc/25/03/66/702250366.db2.gz QIGGWTFDNYAJTA-ZYHUDNBSSA-N 0 3 322.380 1.964 20 10 DDCDHN COCCNC(=O)C1(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000840822755 702250370 /nfs/dbraw/zinc/25/03/70/702250370.db2.gz QIGGWTFDNYAJTA-ZYHUDNBSSA-N 0 3 322.380 1.964 20 10 DDCDHN CCNS(=O)(=O)[C@@H]1CCN(Cc2cccc(CC)c2O)C1 ZINC000848901604 703600697 /nfs/dbraw/zinc/60/06/97/703600697.db2.gz XLGGYMSQINEEEL-CQSZACIVSA-N 0 3 312.435 1.468 20 10 DDCDHN COc1ccc(N2CCN(C[C@H]3CNC(=O)C3)CC2)cc1F ZINC000851807319 703861253 /nfs/dbraw/zinc/86/12/53/703861253.db2.gz FSEFJXFDTKDVLD-GFCCVEGCSA-N 0 3 307.369 1.092 20 10 DDCDHN O=C1C[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CN1 ZINC000851840928 703868240 /nfs/dbraw/zinc/86/82/40/703868240.db2.gz MBAWEAASQMQSDG-ZFWWWQNUSA-N 0 3 304.390 1.509 20 10 DDCDHN O=C1C[C@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CN1 ZINC000851840928 703868242 /nfs/dbraw/zinc/86/82/42/703868242.db2.gz MBAWEAASQMQSDG-ZFWWWQNUSA-N 0 3 304.390 1.509 20 10 DDCDHN C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000854642060 704431943 /nfs/dbraw/zinc/43/19/43/704431943.db2.gz IKMNAUZBZWFDSE-CHWSQXEVSA-N 0 3 306.362 1.033 20 10 DDCDHN C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000854642060 704431945 /nfs/dbraw/zinc/43/19/45/704431945.db2.gz IKMNAUZBZWFDSE-CHWSQXEVSA-N 0 3 306.362 1.033 20 10 DDCDHN CC[C@@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)N(C)C ZINC000855234198 704474392 /nfs/dbraw/zinc/47/43/92/704474392.db2.gz VDQBAUZJIDVLRA-BBRMVZONSA-N 0 3 305.422 1.730 20 10 DDCDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1Cc2cccc(O)c2C1 ZINC000875236224 705324436 /nfs/dbraw/zinc/32/44/36/705324436.db2.gz BMQSOZFSYZRJJJ-ZIAGYGMSSA-N 0 3 317.389 1.281 20 10 DDCDHN COc1cc(O)c(CN2C[C@@H](C)N(CCO)[C@@H](C)C2)cc1OC ZINC000824926852 705559872 /nfs/dbraw/zinc/55/98/72/705559872.db2.gz VHOOIGWDFVCDRC-BETUJISGSA-N 0 3 324.421 1.296 20 10 DDCDHN CNC(=O)[C@]1(C)CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862352575 705699497 /nfs/dbraw/zinc/69/94/97/705699497.db2.gz DWRFYJVVBZBNIQ-MRXNPFEDSA-N 0 3 311.376 1.989 20 10 DDCDHN CCN1CCN(CCCCNC(=O)C2=CC(=O)CS2)CC1 ZINC000827516065 706017805 /nfs/dbraw/zinc/01/78/05/706017805.db2.gz VAPOXNIOTOEQJF-UHFFFAOYSA-N 0 3 311.451 1.601 20 10 DDCDHN NC(C(=O)NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000827567193 706027310 /nfs/dbraw/zinc/02/73/10/706027310.db2.gz CBVOVTJPTLUIGR-LBPRGKRZSA-N 0 3 317.311 1.029 20 10 DDCDHN Cc1cccc(O)c1CN1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000877513631 706129292 /nfs/dbraw/zinc/12/92/92/706129292.db2.gz AFACRCGGQFOJGK-CYBMUJFWSA-N 0 3 312.435 1.556 20 10 DDCDHN CC[C@@](C)(N)c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1 ZINC000880995529 707104799 /nfs/dbraw/zinc/10/47/99/707104799.db2.gz ABCCPVZOEYBWQE-OAHLLOKOSA-N 0 3 306.341 1.958 20 10 DDCDHN COCCNC(=O)C1(NCc2cc(Cl)cc(C)c2O)CC1 ZINC000839193823 708034910 /nfs/dbraw/zinc/03/49/10/708034910.db2.gz WCLFMADLNXLTNB-UHFFFAOYSA-N 0 3 312.797 1.739 20 10 DDCDHN COCC[C@@H](N)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000884305048 708235271 /nfs/dbraw/zinc/23/52/71/708235271.db2.gz KJYYXVRYMABUCF-LSDHHAIUSA-N 0 3 322.405 1.264 20 10 DDCDHN C[C@]1(NCc2ccc(N3CCC(O)CC3)cc2)CCNC1=O ZINC000897870087 708476107 /nfs/dbraw/zinc/47/61/07/708476107.db2.gz XHOPJTYAVGYFDG-KRWDZBQOSA-N 0 3 303.406 1.016 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@](C)(O)C2CC2)N(C)C)cc1 ZINC000891249255 710141185 /nfs/dbraw/zinc/14/11/85/710141185.db2.gz PWWCIKCGRQFTDA-FUHWJXTLSA-N 0 3 319.449 1.633 20 10 DDCDHN COc1ccc(CN2CCN(C[C@H](C)O)C[C@H]2C)c(O)c1OC ZINC000894159126 710991836 /nfs/dbraw/zinc/99/18/36/710991836.db2.gz SDIXNNHHRYTQSK-OLZOCXBDSA-N 0 3 324.421 1.296 20 10 DDCDHN COc1ccc(C[N@@H+](C)C2CCN(OC)CC2)c([O-])c1OC ZINC000894813237 711281636 /nfs/dbraw/zinc/28/16/36/711281636.db2.gz PDPLKQIOANZQTI-UHFFFAOYSA-N 0 3 310.394 1.867 20 10 DDCDHN COc1ccc(C[N@H+](C)C2CCN(OC)CC2)c([O-])c1OC ZINC000894813237 711281638 /nfs/dbraw/zinc/28/16/38/711281638.db2.gz PDPLKQIOANZQTI-UHFFFAOYSA-N 0 3 310.394 1.867 20 10 DDCDHN CO[C@@]1(CNCc2ccc(N(C)C)cc2)CCS(=O)(=O)C1 ZINC000922613912 714100550 /nfs/dbraw/zinc/10/05/50/714100550.db2.gz CZISNFWSNMLTOG-OAHLLOKOSA-N 0 3 312.435 1.046 20 10 DDCDHN Oc1cc(O)c(CCNc2ccc3c(n2)OCCNC3)cc1O ZINC001168006655 740543181 /nfs/dbraw/zinc/54/31/81/740543181.db2.gz RRQXGZQJLPVVLP-UHFFFAOYSA-N 0 3 317.345 1.335 20 10 DDCDHN O=S(=O)(C[C@@]12CCN(C1)CCC2)N1Cc2cccc(O)c2C1 ZINC000918879945 746975333 /nfs/dbraw/zinc/97/53/33/746975333.db2.gz AZYQCFQCKCXMSD-INIZCTEOSA-N 0 3 322.430 1.524 20 10 DDCDHN CCN1C[C@H](NC(=O)c2cc(OC)nc(OC)c2)CC[C@@H]1C ZINC001071644945 769782399 /nfs/dbraw/zinc/78/23/99/769782399.db2.gz DTGDMDNVWRXYBG-WCQYABFASA-N 0 3 307.394 1.701 20 10 DDCDHN Cc1[nH]c(=O)[nH]c(=O)c1CN1CCCc2cc(O)c(O)cc2C1 ZINC001138469606 860113597 /nfs/dbraw/zinc/11/35/97/860113597.db2.gz NSQAONCGDDZVAJ-UHFFFAOYSA-N 0 3 317.345 1.556 20 10 DDCDHN CN1CCN(c2ccc(CN3CCCN(C)C(=O)C3)cc2)CC1 ZINC001139409791 860390208 /nfs/dbraw/zinc/39/02/08/860390208.db2.gz SKZASRSZJLTUAZ-UHFFFAOYSA-N 0 3 316.449 1.103 20 10 DDCDHN CCN1CCN(c2ccc(CN3C[C@@H]4C[C@H]3CO4)cc2)CC1 ZINC001140304030 860614885 /nfs/dbraw/zinc/61/48/85/860614885.db2.gz FDQXRHSTGZIZOK-ROUUACIJSA-N 0 3 301.434 1.802 20 10 DDCDHN COC(=O)[C@H](O)C1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC001320522705 866797656 /nfs/dbraw/zinc/79/76/56/866797656.db2.gz RUFUVVHADBOOAA-OAHLLOKOSA-N 0 3 309.362 1.147 20 10 DDCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@H]1COCCO1 ZINC001335457857 868310730 /nfs/dbraw/zinc/31/07/30/868310730.db2.gz YIJVCAISBPYZPA-CVEARBPZSA-N 0 3 307.390 1.789 20 10 DDCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@H]1COCCO1 ZINC001335457857 868310740 /nfs/dbraw/zinc/31/07/40/868310740.db2.gz YIJVCAISBPYZPA-CVEARBPZSA-N 0 3 307.390 1.789 20 10 DDCDHN CN(C)c1ccc([C@@H](CN2C(=O)NC3(CC3)C2=O)N(C)C)cc1 ZINC001336934863 869223324 /nfs/dbraw/zinc/22/33/24/869223324.db2.gz MBDOLUJHJKMGEI-CQSZACIVSA-N 0 3 316.405 1.440 20 10 DDCDHN [O-]c1ccccc1C[N@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001203553016 870636223 /nfs/dbraw/zinc/63/62/23/870636223.db2.gz YNPBEXZGJFNQKK-UHFFFAOYSA-N 0 3 323.400 1.892 20 10 DDCDHN [O-]c1ccccc1C[N@@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001203553016 870636235 /nfs/dbraw/zinc/63/62/35/870636235.db2.gz YNPBEXZGJFNQKK-UHFFFAOYSA-N 0 3 323.400 1.892 20 10 DDCDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)c([O-])c1 ZINC001203635182 870689109 /nfs/dbraw/zinc/68/91/09/870689109.db2.gz NNFAOUJCMZYTRZ-CQSZACIVSA-N 0 3 301.346 1.844 20 10 DDCDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3cnccn3)C2)c([O-])c1 ZINC001203635182 870689114 /nfs/dbraw/zinc/68/91/14/870689114.db2.gz NNFAOUJCMZYTRZ-CQSZACIVSA-N 0 3 301.346 1.844 20 10 DDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC001341836021 871848692 /nfs/dbraw/zinc/84/86/92/871848692.db2.gz DXISMUYVUBEYSW-LBPRGKRZSA-N 0 3 302.378 1.503 20 10 DDCDHN [NH3+][C@@H]1CN(Cc2c([O-])cccc2Br)CC[C@H]1O ZINC001206092733 872051171 /nfs/dbraw/zinc/05/11/71/872051171.db2.gz VTMBWPYJRHTFBU-ZYHUDNBSSA-N 0 3 301.184 1.049 20 10 DDCDHN CCc1ccc(CN2CC3(CN(CC(=O)N(C)C)C3)C2)c(O)c1 ZINC001276805402 878272302 /nfs/dbraw/zinc/27/23/02/878272302.db2.gz WDKOPTGHRGEBDW-UHFFFAOYSA-N 0 3 317.433 1.160 20 10 DDCDHN COc1cc(CN2CCC(NC(=O)C(C)C)CC2)c(O)cc1O ZINC001231634868 885771863 /nfs/dbraw/zinc/77/18/63/885771863.db2.gz ASDCFFFQXLCIRE-UHFFFAOYSA-N 0 3 322.405 1.843 20 10 DDCDHN COC(=O)C[C@H]1CCCN(Cc2cc(OC)c(O)cc2O)C1 ZINC001231637357 885775969 /nfs/dbraw/zinc/77/59/69/885775969.db2.gz KCBMJCZRMSDSDX-LLVKDONJSA-N 0 3 309.362 1.882 20 10 DDCDHN COc1cc(CN2CCC3(CCOC3=O)CC2)c(O)cc1O ZINC001231639602 885777615 /nfs/dbraw/zinc/77/76/15/885777615.db2.gz WJIMJOZYDGWQBI-UHFFFAOYSA-N 0 3 307.346 1.636 20 10 DDCDHN CCN1CCN(c2ccc(OC[C@@H]3CN(C)CCO3)cc2)CC1 ZINC001234660462 888172481 /nfs/dbraw/zinc/17/24/81/888172481.db2.gz INOGDIXJPQRBPZ-SFHVURJKSA-N 0 3 319.449 1.538 20 10 DDCDHN COc1cc(C)c(C[NH+]2CCC3(CC2)CNC(=O)CO3)c([O-])c1 ZINC001236822214 889371246 /nfs/dbraw/zinc/37/12/46/889371246.db2.gz YQLFZUVJTYSRCX-UHFFFAOYSA-N 0 3 320.389 1.190 20 10 DDCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COC)C2)c([O-])c1 ZINC001237039710 889474719 /nfs/dbraw/zinc/47/47/19/889474719.db2.gz AMIMAIAFFZUABS-RHSMWYFYSA-N 0 3 307.390 1.886 20 10 DDCDHN CCOc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COC)C2)c([O-])c1 ZINC001237039710 889474727 /nfs/dbraw/zinc/47/47/27/889474727.db2.gz AMIMAIAFFZUABS-RHSMWYFYSA-N 0 3 307.390 1.886 20 10 DDCDHN CNC(=O)CC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237055351 889485031 /nfs/dbraw/zinc/48/50/31/889485031.db2.gz FCNPKWCNVJTZPU-UHFFFAOYSA-N 0 3 320.311 1.901 20 10 DDCDHN CNC(=O)CC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237055351 889485035 /nfs/dbraw/zinc/48/50/35/889485035.db2.gz FCNPKWCNVJTZPU-UHFFFAOYSA-N 0 3 320.311 1.901 20 10 DDCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001237640847 889777663 /nfs/dbraw/zinc/77/76/63/889777663.db2.gz GNONZVFIXLARKD-QAPCUYQASA-N 0 3 317.360 1.983 20 10 DDCDHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001237640847 889777666 /nfs/dbraw/zinc/77/76/66/889777666.db2.gz GNONZVFIXLARKD-QAPCUYQASA-N 0 3 317.360 1.983 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)c([O-])c1 ZINC001249173695 893853000 /nfs/dbraw/zinc/85/30/00/893853000.db2.gz VHDMNBUVSUESII-DOMZBBRYSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)c([O-])c1 ZINC001249173695 893853020 /nfs/dbraw/zinc/85/30/20/893853020.db2.gz VHDMNBUVSUESII-DOMZBBRYSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c([O-])c1 ZINC001249173573 893853544 /nfs/dbraw/zinc/85/35/44/893853544.db2.gz UDQOTIHQXQOTJH-WFASDCNBSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)c([O-])c1 ZINC001249173573 893853563 /nfs/dbraw/zinc/85/35/63/893853563.db2.gz UDQOTIHQXQOTJH-WFASDCNBSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[NH+]2CCC(C(C)=O)CC2)c([O-])c1 ZINC001249201463 893861984 /nfs/dbraw/zinc/86/19/84/893861984.db2.gz TWUMJLFJCZGMPM-UHFFFAOYSA-N 0 3 305.374 1.909 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@@H](O)[C@H](CO)C3)ccc2O1 ZINC001249223232 893878579 /nfs/dbraw/zinc/87/85/79/893878579.db2.gz BXRFBSJJXRSWAR-DZGCQCFKSA-N 0 3 319.401 1.752 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@@H](O)[C@H](CO)C3)ccc2O1 ZINC001249223232 893878597 /nfs/dbraw/zinc/87/85/97/893878597.db2.gz BXRFBSJJXRSWAR-DZGCQCFKSA-N 0 3 319.401 1.752 20 10 DDCDHN COc1ccc(CN[C@@H](CO)CNC(=O)C2CC=CC2)cc1C ZINC001283741865 907881442 /nfs/dbraw/zinc/88/14/42/907881442.db2.gz BRXOAONXDARFMT-MRXNPFEDSA-N 0 3 318.417 1.537 20 10 DDCDHN Cc1ccc([C@@H](C)NCCS(=O)(=O)NC(C)C)c(O)c1C ZINC000273512910 130130953 /nfs/dbraw/zinc/13/09/53/130130953.db2.gz RXSCPHOLBXBYGQ-CYBMUJFWSA-N 0 3 314.451 1.987 20 10 DDCDHN O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000275161776 130295478 /nfs/dbraw/zinc/29/54/78/130295478.db2.gz YPMMOEPNZXEJPU-NSHDSACASA-N 0 3 302.296 1.893 20 10 DDCDHN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000275161776 130295480 /nfs/dbraw/zinc/29/54/80/130295480.db2.gz YPMMOEPNZXEJPU-NSHDSACASA-N 0 3 302.296 1.893 20 10 DDCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C)c([O-])c1 ZINC000285034482 131132350 /nfs/dbraw/zinc/13/23/50/131132350.db2.gz HXDFYIMQHUAMMJ-CYBMUJFWSA-N 0 3 314.451 1.987 20 10 DDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC000299572139 132111764 /nfs/dbraw/zinc/11/17/64/132111764.db2.gz BSISZWRDTJMLPI-OAHLLOKOSA-N 0 3 317.433 1.686 20 10 DDCDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC000186728548 407759165 /nfs/dbraw/zinc/75/91/65/407759165.db2.gz KKHIAIAJSDBJIF-CRAIPNDOSA-N 0 3 319.449 1.901 20 10 DDCDHN COc1cc([O-])c(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1OC ZINC000280979003 408867827 /nfs/dbraw/zinc/86/78/27/408867827.db2.gz WAKLYUZZYUYSIC-AAEUAGOBSA-N 0 3 311.378 1.144 20 10 DDCDHN COC[C@H](CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000279857641 409252278 /nfs/dbraw/zinc/25/22/78/409252278.db2.gz SHWCXUYMPXLNBH-NSHDSACASA-N 0 3 304.184 1.560 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1 ZINC000289702475 409284493 /nfs/dbraw/zinc/28/44/93/409284493.db2.gz OPFUVNOLJUIYLZ-DYVFJYSZSA-N 0 3 317.389 1.653 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1 ZINC000289702475 409284496 /nfs/dbraw/zinc/28/44/96/409284496.db2.gz OPFUVNOLJUIYLZ-DYVFJYSZSA-N 0 3 317.389 1.653 20 10 DDCDHN CCOc1cccc(C[NH2+]CCN2CCOC(C)(C)C2)c1[O-] ZINC000171766741 221760083 /nfs/dbraw/zinc/76/00/83/221760083.db2.gz QRLRBHNHEJHMBB-UHFFFAOYSA-N 0 3 308.422 1.991 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000296481793 418587008 /nfs/dbraw/zinc/58/70/08/418587008.db2.gz OHHFNIGBFOPEQQ-CHWSQXEVSA-N 0 3 314.451 1.987 20 10 DDCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1C(=O)N1CCOCC1 ZINC000375531417 418655850 /nfs/dbraw/zinc/65/58/50/418655850.db2.gz DFZRRPKHVOXSRO-IUODEOHRSA-N 0 3 322.380 1.458 20 10 DDCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1C(=O)N1CCOCC1 ZINC000375531417 418655852 /nfs/dbraw/zinc/65/58/52/418655852.db2.gz DFZRRPKHVOXSRO-IUODEOHRSA-N 0 3 322.380 1.458 20 10 DDCDHN CN(C)c1ccc(C2=CCN(C[C@H](O)Cn3cccn3)C2)cc1 ZINC000368036192 418676942 /nfs/dbraw/zinc/67/69/42/418676942.db2.gz QONKFTJAWKGUQM-SFHVURJKSA-N 0 3 312.417 1.709 20 10 DDCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1ccccc1[O-] ZINC000362258613 418751312 /nfs/dbraw/zinc/75/13/12/418751312.db2.gz RHYLFNVXBSPZJO-ZIAGYGMSSA-N 0 3 314.389 1.972 20 10 DDCDHN CN1CCN(C[C@H]2CCC[N@H+](Cc3cccc(F)c3[O-])C2)CC1 ZINC000377633315 290047172 /nfs/dbraw/zinc/04/71/72/290047172.db2.gz XBPYBVUYFRJDTO-OAHLLOKOSA-N 0 3 321.440 1.991 20 10 DDCDHN CN1CCN(C[C@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)CC1 ZINC000377633315 290047174 /nfs/dbraw/zinc/04/71/74/290047174.db2.gz XBPYBVUYFRJDTO-OAHLLOKOSA-N 0 3 321.440 1.991 20 10 DDCDHN CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](CC)c2ccccc2[O-])C1 ZINC000368796862 520044265 /nfs/dbraw/zinc/04/42/65/520044265.db2.gz LHMSXLUWLQKXNU-OCCSQVGLSA-N 0 3 312.435 1.857 20 10 DDCDHN CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](CC)c2ccccc2[O-])C1 ZINC000368796862 520044273 /nfs/dbraw/zinc/04/42/73/520044273.db2.gz LHMSXLUWLQKXNU-OCCSQVGLSA-N 0 3 312.435 1.857 20 10 DDCDHN CCOCc1cc(CNC2(CO)CCOCC2)ccc1OC ZINC000265292318 520186345 /nfs/dbraw/zinc/18/63/45/520186345.db2.gz ZZRCIXCYYKTNAG-UHFFFAOYSA-N 0 3 309.406 1.863 20 10 DDCDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180240407 523819104 /nfs/dbraw/zinc/81/91/04/523819104.db2.gz RBSRMRIOGIQOJM-OAHLLOKOSA-N 0 3 321.396 1.270 20 10 DDCDHN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1CC(C)(C)O ZINC000188965494 524616002 /nfs/dbraw/zinc/61/60/02/524616002.db2.gz YLIHKAHKFFLMEC-LBPRGKRZSA-N 0 3 322.405 1.398 20 10 DDCDHN COc1cccc(C[NH+]2CCC(Cn3cncn3)CC2)c1[O-] ZINC000189969738 525932054 /nfs/dbraw/zinc/93/20/54/525932054.db2.gz ISHWPDJVQHKLGF-UHFFFAOYSA-N 0 3 302.378 1.905 20 10 DDCDHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc([O-])cs1 ZINC000747616452 700077649 /nfs/dbraw/zinc/07/76/49/700077649.db2.gz KLNOAXLOIZSOPQ-KGYLQXTDSA-N 0 3 310.419 1.777 20 10 DDCDHN O=S1(=O)CCC[C@H]1CNCc1ccc(N2CCOCC2)cc1 ZINC000126788484 696765339 /nfs/dbraw/zinc/76/53/39/696765339.db2.gz XHQGNRPFNGWKDX-INIZCTEOSA-N 0 3 324.446 1.190 20 10 DDCDHN C[C@@H]1[C@H](NCc2ccc(N3CCOCC3)cc2)CCS1(=O)=O ZINC000319230399 698710829 /nfs/dbraw/zinc/71/08/29/698710829.db2.gz KLRAXIHFBCBMLY-CZUORRHYSA-N 0 3 324.446 1.188 20 10 DDCDHN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)CC[C@@H]1N1CCN(C)CC1 ZINC000765419778 701011118 /nfs/dbraw/zinc/01/11/18/701011118.db2.gz DGRAUJGTDMUNAK-OCCSQVGLSA-N 0 3 323.462 1.552 20 10 DDCDHN COCCOC[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464946 701180587 /nfs/dbraw/zinc/18/05/87/701180587.db2.gz CPOVXUYQBGWXND-WBMJQRKESA-N 0 3 323.389 1.303 20 10 DDCDHN COCCOC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464946 701180588 /nfs/dbraw/zinc/18/05/88/701180588.db2.gz CPOVXUYQBGWXND-WBMJQRKESA-N 0 3 323.389 1.303 20 10 DDCDHN COCCN(C)CCNC(=O)NCc1cc(Cl)ccc1O ZINC000844949406 703089501 /nfs/dbraw/zinc/08/95/01/703089501.db2.gz YDJDMLHMGZUABZ-UHFFFAOYSA-N 0 3 315.801 1.423 20 10 DDCDHN CCOc1ccc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000846075288 703234785 /nfs/dbraw/zinc/23/47/85/703234785.db2.gz OHHBJVKHEIXRQU-GFCCVEGCSA-N 0 3 304.390 1.891 20 10 DDCDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)CCF)c1[O-] ZINC000846096646 703237563 /nfs/dbraw/zinc/23/75/63/703237563.db2.gz JJKJTSYJRWYPHY-SNVBAGLBSA-N 0 3 322.174 1.973 20 10 DDCDHN Cc1cc(NCc2ccc(N3CCC(O)CC3)cc2)nc(N)n1 ZINC000853954426 704339495 /nfs/dbraw/zinc/33/94/95/704339495.db2.gz DIEQVPMJUAWYGX-UHFFFAOYSA-N 0 3 313.405 1.940 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@@H](O)[C@@H]2CCCO2)cc1F ZINC000858227642 704682122 /nfs/dbraw/zinc/68/21/22/704682122.db2.gz WLMQRHVYCNWJFB-CABCVRRESA-N 0 3 300.349 1.660 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000822529883 704968666 /nfs/dbraw/zinc/96/86/66/704968666.db2.gz KXOZGYDLRUCULL-UHFFFAOYSA-N 0 3 305.378 1.390 20 10 DDCDHN COc1cc(CN2CC[C@@H](NC(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000824943407 705562866 /nfs/dbraw/zinc/56/28/66/705562866.db2.gz NBYYEAYFLGDFIT-GFCCVEGCSA-N 0 3 321.421 1.941 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c([O-])c1 ZINC000827544900 706023500 /nfs/dbraw/zinc/02/35/00/706023500.db2.gz NHTQQKRJBMPFBD-CQSZACIVSA-N 0 3 321.421 1.979 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c([O-])c1 ZINC000827544900 706023503 /nfs/dbraw/zinc/02/35/03/706023503.db2.gz NHTQQKRJBMPFBD-CQSZACIVSA-N 0 3 321.421 1.979 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000877501990 706125001 /nfs/dbraw/zinc/12/50/01/706125001.db2.gz XYCYVZKEEYJSBB-JSGCOSHPSA-N 0 3 312.435 1.508 20 10 DDCDHN CCS(=O)(=O)NC1CCN(Cc2ccc(C)cc2O)CC1 ZINC000877524779 706131638 /nfs/dbraw/zinc/13/16/38/706131638.db2.gz FMVBJQUULPTCEM-UHFFFAOYSA-N 0 3 312.435 1.604 20 10 DDCDHN CN1CCN(Cc2ccc(N3CCCCC3)cc2)[C@@H](CO)C1 ZINC000877644136 706168104 /nfs/dbraw/zinc/16/81/04/706168104.db2.gz MMBYJQVLSRAUKF-GOSISDBHSA-N 0 3 303.450 1.785 20 10 DDCDHN CN(C)c1ccc(CN2CCC3(CCNC3=O)CC2)cc1F ZINC000877783186 706209920 /nfs/dbraw/zinc/20/99/20/706209920.db2.gz IMZGDXAVBRNIQO-UHFFFAOYSA-N 0 3 305.397 1.994 20 10 DDCDHN CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccccc2[O-])cc1 ZINC000865818796 706536067 /nfs/dbraw/zinc/53/60/67/706536067.db2.gz FHKOFNHZUKOUQC-UHFFFAOYSA-N 0 3 320.414 1.633 20 10 DDCDHN [O-]c1ccc(F)cc1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000896690254 708120961 /nfs/dbraw/zinc/12/09/61/708120961.db2.gz NJYLTAMQXREJSF-UHFFFAOYSA-N 0 3 311.353 1.669 20 10 DDCDHN Cc1cc(C(=O)NCCN(C)CCO)c(C)n1-c1ccccn1 ZINC000899732004 709180432 /nfs/dbraw/zinc/18/04/32/709180432.db2.gz SCCDXIMNHQGKCP-UHFFFAOYSA-N 0 3 316.405 1.143 20 10 DDCDHN C[C@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000900185712 709319276 /nfs/dbraw/zinc/31/92/76/709319276.db2.gz RBABPDADSCLKFA-BXUZGUMPSA-N 0 3 304.394 1.296 20 10 DDCDHN COC[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891470342 710210534 /nfs/dbraw/zinc/21/05/34/710210534.db2.gz MCKBNTHOPIFEIL-BBRMVZONSA-N 0 3 322.453 1.689 20 10 DDCDHN COc1ccc(CN[C@H]2CCN(C(C)C)C2=O)c(O)c1OC ZINC000892976979 710535393 /nfs/dbraw/zinc/53/53/93/710535393.db2.gz LIGXZYIQOFPXKL-LBPRGKRZSA-N 0 3 308.378 1.508 20 10 DDCDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cn(C)nn1 ZINC000903086964 711028423 /nfs/dbraw/zinc/02/84/23/711028423.db2.gz CUQRXRGVWWTULE-CQSZACIVSA-N 0 3 314.437 1.418 20 10 DDCDHN CC[C@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000903366673 711106252 /nfs/dbraw/zinc/10/62/52/711106252.db2.gz UPBLCKNWNOEDPK-ZFWWWQNUSA-N 0 3 313.419 1.637 20 10 DDCDHN COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccc(OC)cc2[O-])C1(F)F ZINC000894635927 711225384 /nfs/dbraw/zinc/22/53/84/711225384.db2.gz JJNLUEWZEKUBGF-JQWIXIFHSA-N 0 3 301.289 1.545 20 10 DDCDHN CN(C)c1ccc(CN(CCN2C(=O)CCC2=O)C2CC2)cc1 ZINC000917075178 713481252 /nfs/dbraw/zinc/48/12/52/713481252.db2.gz RQCKXZZRPUMACP-UHFFFAOYSA-N 0 3 315.417 1.866 20 10 DDCDHN C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000921435033 713769591 /nfs/dbraw/zinc/76/95/91/713769591.db2.gz TXAZPDPNDNGANA-HZMBPMFUSA-N 0 3 307.369 1.813 20 10 DDCDHN C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000921435033 713769592 /nfs/dbraw/zinc/76/95/92/713769592.db2.gz TXAZPDPNDNGANA-HZMBPMFUSA-N 0 3 307.369 1.813 20 10 DDCDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cn(C)cn2)C1 ZINC000932416356 714326071 /nfs/dbraw/zinc/32/60/71/714326071.db2.gz ONLQWMDNPWDFES-QWGSZXSUSA-N 0 3 310.401 1.953 20 10 DDCDHN CN(C)C[C@H]1NC(=O)N(CCCSc2nccs2)C1=O ZINC000924639983 714625773 /nfs/dbraw/zinc/62/57/73/714625773.db2.gz IXISKVCXEIVLAP-SECBINFHSA-N 0 3 314.436 1.107 20 10 DDCDHN CC[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccccc1[O-] ZINC000925791106 714936281 /nfs/dbraw/zinc/93/62/81/714936281.db2.gz FFMVFAGUSPSJGA-GXTWGEPZSA-N 0 3 312.435 1.210 20 10 DDCDHN CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)CO1 ZINC001169407261 762400066 /nfs/dbraw/zinc/40/00/66/762400066.db2.gz AWJQLUMUAFZBKA-CZUORRHYSA-N 0 3 305.374 1.861 20 10 DDCDHN CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)CO1 ZINC001169407261 762400072 /nfs/dbraw/zinc/40/00/72/762400072.db2.gz AWJQLUMUAFZBKA-CZUORRHYSA-N 0 3 305.374 1.861 20 10 DDCDHN Cc1cnc(N2CCN(Cc3c(O)cc(O)cc3O)CC2)s1 ZINC001144514492 772558418 /nfs/dbraw/zinc/55/84/18/772558418.db2.gz HWHIBOFABJWQRA-UHFFFAOYSA-N 0 3 321.402 1.891 20 10 DDCDHN C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCC(=O)c1ccc([O-])c(O)c1)C2 ZINC001172107600 776648088 /nfs/dbraw/zinc/64/80/88/776648088.db2.gz FRMQTOAHDLZDNZ-ZSOGYDGISA-N 0 3 304.390 1.885 20 10 DDCDHN C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCC(=O)c1ccc([O-])c(O)c1)C2 ZINC001172107600 776648095 /nfs/dbraw/zinc/64/80/95/776648095.db2.gz FRMQTOAHDLZDNZ-ZSOGYDGISA-N 0 3 304.390 1.885 20 10 DDCDHN Cc1cnccc1Nc1ccc(S(=O)(=O)N(C)C)cc1O ZINC001174538981 777501235 /nfs/dbraw/zinc/50/12/35/777501235.db2.gz AJIZMRPDBRSYAL-UHFFFAOYSA-N 0 3 307.375 1.511 20 10 DDCDHN COC(=O)[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCCO1 ZINC001139673496 779581232 /nfs/dbraw/zinc/58/12/32/779581232.db2.gz IVDQCEFWRQSZSJ-MRXNPFEDSA-N 0 3 306.406 1.825 20 10 DDCDHN CC(=O)NCCN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326301828 861266739 /nfs/dbraw/zinc/26/67/39/861266739.db2.gz BSDRBDYFDXBFGH-UHFFFAOYSA-N 0 3 322.428 1.145 20 10 DDCDHN CC[C@@H](C)N1C[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272619203 846416691 /nfs/dbraw/zinc/41/66/91/846416691.db2.gz SFNNZUDUXDBRBJ-RDTXWAMCSA-N 0 3 318.417 1.994 20 10 DDCDHN CC[C@@H](C)N1C[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272619203 846416694 /nfs/dbraw/zinc/41/66/94/846416694.db2.gz SFNNZUDUXDBRBJ-RDTXWAMCSA-N 0 3 318.417 1.994 20 10 DDCDHN COc1cc([O-])c(CN2C[C@H]3C[C@@]3([NH3+])C2)c(Br)c1 ZINC001236028558 846523989 /nfs/dbraw/zinc/52/39/89/846523989.db2.gz QHIFTIAUNCKTSM-AMIZOPFISA-N 0 3 313.195 1.696 20 10 DDCDHN CC(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c([O-])c1 ZINC001274779934 852597057 /nfs/dbraw/zinc/59/70/57/852597057.db2.gz PTKJOEGVIYSXTI-GOSISDBHSA-N 0 3 318.417 1.949 20 10 DDCDHN CC(C)c1ccc(C[N@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c([O-])c1 ZINC001274779934 852597061 /nfs/dbraw/zinc/59/70/61/852597061.db2.gz PTKJOEGVIYSXTI-GOSISDBHSA-N 0 3 318.417 1.949 20 10 DDCDHN CN1CCCc2cc(CN3CC[C@H](O)[C@@](C)(CO)C3)ccc21 ZINC001138354404 860071639 /nfs/dbraw/zinc/07/16/39/860071639.db2.gz IGIVDSZSWOAVER-ZWKOTPCHSA-N 0 3 304.434 1.634 20 10 DDCDHN COc1cc(CN2CCC[C@H](F)C(=O)C2)cc(CN(C)C)c1O ZINC001139252927 860337290 /nfs/dbraw/zinc/33/72/90/860337290.db2.gz FURQRPIWSWNFFC-AWEZNQCLSA-N 0 3 324.396 1.965 20 10 DDCDHN COCCN1CCC2(CC[NH+](Cc3ccccc3[O-])CC2)C1=O ZINC001203552123 870636781 /nfs/dbraw/zinc/63/67/81/870636781.db2.gz BOHZXJXURKQEHW-UHFFFAOYSA-N 0 3 318.417 1.853 20 10 DDCDHN COc1cc(CN(C(C)C)[C@@H]2CCN(C(C)=O)C2)cc(O)c1O ZINC001204349996 871072271 /nfs/dbraw/zinc/07/22/71/871072271.db2.gz ZNXPVLUEJDBJPN-CQSZACIVSA-N 0 3 322.405 1.938 20 10 DDCDHN C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001205488925 871581262 /nfs/dbraw/zinc/58/12/62/871581262.db2.gz FHTRRICNJMENSO-LBPRGKRZSA-N 0 3 313.392 1.786 20 10 DDCDHN [NH3+]C[C@@]1(O)CCCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001205724924 871754291 /nfs/dbraw/zinc/75/42/91/871754291.db2.gz AREMXRUEWZXGFU-AWEZNQCLSA-N 0 3 302.777 1.860 20 10 DDCDHN Oc1c(F)cccc1CN1CC2(CCN2CCn2ccnc2)C1 ZINC001276537889 873341155 /nfs/dbraw/zinc/34/11/55/873341155.db2.gz OWTYTORGGCTWDF-UHFFFAOYSA-N 0 3 316.380 1.688 20 10 DDCDHN NC(=O)C1CCN(c2ccc(CNCc3c[nH]cn3)cc2)CC1 ZINC001350338717 875635975 /nfs/dbraw/zinc/63/59/75/875635975.db2.gz VDJHPHNZZLSGLY-UHFFFAOYSA-N 0 3 313.405 1.401 20 10 DDCDHN NC(=O)C1CCN(c2ccc(CNCc3cnc[nH]3)cc2)CC1 ZINC001350338717 875635981 /nfs/dbraw/zinc/63/59/81/875635981.db2.gz VDJHPHNZZLSGLY-UHFFFAOYSA-N 0 3 313.405 1.401 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)C1=NOC2(C1)CC[NH2+]CC2 ZINC001354864388 878282445 /nfs/dbraw/zinc/28/24/45/878282445.db2.gz IMQDMHVAJRQIMU-UHFFFAOYSA-N 0 3 307.325 1.046 20 10 DDCDHN CCOC(=O)[C@@H]1CCCN(Cc2cc(OC)c(O)cc2O)C1 ZINC001231636562 885771375 /nfs/dbraw/zinc/77/13/75/885771375.db2.gz YBDMUMSVMYVTSU-LLVKDONJSA-N 0 3 309.362 1.882 20 10 DDCDHN [O-]c1c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cccc1OC(F)(F)F ZINC001233728621 887253681 /nfs/dbraw/zinc/25/36/81/887253681.db2.gz XOYGMWYLJKJRPM-WDEREUQCSA-N 0 3 321.295 1.466 20 10 DDCDHN [O-]c1c(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)cccc1OC(F)(F)F ZINC001233728621 887253691 /nfs/dbraw/zinc/25/36/91/887253691.db2.gz XOYGMWYLJKJRPM-WDEREUQCSA-N 0 3 321.295 1.466 20 10 DDCDHN CN1CCN(c2ccc(CN3CCCOCC3)c(F)c2)CC1 ZINC001236933075 889430148 /nfs/dbraw/zinc/43/01/48/889430148.db2.gz UOOSMWYJNIYHJM-UHFFFAOYSA-N 0 3 307.413 1.800 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC(C)(O)CC3)c(F)c2)CC1 ZINC001236933639 889431099 /nfs/dbraw/zinc/43/10/99/889431099.db2.gz ZBDLVSUFELZADO-UHFFFAOYSA-N 0 3 321.440 1.924 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c([O-])c1 ZINC001249177913 893854493 /nfs/dbraw/zinc/85/44/93/893854493.db2.gz LIAOHKLTHGNOPK-QGZVFWFLSA-N 0 3 305.374 1.720 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)c([O-])c1 ZINC001249177913 893854511 /nfs/dbraw/zinc/85/45/11/893854511.db2.gz LIAOHKLTHGNOPK-QGZVFWFLSA-N 0 3 305.374 1.720 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c([O-])c1 ZINC001249201061 893862618 /nfs/dbraw/zinc/86/26/18/893862618.db2.gz CHKXMEHWLZHKSV-OAHLLOKOSA-N 0 3 320.389 1.208 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](NC(C)=O)C2)c([O-])c1 ZINC001249201061 893862639 /nfs/dbraw/zinc/86/26/39/893862639.db2.gz CHKXMEHWLZHKSV-OAHLLOKOSA-N 0 3 320.389 1.208 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c([O-])c1 ZINC001249207336 893866038 /nfs/dbraw/zinc/86/60/38/893866038.db2.gz CATRQDHEQRVNLS-AWEZNQCLSA-N 0 3 320.389 1.160 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)c([O-])c1 ZINC001249207336 893866052 /nfs/dbraw/zinc/86/60/52/893866052.db2.gz CATRQDHEQRVNLS-AWEZNQCLSA-N 0 3 320.389 1.160 20 10 DDCDHN Cc1cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c([O-])cc1Br ZINC001250129075 894201323 /nfs/dbraw/zinc/20/13/23/894201323.db2.gz WIVHWUOTJKGTQG-SECBINFHSA-N 0 3 313.195 1.770 20 10 DDCDHN Cc1cc(C[N@H+]2CC[C@@H](C(N)=O)C2)c([O-])cc1Br ZINC001250129075 894201339 /nfs/dbraw/zinc/20/13/39/894201339.db2.gz WIVHWUOTJKGTQG-SECBINFHSA-N 0 3 313.195 1.770 20 10 DDCDHN [O-]c1ccccc1C[NH2+]C[C@H](O)COc1ccc(CCO)cc1 ZINC001253157024 895672462 /nfs/dbraw/zinc/67/24/62/895672462.db2.gz IMZPUQAAOPVOEY-INIZCTEOSA-N 0 3 317.385 1.457 20 10 DDCDHN CC(C)N(CC(N)=O)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001253969040 896190397 /nfs/dbraw/zinc/19/03/97/896190397.db2.gz YUMXMERETKICBL-UHFFFAOYSA-N 0 3 322.428 1.273 20 10 DDCDHN COc1cccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1[O-] ZINC000077458057 353470880 /nfs/dbraw/zinc/47/08/80/353470880.db2.gz HXOZHEVJDBZJFI-OLZOCXBDSA-N 0 3 313.419 1.846 20 10 DDCDHN Cn1cc(C[C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)cn1 ZINC000083113881 353706689 /nfs/dbraw/zinc/70/66/89/353706689.db2.gz WDLDSWLYWAABGZ-LBPRGKRZSA-N 0 3 315.373 1.919 20 10 DDCDHN Cn1cc(C[C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)cn1 ZINC000083113881 353706692 /nfs/dbraw/zinc/70/66/92/353706692.db2.gz WDLDSWLYWAABGZ-LBPRGKRZSA-N 0 3 315.373 1.919 20 10 DDCDHN CC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000236994286 202112401 /nfs/dbraw/zinc/11/24/01/202112401.db2.gz QXXHQJHZQZPZFN-YOEHRIQHSA-N 0 3 319.449 1.855 20 10 DDCDHN C[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cc(F)ccc1[O-] ZINC000273556282 130137210 /nfs/dbraw/zinc/13/72/10/130137210.db2.gz GXEXSSXGELUVKY-SMDDNHRTSA-N 0 3 309.385 1.522 20 10 DDCDHN COC(=O)c1cn(CC[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])nn1 ZINC000284067695 131045231 /nfs/dbraw/zinc/04/52/31/131045231.db2.gz MZXCLXCRSWRWCN-GFCCVEGCSA-N 0 3 318.377 1.738 20 10 DDCDHN CCC[C@]1(NCC(=O)NCc2ccc(N(C)C)cc2)CCOC1 ZINC000297943659 132041702 /nfs/dbraw/zinc/04/17/02/132041702.db2.gz ANLZQHDZZCCDSS-SFHVURJKSA-N 0 3 319.449 1.918 20 10 DDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000093665212 407201403 /nfs/dbraw/zinc/20/14/03/407201403.db2.gz BRMFHINWGIUDOS-OAHLLOKOSA-N 0 3 320.433 1.945 20 10 DDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000093665212 407201404 /nfs/dbraw/zinc/20/14/04/407201404.db2.gz BRMFHINWGIUDOS-OAHLLOKOSA-N 0 3 320.433 1.945 20 10 DDCDHN CCOc1ccc(O)c(CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000093817957 407202772 /nfs/dbraw/zinc/20/27/72/407202772.db2.gz OJJLKLMWUSMYJB-HNNXBMFYSA-N 0 3 320.433 1.945 20 10 DDCDHN CN(CC(=O)N1CCOCC1)Cc1c(O)ccc2ccccc21 ZINC000111164089 407399911 /nfs/dbraw/zinc/39/99/11/407399911.db2.gz BYIISHPIAIIFBT-UHFFFAOYSA-N 0 3 314.385 1.836 20 10 DDCDHN C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000186169179 407596336 /nfs/dbraw/zinc/59/63/36/407596336.db2.gz BYSXMGVCYBZLTM-ZYHUDNBSSA-N 0 3 316.398 1.606 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCCN1 ZINC000237222530 407806768 /nfs/dbraw/zinc/80/67/68/407806768.db2.gz AIKIJKQBKYFDGY-QGZVFWFLSA-N 0 3 317.433 1.624 20 10 DDCDHN CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000179558809 407807921 /nfs/dbraw/zinc/80/79/21/407807921.db2.gz MSEZYTFHPFSJCS-CQSZACIVSA-N 0 3 312.435 1.686 20 10 DDCDHN CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000179558809 407807923 /nfs/dbraw/zinc/80/79/23/407807923.db2.gz MSEZYTFHPFSJCS-CQSZACIVSA-N 0 3 312.435 1.686 20 10 DDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000273621365 408269036 /nfs/dbraw/zinc/26/90/36/408269036.db2.gz ZCYPIRHYJICXPK-OLZOCXBDSA-N 0 3 312.435 1.775 20 10 DDCDHN CN(C)C/C=C/C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000264594699 408540701 /nfs/dbraw/zinc/54/07/01/408540701.db2.gz BPFVVLUPSIVSSX-SNAWJCMRSA-N 0 3 317.433 1.599 20 10 DDCDHN CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185029886 408741884 /nfs/dbraw/zinc/74/18/84/408741884.db2.gz DPCOHEOYDSJBOX-LLVKDONJSA-N 0 3 318.414 1.854 20 10 DDCDHN CN1CCCc2cc(CNC(=O)[C@@H](N)C3CCOCC3)ccc21 ZINC000282855867 409068429 /nfs/dbraw/zinc/06/84/29/409068429.db2.gz XTTBZPFQDUSIQI-KRWDZBQOSA-N 0 3 317.433 1.439 20 10 DDCDHN COc1ccc([O-])c(C[NH2+]CC2(OCCO)CCOCC2)c1 ZINC000282430105 409052953 /nfs/dbraw/zinc/05/29/53/409052953.db2.gz FFTFXKVCSLMCJT-UHFFFAOYSA-N 0 3 311.378 1.049 20 10 DDCDHN Cc1ccc(O)c(CN2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000279417139 409211173 /nfs/dbraw/zinc/21/11/73/409211173.db2.gz MVLJQAVEYJFOIX-HNNXBMFYSA-N 0 3 324.446 1.701 20 10 DDCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)c([O-])c1 ZINC000293898774 409203618 /nfs/dbraw/zinc/20/36/18/409203618.db2.gz WIRFTXGNOXCTGV-OAHLLOKOSA-N 0 3 319.449 1.824 20 10 DDCDHN CC(C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)S(C)(=O)=O ZINC000374846572 418569351 /nfs/dbraw/zinc/56/93/51/418569351.db2.gz OZUNFTKEKHFYNV-GFCCVEGCSA-N 0 3 322.430 1.411 20 10 DDCDHN COc1cccc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1[O-] ZINC000377727129 418713866 /nfs/dbraw/zinc/71/38/66/418713866.db2.gz UAFICIGGSNZESE-CYBMUJFWSA-N 0 3 302.378 1.503 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)c1 ZINC000273595870 295168493 /nfs/dbraw/zinc/16/84/93/295168493.db2.gz QMQCBQWYDVPPNF-WFASDCNBSA-N 0 3 321.421 1.391 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN(C)C[C@H]2CCOC2)cc1 ZINC000178356981 522166700 /nfs/dbraw/zinc/16/67/00/522166700.db2.gz HBTNDJDOLRHVBX-MRXNPFEDSA-N 0 3 319.449 1.679 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c1 ZINC000182472097 524769008 /nfs/dbraw/zinc/76/90/08/524769008.db2.gz CXLXNHSHVQPBGM-NSHDSACASA-N 0 3 313.419 1.876 20 10 DDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000237949219 526374013 /nfs/dbraw/zinc/37/40/13/526374013.db2.gz ALONCNDBZKXMKF-GOSISDBHSA-N 0 3 312.413 1.901 20 10 DDCDHN NCC(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000366324281 527160082 /nfs/dbraw/zinc/16/00/82/527160082.db2.gz NWDWYNXFUIULBK-SNVBAGLBSA-N 0 3 317.311 1.486 20 10 DDCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[O-])[C@@H]1OC ZINC000274898592 535410516 /nfs/dbraw/zinc/41/05/16/535410516.db2.gz GHYMQYHMUQJABQ-LYRGGWFBSA-N 0 3 311.378 1.691 20 10 DDCDHN CCO[C@@H]1C[C@@H](NCc2cc(OC)c(OC)cc2O)[C@@H]1OC ZINC000274898592 535410522 /nfs/dbraw/zinc/41/05/22/535410522.db2.gz GHYMQYHMUQJABQ-LYRGGWFBSA-N 0 3 311.378 1.691 20 10 DDCDHN C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1[O-] ZINC000797117807 699994871 /nfs/dbraw/zinc/99/48/71/699994871.db2.gz NGUZKBCDRNVEGH-CHWSQXEVSA-N 0 3 312.435 1.857 20 10 DDCDHN CCOCc1cc(CN[C@H]2CCCN(C)C2=O)ccc1OC ZINC000748242019 700107604 /nfs/dbraw/zinc/10/76/04/700107604.db2.gz IQKFKMFDAJMAIH-HNNXBMFYSA-N 0 3 306.406 1.942 20 10 DDCDHN CCN1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000157422931 696978131 /nfs/dbraw/zinc/97/81/31/696978131.db2.gz HYLNHXIVBOBERG-UHFFFAOYSA-N 0 3 307.413 1.800 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)CNC[C@H]1CCCO1 ZINC000169102190 697343556 /nfs/dbraw/zinc/34/35/56/697343556.db2.gz ORVKWXJWCJAUHJ-MRXNPFEDSA-N 0 3 305.422 1.446 20 10 DDCDHN COC(=O)CNC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775837071 698043157 /nfs/dbraw/zinc/04/31/57/698043157.db2.gz RERQJDMBCGIXHX-NEPJUHHUSA-N 0 3 307.394 1.081 20 10 DDCDHN C[NH+](C)CCOC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000776350678 698097918 /nfs/dbraw/zinc/09/79/18/698097918.db2.gz UNDBFQZMEDWZOZ-UHFFFAOYSA-N 0 3 308.378 1.281 20 10 DDCDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1O ZINC000779200266 698401474 /nfs/dbraw/zinc/40/14/74/698401474.db2.gz YSEKYRJGVGWMBY-CXAGYDPISA-N 0 3 308.397 1.865 20 10 DDCDHN O=[N+]([O-])c1cc(CNC[C@H](O)CO)ccc1N1CCCCC1 ZINC000785979624 699114940 /nfs/dbraw/zinc/11/49/40/699114940.db2.gz AAJLDUCCBMNYDY-ZDUSSCGKSA-N 0 3 309.366 1.028 20 10 DDCDHN Oc1cc2c(cc1CN1CC[C@H](OC(F)F)C1)[C@H](O)CO2 ZINC000802747377 700423773 /nfs/dbraw/zinc/42/37/73/700423773.db2.gz KLDWTHKPTFELCS-JOYOIKCWSA-N 0 3 301.289 1.632 20 10 DDCDHN C[C@@H](CNCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O ZINC000754085442 700481946 /nfs/dbraw/zinc/48/19/46/700481946.db2.gz MDFBIGPYIMSPJQ-ZDUSSCGKSA-N 0 3 312.435 1.046 20 10 DDCDHN CNS(=O)(=O)[C@@H]1CCCN(Cc2cc(C)cc(C)c2O)C1 ZINC000754727004 700522505 /nfs/dbraw/zinc/52/25/05/700522505.db2.gz ZYQTYLVLNJHEJI-CQSZACIVSA-N 0 3 312.435 1.523 20 10 DDCDHN C[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756789956 700641156 /nfs/dbraw/zinc/64/11/56/700641156.db2.gz JHFVFPFYTGHHGE-JQWIXIFHSA-N 0 3 308.353 1.528 20 10 DDCDHN COc1cccc(O)c1CN1CC[C@H](NC(=O)NC2CC2)C1 ZINC000761228160 700851848 /nfs/dbraw/zinc/85/18/48/700851848.db2.gz ICQGEPVGCNOZCQ-LBPRGKRZSA-N 0 3 305.378 1.437 20 10 DDCDHN COCC(=O)NC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000768885489 701213977 /nfs/dbraw/zinc/21/39/77/701213977.db2.gz YDPONJFGJWKVJU-UHFFFAOYSA-N 0 3 308.378 1.128 20 10 DDCDHN COC(=O)C[C@]1(NCc2ccc(N(C)C)c(C)c2)CCOC1 ZINC000815092523 701797548 /nfs/dbraw/zinc/79/75/48/701797548.db2.gz JDAFNNGRMJCPHF-QGZVFWFLSA-N 0 3 306.406 1.873 20 10 DDCDHN COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H]2O)c1[O-] ZINC000818230991 702612031 /nfs/dbraw/zinc/61/20/31/702612031.db2.gz LRPUAVQBDOWGBD-NXEZZACHSA-N 0 3 302.168 1.776 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC[C@@H]1CCCO1 ZINC000843487450 702891563 /nfs/dbraw/zinc/89/15/63/702891563.db2.gz GNEYSNQNCYYCKS-KRWDZBQOSA-N 0 3 319.449 1.870 20 10 DDCDHN CCN(CC)CC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846446068 703277248 /nfs/dbraw/zinc/27/72/48/703277248.db2.gz IHFLDJRBKWNQJO-UHFFFAOYSA-N 0 3 307.438 1.932 20 10 DDCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000879651866 706749953 /nfs/dbraw/zinc/74/99/53/706749953.db2.gz NOAZPPBVMVTMIK-RWMBFGLXSA-N 0 3 319.405 1.155 20 10 DDCDHN COC(=O)CCN1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000879650401 706749371 /nfs/dbraw/zinc/74/93/71/706749371.db2.gz ZMALHIJIKLUGMH-WCQYABFASA-N 0 3 306.362 1.207 20 10 DDCDHN COC(=O)[C@@H]1OCC[C@@H]1NC/C=C\c1ccc(N(C)C)cc1 ZINC000826957948 705899836 /nfs/dbraw/zinc/89/98/36/705899836.db2.gz LSMJQMOASVFNOE-XETQRACLSA-N 0 3 304.390 1.686 20 10 DDCDHN COC[C@]1(C(=O)NCc2ccc(OC)cc2O)CCCCN1 ZINC000876910756 705919330 /nfs/dbraw/zinc/91/93/30/705919330.db2.gz LKHJMMGNISTYNS-INIZCTEOSA-N 0 3 308.378 1.176 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000877144939 705996422 /nfs/dbraw/zinc/99/64/22/705996422.db2.gz AGOPZOJIJNPCHQ-UHFFFAOYSA-N 0 3 320.414 1.680 20 10 DDCDHN Cc1ccc(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c(O)c1 ZINC000877485358 706120131 /nfs/dbraw/zinc/12/01/31/706120131.db2.gz RHTRSYHWWYRBBU-OAHLLOKOSA-N 0 3 324.446 1.701 20 10 DDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CC1(O)CCOCC1 ZINC000878151448 706307164 /nfs/dbraw/zinc/30/71/64/706307164.db2.gz QPRVYMXUZGKEOB-MRXNPFEDSA-N 0 3 323.433 1.897 20 10 DDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CC1(O)CCOCC1 ZINC000878151448 706307165 /nfs/dbraw/zinc/30/71/65/706307165.db2.gz QPRVYMXUZGKEOB-MRXNPFEDSA-N 0 3 323.433 1.897 20 10 DDCDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1cccc(O)c1O ZINC000885880062 708649207 /nfs/dbraw/zinc/64/92/07/708649207.db2.gz MTCSTVOJHFPSRW-GFCCVEGCSA-N 0 3 306.362 1.081 20 10 DDCDHN Cc1ccc(C)n1-c1ccc(C(=O)NCCN(C)CCO)cc1 ZINC000899729822 709179150 /nfs/dbraw/zinc/17/91/50/709179150.db2.gz PBIIQDFSPHJLDJ-UHFFFAOYSA-N 0 3 315.417 1.748 20 10 DDCDHN CCC[C@H](N)c1cn(Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000900603321 709672786 /nfs/dbraw/zinc/67/27/86/709672786.db2.gz GIUBBGUQPXTUHR-INIZCTEOSA-N 0 3 315.421 1.963 20 10 DDCDHN COc1ccc(CNC[C@@H]2CCCS2(=O)=O)c(O)c1OC ZINC000893176507 710566920 /nfs/dbraw/zinc/56/69/20/710566920.db2.gz UUNXZJFXMGDRDR-NSHDSACASA-N 0 3 315.391 1.076 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)COCCN2C)c2c1c(F)ccc2[O-] ZINC000903280861 711086831 /nfs/dbraw/zinc/08/68/31/711086831.db2.gz NZCSRVHEQKJEDW-ZUCKAHLUSA-N 0 3 324.396 1.362 20 10 DDCDHN CC[C@@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000903366672 711106257 /nfs/dbraw/zinc/10/62/57/711106257.db2.gz UPBLCKNWNOEDPK-UKRRQHHQSA-N 0 3 313.419 1.637 20 10 DDCDHN COc1ccc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c([O-])c1OC ZINC000894940218 711329616 /nfs/dbraw/zinc/32/96/16/711329616.db2.gz RVKNSXLCSYZIOG-CYBMUJFWSA-N 0 3 322.405 1.898 20 10 DDCDHN COc1ccc(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c([O-])c1OC ZINC000894940218 711329617 /nfs/dbraw/zinc/32/96/17/711329617.db2.gz RVKNSXLCSYZIOG-CYBMUJFWSA-N 0 3 322.405 1.898 20 10 DDCDHN COc1cc(C)cc(CNCc2nc([C@H]3CCCO3)n[nH]2)c1O ZINC000895183463 711446913 /nfs/dbraw/zinc/44/69/13/711446913.db2.gz LFHVPKNXEDZOAU-GFCCVEGCSA-N 0 3 318.377 1.969 20 10 DDCDHN CC1=NO[C@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895301142 711479097 /nfs/dbraw/zinc/47/90/97/711479097.db2.gz GFQFQFPALACOCJ-KRWDZBQOSA-N 0 3 303.406 1.902 20 10 DDCDHN CO[C@@H](C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895738655 711591415 /nfs/dbraw/zinc/59/14/15/711591415.db2.gz OIXGUVWSBXGGIX-BBRMVZONSA-N 0 3 322.453 1.689 20 10 DDCDHN CNC(=O)C1(NCc2ccc(N(C)C)cc2C)CCOCC1 ZINC000895885083 711637447 /nfs/dbraw/zinc/63/74/47/711637447.db2.gz ROQDJMYGVBTUKQ-UHFFFAOYSA-N 0 3 305.422 1.446 20 10 DDCDHN Oc1cc(OCc2ccccc2)ccc1CN[C@H]1CNOC1 ZINC000904425513 711856670 /nfs/dbraw/zinc/85/66/70/711856670.db2.gz PHMRCFFSKMZRQZ-HNNXBMFYSA-N 0 3 300.358 1.964 20 10 DDCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930349970 713811130 /nfs/dbraw/zinc/81/11/30/713811130.db2.gz CTNRSGIPDDNGKG-FUHWJXTLSA-N 0 3 323.433 1.897 20 10 DDCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930349970 713811135 /nfs/dbraw/zinc/81/11/35/713811135.db2.gz CTNRSGIPDDNGKG-FUHWJXTLSA-N 0 3 323.433 1.897 20 10 DDCDHN O=S1(=O)CCCN1CCNCc1ccc2c(c1)CCCO2 ZINC000921689850 713844216 /nfs/dbraw/zinc/84/42/16/713844216.db2.gz HYSUQERWKUQCQT-UHFFFAOYSA-N 0 3 310.419 1.137 20 10 DDCDHN C[C@H]([NH2+]C[C@H]1CN=C(c2cnn(C)c2)O1)c1ccccc1[O-] ZINC000931558158 714127496 /nfs/dbraw/zinc/12/74/96/714127496.db2.gz QEFPNGRFJBFAAE-AAEUAGOBSA-N 0 3 300.362 1.622 20 10 DDCDHN COc1cc(C)c(C[NH2+]CC2(N3CCOCC3)CC2)c([O-])c1 ZINC001181373892 743169778 /nfs/dbraw/zinc/16/97/78/743169778.db2.gz SJTGCHOXGZQSDX-UHFFFAOYSA-N 0 3 306.406 1.664 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)NC3=O)c([O-])c1 ZINC001181586258 743255097 /nfs/dbraw/zinc/25/50/97/743255097.db2.gz AUZXFVMEFVFUQQ-WBMJQRKESA-N 0 3 303.362 1.169 20 10 DDCDHN C[N@@H+]1CCC[C@@]2(CCCN(C(=O)c3cc(O)c([O-])c(O)c3)C2)C1 ZINC001270069686 842269546 /nfs/dbraw/zinc/26/95/46/842269546.db2.gz ODIDQQGNDTWWFE-QGZVFWFLSA-N 0 3 320.389 1.751 20 10 DDCDHN C[N@H+]1CCC[C@@]2(CCCN(C(=O)c3cc(O)c([O-])c(O)c3)C2)C1 ZINC001270069686 842269552 /nfs/dbraw/zinc/26/95/52/842269552.db2.gz ODIDQQGNDTWWFE-QGZVFWFLSA-N 0 3 320.389 1.751 20 10 DDCDHN CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001272619402 846416644 /nfs/dbraw/zinc/41/66/44/846416644.db2.gz VMPLPGMWLMYJMF-DAXOMENPSA-N 0 3 316.401 1.935 20 10 DDCDHN CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001272619402 846416649 /nfs/dbraw/zinc/41/66/49/846416649.db2.gz VMPLPGMWLMYJMF-DAXOMENPSA-N 0 3 316.401 1.935 20 10 DDCDHN CC[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272619195 846417717 /nfs/dbraw/zinc/41/77/17/846417717.db2.gz SFNNZUDUXDBRBJ-KDOFPFPSSA-N 0 3 318.417 1.994 20 10 DDCDHN CC[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272619195 846417723 /nfs/dbraw/zinc/41/77/23/846417723.db2.gz SFNNZUDUXDBRBJ-KDOFPFPSSA-N 0 3 318.417 1.994 20 10 DDCDHN COc1cc([O-])c(CN2CC[C@@H]([NH3+])C2)cc1Br ZINC001236172048 846542078 /nfs/dbraw/zinc/54/20/78/846542078.db2.gz GAPUWCRIUVMBHQ-SECBINFHSA-N 0 3 301.184 1.696 20 10 DDCDHN CCn1ccnc1CN1CC2(C1)CN(Cc1ccccc1O)C2 ZINC001275267779 852940657 /nfs/dbraw/zinc/94/06/57/852940657.db2.gz WTUCDKCOTSVEKS-UHFFFAOYSA-N 0 3 312.417 1.926 20 10 DDCDHN CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1O ZINC001275266743 852940895 /nfs/dbraw/zinc/94/08/95/852940895.db2.gz DMLKLWFSVNIYFU-GASCZTMLSA-N 0 3 303.406 1.129 20 10 DDCDHN C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)ccc1[O-] ZINC001275277020 852950421 /nfs/dbraw/zinc/95/04/21/852950421.db2.gz RHRFITBGJSQWDR-GASCZTMLSA-N 0 3 309.841 1.866 20 10 DDCDHN CCN(CC)c1ccc(CN2C[C@@H](O)[C@H](CO)C2)c(OC)c1 ZINC001138386153 860081806 /nfs/dbraw/zinc/08/18/06/860081806.db2.gz HVERGRZQCXSKRP-GOEBONIOSA-N 0 3 308.422 1.326 20 10 DDCDHN CCN1CCN(c2ccc(CN3CC(C(=O)OC)C3)cc2)CC1 ZINC001140301938 860614685 /nfs/dbraw/zinc/61/46/85/860614685.db2.gz DYEPOVURJPVGIW-UHFFFAOYSA-N 0 3 317.433 1.433 20 10 DDCDHN CCN(CCC(N)=O)Cc1ccc(N2CCOCC2)cc1F ZINC001140661530 860669840 /nfs/dbraw/zinc/66/98/40/860669840.db2.gz IECKXKTXVDMECS-UHFFFAOYSA-N 0 3 309.385 1.360 20 10 DDCDHN Fc1cc(N2CCOCC2)ccc1CN1CCC2(COC2)C1 ZINC001140660363 860669920 /nfs/dbraw/zinc/66/99/20/860669920.db2.gz PRUITIBWHOOGKM-UHFFFAOYSA-N 0 3 306.381 1.885 20 10 DDCDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203622140 870676950 /nfs/dbraw/zinc/67/69/50/870676950.db2.gz QLFWXWJZXQXGKD-NVXWUHKLSA-N 0 3 320.389 1.128 20 10 DDCDHN CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc(OC)cc1[O-])C2 ZINC001203622140 870676957 /nfs/dbraw/zinc/67/69/57/870676957.db2.gz QLFWXWJZXQXGKD-NVXWUHKLSA-N 0 3 320.389 1.128 20 10 DDCDHN COc1cccc(CNC(=O)NC[C@@H]2CCCCN2C)c1O ZINC001346438518 873755515 /nfs/dbraw/zinc/75/55/15/873755515.db2.gz YDJQGSZNOZQWAX-ZDUSSCGKSA-N 0 3 307.394 1.684 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(N)=O)c(OC)c1 ZINC001277589191 885956392 /nfs/dbraw/zinc/95/63/92/885956392.db2.gz WZZHPIWNSWVXOT-JBNLSRPWSA-N 0 3 320.389 1.399 20 10 DDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c([O-])c1 ZINC001236812163 889369811 /nfs/dbraw/zinc/36/98/11/889369811.db2.gz WYRPTSGOGCVPID-HUUCEWRRSA-N 0 3 304.390 1.904 20 10 DDCDHN COc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c([O-])c1 ZINC001236812163 889369822 /nfs/dbraw/zinc/36/98/22/889369822.db2.gz WYRPTSGOGCVPID-HUUCEWRRSA-N 0 3 304.390 1.904 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC(O)CC3)c(F)c2)CC1 ZINC001236933422 889430848 /nfs/dbraw/zinc/43/08/48/889430848.db2.gz WXCBEUUCDGQHFH-UHFFFAOYSA-N 0 3 307.413 1.534 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC3(CC2)COCC(=O)N3)c([O-])c1 ZINC001237050729 889481969 /nfs/dbraw/zinc/48/19/69/889481969.db2.gz WFWLIYKQQVWAIN-UHFFFAOYSA-N 0 3 320.389 1.272 20 10 DDCDHN COc1cc(CN(C)CCN2CCOCC2)c(O)c(OC)c1 ZINC001237674432 889796181 /nfs/dbraw/zinc/79/61/81/889796181.db2.gz HHWCIYSHAIADJT-UHFFFAOYSA-N 0 3 310.394 1.173 20 10 DDCDHN COC(=O)Cc1ccc(C[NH+]2CCC3(CC2)OCCO3)c([O-])c1 ZINC001249177628 893855496 /nfs/dbraw/zinc/85/54/96/893855496.db2.gz GLAQXCRRCLOTMK-UHFFFAOYSA-N 0 3 321.373 1.447 20 10 DDCDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000274517204 130242555 /nfs/dbraw/zinc/24/25/55/130242555.db2.gz WZYAIUDJMJWQMF-LBPRGKRZSA-N 0 3 324.377 1.730 20 10 DDCDHN CCS(=O)(=O)N1CCC([NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000071406847 406838928 /nfs/dbraw/zinc/83/89/28/406838928.db2.gz UDLBRKPAACYZNT-UHFFFAOYSA-N 0 3 312.435 1.604 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCCN2CCCS2(=O)=O)c1 ZINC000271802633 407731466 /nfs/dbraw/zinc/73/14/66/407731466.db2.gz KMNVKOWJTSCXMW-LLVKDONJSA-N 0 3 314.407 1.087 20 10 DDCDHN COc1cc(O)c(CN2CCC(C(=O)N(C)C)CC2)cc1OC ZINC000179433582 407788734 /nfs/dbraw/zinc/78/87/34/407788734.db2.gz SUPXZHRQCPLZPD-UHFFFAOYSA-N 0 3 322.405 1.710 20 10 DDCDHN C[C@@H](O)[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000183202085 408352313 /nfs/dbraw/zinc/35/23/13/408352313.db2.gz QLNGFOLYASSYBJ-ZBFHGGJFSA-N 0 3 319.449 1.414 20 10 DDCDHN CCOC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000247016831 408386393 /nfs/dbraw/zinc/38/63/93/408386393.db2.gz XTEPNDFOQILVQI-JKSUJKDBSA-N 0 3 309.406 1.771 20 10 DDCDHN CCOC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000247016831 408386398 /nfs/dbraw/zinc/38/63/98/408386398.db2.gz XTEPNDFOQILVQI-JKSUJKDBSA-N 0 3 309.406 1.771 20 10 DDCDHN COc1ccc(N2CCCN(CCCNC(C)=O)CC2)cc1 ZINC000165634897 408813110 /nfs/dbraw/zinc/81/31/10/408813110.db2.gz FKRLZZNXKBOUJM-UHFFFAOYSA-N 0 3 305.422 1.734 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1 ZINC000291471079 408870797 /nfs/dbraw/zinc/87/07/97/408870797.db2.gz DVOMDQSJJAUUIP-CZUORRHYSA-N 0 3 306.406 1.696 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1 ZINC000291471079 408870800 /nfs/dbraw/zinc/87/08/00/408870800.db2.gz DVOMDQSJJAUUIP-CZUORRHYSA-N 0 3 306.406 1.696 20 10 DDCDHN COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000278721226 409086616 /nfs/dbraw/zinc/08/66/16/409086616.db2.gz POGMQQNHOOWFIE-ZBFHGGJFSA-N 0 3 309.406 1.546 20 10 DDCDHN COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000278721226 409086618 /nfs/dbraw/zinc/08/66/18/409086618.db2.gz POGMQQNHOOWFIE-ZBFHGGJFSA-N 0 3 309.406 1.546 20 10 DDCDHN CC[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000280018503 409255344 /nfs/dbraw/zinc/25/53/44/409255344.db2.gz HFBKCAUGZJGFOU-INIZCTEOSA-N 0 3 319.449 1.905 20 10 DDCDHN COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1cc3c(cc1[O-])OCO3)C2 ZINC000374667568 418552910 /nfs/dbraw/zinc/55/29/10/418552910.db2.gz XVBIDLIYQJUKKA-YVEFUNNKSA-N 0 3 319.357 1.896 20 10 DDCDHN COC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1cc3c(cc1[O-])OCO3)C2 ZINC000374667568 418552912 /nfs/dbraw/zinc/55/29/12/418552912.db2.gz XVBIDLIYQJUKKA-YVEFUNNKSA-N 0 3 319.357 1.896 20 10 DDCDHN COC(=O)[C@]12C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]1COCC2 ZINC000376019225 418691189 /nfs/dbraw/zinc/69/11/89/418691189.db2.gz NYRSPAXLSOHSPV-BLLLJJGKSA-N 0 3 309.337 1.543 20 10 DDCDHN COC(=O)[C@]12C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]1COCC2 ZINC000376019225 418691191 /nfs/dbraw/zinc/69/11/91/418691191.db2.gz NYRSPAXLSOHSPV-BLLLJJGKSA-N 0 3 309.337 1.543 20 10 DDCDHN Oc1cc2c(cc1CNCc1cnc3n1CCCC3)OCO2 ZINC000376759991 418700882 /nfs/dbraw/zinc/70/08/82/418700882.db2.gz YIVJHXUJQYUECQ-UHFFFAOYSA-N 0 3 301.346 1.944 20 10 DDCDHN Cc1cc(O)c(CN[C@@H]2CCN(c3ccn(C)n3)C2=O)cc1C ZINC000369673565 418736437 /nfs/dbraw/zinc/73/64/37/418736437.db2.gz ZNAXARICVVRGAS-CQSZACIVSA-N 0 3 314.389 1.638 20 10 DDCDHN CN(C)[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)C1 ZINC000372448076 418871918 /nfs/dbraw/zinc/87/19/18/418871918.db2.gz VQXJAIHQLFXQQB-HNNXBMFYSA-N 0 3 302.422 1.524 20 10 DDCDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCc1ccc(N)cc1 ZINC000372572124 418884786 /nfs/dbraw/zinc/88/47/86/418884786.db2.gz OFKSTOHAEQJICZ-IIDMSEBBSA-N 0 3 317.433 1.460 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000294971964 287863685 /nfs/dbraw/zinc/86/36/85/287863685.db2.gz FTUGYZNABDRLDX-DGCLKSJQSA-N 0 3 300.424 1.761 20 10 DDCDHN C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000179887998 525620922 /nfs/dbraw/zinc/62/09/22/525620922.db2.gz HNQNTSRSGLGSBW-FZMZJTMJSA-N 0 3 300.362 1.582 20 10 DDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(Cn3ccnn3)CC1)OCO2 ZINC000157029787 526335551 /nfs/dbraw/zinc/33/55/51/526335551.db2.gz KYKOTYOVJWRREN-UHFFFAOYSA-N 0 3 316.361 1.625 20 10 DDCDHN Oc1cc2c(cc1CN1CCC(Cn3ccnn3)CC1)OCO2 ZINC000157029787 526335555 /nfs/dbraw/zinc/33/55/55/526335555.db2.gz KYKOTYOVJWRREN-UHFFFAOYSA-N 0 3 316.361 1.625 20 10 DDCDHN CCOc1cccc(CNCCS(=O)(=O)C(C)C)c1O ZINC000290268227 535458671 /nfs/dbraw/zinc/45/86/71/535458671.db2.gz XQCAEBYVPJQBAZ-UHFFFAOYSA-N 0 3 301.408 1.704 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c([O-])c1 ZINC000798957345 700106409 /nfs/dbraw/zinc/10/64/09/700106409.db2.gz AYYKKWAHGKVZFE-OCCSQVGLSA-N 0 3 306.362 1.721 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c([O-])c1 ZINC000798957345 700106412 /nfs/dbraw/zinc/10/64/12/700106412.db2.gz AYYKKWAHGKVZFE-OCCSQVGLSA-N 0 3 306.362 1.721 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN1CCCC1 ZINC000799427110 700141063 /nfs/dbraw/zinc/14/10/63/700141063.db2.gz XOIQHRPFBGQKPK-UHFFFAOYSA-N 0 3 317.433 1.577 20 10 DDCDHN COc1cc(O)c(CN(CC(N)=O)C2CCCC2)cc1OC ZINC000775649918 698019345 /nfs/dbraw/zinc/01/93/45/698019345.db2.gz UVRQEYZZLGECJR-UHFFFAOYSA-N 0 3 308.378 1.639 20 10 DDCDHN CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccc2c(c1)CCO2 ZINC000776519926 698112358 /nfs/dbraw/zinc/11/23/58/698112358.db2.gz FQAPHDAWGXBKFO-KRWDZBQOSA-N 0 3 307.390 1.804 20 10 DDCDHN CC[C@]1(O)CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000778399213 698271300 /nfs/dbraw/zinc/27/13/00/698271300.db2.gz WLUAIOPNAJBCBF-SFHVURJKSA-N 0 3 319.449 1.558 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CNCCO1 ZINC000317098692 698695426 /nfs/dbraw/zinc/69/54/26/698695426.db2.gz KSBXOSWHGRCBEP-INIZCTEOSA-N 0 3 305.422 1.480 20 10 DDCDHN C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000783523743 698847094 /nfs/dbraw/zinc/84/70/94/698847094.db2.gz JONOZIOCYZNRHL-XUJVJEKNSA-N 0 3 314.389 1.970 20 10 DDCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c([O-])c1 ZINC000787424376 699211771 /nfs/dbraw/zinc/21/17/71/699211771.db2.gz RKFFDAGWNBYIPK-PJODQICGSA-N 0 3 304.390 1.877 20 10 DDCDHN CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c([O-])c1 ZINC000787424376 699211773 /nfs/dbraw/zinc/21/17/73/699211773.db2.gz RKFFDAGWNBYIPK-PJODQICGSA-N 0 3 304.390 1.877 20 10 DDCDHN CCOc1ccc(C[NH2+]CCN2CCOC(C)(C)C2)c([O-])c1 ZINC000729682989 699485209 /nfs/dbraw/zinc/48/52/09/699485209.db2.gz MCUSTLXHNDIVLY-UHFFFAOYSA-N 0 3 308.422 1.991 20 10 DDCDHN COc1ccc(O)c(CNC(=S)NC2CCN(C)CC2)c1 ZINC000733906279 699623238 /nfs/dbraw/zinc/62/32/38/699623238.db2.gz ITWNGKRTCGSEEW-UHFFFAOYSA-N 0 3 309.435 1.459 20 10 DDCDHN C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756458382 700622468 /nfs/dbraw/zinc/62/24/68/700622468.db2.gz MKHBLNXAXIRGGV-CMPLNLGQSA-N 0 3 300.349 1.778 20 10 DDCDHN C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756458382 700622471 /nfs/dbraw/zinc/62/24/71/700622471.db2.gz MKHBLNXAXIRGGV-CMPLNLGQSA-N 0 3 300.349 1.778 20 10 DDCDHN C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756601831 700631140 /nfs/dbraw/zinc/63/11/40/700631140.db2.gz BIRZGAVYOKGSEO-LLVKDONJSA-N 0 3 309.366 1.408 20 10 DDCDHN C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756789955 700641185 /nfs/dbraw/zinc/64/11/85/700641185.db2.gz JHFVFPFYTGHHGE-CMPLNLGQSA-N 0 3 308.353 1.528 20 10 DDCDHN CSCC[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)N(C)C ZINC000809783852 701689146 /nfs/dbraw/zinc/68/91/46/701689146.db2.gz FSHWGJPWYXOOLI-LBPRGKRZSA-N 0 3 300.399 1.831 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCS[C@@H]3COCC[C@H]31)[C@H](O)CO2 ZINC000768461339 701179167 /nfs/dbraw/zinc/17/91/67/701179167.db2.gz AXFDSVKVEBAHFO-XNRPHZJLSA-N 0 3 323.414 1.524 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCS[C@@H]3COCC[C@H]31)[C@H](O)CO2 ZINC000768461339 701179170 /nfs/dbraw/zinc/17/91/70/701179170.db2.gz AXFDSVKVEBAHFO-XNRPHZJLSA-N 0 3 323.414 1.524 20 10 DDCDHN Cc1ccc(O)c(CN2CCN(Cc3cnn(C)c3)CC2)c1 ZINC000769308292 701240206 /nfs/dbraw/zinc/24/02/06/701240206.db2.gz OPHVEOVADJBSLW-UHFFFAOYSA-N 0 3 300.406 1.752 20 10 DDCDHN CC[C@@H](NCc1ccc(N(C)C)cc1C)C(=O)N1CCOCC1 ZINC000840935625 702285627 /nfs/dbraw/zinc/28/56/27/702285627.db2.gz WKCFLONVIXBAQI-QGZVFWFLSA-N 0 3 319.449 1.788 20 10 DDCDHN COc1ccc(N(C)CCN(C)CCN2CCOCC2)cc1 ZINC000844400448 703026138 /nfs/dbraw/zinc/02/61/38/703026138.db2.gz BXFNIWNEZZTBLI-UHFFFAOYSA-N 0 3 307.438 1.395 20 10 DDCDHN CC(C)C[C@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868715 704154971 /nfs/dbraw/zinc/15/49/71/704154971.db2.gz LAKFDNMNQPTVQB-KRWDZBQOSA-N 0 3 319.449 1.637 20 10 DDCDHN CCN1CCN(CCC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871202857 704242875 /nfs/dbraw/zinc/24/28/75/704242875.db2.gz NRIYLFQTGJVQAM-UHFFFAOYSA-N 0 3 303.406 1.262 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000855224246 704473898 /nfs/dbraw/zinc/47/38/98/704473898.db2.gz JHPQIUNQOQXAQP-AWEZNQCLSA-N 0 3 317.433 1.874 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@H](O)C2CCOCC2)cc1F ZINC000858142010 704669977 /nfs/dbraw/zinc/66/99/77/704669977.db2.gz VBOJBARLNYOIMD-INIZCTEOSA-N 0 3 314.376 1.908 20 10 DDCDHN NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000858469300 704715468 /nfs/dbraw/zinc/71/54/68/704715468.db2.gz SXDKRFUDTRDXSS-KBPBESRZSA-N 0 3 303.406 1.309 20 10 DDCDHN COc1cc(Cl)cc(CN(C)[C@]2(CO)CCOC2)c1O ZINC000862426240 705716159 /nfs/dbraw/zinc/71/61/59/705716159.db2.gz AROOKZILJFYXFC-AWEZNQCLSA-N 0 3 301.770 1.637 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+](C)[C@]2(CO)CCOC2)c1[O-] ZINC000862426240 705716163 /nfs/dbraw/zinc/71/61/63/705716163.db2.gz AROOKZILJFYXFC-AWEZNQCLSA-N 0 3 301.770 1.637 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@]2(CO)CCOC2)c1[O-] ZINC000862426240 705716167 /nfs/dbraw/zinc/71/61/67/705716167.db2.gz AROOKZILJFYXFC-AWEZNQCLSA-N 0 3 301.770 1.637 20 10 DDCDHN COCCN(CCOC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876526494 705746002 /nfs/dbraw/zinc/74/60/02/705746002.db2.gz WLAPBXNQOBUQBU-UHFFFAOYSA-N 0 3 322.449 1.743 20 10 DDCDHN CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2CNCCO2)cc1 ZINC000826019870 705759296 /nfs/dbraw/zinc/75/92/96/705759296.db2.gz LYSIZDNYUIQHEF-KRWDZBQOSA-N 0 3 319.449 1.870 20 10 DDCDHN CCN(CCC[NH2+]Cc1c(C)cccc1[O-])S(C)(=O)=O ZINC000876956072 705937891 /nfs/dbraw/zinc/93/78/91/705937891.db2.gz GBLRXAQZIQRFMB-UHFFFAOYSA-N 0 3 300.424 1.462 20 10 DDCDHN NC(C(=O)NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000827567192 706027561 /nfs/dbraw/zinc/02/75/61/706027561.db2.gz CBVOVTJPTLUIGR-GFCCVEGCSA-N 0 3 317.311 1.029 20 10 DDCDHN COCC(COC)N1CCN(Cc2c(C)cccc2O)CC1 ZINC000877587617 706151069 /nfs/dbraw/zinc/15/10/69/706151069.db2.gz OOGQSYMDNUJGCH-UHFFFAOYSA-N 0 3 308.422 1.480 20 10 DDCDHN COC(=O)C1=NO[C@@]2(CCN(Cc3cc(C)ccc3O)C2)C1 ZINC000877714873 706186243 /nfs/dbraw/zinc/18/62/43/706186243.db2.gz RJVTZOBWCOZFOB-INIZCTEOSA-N 0 3 304.346 1.594 20 10 DDCDHN CCO[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])CN(C)C ZINC000926960885 712922779 /nfs/dbraw/zinc/92/27/79/712922779.db2.gz NNIGJRNTZUAVKO-JSGCOSHPSA-N 0 3 324.421 1.796 20 10 DDCDHN CC[C@@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000927028345 712933039 /nfs/dbraw/zinc/93/30/39/712933039.db2.gz IMXFRHCBLLONJD-LSDHHAIUSA-N 0 3 314.451 1.199 20 10 DDCDHN CN1CCN(c2ccc(CN[C@@H]3CCn4ccnc43)cc2)CC1 ZINC000883290727 707966430 /nfs/dbraw/zinc/96/64/30/707966430.db2.gz DXTPDCQGTHPKNM-QGZVFWFLSA-N 0 3 311.433 1.870 20 10 DDCDHN CC(C)C1(O)CN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000839133515 708028916 /nfs/dbraw/zinc/02/89/16/708028916.db2.gz QWJOROWTHRGFSQ-UHFFFAOYSA-N 0 3 303.450 1.641 20 10 DDCDHN CCOc1ccc(C[NH2+]CCCn2ccc(=O)[nH]c2=O)c([O-])c1 ZINC000898332574 708612223 /nfs/dbraw/zinc/61/22/23/708612223.db2.gz LBAVHMXZWAPMDT-UHFFFAOYSA-N 0 3 319.361 1.233 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H]2CO)N(C)C)cc1 ZINC000899095784 708981821 /nfs/dbraw/zinc/98/18/21/708981821.db2.gz MKKJLKVDRZMBIO-CVEARBPZSA-N 0 3 320.437 1.132 20 10 DDCDHN COCCNC(=S)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899724381 709174712 /nfs/dbraw/zinc/17/47/12/709174712.db2.gz MYEHJRJJHWTBDF-OAHLLOKOSA-N 0 3 324.494 1.466 20 10 DDCDHN COC/C=C\C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246451 710140440 /nfs/dbraw/zinc/14/04/40/710140440.db2.gz NWQXVWSCSXMSIY-MWWKQMNYSA-N 0 3 305.422 1.674 20 10 DDCDHN COc1ccc(CN[C@@H]2CCN(C(C)C)C2=O)c(O)c1OC ZINC000892976978 710535402 /nfs/dbraw/zinc/53/54/02/710535402.db2.gz LIGXZYIQOFPXKL-GFCCVEGCSA-N 0 3 308.378 1.508 20 10 DDCDHN COc1cc(C)cc(CNCCS(=O)(=O)NC(C)C)c1O ZINC000894242027 711031145 /nfs/dbraw/zinc/03/11/45/711031145.db2.gz QTLZRSOZBHKMSO-UHFFFAOYSA-N 0 3 316.423 1.127 20 10 DDCDHN COc1cc(C)cc(CNCCS(=O)(=O)C(C)C)c1O ZINC000894788274 711272268 /nfs/dbraw/zinc/27/22/68/711272268.db2.gz XYVLINNWNQCOJR-UHFFFAOYSA-N 0 3 301.408 1.622 20 10 DDCDHN COc1cc(C)cc(CN2C[C@H](C)N(CCO)C[C@H]2C)c1O ZINC000895024793 711374326 /nfs/dbraw/zinc/37/43/26/711374326.db2.gz NGPHUYQKMGJLRR-UONOGXRCSA-N 0 3 308.422 1.596 20 10 DDCDHN COc1cc(Cl)cc(CN2C[C@@H](O)C[C@@]2(C)CO)c1O ZINC000895329909 711486096 /nfs/dbraw/zinc/48/60/96/711486096.db2.gz KWDFRHIDAZHZNL-FZMZJTMJSA-N 0 3 301.770 1.372 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000895722627 711588226 /nfs/dbraw/zinc/58/82/26/711588226.db2.gz YBFNBNYFGYLTBP-CYBMUJFWSA-N 0 3 307.390 1.764 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000895722627 711588227 /nfs/dbraw/zinc/58/82/27/711588227.db2.gz YBFNBNYFGYLTBP-CYBMUJFWSA-N 0 3 307.390 1.764 20 10 DDCDHN CN(C)c1ccc(CN[C@@H]2C(=O)NCC23CCOCC3)cc1F ZINC000895772309 711602664 /nfs/dbraw/zinc/60/26/64/711602664.db2.gz CYYVKGSMVXUOEL-OAHLLOKOSA-N 0 3 321.396 1.277 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000914150647 713348910 /nfs/dbraw/zinc/34/89/10/713348910.db2.gz PZKBSFUTNZAUPA-NEPJUHHUSA-N 0 3 307.369 1.957 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000914150647 713348911 /nfs/dbraw/zinc/34/89/11/713348911.db2.gz PZKBSFUTNZAUPA-NEPJUHHUSA-N 0 3 307.369 1.957 20 10 DDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C1(O)CCOCC1 ZINC000929753424 713682687 /nfs/dbraw/zinc/68/26/87/713682687.db2.gz PWWOLVQYMIAHTR-MRXNPFEDSA-N 0 3 309.406 1.507 20 10 DDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)C1(O)CCOCC1 ZINC000929753424 713682689 /nfs/dbraw/zinc/68/26/89/713682689.db2.gz PWWOLVQYMIAHTR-MRXNPFEDSA-N 0 3 309.406 1.507 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922622476 714103297 /nfs/dbraw/zinc/10/32/97/714103297.db2.gz BMJXJIMSWBPMNP-UHFFFAOYSA-N 0 3 323.389 1.539 20 10 DDCDHN C[C@@H]([NH2+]C[C@@H]1CN=C(c2cnn(C)c2)O1)c1ccccc1[O-] ZINC000931554470 714126751 /nfs/dbraw/zinc/12/67/51/714126751.db2.gz QEFPNGRFJBFAAE-DGCLKSJQSA-N 0 3 300.362 1.622 20 10 DDCDHN Cc1ccnc(N2CCN(Cc3c(O)cc(O)cc3O)CC2)n1 ZINC001144516244 772558899 /nfs/dbraw/zinc/55/88/99/772558899.db2.gz VBUMBUHUKRGWCV-UHFFFAOYSA-N 0 3 316.361 1.224 20 10 DDCDHN COCCC[NH+]1CCC(NC(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148589864 773541316 /nfs/dbraw/zinc/54/13/16/773541316.db2.gz NYHWNDRYXNDRBT-UHFFFAOYSA-N 0 3 324.377 1.034 20 10 DDCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)c1[O-] ZINC001274100280 851925604 /nfs/dbraw/zinc/92/56/04/851925604.db2.gz ZOOKKSDGKYWYNT-KRWDZBQOSA-N 0 3 320.364 1.811 20 10 DDCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)c1[O-] ZINC001274100280 851925608 /nfs/dbraw/zinc/92/56/08/851925608.db2.gz ZOOKKSDGKYWYNT-KRWDZBQOSA-N 0 3 320.364 1.811 20 10 DDCDHN COCCOCN1CCC2(C[NH+](Cc3ccccc3[O-])C2)C1 ZINC001275267459 852940823 /nfs/dbraw/zinc/94/08/23/852940823.db2.gz OTZGOCDZHFREAY-UHFFFAOYSA-N 0 3 306.406 1.520 20 10 DDCDHN CN1CCN(c2ccc(CN3C[C@H]4CC[C@@H]3CO4)cc2)CC1 ZINC001139411327 860390305 /nfs/dbraw/zinc/39/03/05/860390305.db2.gz GKSMIENBKGSYNI-QZTJIDSGSA-N 0 3 301.434 1.802 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])CC[C@@H]21 ZINC001140063277 860567184 /nfs/dbraw/zinc/56/71/84/860567184.db2.gz PUBBNBAXTZUGIE-DOTOQJQBSA-N 0 3 322.380 1.743 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])CC[C@@H]21 ZINC001140063277 860567193 /nfs/dbraw/zinc/56/71/93/860567193.db2.gz PUBBNBAXTZUGIE-DOTOQJQBSA-N 0 3 322.380 1.743 20 10 DDCDHN COCCCCN1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140750256 860691254 /nfs/dbraw/zinc/69/12/54/860691254.db2.gz ZDUVICYTRQFCEO-UHFFFAOYSA-N 0 3 308.422 1.950 20 10 DDCDHN COC(=O)CO[C@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141146263 860795128 /nfs/dbraw/zinc/79/51/28/860795128.db2.gz QDVWPUQCIVKGQA-AWEZNQCLSA-N 0 3 320.389 1.279 20 10 DDCDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc(N(C)C)c(F)c1 ZINC001326199427 861184392 /nfs/dbraw/zinc/18/43/92/861184392.db2.gz JMVANROHTYJMPG-HNNXBMFYSA-N 0 3 309.385 1.229 20 10 DDCDHN CCOC(=O)[C@@H]1CNCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC001326198407 861184693 /nfs/dbraw/zinc/18/46/93/861184693.db2.gz CSHLJRYUHZFUPK-RTRPANQVSA-N 0 3 317.433 1.603 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@]2(CCO)CCOC2)cc1F ZINC001328690583 863152342 /nfs/dbraw/zinc/15/23/42/863152342.db2.gz WKLOHAURYDSIGU-INIZCTEOSA-N 0 3 314.376 1.910 20 10 DDCDHN CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc(N)cc2)C1 ZINC001336118010 868742655 /nfs/dbraw/zinc/74/26/55/868742655.db2.gz UZMLJKRDQOBGGA-ZDUSSCGKSA-N 0 3 301.312 1.769 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC[C@](C)(O)C3)cc2F)CC1 ZINC001337042023 869287451 /nfs/dbraw/zinc/28/74/51/869287451.db2.gz GASBBKCUBYKTTB-SFHVURJKSA-N 0 3 321.440 1.924 20 10 DDCDHN COC(=O)[C@H]1C[C@H](C(=O)OC)C[NH+](Cc2ccccc2[O-])C1 ZINC001203556094 870639622 /nfs/dbraw/zinc/63/96/22/870639622.db2.gz KDJCSIFPGFHVBL-STQMWFEESA-N 0 3 307.346 1.176 20 10 DDCDHN COc1ccc(C[NH+]2CCC(N3CCOCC3=O)CC2)c([O-])c1 ZINC001203634468 870686849 /nfs/dbraw/zinc/68/68/49/870686849.db2.gz HMYADQBWEHVDPQ-UHFFFAOYSA-N 0 3 320.389 1.224 20 10 DDCDHN CC(=O)N1CCO[C@H]2CCN(Cc3ccc(O)c(O)c3)CC[C@@H]21 ZINC001203879034 870816500 /nfs/dbraw/zinc/81/65/00/870816500.db2.gz ZGKQCFKCBVCALS-YOEHRIQHSA-N 0 3 320.389 1.310 20 10 DDCDHN [O-]c1c(Cl)cc(F)cc1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222105204 880259745 /nfs/dbraw/zinc/25/97/45/880259745.db2.gz VXJSDSUFVRVNSM-UHFFFAOYSA-N 0 3 313.804 1.712 20 10 DDCDHN O=C1COC[C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CCN12 ZINC001231591122 885752853 /nfs/dbraw/zinc/75/28/53/885752853.db2.gz UQXIGWGVDZQHBY-CQSZACIVSA-N 0 3 312.369 1.588 20 10 DDCDHN O=C1COC[C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CCN12 ZINC001231591122 885752873 /nfs/dbraw/zinc/75/28/73/885752873.db2.gz UQXIGWGVDZQHBY-CQSZACIVSA-N 0 3 312.369 1.588 20 10 DDCDHN O=C1COC[C@H]2CN(Cc3c(O)ccc4ccccc43)CCN12 ZINC001231591122 885752883 /nfs/dbraw/zinc/75/28/83/885752883.db2.gz UQXIGWGVDZQHBY-CQSZACIVSA-N 0 3 312.369 1.588 20 10 DDCDHN COC(=O)c1c(CN2C[C@H](C)[C@H](O)C2)c2ccccc2n1C ZINC001232403395 886338332 /nfs/dbraw/zinc/33/83/32/886338332.db2.gz XIYQUHVTFBNOHO-XHDPSFHLSA-N 0 3 302.374 1.778 20 10 DDCDHN NC(=O)NC1CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237948236 889951982 /nfs/dbraw/zinc/95/19/82/889951982.db2.gz ZZXGCSVSCZREIW-UHFFFAOYSA-N 0 3 301.749 1.817 20 10 DDCDHN [O-]c1cc(O)ccc1C[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC001250827265 894445717 /nfs/dbraw/zinc/44/57/17/894445717.db2.gz PFSGBOKKZRFYLJ-CQSZACIVSA-N 0 3 307.321 1.766 20 10 DDCDHN COCCOCCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000079396276 185168795 /nfs/dbraw/zinc/16/87/95/185168795.db2.gz JXEIRSQPEWMDSV-UHFFFAOYSA-N 0 3 308.422 1.618 20 10 DDCDHN COc1c([O-])c(C[NH2+]CC2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000278501716 539280795 /nfs/dbraw/zinc/28/07/95/539280795.db2.gz NWCWIVKAJGDLTA-UHFFFAOYSA-N 0 3 307.350 1.661 20 10 DDCDHN CN(C)c1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1F ZINC000367460654 282289902 /nfs/dbraw/zinc/28/99/02/282289902.db2.gz GOQWMIGAHZORFO-QZTJIDSGSA-N 0 3 321.440 1.923 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@@H]1C)cc2=O ZINC000047274650 352488680 /nfs/dbraw/zinc/48/86/80/352488680.db2.gz YRKXCPYOXZXCSL-NSHDSACASA-N 0 3 318.377 1.986 20 10 DDCDHN C[C@H](CO)[C@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000273949642 130190735 /nfs/dbraw/zinc/19/07/35/130190735.db2.gz FHWPXLFPKDQAJI-KGLIPLIRSA-N 0 3 307.438 1.318 20 10 DDCDHN COC(=O)c1cn(CC[NH2+][C@@H](C)c2cc(OC)ccc2[O-])nn1 ZINC000284181265 131057208 /nfs/dbraw/zinc/05/72/08/131057208.db2.gz ANOCLIJNYCMTIZ-JTQLQIEISA-N 0 3 320.349 1.130 20 10 DDCDHN CC[NH+](CC)CCN(CCOC)C(=O)c1cccc(O)c1[O-] ZINC000193131385 408699272 /nfs/dbraw/zinc/69/92/72/408699272.db2.gz KGJGQZJDNLHGFD-UHFFFAOYSA-N 0 3 310.394 1.528 20 10 DDCDHN COc1ccc(N2CCCN(C(=O)[C@H]3CCCCN3)CC2)cc1 ZINC000165749875 408813519 /nfs/dbraw/zinc/81/35/19/408813519.db2.gz VZQYHFJNKUXZTJ-QGZVFWFLSA-N 0 3 317.433 1.876 20 10 DDCDHN CCOc1cccc(CNCc2cnn(CCOC)c2)c1O ZINC000281925927 408955285 /nfs/dbraw/zinc/95/52/85/408955285.db2.gz GZXYQZDGEIVCDO-UHFFFAOYSA-N 0 3 305.378 1.924 20 10 DDCDHN Cc1cccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1[O-] ZINC000278569084 409085157 /nfs/dbraw/zinc/08/51/57/409085157.db2.gz BTTHUNVIKWEULF-HOTGVXAUSA-N 0 3 301.390 1.642 20 10 DDCDHN Cc1cccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1[O-] ZINC000278569084 409085159 /nfs/dbraw/zinc/08/51/59/409085159.db2.gz BTTHUNVIKWEULF-HOTGVXAUSA-N 0 3 301.390 1.642 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@H]2CCC(=O)NC23CCC3)cc1OC ZINC000283147942 409098230 /nfs/dbraw/zinc/09/82/30/409098230.db2.gz XHZLISRUFDMOAA-HNNXBMFYSA-N 0 3 320.389 1.700 20 10 DDCDHN CC[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(C)cc1[O-] ZINC000289756722 409285902 /nfs/dbraw/zinc/28/59/02/409285902.db2.gz LLFKZYYABJULLU-HNNXBMFYSA-N 0 3 304.394 1.915 20 10 DDCDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN1C1CC1 ZINC000280360614 409299588 /nfs/dbraw/zinc/29/95/88/409299588.db2.gz VJAMKNDOWYFGHJ-SMDDNHRTSA-N 0 3 304.390 1.772 20 10 DDCDHN CN(C)c1ccc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)cc1F ZINC000295079978 409314804 /nfs/dbraw/zinc/31/48/04/409314804.db2.gz IDUBJIABJOQKIM-SJORKVTESA-N 0 3 307.413 1.797 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](O)Cc1cccc(F)c1)OCO2 ZINC000295195676 409367511 /nfs/dbraw/zinc/36/75/11/409367511.db2.gz XWAOYQZEOWIYHC-CQSZACIVSA-N 0 3 319.332 1.953 20 10 DDCDHN Cc1nc(CN2CCC[C@H]([NH2+]Cc3ccccc3[O-])C2)no1 ZINC000363143354 418763271 /nfs/dbraw/zinc/76/32/71/418763271.db2.gz ZSWVYBCDOKMBGO-AWEZNQCLSA-N 0 3 302.378 1.838 20 10 DDCDHN Cc1cccc(CN2CCCN(CC(=O)N(C)C)CC2)c1O ZINC000378435690 418722544 /nfs/dbraw/zinc/72/25/44/418722544.db2.gz ACWIFYMXKUQKGY-UHFFFAOYSA-N 0 3 305.422 1.297 20 10 DDCDHN Cc1cccc(C[N@H+]2CCCN(CC(=O)N(C)C)CC2)c1[O-] ZINC000378435690 418722546 /nfs/dbraw/zinc/72/25/46/418722546.db2.gz ACWIFYMXKUQKGY-UHFFFAOYSA-N 0 3 305.422 1.297 20 10 DDCDHN Cc1cccc(C[N@@H+]2CCCN(CC(=O)N(C)C)CC2)c1[O-] ZINC000378435690 418722547 /nfs/dbraw/zinc/72/25/47/418722547.db2.gz ACWIFYMXKUQKGY-UHFFFAOYSA-N 0 3 305.422 1.297 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000372598503 288166808 /nfs/dbraw/zinc/16/68/08/288166808.db2.gz DBFNVJRESZUCQY-CQSZACIVSA-N 0 3 312.435 1.857 20 10 DDCDHN COc1cc([O-])c(C[N@H+](CCO)C2CCOCC2)cc1OC ZINC000275706360 295004155 /nfs/dbraw/zinc/00/41/55/295004155.db2.gz CBBRMJDRQXTTRJ-UHFFFAOYSA-N 0 3 311.378 1.383 20 10 DDCDHN COc1cc([O-])c(C[N@@H+](CCO)C2CCOCC2)cc1OC ZINC000275706360 295004157 /nfs/dbraw/zinc/00/41/57/295004157.db2.gz CBBRMJDRQXTTRJ-UHFFFAOYSA-N 0 3 311.378 1.383 20 10 DDCDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1cc2c(cc1O)OCO2 ZINC000188846260 524935429 /nfs/dbraw/zinc/93/54/29/524935429.db2.gz YVVLAQSBVZJJSQ-GFCCVEGCSA-N 0 3 322.405 1.398 20 10 DDCDHN COc1cccc(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c1O ZINC000737132899 598465636 /nfs/dbraw/zinc/46/56/36/598465636.db2.gz USGIEGHQZLHFJV-UHFFFAOYSA-N 0 3 311.345 1.871 20 10 DDCDHN CC[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000036828292 696131234 /nfs/dbraw/zinc/13/12/34/696131234.db2.gz KMTOCYBHNFUFHP-CQSZACIVSA-N 0 3 312.435 1.857 20 10 DDCDHN CSCC[C@@H](N)C(=O)NCCCSc1nccs1 ZINC000160060359 697314643 /nfs/dbraw/zinc/31/46/43/697314643.db2.gz XFRKPPHBTPTMCV-SECBINFHSA-N 0 3 305.494 1.822 20 10 DDCDHN CC(C)[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(C)C ZINC000106460157 696627251 /nfs/dbraw/zinc/62/72/51/696627251.db2.gz QJXAJGCLKFHPCL-KRWDZBQOSA-N 0 3 319.449 1.726 20 10 DDCDHN OCC[C@@]1(NCc2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000775029649 697956048 /nfs/dbraw/zinc/95/60/48/697956048.db2.gz PZWYUWVBHGYTJJ-QGZVFWFLSA-N 0 3 324.396 1.293 20 10 DDCDHN CCOC(=O)CN(C)C(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000775370484 697989435 /nfs/dbraw/zinc/98/94/35/697989435.db2.gz NSTKYXXDZYNSMN-LLVKDONJSA-N 0 3 324.377 1.073 20 10 DDCDHN C[C@H](NCC(=O)N1CCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000775835608 698043005 /nfs/dbraw/zinc/04/30/05/698043005.db2.gz VJZXOCKNYZGOTB-KBPBESRZSA-N 0 3 305.422 1.651 20 10 DDCDHN CCOc1ccc(C[NH2+]Cc2cnn(CCOC)c2)c([O-])c1 ZINC000800287560 700212832 /nfs/dbraw/zinc/21/28/32/700212832.db2.gz LYTQQBLNKCEJRI-UHFFFAOYSA-N 0 3 305.378 1.924 20 10 DDCDHN COCCO[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000800849752 700248690 /nfs/dbraw/zinc/24/86/90/700248690.db2.gz FGPGVWBTBWXVBU-BBRMVZONSA-N 0 3 323.389 1.445 20 10 DDCDHN COCCO[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000800849752 700248694 /nfs/dbraw/zinc/24/86/94/700248694.db2.gz FGPGVWBTBWXVBU-BBRMVZONSA-N 0 3 323.389 1.445 20 10 DDCDHN CCN1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CC1=O ZINC000391576147 699099190 /nfs/dbraw/zinc/09/91/90/699099190.db2.gz YIIKWSSPVIAUBE-HNNXBMFYSA-N 0 3 303.406 1.234 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]CCC2CS(=O)(=O)C2)c1[O-] ZINC000787417673 699211003 /nfs/dbraw/zinc/21/10/03/699211003.db2.gz MQVKSGPPDLRVJS-UHFFFAOYSA-N 0 3 319.810 1.579 20 10 DDCDHN CNC(=O)COc1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000725846812 699335977 /nfs/dbraw/zinc/33/59/77/699335977.db2.gz OUBIRZBRZVIVDW-UHFFFAOYSA-N 0 3 300.358 1.807 20 10 DDCDHN CCOc1ccc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c([O-])c1 ZINC000789762890 699406661 /nfs/dbraw/zinc/40/66/61/699406661.db2.gz AFKSCBBYMLFCJQ-AWEZNQCLSA-N 0 3 308.422 1.943 20 10 DDCDHN CCOc1ccc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c([O-])c1 ZINC000789762890 699406662 /nfs/dbraw/zinc/40/66/62/699406662.db2.gz AFKSCBBYMLFCJQ-AWEZNQCLSA-N 0 3 308.422 1.943 20 10 DDCDHN COc1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)c(O)c1 ZINC000792983933 699726534 /nfs/dbraw/zinc/72/65/34/699726534.db2.gz FZCQSSKANRKDIM-LBPRGKRZSA-N 0 3 305.378 1.437 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000802654365 700415542 /nfs/dbraw/zinc/41/55/42/700415542.db2.gz HXJFKIUWIGXGKL-OAHLLOKOSA-N 0 3 320.433 1.945 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000802654365 700415545 /nfs/dbraw/zinc/41/55/45/700415545.db2.gz HXJFKIUWIGXGKL-OAHLLOKOSA-N 0 3 320.433 1.945 20 10 DDCDHN CCCN(Cc1cc(C)c(C)cc1O)[C@@H]1CC(=O)N(C)C1=O ZINC000802655730 700415932 /nfs/dbraw/zinc/41/59/32/700415932.db2.gz AYYHJVNTBJSDRN-CQSZACIVSA-N 0 3 304.390 1.978 20 10 DDCDHN C[C@H]1CN(C(=O)C2=CC(=O)CS2)CC[C@H]1N1CCN(C)CC1 ZINC000765419770 701011075 /nfs/dbraw/zinc/01/10/75/701011075.db2.gz DGRAUJGTDMUNAK-GXTWGEPZSA-N 0 3 323.462 1.552 20 10 DDCDHN COc1cc(C)cc(CN2CCC[C@@H](NC(=O)N(C)C)C2)c1O ZINC000840144960 701994993 /nfs/dbraw/zinc/99/49/93/701994993.db2.gz BHZCUFYKDDPMHW-CQSZACIVSA-N 0 3 321.421 1.945 20 10 DDCDHN COCCNC(=O)C1(N[C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000840822734 702249623 /nfs/dbraw/zinc/24/96/23/702249623.db2.gz PZTXAUFRDYYRNJ-ZDUSSCGKSA-N 0 3 306.406 1.955 20 10 DDCDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841124934 702357344 /nfs/dbraw/zinc/35/73/44/702357344.db2.gz WTQCQJXBPJLIIX-CQSZACIVSA-N 0 3 318.421 1.444 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+](C[C@H](O)CO)C(C)C)c1[O-] ZINC000817417728 702375000 /nfs/dbraw/zinc/37/50/00/702375000.db2.gz OIGIWWAGYXJOQA-LBPRGKRZSA-N 0 3 303.786 1.618 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+](C[C@H](O)CO)C(C)C)c1[O-] ZINC000817417728 702375006 /nfs/dbraw/zinc/37/50/06/702375006.db2.gz OIGIWWAGYXJOQA-LBPRGKRZSA-N 0 3 303.786 1.618 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)NC[C@H]2CNCCO2)cc1 ZINC000841717984 702548850 /nfs/dbraw/zinc/54/88/50/702548850.db2.gz OYYAOEQLHKVBOM-MRXNPFEDSA-N 0 3 320.437 1.320 20 10 DDCDHN COc1cc(O)c(CN2C[C@H](C)N(CCO)C[C@@H]2C)cc1OC ZINC000841890514 702607660 /nfs/dbraw/zinc/60/76/60/702607660.db2.gz BYZCFRLESXVPSS-STQMWFEESA-N 0 3 324.421 1.296 20 10 DDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000866441364 706700221 /nfs/dbraw/zinc/70/02/21/706700221.db2.gz ZXXUCBDEVUUZSY-VWYCJHECSA-N 0 3 324.377 1.118 20 10 DDCDHN CC1(OCC(=O)NCCCSc2nccs2)CNC1 ZINC000843439954 702882678 /nfs/dbraw/zinc/88/26/78/702882678.db2.gz UFWRJFHCLWZUJQ-UHFFFAOYSA-N 0 3 301.437 1.120 20 10 DDCDHN N[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1F ZINC000853248285 704224588 /nfs/dbraw/zinc/22/45/88/704224588.db2.gz QVKFMAYKLRGPMV-UKRRQHHQSA-N 0 3 311.376 1.533 20 10 DDCDHN C[C@@H](Nc1nc(N)nc(N)n1)c1ccc(N2CCOCC2)cc1 ZINC000858365128 704700424 /nfs/dbraw/zinc/70/04/24/704700424.db2.gz LCQAXOVCENLIMQ-SNVBAGLBSA-N 0 3 315.381 1.046 20 10 DDCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1[O-] ZINC000858489213 704717511 /nfs/dbraw/zinc/71/75/11/704717511.db2.gz WMNMVPARMOWPEH-OLZOCXBDSA-N 0 3 324.388 1.759 20 10 DDCDHN COCCO[C@H]1CCN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000893873083 710868742 /nfs/dbraw/zinc/86/87/42/710868742.db2.gz DLBWNMLMFSFORE-ZDUSSCGKSA-N 0 3 311.378 1.647 20 10 DDCDHN CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C(=O)NC ZINC000825316235 705644145 /nfs/dbraw/zinc/64/41/45/705644145.db2.gz MGRMCUVIIHTQIS-AWEZNQCLSA-N 0 3 309.385 1.277 20 10 DDCDHN C[C@@H]1CN(CCO)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000825336967 705649325 /nfs/dbraw/zinc/64/93/25/705649325.db2.gz BIKRYACCDUWXLQ-MRXNPFEDSA-N 0 3 319.449 1.022 20 10 DDCDHN CCOc1cccc(CN2CC[C@@](OC)(C(=O)OC)C2)c1O ZINC000862473617 705720820 /nfs/dbraw/zinc/72/08/20/705720820.db2.gz BVLJQBRCWPSODF-INIZCTEOSA-N 0 3 309.362 1.555 20 10 DDCDHN CCN1CCN([C@H](C)C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876931393 705929256 /nfs/dbraw/zinc/92/92/56/705929256.db2.gz NNDYEKKUSHTIPY-GFCCVEGCSA-N 0 3 313.392 1.786 20 10 DDCDHN COCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(C)cc1[O-])CC2 ZINC000877095996 705981403 /nfs/dbraw/zinc/98/14/03/705981403.db2.gz VUMKRCAXNTUJFY-CYBMUJFWSA-N 0 3 302.378 1.543 20 10 DDCDHN CN1CCN(C2CCN(C(=O)C3=CC(=O)CS3)CC2)CC1 ZINC000827435684 706000813 /nfs/dbraw/zinc/00/08/13/706000813.db2.gz RZPGBWGCIZVTIR-UHFFFAOYSA-N 0 3 309.435 1.306 20 10 DDCDHN CC(C)(O)C1CN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877581354 706148740 /nfs/dbraw/zinc/14/87/40/706148740.db2.gz YMEVQJJJLIRYCD-UHFFFAOYSA-N 0 3 304.434 1.850 20 10 DDCDHN COc1cc(O)c(CN[C@H](C)[C@@H](O)C(F)(F)F)cc1OC ZINC000877693248 706180546 /nfs/dbraw/zinc/18/05/46/706180546.db2.gz DGXCXNZGMLCBSM-JMCQJSRRSA-N 0 3 309.284 1.811 20 10 DDCDHN COCC(COC)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000834893124 707146683 /nfs/dbraw/zinc/14/66/83/707146683.db2.gz TVLYHFFOSVBWIC-AWEZNQCLSA-N 0 3 308.422 1.835 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]([C@@H]3CCCO3)C1)[C@H](O)CO2 ZINC000884481585 708313037 /nfs/dbraw/zinc/31/30/37/708313037.db2.gz NBRJFWJWAHFCCG-XZJROXQQSA-N 0 3 305.374 1.819 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]([C@@H]3CCCO3)C1)[C@H](O)CO2 ZINC000884481585 708313040 /nfs/dbraw/zinc/31/30/40/708313040.db2.gz NBRJFWJWAHFCCG-XZJROXQQSA-N 0 3 305.374 1.819 20 10 DDCDHN CCOC(=O)N1C[C@@H](CO)[C@H](NCc2ccc(OC)c(C)c2)C1 ZINC000898359144 708621539 /nfs/dbraw/zinc/62/15/39/708621539.db2.gz LXKDBGJDPDKRSI-LSDHHAIUSA-N 0 3 322.405 1.542 20 10 DDCDHN CN(C)c1ccc([C@@H](CNCc2cnn(C)n2)N(C)C)cc1 ZINC000898451300 708644814 /nfs/dbraw/zinc/64/48/14/708644814.db2.gz XBTZZFNAKNWYIE-MRXNPFEDSA-N 0 3 302.426 1.274 20 10 DDCDHN C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1c([O-])cccc1F ZINC000886524907 708773198 /nfs/dbraw/zinc/77/31/98/708773198.db2.gz TXYYIIWEINGXMN-QWHCGFSZSA-N 0 3 323.412 1.769 20 10 DDCDHN C[C@H](O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100533 708983197 /nfs/dbraw/zinc/98/31/97/708983197.db2.gz AEUAUVAUFVTPMZ-SWLSCSKDSA-N 0 3 308.426 1.035 20 10 DDCDHN C[C@@H]1CO[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891243087 710139476 /nfs/dbraw/zinc/13/94/76/710139476.db2.gz GVOVRBSOHKSDNE-XKQJLSEDSA-N 0 3 319.449 1.897 20 10 DDCDHN COC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000891245308 710139858 /nfs/dbraw/zinc/13/98/58/710139858.db2.gz CJUOVOYHSFVMAQ-OAHLLOKOSA-N 0 3 305.422 1.651 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCOC2)N(C)C)cc1 ZINC000893814834 710840403 /nfs/dbraw/zinc/84/04/03/710840403.db2.gz XWSYKKOYDKYZDY-GDBMZVCRSA-N 0 3 320.437 1.443 20 10 DDCDHN COc1cc(C(=O)Nc2cnccc2N(C)C)cc(O)c1O ZINC001193082037 745970986 /nfs/dbraw/zinc/97/09/86/745970986.db2.gz QEUYADUNMNCEAG-UHFFFAOYSA-N 0 3 303.318 1.820 20 10 DDCDHN C[C@@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCN(CCO)C1 ZINC001046862801 767992596 /nfs/dbraw/zinc/99/25/96/767992596.db2.gz QMOLMBOZOGIPLP-OAHLLOKOSA-N 0 3 319.365 1.036 20 10 DDCDHN Cc1nc(NCc2ccc(O)c(O)c2)cc(N2CCOCC2)n1 ZINC001169993781 763593623 /nfs/dbraw/zinc/59/36/23/763593623.db2.gz RYWZXXBCJBVOGN-UHFFFAOYSA-N 0 3 316.361 1.645 20 10 DDCDHN CCN(C)c1ccc(CN2CCCN(CC(=O)NC)CC2)cc1 ZINC001176304906 778123295 /nfs/dbraw/zinc/12/32/95/778123295.db2.gz TZLKMEJTFSDNOD-UHFFFAOYSA-N 0 3 318.465 1.396 20 10 DDCDHN CN1CC2(CCC1=O)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001272988381 847749793 /nfs/dbraw/zinc/74/97/93/847749793.db2.gz QMOADSMHYHWCKI-UHFFFAOYSA-N 0 3 304.390 1.932 20 10 DDCDHN CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N(Cc1cc(O)ccc1O)C2 ZINC001275424965 853103020 /nfs/dbraw/zinc/10/30/20/853103020.db2.gz IGUHQDGMVYOWPR-JSGCOSHPSA-N 0 3 319.405 1.722 20 10 DDCDHN COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001275952512 854007417 /nfs/dbraw/zinc/00/74/17/854007417.db2.gz GLZPUCZIIBKOJP-HIFRSBDPSA-N 0 3 322.405 1.224 20 10 DDCDHN COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001275952512 854007425 /nfs/dbraw/zinc/00/74/25/854007425.db2.gz GLZPUCZIIBKOJP-HIFRSBDPSA-N 0 3 322.405 1.224 20 10 DDCDHN CN1CCC2(CN(Cc3ccc(N4CCOCC4)cc3)C2)C1=O ZINC001138500978 860121073 /nfs/dbraw/zinc/12/10/73/860121073.db2.gz IONYARKUWCYKOF-UHFFFAOYSA-N 0 3 315.417 1.187 20 10 DDCDHN CCN1CCN(c2ccc(CN3CC[C@H]3C(=O)OC)cc2)CC1 ZINC001140301935 860615086 /nfs/dbraw/zinc/61/50/86/860615086.db2.gz DRPWPGJGSHXREB-KRWDZBQOSA-N 0 3 317.433 1.576 20 10 DDCDHN CCN(CC)c1ccc(CN2CCN(C3COC3)CC2)c(O)c1 ZINC001140850456 860712461 /nfs/dbraw/zinc/71/24/61/860712461.db2.gz LSBSLHLBXSHLLF-UHFFFAOYSA-N 0 3 319.449 1.755 20 10 DDCDHN COc1cc(O)c(CN(C)CCc2noc(C)n2)c(OC)c1 ZINC001141026378 860765066 /nfs/dbraw/zinc/76/50/66/860765066.db2.gz OBSZSEKVGWEXMZ-UHFFFAOYSA-N 0 3 307.350 1.775 20 10 DDCDHN CN1CCOc2cc(CN3CCC[C@@H](n4ccnn4)C3)ccc21 ZINC001141146458 860795513 /nfs/dbraw/zinc/79/55/13/860795513.db2.gz WBMFCZUDVCKAHE-OAHLLOKOSA-N 0 3 313.405 1.944 20 10 DDCDHN Nc1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC001335737500 868506691 /nfs/dbraw/zinc/50/66/91/868506691.db2.gz QLFMKAOZCWDNNM-CVEARBPZSA-N 0 3 318.421 1.009 20 10 DDCDHN COC(=O)CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001337669069 869587972 /nfs/dbraw/zinc/58/79/72/869587972.db2.gz IGCYBBCWFDOGDS-HNNXBMFYSA-N 0 3 321.421 1.425 20 10 DDCDHN O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277191457 882921769 /nfs/dbraw/zinc/92/17/69/882921769.db2.gz DDAHSMYOFDOAJX-BDJLRTHQSA-N 0 3 314.345 1.282 20 10 DDCDHN O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001277191457 882921778 /nfs/dbraw/zinc/92/17/78/882921778.db2.gz DDAHSMYOFDOAJX-BDJLRTHQSA-N 0 3 314.345 1.282 20 10 DDCDHN CN1CCN(c2ccc(CN3CCNCC(F)(F)C3)cc2)CC1 ZINC001211340885 875760358 /nfs/dbraw/zinc/76/03/58/875760358.db2.gz DFJPAJINJBVJSG-UHFFFAOYSA-N 0 3 324.419 1.479 20 10 DDCDHN C[C@H]1[NH2+]C[C@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001218386458 877470365 /nfs/dbraw/zinc/47/03/65/877470365.db2.gz NBANOKOKULOWLN-YMTOWFKASA-N 0 3 309.321 1.907 20 10 DDCDHN Cc1cc(CN2CC3(C2)CCOC[C@H]3C(N)=O)ccc1N(C)C ZINC001276929160 881136435 /nfs/dbraw/zinc/13/64/35/881136435.db2.gz MWYVUQDQQLWJKI-HNNXBMFYSA-N 0 3 317.433 1.385 20 10 DDCDHN COc1ccc(C[N@@H+]2C[C@H]3CCCO[C@H]3[C@@H](C(N)=O)C2)c([O-])c1 ZINC001277454606 884452462 /nfs/dbraw/zinc/45/24/62/884452462.db2.gz WQSHRGVMXKOROH-IVMMDQJWSA-N 0 3 320.389 1.113 20 10 DDCDHN COc1ccc(C[N@H+]2C[C@H]3CCCO[C@H]3[C@@H](C(N)=O)C2)c([O-])c1 ZINC001277454606 884452472 /nfs/dbraw/zinc/45/24/72/884452472.db2.gz WQSHRGVMXKOROH-IVMMDQJWSA-N 0 3 320.389 1.113 20 10 DDCDHN COC(=O)c1c(CN2CCN3CC[C@H]3C2)c2ccccc2n1C ZINC001232410243 886340153 /nfs/dbraw/zinc/34/01/53/886340153.db2.gz KOMRAVSCQFCPGG-ZDUSSCGKSA-N 0 3 313.401 1.855 20 10 DDCDHN O=C1CCN(Cc2cccc(OC(F)(F)F)c2O)CCN1 ZINC001233727912 887253843 /nfs/dbraw/zinc/25/38/43/887253843.db2.gz RKGATRHXGWAICU-UHFFFAOYSA-N 0 3 304.268 1.613 20 10 DDCDHN [O-]c1c(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cccc1OC(F)(F)F ZINC001233728620 887254379 /nfs/dbraw/zinc/25/43/79/887254379.db2.gz XOYGMWYLJKJRPM-QWRGUYRKSA-N 0 3 321.295 1.466 20 10 DDCDHN [O-]c1c(C[N@H+]2CC[C@H](O)[C@H](CO)C2)cccc1OC(F)(F)F ZINC001233728620 887254388 /nfs/dbraw/zinc/25/43/88/887254388.db2.gz XOYGMWYLJKJRPM-QWRGUYRKSA-N 0 3 321.295 1.466 20 10 DDCDHN [O-]c1c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cccc1OC(F)(F)F ZINC001233728616 887255309 /nfs/dbraw/zinc/25/53/09/887255309.db2.gz XOYGMWYLJKJRPM-GHMZBOCLSA-N 0 3 321.295 1.466 20 10 DDCDHN [O-]c1c(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cccc1OC(F)(F)F ZINC001233728616 887255325 /nfs/dbraw/zinc/25/53/25/887255325.db2.gz XOYGMWYLJKJRPM-GHMZBOCLSA-N 0 3 321.295 1.466 20 10 DDCDHN CCOc1ccc(CN2CCC[C@@H](NC(=O)COC)C2)c(O)c1 ZINC001237048805 889481598 /nfs/dbraw/zinc/48/15/98/889481598.db2.gz WPAJBJQHXVJGOX-CQSZACIVSA-N 0 3 322.405 1.518 20 10 DDCDHN [O-]c1c(O)cccc1C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000386904978 901027208 /nfs/dbraw/zinc/02/72/08/901027208.db2.gz JEWFXJRJWZUAOV-UHFFFAOYSA-N 0 3 300.362 1.646 20 10 DDCDHN Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCc4cccc([O-])c43)C2=O)cn1 ZINC000296916127 222830805 /nfs/dbraw/zinc/83/08/05/222830805.db2.gz PMBMMIUAAZTYCR-UONOGXRCSA-N 0 3 312.373 1.508 20 10 DDCDHN COc1cccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000093664962 407200002 /nfs/dbraw/zinc/20/00/02/407200002.db2.gz ZLDGTVMMLROKNQ-AWEZNQCLSA-N 0 3 306.406 1.555 20 10 DDCDHN COc1cccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000093664962 407200003 /nfs/dbraw/zinc/20/00/03/407200003.db2.gz ZLDGTVMMLROKNQ-AWEZNQCLSA-N 0 3 306.406 1.555 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c1 ZINC000186511110 407685302 /nfs/dbraw/zinc/68/53/02/407685302.db2.gz OVQGMBZWTNLNDF-SNVBAGLBSA-N 0 3 304.350 1.205 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)c([O-])c1C ZINC000273553374 408244600 /nfs/dbraw/zinc/24/46/00/408244600.db2.gz GJIUTIYIBNNAOR-GDBMZVCRSA-N 0 3 319.449 1.999 20 10 DDCDHN CCOCCO[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000269651258 408375103 /nfs/dbraw/zinc/37/51/03/408375103.db2.gz GOGRCUSEUREXCY-ZDUSSCGKSA-N 0 3 309.362 1.748 20 10 DDCDHN COc1ccc(N2CCCN(C(=O)[C@@H]3CCCCN3)CC2)cc1 ZINC000165750438 408814166 /nfs/dbraw/zinc/81/41/66/408814166.db2.gz VZQYHFJNKUXZTJ-KRWDZBQOSA-N 0 3 317.433 1.876 20 10 DDCDHN C[C@@H]1CN(CCCNC(=O)NCc2ccccc2O)CCCO1 ZINC000277405725 408934118 /nfs/dbraw/zinc/93/41/18/408934118.db2.gz LJMMVKFDJVLOQP-CQSZACIVSA-N 0 3 321.421 1.692 20 10 DDCDHN CCN1CC[C@H]2OCCN(Cc3cc(OC)ccc3O)[C@H]2C1 ZINC000293626119 409149556 /nfs/dbraw/zinc/14/95/56/409149556.db2.gz LCFJTKKJDRHPKT-DOTOQJQBSA-N 0 3 306.406 1.696 20 10 DDCDHN Cc1ccc([C@H](C)NCCS(=O)(=O)N(C)C)c(O)c1C ZINC000290229882 409329892 /nfs/dbraw/zinc/32/98/92/409329892.db2.gz RPNCVVXWZCQFBN-LBPRGKRZSA-N 0 3 300.424 1.551 20 10 DDCDHN COC(=O)c1cnc(SC[C@@H](O)CN(C)C2CC2)s1 ZINC000295795770 409370940 /nfs/dbraw/zinc/37/09/40/409370940.db2.gz AUNRZRRYYRMZHR-VIFPVBQESA-N 0 3 302.421 1.477 20 10 DDCDHN COC(=O)[C@]12C[N@H+](Cc3cc(OC)ccc3[O-])C[C@H]1COCC2 ZINC000373487546 418433808 /nfs/dbraw/zinc/43/38/08/418433808.db2.gz CPAPCNOWDZYCTP-SUMWQHHRSA-N 0 3 321.373 1.412 20 10 DDCDHN COC(=O)[C@]12C[N@@H+](Cc3cc(OC)ccc3[O-])C[C@H]1COCC2 ZINC000373487546 418433812 /nfs/dbraw/zinc/43/38/12/418433812.db2.gz CPAPCNOWDZYCTP-SUMWQHHRSA-N 0 3 321.373 1.412 20 10 DDCDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)C[NH2+]C ZINC000162523971 521285245 /nfs/dbraw/zinc/28/52/45/521285245.db2.gz JUOLYFQXZPRSHS-UHFFFAOYSA-N 0 3 301.184 1.723 20 10 DDCDHN CN(C)c1ccc(CNC(=O)NCCN(C)C2CC2)cc1F ZINC000264823066 522197329 /nfs/dbraw/zinc/19/73/29/522197329.db2.gz HREPDDJKWIFYIB-UHFFFAOYSA-N 0 3 308.401 1.785 20 10 DDCDHN COC(=O)CC1([NH2+]Cc2cccc(OC)c2[O-])CCOCC1 ZINC000268040831 522936104 /nfs/dbraw/zinc/93/61/04/522936104.db2.gz OHEIDTGZGVPUGV-UHFFFAOYSA-N 0 3 309.362 1.603 20 10 DDCDHN COc1cc([O-])c(C[NH2+]CCN2CCCOCC2)cc1OC ZINC000289548678 536856978 /nfs/dbraw/zinc/85/69/78/536856978.db2.gz XKNWHQWELFZFQM-UHFFFAOYSA-N 0 3 310.394 1.221 20 10 DDCDHN CC[C@H](C)[C@H](N)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000011805357 696047857 /nfs/dbraw/zinc/04/78/57/696047857.db2.gz MOQXPNKSKPZXPZ-BBRMVZONSA-N 0 3 305.422 1.717 20 10 DDCDHN CC[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccccc1[O-] ZINC000775416356 697995091 /nfs/dbraw/zinc/99/50/91/697995091.db2.gz UZARWLHZYYVXRA-CYBMUJFWSA-N 0 3 313.419 1.373 20 10 DDCDHN C[C@H](NC(=O)NC[C@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000776236618 698086109 /nfs/dbraw/zinc/08/61/09/698086109.db2.gz ABUZVVFXVJAHBI-SUMWQHHRSA-N 0 3 320.437 1.179 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2CCO)cc1 ZINC000778267271 698255292 /nfs/dbraw/zinc/25/52/92/698255292.db2.gz CTNAJNGEVRFXRN-QGZVFWFLSA-N 0 3 319.449 1.558 20 10 DDCDHN CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CN2CCC1CC2 ZINC000779515813 698429712 /nfs/dbraw/zinc/42/97/12/698429712.db2.gz CEBPNIVVVVKHCG-MFBWXBCUSA-N 0 3 302.374 1.664 20 10 DDCDHN N[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000399224585 699122720 /nfs/dbraw/zinc/12/27/20/699122720.db2.gz MFIVKZMYSXFNON-MRXNPFEDSA-N 0 3 321.396 1.406 20 10 DDCDHN CCOc1ccc(C[N@H+](C)[C@H](C)CN2CCOCC2)c([O-])c1 ZINC000789762892 699406995 /nfs/dbraw/zinc/40/69/95/699406995.db2.gz AFKSCBBYMLFCJQ-CQSZACIVSA-N 0 3 308.422 1.943 20 10 DDCDHN CCOc1ccc(C[N@@H+](C)[C@H](C)CN2CCOCC2)c([O-])c1 ZINC000789762892 699406997 /nfs/dbraw/zinc/40/69/97/699406997.db2.gz AFKSCBBYMLFCJQ-CQSZACIVSA-N 0 3 308.422 1.943 20 10 DDCDHN COc1ccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c([O-])c1 ZINC000740900411 699805649 /nfs/dbraw/zinc/80/56/49/699805649.db2.gz OUYKZTYEQIMHEJ-TZMCWYRMSA-N 0 3 313.419 1.846 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c([O-])c1 ZINC000796492542 699935891 /nfs/dbraw/zinc/93/58/91/699935891.db2.gz UNCZFXNRIJFCRS-NSHDSACASA-N 0 3 313.419 1.846 20 10 DDCDHN COc1cc(Br)cc(C[NH2+]CCN2CCC2)c1[O-] ZINC000752107382 700344791 /nfs/dbraw/zinc/34/47/91/700344791.db2.gz OGIZHUUBJZDHBE-UHFFFAOYSA-N 0 3 315.211 1.959 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)c2c1c(F)ccc2[O-] ZINC000756404270 700619717 /nfs/dbraw/zinc/61/97/17/700619717.db2.gz SUILGGGPNICJMF-ZYHUDNBSSA-N 0 3 322.380 1.951 20 10 DDCDHN C[N@@H+]1CC[C@@](O)(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000762557259 700897982 /nfs/dbraw/zinc/89/79/82/700897982.db2.gz XKOJGLMCDJTGNM-CYBMUJFWSA-N 0 3 315.757 1.110 20 10 DDCDHN C[N@H+]1CC[C@@](O)(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000762557259 700897985 /nfs/dbraw/zinc/89/79/85/700897985.db2.gz XKOJGLMCDJTGNM-CYBMUJFWSA-N 0 3 315.757 1.110 20 10 DDCDHN CCOc1ccc(C[NH2+][C@]2(CC(=O)OC)CCOC2)c([O-])c1 ZINC000766465649 701051963 /nfs/dbraw/zinc/05/19/63/701051963.db2.gz BVOPOYSJCLJSBO-INIZCTEOSA-N 0 3 309.362 1.603 20 10 DDCDHN CC(=O)N(C)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768445290 701177216 /nfs/dbraw/zinc/17/72/16/701177216.db2.gz RFVPTZCESOOCMQ-MRXNPFEDSA-N 0 3 320.389 1.261 20 10 DDCDHN CC(=O)OC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768462472 701179626 /nfs/dbraw/zinc/17/96/26/701179626.db2.gz LTRPGHLRBYOXDZ-HNNXBMFYSA-N 0 3 307.346 1.346 20 10 DDCDHN COc1cccc(O)c1CN1CCC[C@@H](N2CCNC2=O)C1 ZINC000768927173 701216891 /nfs/dbraw/zinc/21/68/91/701216891.db2.gz QUVJLORYCKJSDZ-GFCCVEGCSA-N 0 3 305.378 1.390 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000768927173 701216893 /nfs/dbraw/zinc/21/68/93/701216893.db2.gz QUVJLORYCKJSDZ-GFCCVEGCSA-N 0 3 305.378 1.390 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000768927173 701216895 /nfs/dbraw/zinc/21/68/95/701216895.db2.gz QUVJLORYCKJSDZ-GFCCVEGCSA-N 0 3 305.378 1.390 20 10 DDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCNS(C)(=O)=O)c1[O-] ZINC000808674498 701530595 /nfs/dbraw/zinc/53/05/95/701530595.db2.gz UHEXFTWSJUBIDS-SNVBAGLBSA-N 0 3 320.842 1.944 20 10 DDCDHN COCCN1CC[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000868284435 702041616 /nfs/dbraw/zinc/04/16/16/702041616.db2.gz BYTCCIJPJIKISQ-CHWSQXEVSA-N 0 3 307.394 1.473 20 10 DDCDHN COc1ccc(N(C)C[C@H]2CCCN(C(=O)CN)C2)cc1F ZINC000841012018 702310188 /nfs/dbraw/zinc/31/01/88/702310188.db2.gz WRZNWBUWCABOHR-GFCCVEGCSA-N 0 3 309.385 1.468 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000841717982 702548721 /nfs/dbraw/zinc/54/87/21/702548721.db2.gz OYYAOEQLHKVBOM-INIZCTEOSA-N 0 3 320.437 1.320 20 10 DDCDHN C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H](C)CN1 ZINC000841759752 702558167 /nfs/dbraw/zinc/55/81/67/702558167.db2.gz PODWVJQWXQAHTD-KGLIPLIRSA-N 0 3 316.449 1.961 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000841826674 702573960 /nfs/dbraw/zinc/57/39/60/702573960.db2.gz HWXBMYLNUFFDPF-UONOGXRCSA-N 0 3 304.438 1.953 20 10 DDCDHN C[C@@H]([NH2+]CC(=O)NCCCN1CCCC1=O)c1ccccc1[O-] ZINC000879649976 706749403 /nfs/dbraw/zinc/74/94/03/706749403.db2.gz WGLUZZHGBXBTNB-CYBMUJFWSA-N 0 3 319.405 1.172 20 10 DDCDHN CCOc1cccc(CN[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC000850368127 703727888 /nfs/dbraw/zinc/72/78/88/703727888.db2.gz IZUPNVRDUXDIGV-DGCLKSJQSA-N 0 3 313.419 1.846 20 10 DDCDHN CC(C)C[C@@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868716 704155012 /nfs/dbraw/zinc/15/50/12/704155012.db2.gz LAKFDNMNQPTVQB-QGZVFWFLSA-N 0 3 319.449 1.637 20 10 DDCDHN Cc1cccc(O)c1CN1CCN(c2nccn(C)c2=O)CC1 ZINC000876755907 705859618 /nfs/dbraw/zinc/85/96/18/705859618.db2.gz NPOVNXJDONAAPZ-UHFFFAOYSA-N 0 3 314.389 1.117 20 10 DDCDHN O=CN1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000827877462 706080616 /nfs/dbraw/zinc/08/06/16/706080616.db2.gz NSINHBAUZVONHW-UHFFFAOYSA-N 0 3 303.406 1.187 20 10 DDCDHN Cc1ccc(CN2CCC[C@H](N3CCCS3(=O)=O)C2)c(O)c1 ZINC000877485357 706120214 /nfs/dbraw/zinc/12/02/14/706120214.db2.gz RHTRSYHWWYRBBU-HNNXBMFYSA-N 0 3 324.446 1.701 20 10 DDCDHN O=S1(=O)CCCN1CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834641306 707097436 /nfs/dbraw/zinc/09/74/36/707097436.db2.gz ZACABHJONVEMPE-ZDUSSCGKSA-N 0 3 310.419 1.395 20 10 DDCDHN CN(C)c1ccc(/C=C/CNC[C@@H]2CCCS2(=O)=O)cc1 ZINC000835041887 707161648 /nfs/dbraw/zinc/16/16/48/707161648.db2.gz OUBLPCAJWXBJID-WMHVBEDNSA-N 0 3 308.447 1.933 20 10 DDCDHN COC1CCN(c2ccc(Cn3cc([C@H](C)N)nn3)cc2)CC1 ZINC000881380948 707224554 /nfs/dbraw/zinc/22/45/54/707224554.db2.gz ZISRBFYZAVVOQV-ZDUSSCGKSA-N 0 3 315.421 1.961 20 10 DDCDHN CC[C@@H](NCc1ccc(OC)c(Cn2cccn2)c1)C(=O)NC ZINC000873129291 707742571 /nfs/dbraw/zinc/74/25/71/707742571.db2.gz KIIMRMFHFRAQPO-OAHLLOKOSA-N 0 3 316.405 1.554 20 10 DDCDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)CCOC)cc1F ZINC000884213528 708193597 /nfs/dbraw/zinc/19/35/97/708193597.db2.gz DSIVJSXYALQRKI-AWEZNQCLSA-N 0 3 311.401 1.652 20 10 DDCDHN COCC[C@H](N)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000884305046 708235247 /nfs/dbraw/zinc/23/52/47/708235247.db2.gz KJYYXVRYMABUCF-GJZGRUSLSA-N 0 3 322.405 1.264 20 10 DDCDHN CCOC(=O)N1C[C@H](CO)[C@H](NCc2ccc3c(c2)CCO3)C1 ZINC000898359039 708621588 /nfs/dbraw/zinc/62/15/88/708621588.db2.gz LWPREVCXROHRQA-HUUCEWRRSA-N 0 3 320.389 1.160 20 10 DDCDHN C[C@@H]1NC(=S)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000899225645 709026924 /nfs/dbraw/zinc/02/69/24/709026924.db2.gz XGEOORGZWOWYKR-FZMZJTMJSA-N 0 3 320.462 1.461 20 10 DDCDHN Cc1ccc(O)c(CNC(=O)c2ccnn2CCN(C)C)c1 ZINC000913000382 713142263 /nfs/dbraw/zinc/14/22/63/713142263.db2.gz IDLZEYRLZWAZPP-UHFFFAOYSA-N 0 3 302.378 1.389 20 10 DDCDHN CC[C@@H](CO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245439 710139747 /nfs/dbraw/zinc/13/97/47/710139747.db2.gz FCLHBGAVJJNEJJ-XJKSGUPXSA-N 0 3 307.438 1.490 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cocn2)N(C)C)cc1 ZINC000891251053 710141839 /nfs/dbraw/zinc/14/18/39/710141839.db2.gz COVWVBNGOZYNTO-OAHLLOKOSA-N 0 3 302.378 1.773 20 10 DDCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2COCO2)c1[O-] ZINC000894872360 711303653 /nfs/dbraw/zinc/30/36/53/711303653.db2.gz IKBHJYSDIAFECB-JTQLQIEISA-N 0 3 318.167 1.626 20 10 DDCDHN CN(Cc1ccccc1O)C[C@H]1CN=C(c2cnn(C)c2)O1 ZINC000929971181 713725237 /nfs/dbraw/zinc/72/52/37/713725237.db2.gz NBKOKLGHKOUEGJ-CQSZACIVSA-N 0 3 300.362 1.403 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H](CC)CN2CCOCC2)c([O-])c1 ZINC000922591199 714095490 /nfs/dbraw/zinc/09/54/90/714095490.db2.gz ZUHUOVPNIZXGDO-HNNXBMFYSA-N 0 3 308.422 1.991 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNCCS(=O)(=O)NC1CC1 ZINC001184277746 744014879 /nfs/dbraw/zinc/01/48/79/744014879.db2.gz NHKGTJNQITUWKF-UHFFFAOYSA-N 0 3 311.451 1.232 20 10 DDCDHN CCOC(=O)[C@@H]1CCN(Cc2c(O)cc(O)cc2O)CCC1=O ZINC001144509242 772557281 /nfs/dbraw/zinc/55/72/81/772557281.db2.gz QCEPZBSBXBVJAW-LLVKDONJSA-N 0 3 323.345 1.148 20 10 DDCDHN CCN1CCN(c2ccc(CN3CC(=O)N[C@@H](C)C3)cc2)CC1 ZINC001140302624 860615220 /nfs/dbraw/zinc/61/52/20/860615220.db2.gz VYEBWQVPDLVMGC-HNNXBMFYSA-N 0 3 316.449 1.149 20 10 DDCDHN Fc1cc(N2CCOCC2)ccc1CN1CCN2CC[C@@H]2C1 ZINC001140667389 860670725 /nfs/dbraw/zinc/67/07/25/860670725.db2.gz QUGDGHBGDYPVAX-MRXNPFEDSA-N 0 3 305.397 1.552 20 10 DDCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141033005 860768027 /nfs/dbraw/zinc/76/80/27/860768027.db2.gz WSNQVEHEAFHMSE-INIZCTEOSA-N 0 3 309.362 1.794 20 10 DDCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141033005 860768031 /nfs/dbraw/zinc/76/80/31/860768031.db2.gz WSNQVEHEAFHMSE-INIZCTEOSA-N 0 3 309.362 1.794 20 10 DDCDHN COC(=O)[C@@H](O)C1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC001320522704 866797931 /nfs/dbraw/zinc/79/79/31/866797931.db2.gz RUFUVVHADBOOAA-HNNXBMFYSA-N 0 3 309.362 1.147 20 10 DDCDHN CN(C)c1ccc([C@H](CN2C(=O)NC3(CC3)C2=O)N(C)C)cc1 ZINC001336934854 869223167 /nfs/dbraw/zinc/22/31/67/869223167.db2.gz MBDOLUJHJKMGEI-AWEZNQCLSA-N 0 3 316.405 1.440 20 10 DDCDHN Nc1ccc(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC001338747175 870147001 /nfs/dbraw/zinc/14/70/01/870147001.db2.gz RHXCQXLRFWCWMQ-MRXNPFEDSA-N 0 3 318.421 1.321 20 10 DDCDHN CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203552167 870636763 /nfs/dbraw/zinc/63/67/63/870636763.db2.gz CPWQLAKZAQADCT-HLLBOEOZSA-N 0 3 318.417 1.707 20 10 DDCDHN CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203552167 870636768 /nfs/dbraw/zinc/63/67/68/870636768.db2.gz CPWQLAKZAQADCT-HLLBOEOZSA-N 0 3 318.417 1.707 20 10 DDCDHN O=C(c1cccnc1)N1C[C@H]2C[NH+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC001203556750 870638191 /nfs/dbraw/zinc/63/81/91/870638191.db2.gz VZLBAJNSFFJJBS-IAGOWNOFSA-N 0 3 323.396 1.991 20 10 DDCDHN COc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)c([O-])c1 ZINC001203623632 870679480 /nfs/dbraw/zinc/67/94/80/870679480.db2.gz VOJDUXOCAHWCQX-KRWDZBQOSA-N 0 3 304.390 1.988 20 10 DDCDHN COc1ccc(C[N@H+]2CCCC[C@@]23CC(=O)N(C)C3)c([O-])c1 ZINC001203623632 870679484 /nfs/dbraw/zinc/67/94/84/870679484.db2.gz VOJDUXOCAHWCQX-KRWDZBQOSA-N 0 3 304.390 1.988 20 10 DDCDHN CN1CCCc2cc(CN3C[C@@H]4COC[C@H](C3)N4C)ccc21 ZINC001276577937 874372893 /nfs/dbraw/zinc/37/28/93/874372893.db2.gz GEPUDXSYPOUHKE-CALCHBBNSA-N 0 3 301.434 1.584 20 10 DDCDHN O=C(Nc1nnco1)C12CC([NH2+]Cc3ccc(O)cc3[O-])(C1)C2 ZINC001277192061 882924095 /nfs/dbraw/zinc/92/40/95/882924095.db2.gz KETPMEWLJQQJEX-UHFFFAOYSA-N 0 3 316.317 1.132 20 10 DDCDHN COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N(C)C)c([O-])c1 ZINC001277457425 884516437 /nfs/dbraw/zinc/51/64/37/884516437.db2.gz NPACLWLLQAMOPX-XOIINTDNSA-N 0 3 318.417 1.947 20 10 DDCDHN COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N(C)C)c([O-])c1 ZINC001277457425 884516456 /nfs/dbraw/zinc/51/64/56/884516456.db2.gz NPACLWLLQAMOPX-XOIINTDNSA-N 0 3 318.417 1.947 20 10 DDCDHN CN(C)C1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232198476 886156257 /nfs/dbraw/zinc/15/62/57/886156257.db2.gz UCXHZLBEPSKAEI-UHFFFAOYSA-N 0 3 309.841 1.922 20 10 DDCDHN COc1cc([O-])c(CN2CCN[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC001235060269 888383400 /nfs/dbraw/zinc/38/34/00/888383400.db2.gz GODCILNLSNQEJD-OAHLLOKOSA-N 0 3 311.813 1.192 20 10 DDCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)C[C@H]1O ZINC001236924623 889422607 /nfs/dbraw/zinc/42/26/07/889422607.db2.gz NVTACRYGYXUZOW-BLLLJJGKSA-N 0 3 310.825 1.989 20 10 DDCDHN Cc1cccc([O-])c1C[NH+]1CCC(N2CCOCC2=O)CC1 ZINC001237495286 889668365 /nfs/dbraw/zinc/66/83/65/889668365.db2.gz OMTMGSQQGBIMQH-UHFFFAOYSA-N 0 3 304.390 1.524 20 10 DDCDHN COc1cc(CN2C[C@H]3C[C@@]3(C(=O)N(C)C)C2)cc(O)c1O ZINC001278234816 890223222 /nfs/dbraw/zinc/22/32/22/890223222.db2.gz CNIKKGPVQHOLIH-BDJLRTHQSA-N 0 3 306.362 1.017 20 10 DDCDHN O=C(NCC(F)F)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278255727 890288125 /nfs/dbraw/zinc/28/81/25/890288125.db2.gz XJGMQQUCBVXCKQ-MEBBXXQBSA-N 0 3 314.307 1.735 20 10 DDCDHN O=C(NCC(F)F)[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001278255727 890288136 /nfs/dbraw/zinc/28/81/36/890288136.db2.gz XJGMQQUCBVXCKQ-MEBBXXQBSA-N 0 3 314.307 1.735 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C(=O)OC)C2)c([O-])c1 ZINC001249216466 893872949 /nfs/dbraw/zinc/87/29/49/893872949.db2.gz AABUNBVVPAOQNZ-FZMZJTMJSA-N 0 3 321.373 1.349 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@H](C)[C@@H](C(=O)OC)C2)c([O-])c1 ZINC001249216466 893872956 /nfs/dbraw/zinc/87/29/56/893872956.db2.gz AABUNBVVPAOQNZ-FZMZJTMJSA-N 0 3 321.373 1.349 20 10 DDCDHN Cc1cccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1[O-] ZINC000289145570 131361728 /nfs/dbraw/zinc/36/17/28/131361728.db2.gz AQHSJOKRFBRAJI-CQSZACIVSA-N 0 3 324.446 1.747 20 10 DDCDHN Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c([O-])c1O ZINC000378576766 292068484 /nfs/dbraw/zinc/06/84/84/292068484.db2.gz ZNCIZFZVKBETNY-AEGPPILISA-N 0 3 316.401 1.963 20 10 DDCDHN Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c([O-])c1O ZINC000378576766 292068485 /nfs/dbraw/zinc/06/84/85/292068485.db2.gz ZNCIZFZVKBETNY-AEGPPILISA-N 0 3 316.401 1.963 20 10 DDCDHN Cc1cccc(CN2CCC(N(C)S(C)(=O)=O)CC2)c1O ZINC000271727616 407727793 /nfs/dbraw/zinc/72/77/93/407727793.db2.gz MDSPWJNTNBKUSN-UHFFFAOYSA-N 0 3 312.435 1.556 20 10 DDCDHN CSCC[C@@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000166478217 408815994 /nfs/dbraw/zinc/81/59/94/408815994.db2.gz SHMSRGKFOGKZLD-CQSZACIVSA-N 0 3 307.463 1.766 20 10 DDCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCC(=O)OC ZINC000282433092 409053498 /nfs/dbraw/zinc/05/34/98/409053498.db2.gz KFMHYFMKVGJJGD-CYBMUJFWSA-N 0 3 322.405 1.672 20 10 DDCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NCC(=O)OC ZINC000282433092 409053499 /nfs/dbraw/zinc/05/34/99/409053499.db2.gz KFMHYFMKVGJJGD-CYBMUJFWSA-N 0 3 322.405 1.672 20 10 DDCDHN COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000278745580 409088340 /nfs/dbraw/zinc/08/83/40/409088340.db2.gz RQOSBRUCPWUEGM-HOCLYGCPSA-N 0 3 309.406 1.546 20 10 DDCDHN COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000278745580 409088341 /nfs/dbraw/zinc/08/83/41/409088341.db2.gz RQOSBRUCPWUEGM-HOCLYGCPSA-N 0 3 309.406 1.546 20 10 DDCDHN Oc1cc2c(cc1CN1CCN([C@@H]3CCC[C@H]3O)CC1)OCO2 ZINC000371328009 418779784 /nfs/dbraw/zinc/77/97/84/418779784.db2.gz QYKPMPNBPKVOLW-ZIAGYGMSSA-N 0 3 320.389 1.152 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1OC ZINC000378460392 418722978 /nfs/dbraw/zinc/72/29/78/418722978.db2.gz WDCMGDSMEFLURI-GFCCVEGCSA-N 0 3 303.362 1.780 20 10 DDCDHN COc1c([O-])c(CN2CC[C@H](n3cncn3)C2)ccc1[N+](=O)[O-] ZINC000373202748 418931788 /nfs/dbraw/zinc/93/17/88/418931788.db2.gz IZWYRDIOFOEKEQ-NSHDSACASA-N 0 3 319.321 1.348 20 10 DDCDHN O=C(c1cn[n-]c1[C@@H]1CC[NH2+]C1)N1CCc2c1cccc2F ZINC000662791330 424768094 /nfs/dbraw/zinc/76/80/94/424768094.db2.gz JUMAZYGVNWFHBL-SNVBAGLBSA-N 0 3 300.337 1.829 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CC[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000278530542 484296948 /nfs/dbraw/zinc/29/69/48/484296948.db2.gz VCHVJWYCCXOSFO-BXUZGUMPSA-N 0 3 321.377 1.835 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CC[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000278530542 484296955 /nfs/dbraw/zinc/29/69/55/484296955.db2.gz VCHVJWYCCXOSFO-BXUZGUMPSA-N 0 3 321.377 1.835 20 10 DDCDHN COc1c([O-])c(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000278530542 484296961 /nfs/dbraw/zinc/29/69/61/484296961.db2.gz VCHVJWYCCXOSFO-BXUZGUMPSA-N 0 3 321.377 1.835 20 10 DDCDHN COc1c([O-])c(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000278530542 484296966 /nfs/dbraw/zinc/29/69/66/484296966.db2.gz VCHVJWYCCXOSFO-BXUZGUMPSA-N 0 3 321.377 1.835 20 10 DDCDHN CNC(=O)CC1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000160339169 524056283 /nfs/dbraw/zinc/05/62/83/524056283.db2.gz CQOBMGZJTYCPTI-UHFFFAOYSA-N 0 3 322.405 1.758 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)CNC[C@@H]1CCCO1 ZINC000169102104 697343560 /nfs/dbraw/zinc/34/35/60/697343560.db2.gz ORVKWXJWCJAUHJ-INIZCTEOSA-N 0 3 305.422 1.446 20 10 DDCDHN COc1c([O-])c(C[NH2+]CCc2n[nH]c(C)n2)ccc1[N+](=O)[O-] ZINC000775055986 697958716 /nfs/dbraw/zinc/95/87/16/697958716.db2.gz JMPBXECMIOWONE-UHFFFAOYSA-N 0 3 307.310 1.068 20 10 DDCDHN COc1c([O-])c(C[NH2+]CCc2nnc(C)[nH]2)ccc1[N+](=O)[O-] ZINC000775055986 697958719 /nfs/dbraw/zinc/95/87/19/697958719.db2.gz JMPBXECMIOWONE-UHFFFAOYSA-N 0 3 307.310 1.068 20 10 DDCDHN COc1cc(O)c(CN[C@H]2CCCS(=O)(=O)C2)cc1OC ZINC000776213771 698081748 /nfs/dbraw/zinc/08/17/48/698081748.db2.gz WQULMATYNMPXGG-NSHDSACASA-N 0 3 315.391 1.076 20 10 DDCDHN COCCN1CCC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779514756 698429313 /nfs/dbraw/zinc/42/93/13/698429313.db2.gz MOGBHMOJTDPVOS-HZRUHFOJSA-N 0 3 320.389 1.338 20 10 DDCDHN CCOc1cccc(CNC(C)(C)CS(C)(=O)=O)c1O ZINC000391400898 699098109 /nfs/dbraw/zinc/09/81/09/699098109.db2.gz BSQKJVKVGLCGGQ-UHFFFAOYSA-N 0 3 301.408 1.704 20 10 DDCDHN CNC(=O)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000738431184 699759420 /nfs/dbraw/zinc/75/94/20/699759420.db2.gz ZUMCNHXWLHBNKR-UHFFFAOYSA-N 0 3 320.393 1.811 20 10 DDCDHN Cc1nc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000794458535 699811168 /nfs/dbraw/zinc/81/11/68/699811168.db2.gz OJQKEGGRHYGKMH-LBPRGKRZSA-N 0 3 301.394 1.801 20 10 DDCDHN COC(=O)[C@H](C)C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768450249 701177887 /nfs/dbraw/zinc/17/78/87/701177887.db2.gz JHTHVPHGLPAHIP-BMIGLBTASA-N 0 3 321.373 1.592 20 10 DDCDHN COC(=O)[C@H](C)C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768450249 701177888 /nfs/dbraw/zinc/17/78/88/701177888.db2.gz JHTHVPHGLPAHIP-BMIGLBTASA-N 0 3 321.373 1.592 20 10 DDCDHN COC(=O)CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C(C)C ZINC000768449631 701178070 /nfs/dbraw/zinc/17/80/70/701178070.db2.gz XENBFEGMNFBPPW-AWEZNQCLSA-N 0 3 309.362 1.592 20 10 DDCDHN COC(=O)CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C(C)C ZINC000768449631 701178072 /nfs/dbraw/zinc/17/80/72/701178072.db2.gz XENBFEGMNFBPPW-AWEZNQCLSA-N 0 3 309.362 1.592 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000840953725 702291138 /nfs/dbraw/zinc/29/11/38/702291138.db2.gz XLKPWJORDQTRRB-HOTGVXAUSA-N 0 3 303.406 1.150 20 10 DDCDHN CN1CCN(c2ccc(CN3CCO[C@H](CF)C3)cc2)CC1 ZINC000840954621 702292728 /nfs/dbraw/zinc/29/27/28/702292728.db2.gz LJNYIYGPIMJKKL-QGZVFWFLSA-N 0 3 307.413 1.609 20 10 DDCDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841019337 702312694 /nfs/dbraw/zinc/31/26/94/702312694.db2.gz IALPLLUVCDYSAK-CHWSQXEVSA-N 0 3 318.421 1.444 20 10 DDCDHN CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1ccccc1[O-] ZINC000866439880 706699531 /nfs/dbraw/zinc/69/95/31/706699531.db2.gz KKRPFZNAZRHTPO-GVXVVHGQSA-N 0 3 308.378 1.499 20 10 DDCDHN CC[C@@H]([NH2+]CCCS(=O)(=O)NC)c1ccc(C)cc1[O-] ZINC000866459239 706703738 /nfs/dbraw/zinc/70/37/38/706703738.db2.gz WCLUNLRIBNZFTD-CYBMUJFWSA-N 0 3 300.424 1.681 20 10 DDCDHN CN(C)c1ccc(/C=C\CN[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000846030447 703229052 /nfs/dbraw/zinc/22/90/52/703229052.db2.gz DKAWKABSZFFRBU-XVWMLYKFSA-N 0 3 323.462 1.389 20 10 DDCDHN CC[C@H](C(=O)N(C)CCN(C)c1ccc(OC)cc1)N(C)C ZINC000846441900 703276713 /nfs/dbraw/zinc/27/67/13/703276713.db2.gz FLMLODPBQKMOGU-MRXNPFEDSA-N 0 3 307.438 1.930 20 10 DDCDHN COC(=O)CCN1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1=O ZINC000879650400 706749539 /nfs/dbraw/zinc/74/95/39/706749539.db2.gz ZMALHIJIKLUGMH-DGCLKSJQSA-N 0 3 306.362 1.207 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000855229077 704474188 /nfs/dbraw/zinc/47/41/88/704474188.db2.gz HKUCNSXYMSVMQK-WMLDXEAASA-N 0 3 319.449 1.976 20 10 DDCDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1Cc2cccc(O)c2C1 ZINC000875236221 705324685 /nfs/dbraw/zinc/32/46/85/705324685.db2.gz BMQSOZFSYZRJJJ-KBPBESRZSA-N 0 3 317.389 1.281 20 10 DDCDHN CCN1CCN(CCC(=O)NCc2cc(C)ccc2O)CC1 ZINC000862758494 705792155 /nfs/dbraw/zinc/79/21/55/705792155.db2.gz AHPNONRTEDVZDJ-UHFFFAOYSA-N 0 3 305.422 1.344 20 10 DDCDHN Cn1ncc(CN)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000876886589 705908382 /nfs/dbraw/zinc/90/83/82/705908382.db2.gz ZQZDLHCDOJFWPN-UHFFFAOYSA-N 0 3 314.389 1.393 20 10 DDCDHN CN(C)c1ccc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1F ZINC000827131873 705936304 /nfs/dbraw/zinc/93/63/04/705936304.db2.gz FHAZXFFJPJXQLF-DZGCQCFKSA-N 0 3 305.397 1.992 20 10 DDCDHN CC(C)NC(=O)[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877591778 706152041 /nfs/dbraw/zinc/15/20/41/706152041.db2.gz IMKBREDQOMSNCX-AWEZNQCLSA-N 0 3 319.449 1.650 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000877653869 706171251 /nfs/dbraw/zinc/17/12/51/706171251.db2.gz QJQAFLUSWORVMS-CYBMUJFWSA-N 0 3 324.388 1.507 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2CCC[C@@](O)(C[NH+](C)C)C2)c1[O-] ZINC000878867500 706520265 /nfs/dbraw/zinc/52/02/65/706520265.db2.gz GTZXSFNAXDPSRL-QGZVFWFLSA-N 0 3 324.396 1.622 20 10 DDCDHN CN(C)c1ccc(/C=C\CNC[C@H]2CCCS2(=O)=O)cc1 ZINC000835041884 707161698 /nfs/dbraw/zinc/16/16/98/707161698.db2.gz OUBLPCAJWXBJID-OICCZTGUSA-N 0 3 308.447 1.933 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1[C@@H]3CC[C@H]1CC(CCO)C3)[C@@H](O)CO2 ZINC000872758378 707587364 /nfs/dbraw/zinc/58/73/64/707587364.db2.gz TYBITBOXVGXFMS-HOWNWNINSA-N 0 3 319.401 1.943 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1[C@@H]3CC[C@H]1CC(CCO)C3)[C@@H](O)CO2 ZINC000872758378 707587367 /nfs/dbraw/zinc/58/73/67/707587367.db2.gz TYBITBOXVGXFMS-HOWNWNINSA-N 0 3 319.401 1.943 20 10 DDCDHN CCn1ccnc1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000883283553 707965091 /nfs/dbraw/zinc/96/50/91/707965091.db2.gz JPHABKHKZQEFNI-UHFFFAOYSA-N 0 3 313.449 1.945 20 10 DDCDHN NC(=O)C1CCN(c2ccc(CNCC3(F)CC3)cc2)CC1 ZINC000886324642 708743569 /nfs/dbraw/zinc/74/35/69/708743569.db2.gz AMOUXOHGNSVIHR-UHFFFAOYSA-N 0 3 305.397 1.980 20 10 DDCDHN CC[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H](C)O ZINC000900864533 709796653 /nfs/dbraw/zinc/79/66/53/709796653.db2.gz YZMJDSUIKUVZFI-COXVUDFISA-N 0 3 321.465 1.879 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)C2=COCC2)N(C)C)cc1 ZINC000891251537 710141916 /nfs/dbraw/zinc/14/19/16/710141916.db2.gz GEKRAGMNTBSPCQ-INIZCTEOSA-N 0 3 303.406 1.776 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCOC2)N(C)C)cc1 ZINC000891251896 710142537 /nfs/dbraw/zinc/14/25/37/710142537.db2.gz HXNLHFKPXQIROP-DOTOQJQBSA-N 0 3 319.449 1.898 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2csnn2)N(C)C)cc1 ZINC000891252161 710142559 /nfs/dbraw/zinc/14/25/59/710142559.db2.gz HJBDIADRSGCAOJ-CQSZACIVSA-N 0 3 319.434 1.637 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)CCCC(N)=O)N(C)C)cc1 ZINC000891256302 710143926 /nfs/dbraw/zinc/14/39/26/710143926.db2.gz XGJTUAZNTNHCPI-HNNXBMFYSA-N 0 3 320.437 1.127 20 10 DDCDHN COc1ccc(CNCC(=O)NCC(F)(F)F)c(O)c1OC ZINC000892766816 710495074 /nfs/dbraw/zinc/49/50/74/710495074.db2.gz AOAAAUVHYSTXFU-UHFFFAOYSA-N 0 3 322.283 1.178 20 10 DDCDHN COc1ccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(O)c1OC ZINC000893942390 710894791 /nfs/dbraw/zinc/89/47/91/710894791.db2.gz GISHWBDUQJJLHB-SUHUHFCYSA-N 0 3 320.389 1.495 20 10 DDCDHN CO[C@]1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCS(=O)(=O)C1 ZINC000903365085 711105569 /nfs/dbraw/zinc/10/55/69/711105569.db2.gz HRZROMWPARVTKC-YGRLFVJLSA-N 0 3 317.382 1.386 20 10 DDCDHN COC(=O)c1c(CNC[C@H](O)C2CC2)c2cc(F)ccc2n1C ZINC000894763872 711263150 /nfs/dbraw/zinc/26/31/50/711263150.db2.gz CNBHJCVHSQBCEJ-HNNXBMFYSA-N 0 3 320.364 1.965 20 10 DDCDHN NC(=O)C1(N2CCCCC2)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000895554298 711540353 /nfs/dbraw/zinc/54/03/53/711540353.db2.gz VKICBOACUIKBFE-UHFFFAOYSA-N 0 3 317.433 1.698 20 10 DDCDHN CO[C@H](C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895746637 711594421 /nfs/dbraw/zinc/59/44/21/711594421.db2.gz OIXGUVWSBXGGIX-CZUORRHYSA-N 0 3 322.453 1.689 20 10 DDCDHN CCOc1ccc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)c([O-])c1 ZINC000895773777 711603271 /nfs/dbraw/zinc/60/32/71/711603271.db2.gz SQWFVBDTVBQWFZ-HNNXBMFYSA-N 0 3 320.389 1.176 20 10 DDCDHN O=S1(=O)C[C@H]2CN(Cc3cc4c(cc3O)CCCC4)C[C@H]2C1 ZINC000904437223 711858204 /nfs/dbraw/zinc/85/82/04/711858204.db2.gz PVLYRIMMKXLVDM-IYBDPMFKSA-N 0 3 321.442 1.747 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)NCc1ccc2c(c1)CCCO2 ZINC000922156195 713977213 /nfs/dbraw/zinc/97/72/13/713977213.db2.gz IAKZNGJXWOIVQL-AWEZNQCLSA-N 0 3 312.435 1.429 20 10 DDCDHN COc1ccc(N(C)CCN(C)CCNC(=O)C2CC2)cc1 ZINC001171730084 776427380 /nfs/dbraw/zinc/42/73/80/776427380.db2.gz RAHFWFWPRVSBIY-UHFFFAOYSA-N 0 3 305.422 1.589 20 10 DDCDHN CC1(C)CC(=O)NCCN1Cc1ccc(N2CCOCC2)cc1 ZINC001119450192 781456863 /nfs/dbraw/zinc/45/68/63/781456863.db2.gz NXIHHJAWZYEVJL-UHFFFAOYSA-N 0 3 317.433 1.624 20 10 DDCDHN CN1CCN(c2ccc(CN3CCOC4(CC4)C3)cc2)CC1 ZINC001139410852 860390258 /nfs/dbraw/zinc/39/02/58/860390258.db2.gz IPNAQOHBGUBITF-UHFFFAOYSA-N 0 3 301.434 1.803 20 10 DDCDHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CCCO2)cc1C ZINC001320958105 867155088 /nfs/dbraw/zinc/15/50/88/867155088.db2.gz YOVAEERNYAVBQW-LIMHQNJXSA-N 0 3 318.417 1.945 20 10 DDCDHN COc1cnc(O[C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)nc1 ZINC001203561572 870641495 /nfs/dbraw/zinc/64/14/95/870641495.db2.gz WHXGLNIOLWFOAH-CYBMUJFWSA-N 0 3 301.346 1.844 20 10 DDCDHN COc1cnc(O[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)nc1 ZINC001203561572 870641509 /nfs/dbraw/zinc/64/15/09/870641509.db2.gz WHXGLNIOLWFOAH-CYBMUJFWSA-N 0 3 301.346 1.844 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccc(O)cc3[O-])CC[C@@H]21 ZINC001204272514 871030035 /nfs/dbraw/zinc/03/00/35/871030035.db2.gz CAXJORVDOOSMDQ-RDJZCZTQSA-N 0 3 320.389 1.310 20 10 DDCDHN CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccc(O)cc3[O-])CC[C@@H]21 ZINC001204272514 871030050 /nfs/dbraw/zinc/03/00/50/871030050.db2.gz CAXJORVDOOSMDQ-RDJZCZTQSA-N 0 3 320.389 1.310 20 10 DDCDHN COC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1C(=O)OC ZINC001352109359 876601929 /nfs/dbraw/zinc/60/19/29/876601929.db2.gz IQZOKDQHEJREDD-GJZGRUSLSA-N 0 3 320.389 1.147 20 10 DDCDHN O=C([O-])c1ccc(O)c(CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001231560660 885732336 /nfs/dbraw/zinc/73/23/36/885732336.db2.gz NOTLXECZOUHZAQ-UHFFFAOYSA-N 0 3 313.357 1.808 20 10 DDCDHN Cc1ccc(CN2CC3(C[C@@H]3C(=O)NCC3COC3)C2)c(O)c1 ZINC001277567464 885873130 /nfs/dbraw/zinc/87/31/30/885873130.db2.gz HBWOTXIOESGGCW-OAHLLOKOSA-N 0 3 316.401 1.285 20 10 DDCDHN [O-]c1cc(Cl)c(Cl)cc1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234988191 888303830 /nfs/dbraw/zinc/30/38/30/888303830.db2.gz JCZLDTBDPIYMMI-CQSZACIVSA-N 0 3 316.232 1.836 20 10 DDCDHN Cc1cc(CN2CCNC(=O)C23CNC3)c(C)n1-c1ccccc1 ZINC001235070221 888393968 /nfs/dbraw/zinc/39/39/68/888393968.db2.gz PSWKJHUIKUELOQ-UHFFFAOYSA-N 0 3 324.428 1.368 20 10 DDCDHN COC(=O)[C@@H]1CNCCN1Cc1ccc(N2CCCC2)cc1 ZINC001236052752 889081020 /nfs/dbraw/zinc/08/10/20/889081020.db2.gz FZXZYYHQRMWTJN-INIZCTEOSA-N 0 3 303.406 1.234 20 10 DDCDHN NC(=O)[C@@H]1CCCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237118681 889509063 /nfs/dbraw/zinc/50/90/63/889509063.db2.gz AJRAJNIYDJQMIW-SECBINFHSA-N 0 3 318.295 1.988 20 10 DDCDHN C[N@@H+](Cc1cc(-c2ccc(F)cc2)ccc1[O-])C[C@@H](O)CO ZINC001237646019 889779709 /nfs/dbraw/zinc/77/97/09/889779709.db2.gz MQRSGEDCYSPFEE-MRXNPFEDSA-N 0 3 305.349 1.983 20 10 DDCDHN C[N@H+](Cc1cc(-c2ccc(F)cc2)ccc1[O-])C[C@@H](O)CO ZINC001237646019 889779717 /nfs/dbraw/zinc/77/97/17/889779717.db2.gz MQRSGEDCYSPFEE-MRXNPFEDSA-N 0 3 305.349 1.983 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)c([O-])c1 ZINC001249171776 893851091 /nfs/dbraw/zinc/85/10/91/893851091.db2.gz FOASKBMUDISAJX-OCCSQVGLSA-N 0 3 307.390 1.701 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2C[C@@H](CO)CC[C@H]2C)c([O-])c1 ZINC001249171776 893851100 /nfs/dbraw/zinc/85/11/00/893851100.db2.gz FOASKBMUDISAJX-OCCSQVGLSA-N 0 3 307.390 1.701 20 10 DDCDHN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H](C)CO ZINC000273951247 130190459 /nfs/dbraw/zinc/19/04/59/130190459.db2.gz FHWPXLFPKDQAJI-ZIAGYGMSSA-N 0 3 307.438 1.318 20 10 DDCDHN COc1cccc(CN[C@H]2COc3ccccc3[C@@H]2O)c1O ZINC000288720687 131337187 /nfs/dbraw/zinc/33/71/87/131337187.db2.gz ZYMPHJKHOOMLHJ-GUYCJALGSA-N 0 3 301.342 1.985 20 10 DDCDHN Cc1ccc(O)c(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000289584064 131398050 /nfs/dbraw/zinc/39/80/50/131398050.db2.gz UCGQFHZWRWYFBJ-AWEZNQCLSA-N 0 3 312.435 1.556 20 10 DDCDHN C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000179888012 407837361 /nfs/dbraw/zinc/83/73/61/407837361.db2.gz HNQNTSRSGLGSBW-RISCZKNCSA-N 0 3 300.362 1.582 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000172963253 407856278 /nfs/dbraw/zinc/85/62/78/407856278.db2.gz YWFHQEDVIKEHKW-IYBDPMFKSA-N 0 3 301.434 1.957 20 10 DDCDHN COc1cccc(CNC(=O)NCCN2CCC[C@@H](C)C2)c1O ZINC000173848174 407901027 /nfs/dbraw/zinc/90/10/27/407901027.db2.gz VLPFOEXVAWQQSC-CYBMUJFWSA-N 0 3 321.421 1.932 20 10 DDCDHN CCCN(CC(=O)N(C)CC(=O)OCC)Cc1ccccc1O ZINC000264614056 408541350 /nfs/dbraw/zinc/54/13/50/408541350.db2.gz LHSVTZKMPWFLIC-UHFFFAOYSA-N 0 3 322.405 1.626 20 10 DDCDHN COC(=O)/C=C/c1ccc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC000270933179 408747287 /nfs/dbraw/zinc/74/72/87/408747287.db2.gz YMTDXMRKFZQMJI-FNORWQNLSA-N 0 3 305.334 1.531 20 10 DDCDHN CCC[N@H+](CCC(=O)N1CCN(C)CC1)Cc1ccccc1[O-] ZINC000282627578 409059835 /nfs/dbraw/zinc/05/98/35/409059835.db2.gz ANFUTJSEPGICMH-UHFFFAOYSA-N 0 3 319.449 1.768 20 10 DDCDHN CCC[N@@H+](CCC(=O)N1CCN(C)CC1)Cc1ccccc1[O-] ZINC000282627578 409059838 /nfs/dbraw/zinc/05/98/38/409059838.db2.gz ANFUTJSEPGICMH-UHFFFAOYSA-N 0 3 319.449 1.768 20 10 DDCDHN O=S(=O)(C1CC[NH+](Cc2ccccc2[O-])CC1)N1CCCC1 ZINC000282774428 409063791 /nfs/dbraw/zinc/06/37/91/409063791.db2.gz PXMXHLGRCSPOBD-UHFFFAOYSA-N 0 3 324.446 1.782 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000289665108 409283635 /nfs/dbraw/zinc/28/36/35/409283635.db2.gz NJGZDAIYFSSXLT-DZGCQCFKSA-N 0 3 306.406 1.696 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000289665108 409283637 /nfs/dbraw/zinc/28/36/37/409283637.db2.gz NJGZDAIYFSSXLT-DZGCQCFKSA-N 0 3 306.406 1.696 20 10 DDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@](COC)(C(=O)OC)C2)c1 ZINC000295042980 409309129 /nfs/dbraw/zinc/30/91/29/409309129.db2.gz MSZDTGRDSBQLQY-QGZVFWFLSA-N 0 3 323.389 1.802 20 10 DDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@](COC)(C(=O)OC)C2)c1 ZINC000295042980 409309133 /nfs/dbraw/zinc/30/91/33/409309133.db2.gz MSZDTGRDSBQLQY-QGZVFWFLSA-N 0 3 323.389 1.802 20 10 DDCDHN C[C@H](NC1CC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000296426046 409543492 /nfs/dbraw/zinc/54/34/92/409543492.db2.gz MWDLABAQDAMSPE-ZDUSSCGKSA-N 0 3 303.406 1.280 20 10 DDCDHN CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000297784998 409997952 /nfs/dbraw/zinc/99/79/52/409997952.db2.gz PSLWTFDZNXQBKT-CQSZACIVSA-N 0 3 324.446 1.641 20 10 DDCDHN O=C(CC1CC[NH+](Cc2ccccc2[O-])CC1)N1CCOCC1 ZINC000374282180 418514068 /nfs/dbraw/zinc/51/40/68/418514068.db2.gz CXGXMXNMKFOHJK-UHFFFAOYSA-N 0 3 318.417 1.853 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCO[C@]3(CCOC3)C1)OCO2 ZINC000374281840 418514379 /nfs/dbraw/zinc/51/43/79/418514379.db2.gz CWFJBXNZXTYQDY-BLLLJJGKSA-N 0 3 307.346 1.549 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)cc1OC ZINC000367350680 418590048 /nfs/dbraw/zinc/59/00/48/418590048.db2.gz XHHNAORIWDMWAN-CHWSQXEVSA-N 0 3 320.389 1.652 20 10 DDCDHN COc1cc(O)c(CN[C@@H]2CC(=O)N3CCCC[C@H]23)cc1OC ZINC000367350680 418590051 /nfs/dbraw/zinc/59/00/51/418590051.db2.gz XHHNAORIWDMWAN-CHWSQXEVSA-N 0 3 320.389 1.652 20 10 DDCDHN CCOc1ccc(O)c(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1 ZINC000377837272 418715399 /nfs/dbraw/zinc/71/53/99/418715399.db2.gz KUDMPHAXGLCNII-KYOSRNDESA-N 0 3 304.390 1.890 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000368051957 418680049 /nfs/dbraw/zinc/68/00/49/418680049.db2.gz RHMMVXDAFDKMIV-BLLLJJGKSA-N 0 3 303.362 1.517 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000368051957 418680051 /nfs/dbraw/zinc/68/00/51/418680051.db2.gz RHMMVXDAFDKMIV-BLLLJJGKSA-N 0 3 303.362 1.517 20 10 DDCDHN c1cc(N2CCOCC2)ccc1CN1CC([C@H]2CCOC2)C1 ZINC000369868548 418738766 /nfs/dbraw/zinc/73/87/66/418738766.db2.gz SGFWTNRAZIGFRH-INIZCTEOSA-N 0 3 302.418 1.992 20 10 DDCDHN Cn1ccc(N2CC[C@H]([NH2+]Cc3cc(F)ccc3[O-])C2=O)n1 ZINC000378500787 418724377 /nfs/dbraw/zinc/72/43/77/418724377.db2.gz XUHULVABUVMVRS-LBPRGKRZSA-N 0 3 304.325 1.160 20 10 DDCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CNCCO1 ZINC000570618347 421657201 /nfs/dbraw/zinc/65/72/01/421657201.db2.gz GQSUEWWYPVZYGM-ZDUSSCGKSA-N 0 3 316.405 1.274 20 10 DDCDHN COC[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000181582256 522730937 /nfs/dbraw/zinc/73/09/37/522730937.db2.gz TZSNKBHHUDTDNN-KRWDZBQOSA-N 0 3 319.449 1.726 20 10 DDCDHN COc1ccc(O)c(CN2CCc3nn(C)c(=O)cc3C2)c1 ZINC000180529063 524746666 /nfs/dbraw/zinc/74/66/66/524746666.db2.gz JDPBRUFNFBOOQY-UHFFFAOYSA-N 0 3 301.346 1.053 20 10 DDCDHN C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccccc1[O-] ZINC000179903178 525554167 /nfs/dbraw/zinc/55/41/67/525554167.db2.gz WTWDKWBZBYMHIS-GXTWGEPZSA-N 0 3 314.389 1.972 20 10 DDCDHN O=S(=O)(CC[NH2+]Cc1ccccc1[O-])NCc1ccccc1 ZINC000238100277 527176158 /nfs/dbraw/zinc/17/61/58/527176158.db2.gz KVWIQWJUCFSCHT-UHFFFAOYSA-N 0 3 320.414 1.601 20 10 DDCDHN CC(C)[C@@H](CCO)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000274126865 535181724 /nfs/dbraw/zinc/18/17/24/535181724.db2.gz XXQLNCYBQQVSPJ-QGZVFWFLSA-N 0 3 321.465 1.708 20 10 DDCDHN CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000775369092 697989111 /nfs/dbraw/zinc/98/91/11/697989111.db2.gz JCOJGAHLRXSWMI-UWVGGRQHSA-N 0 3 309.366 1.286 20 10 DDCDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NC(=O)NC2CC2)c1 ZINC000775371816 697989987 /nfs/dbraw/zinc/98/99/87/697989987.db2.gz UPRGHIWZUARFAQ-UWVGGRQHSA-N 0 3 321.377 1.428 20 10 DDCDHN C[C@@H](NCC(=O)NC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000775831698 698042394 /nfs/dbraw/zinc/04/23/94/698042394.db2.gz TYLVPHHDTCFTSK-CYBMUJFWSA-N 0 3 305.422 1.698 20 10 DDCDHN Cc1cc(Cl)cc(C[NH2+]CCCN(C)S(C)(=O)=O)c1[O-] ZINC000775982071 698057944 /nfs/dbraw/zinc/05/79/44/698057944.db2.gz PGPFWYRUTCDUPD-UHFFFAOYSA-N 0 3 320.842 1.725 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)CC(N)=O)c1[O-] ZINC000776250830 698087793 /nfs/dbraw/zinc/08/77/93/698087793.db2.gz MWHJZPFCBKWNLT-QMMMGPOBSA-N 0 3 301.184 1.817 20 10 DDCDHN CCOc1ccc(O)c(CNCc2cnn(CCOC)c2)c1 ZINC000800286724 700212814 /nfs/dbraw/zinc/21/28/14/700212814.db2.gz AOCWSZBPSNSVRO-UHFFFAOYSA-N 0 3 305.378 1.924 20 10 DDCDHN CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000778984241 698388655 /nfs/dbraw/zinc/38/86/55/698388655.db2.gz CHRSRGLGPXJKCL-NSHDSACASA-N 0 3 316.398 1.293 20 10 DDCDHN CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000778984241 698388662 /nfs/dbraw/zinc/38/86/62/698388662.db2.gz CHRSRGLGPXJKCL-NSHDSACASA-N 0 3 316.398 1.293 20 10 DDCDHN CS(=O)(=O)NC[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000778984241 698388668 /nfs/dbraw/zinc/38/86/68/698388668.db2.gz CHRSRGLGPXJKCL-NSHDSACASA-N 0 3 316.398 1.293 20 10 DDCDHN OC[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000305199969 698640498 /nfs/dbraw/zinc/64/04/98/698640498.db2.gz MKCCXXCQJHWKRT-HNNXBMFYSA-N 0 3 308.397 1.867 20 10 DDCDHN COCCO[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000800849753 700248777 /nfs/dbraw/zinc/24/87/77/700248777.db2.gz FGPGVWBTBWXVBU-CJNGLKHVSA-N 0 3 323.389 1.445 20 10 DDCDHN COCCO[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000800849753 700248779 /nfs/dbraw/zinc/24/87/79/700248779.db2.gz FGPGVWBTBWXVBU-CJNGLKHVSA-N 0 3 323.389 1.445 20 10 DDCDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCN2C)c2c1c(F)ccc2[O-] ZINC000756568457 700629764 /nfs/dbraw/zinc/62/97/64/700629764.db2.gz FKECZZXNTPCSHU-YRGRVCCFSA-N 0 3 307.413 1.915 20 10 DDCDHN CCOCCO[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768461383 701179372 /nfs/dbraw/zinc/17/93/72/701179372.db2.gz CCAHAVDVZLBXIZ-XJKSGUPXSA-N 0 3 323.389 1.445 20 10 DDCDHN CCOCCO[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768461383 701179375 /nfs/dbraw/zinc/17/93/75/701179375.db2.gz CCAHAVDVZLBXIZ-XJKSGUPXSA-N 0 3 323.389 1.445 20 10 DDCDHN C[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1O ZINC000868217712 702005164 /nfs/dbraw/zinc/00/51/64/702005164.db2.gz VDMMSFDLRKPYBZ-IHRRRGAJSA-N 0 3 319.405 1.616 20 10 DDCDHN COc1c([O-])c(CN2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841100109 702346390 /nfs/dbraw/zinc/34/63/90/702346390.db2.gz UVODBEPOLUEUPC-ZYHUDNBSSA-N 0 3 309.366 1.726 20 10 DDCDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000841758408 702557874 /nfs/dbraw/zinc/55/78/74/702557874.db2.gz HBQMJPFTMPATPZ-UONOGXRCSA-N 0 3 316.449 1.961 20 10 DDCDHN COC(=O)CNC(=O)[C@H]1CCCN1Cc1cc(C)c(C)cc1O ZINC000841892837 702608122 /nfs/dbraw/zinc/60/81/22/702608122.db2.gz YGTFQLGIZOGATM-CQSZACIVSA-N 0 3 320.389 1.263 20 10 DDCDHN CC[C@@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000843488100 702891441 /nfs/dbraw/zinc/89/14/41/702891441.db2.gz QVUJCHWMRAPZNU-DLBZAZTESA-N 0 3 319.449 1.998 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@H]2C[C@H](O)C2(C)C)cc1 ZINC000846957896 703357527 /nfs/dbraw/zinc/35/75/27/703357527.db2.gz OOKSHMCMNSKNHY-GJZGRUSLSA-N 0 3 305.422 1.118 20 10 DDCDHN COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652355 706749939 /nfs/dbraw/zinc/74/99/39/706749939.db2.gz YXBXKJPTRWSUIK-JSGCOSHPSA-N 0 3 322.405 1.747 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c([O-])c1 ZINC000848566643 703563829 /nfs/dbraw/zinc/56/38/29/703563829.db2.gz CWZXIOFWZWYOMA-GFCCVEGCSA-N 0 3 302.378 1.567 20 10 DDCDHN Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000848603494 703568396 /nfs/dbraw/zinc/56/83/96/703568396.db2.gz QDIRWEFZBFLTOV-CABCVRRESA-N 0 3 316.405 1.340 20 10 DDCDHN CN(C)CCCS(=O)(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000866672268 706760280 /nfs/dbraw/zinc/76/02/80/706760280.db2.gz HXCZEQQRWXMEGG-UHFFFAOYSA-N 0 3 317.430 1.263 20 10 DDCDHN CCOc1cccc(CN[C@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC000850368125 703727796 /nfs/dbraw/zinc/72/77/96/703727796.db2.gz IZUPNVRDUXDIGV-AAEUAGOBSA-N 0 3 313.419 1.846 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c([O-])c1 ZINC000826844864 705883869 /nfs/dbraw/zinc/88/38/69/705883869.db2.gz ASRNJFKZHIACEX-CYBMUJFWSA-N 0 3 302.378 1.905 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c([O-])c1 ZINC000826844864 705883872 /nfs/dbraw/zinc/88/38/72/705883872.db2.gz ASRNJFKZHIACEX-CYBMUJFWSA-N 0 3 302.378 1.905 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c([O-])c1 ZINC000827139971 705938722 /nfs/dbraw/zinc/93/87/22/705938722.db2.gz FQTXJUSFMSZEGT-DOMZBBRYSA-N 0 3 304.390 1.891 20 10 DDCDHN CCOc1ccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c([O-])c1 ZINC000827139971 705938726 /nfs/dbraw/zinc/93/87/26/705938726.db2.gz FQTXJUSFMSZEGT-DOMZBBRYSA-N 0 3 304.390 1.891 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000877501989 706125007 /nfs/dbraw/zinc/12/50/07/706125007.db2.gz XYCYVZKEEYJSBB-GXTWGEPZSA-N 0 3 312.435 1.508 20 10 DDCDHN COc1cc(CN2CC[C@@H](O)[C@@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000877750035 706198639 /nfs/dbraw/zinc/19/86/39/706198639.db2.gz FQADDAFHALKOLY-CABCVRRESA-N 0 3 309.406 1.626 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@H]2COCC2(C)C)cc1 ZINC000832170559 706859875 /nfs/dbraw/zinc/85/98/75/706859875.db2.gz PAJFMUDWOFKJBD-HNNXBMFYSA-N 0 3 305.422 1.383 20 10 DDCDHN COc1ccc(N2CCCN(C(=O)[C@@H](N)CC3CC3)CC2)cc1 ZINC000884197670 708183950 /nfs/dbraw/zinc/18/39/50/708183950.db2.gz AVFLJSTUBUPMMP-KRWDZBQOSA-N 0 3 317.433 1.861 20 10 DDCDHN C[C@@H]1CS(=O)(=O)C[C@@H]1NC/C=C/c1ccc(N(C)C)cc1 ZINC000886293802 708736776 /nfs/dbraw/zinc/73/67/76/708736776.db2.gz QZHCWGOLEZBJJQ-GNVQUDOXSA-N 0 3 308.447 1.789 20 10 DDCDHN CN(C)c1ccc([C@@H](CN2C(=O)NC(C)(C)C2=O)N(C)C)cc1 ZINC000900186359 709320097 /nfs/dbraw/zinc/32/00/97/709320097.db2.gz YQACANRNKLJYAQ-CQSZACIVSA-N 0 3 318.421 1.686 20 10 DDCDHN COC/C=C\C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246452 710140499 /nfs/dbraw/zinc/14/04/99/710140499.db2.gz NWQXVWSCSXMSIY-WLMCBFPDSA-N 0 3 305.422 1.674 20 10 DDCDHN COC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254162 710143242 /nfs/dbraw/zinc/14/32/42/710143242.db2.gz WOGSVNPNHABVEF-OAHLLOKOSA-N 0 3 307.438 1.897 20 10 DDCDHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3c[nH]cn3)cc2)C1 ZINC000894384512 711097649 /nfs/dbraw/zinc/09/76/49/711097649.db2.gz HKVMMFJYAKBOEO-AWEZNQCLSA-N 0 3 313.405 1.401 20 10 DDCDHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3cnc[nH]3)cc2)C1 ZINC000894384512 711097653 /nfs/dbraw/zinc/09/76/53/711097653.db2.gz HKVMMFJYAKBOEO-AWEZNQCLSA-N 0 3 313.405 1.401 20 10 DDCDHN CO[C@@]1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCS(=O)(=O)C1 ZINC000903365333 711105373 /nfs/dbraw/zinc/10/53/73/711105373.db2.gz MBZNETWKVATEQB-SWLSCSKDSA-N 0 3 313.419 1.555 20 10 DDCDHN CC[C@@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1ccccc1[O-] ZINC000903366671 711106015 /nfs/dbraw/zinc/10/60/15/711106015.db2.gz UPBLCKNWNOEDPK-HIFRSBDPSA-N 0 3 313.419 1.637 20 10 DDCDHN O=C1N(CC[NH2+]Cc2cc(F)ccc2[O-])C[C@@H]2CCCCN12 ZINC000895340743 711489235 /nfs/dbraw/zinc/48/92/35/711489235.db2.gz BNKQNIUTEPKPFI-AWEZNQCLSA-N 0 3 307.369 1.911 20 10 DDCDHN COC(=O)c1c(CN[C@H]2C[C@H](O)C2)c2cc(F)ccc2n1C ZINC000895349966 711491862 /nfs/dbraw/zinc/49/18/62/711491862.db2.gz LBIMJMLOYLEDHX-XYPYZODXSA-N 0 3 306.337 1.717 20 10 DDCDHN CCN(CC)c1ccc(CN2CC[C@](O)(C(=O)OC)C2)cc1 ZINC000895706544 711584102 /nfs/dbraw/zinc/58/41/02/711584102.db2.gz GGIMTJPCKXHURH-QGZVFWFLSA-N 0 3 306.406 1.643 20 10 DDCDHN C[NH+]1CCC(CNC(=S)NCc2c([O-])cccc2F)CC1 ZINC000905660115 712109758 /nfs/dbraw/zinc/10/97/58/712109758.db2.gz DCKIMVPOOATVEP-UHFFFAOYSA-N 0 3 311.426 1.837 20 10 DDCDHN C[C@H]1[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1C ZINC000915390801 713418057 /nfs/dbraw/zinc/41/80/57/713418057.db2.gz QMZWZBUSYDENMF-XJKSGUPXSA-N 0 3 316.449 1.961 20 10 DDCDHN CCN(CC)c1ccc(CNC[C@H](O)CS(C)(=O)=O)cc1 ZINC000922828493 714161103 /nfs/dbraw/zinc/16/11/03/714161103.db2.gz RWGVSEBQXMUYLH-HNNXBMFYSA-N 0 3 314.451 1.028 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)c([O-])c1 ZINC000922992131 714206402 /nfs/dbraw/zinc/20/64/02/714206402.db2.gz AAYZGTXFCXHZQI-GFCCVEGCSA-N 0 3 302.378 1.567 20 10 DDCDHN CCC[NH+]1C[C@@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]2C1 ZINC001148587760 773540627 /nfs/dbraw/zinc/54/06/27/773540627.db2.gz LUAZABYSJVMGGX-VXGBXAGGSA-N 0 3 306.362 1.217 20 10 DDCDHN CCOC(=O)[C@H]1CNCCN1Cc1ccc(N2CCCC2)cc1 ZINC001118241480 781072979 /nfs/dbraw/zinc/07/29/79/781072979.db2.gz GYFRBHSGNBRDPL-QGZVFWFLSA-N 0 3 317.433 1.624 20 10 DDCDHN Cn1ccnc1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327375343 862116093 /nfs/dbraw/zinc/11/60/93/862116093.db2.gz LLNIQQSEUVXCNY-UHFFFAOYSA-N 0 3 303.385 1.923 20 10 DDCDHN CC(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c([O-])c1 ZINC001274779935 852597364 /nfs/dbraw/zinc/59/73/64/852597364.db2.gz PTKJOEGVIYSXTI-SFHVURJKSA-N 0 3 318.417 1.949 20 10 DDCDHN CC(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c([O-])c1 ZINC001274779935 852597368 /nfs/dbraw/zinc/59/73/68/852597368.db2.gz PTKJOEGVIYSXTI-SFHVURJKSA-N 0 3 318.417 1.949 20 10 DDCDHN Oc1ccc(O)c(CN2CC3(CN(CCn4ccnc4)C3)C2)c1 ZINC001275418592 853096687 /nfs/dbraw/zinc/09/66/87/853096687.db2.gz HJFAZOQKJUFULH-UHFFFAOYSA-N 0 3 314.389 1.112 20 10 DDCDHN COCCOCN1CC2(C1)CN(Cc1cccc(C)c1O)C2 ZINC001276080144 854713327 /nfs/dbraw/zinc/71/33/27/854713327.db2.gz JLCIEDHJRUPECA-UHFFFAOYSA-N 0 3 306.406 1.439 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(OC)c1 ZINC001141028419 860765805 /nfs/dbraw/zinc/76/58/05/860765805.db2.gz NRGDRLBGDBZYHA-ZDUSSCGKSA-N 0 3 322.405 1.316 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](N3CCOCC3)C2)c(OC)c1 ZINC001141028419 860765808 /nfs/dbraw/zinc/76/58/08/860765808.db2.gz NRGDRLBGDBZYHA-ZDUSSCGKSA-N 0 3 322.405 1.316 20 10 DDCDHN CN1CCN(C2CN(Cc3ccc(N4CCCC4)cc3)C2)CC1 ZINC001204328571 871059323 /nfs/dbraw/zinc/05/93/23/871059323.db2.gz JQRVDQFELPBKBI-UHFFFAOYSA-N 0 3 314.477 1.718 20 10 DDCDHN COc1cc([O-])c(CN2C[C@@H]3C[NH2+]C[C@H]32)cc1Br ZINC001236290769 889164554 /nfs/dbraw/zinc/16/45/54/889164554.db2.gz KHRWGTXJXLDVFL-GXSJLCMTSA-N 0 3 313.195 1.567 20 10 DDCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001237053775 889484628 /nfs/dbraw/zinc/48/46/28/889484628.db2.gz QHDGFKORWRVTSP-MFKMUULPSA-N 0 3 321.295 1.118 20 10 DDCDHN [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001237053775 889484637 /nfs/dbraw/zinc/48/46/37/889484637.db2.gz QHDGFKORWRVTSP-MFKMUULPSA-N 0 3 321.295 1.118 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@H]1C)cc2=O ZINC000047274651 352488509 /nfs/dbraw/zinc/48/85/09/352488509.db2.gz YRKXCPYOXZXCSL-LLVKDONJSA-N 0 3 318.377 1.986 20 10 DDCDHN COc1cccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000093017853 193194198 /nfs/dbraw/zinc/19/41/98/193194198.db2.gz KANTXIGDKFHXDG-OAHLLOKOSA-N 0 3 320.433 1.945 20 10 DDCDHN COc1cccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000093017853 193194200 /nfs/dbraw/zinc/19/42/00/193194200.db2.gz KANTXIGDKFHXDG-OAHLLOKOSA-N 0 3 320.433 1.945 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000284087215 131047533 /nfs/dbraw/zinc/04/75/33/131047533.db2.gz LTIQBWRDGWKRII-NWDGAFQWSA-N 0 3 313.419 1.876 20 10 DDCDHN CCN(CC)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000299326975 132099114 /nfs/dbraw/zinc/09/91/14/132099114.db2.gz YPFFAAMKCOKFQG-UHFFFAOYSA-N 0 3 305.422 1.481 20 10 DDCDHN CCN(C)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000102004395 407319279 /nfs/dbraw/zinc/31/92/79/407319279.db2.gz PDBLFJUKQUHCQC-UHFFFAOYSA-N 0 3 304.438 1.820 20 10 DDCDHN COc1cc(O)c(CN2CCC(C3OCCO3)CC2)cc1OC ZINC000271069798 407495525 /nfs/dbraw/zinc/49/55/25/407495525.db2.gz DVTPBKSGUWGIPY-UHFFFAOYSA-N 0 3 323.389 1.994 20 10 DDCDHN COc1cc([O-])c(C[NH+]2CCC(C3OCCO3)CC2)cc1OC ZINC000271069798 407495530 /nfs/dbraw/zinc/49/55/30/407495530.db2.gz DVTPBKSGUWGIPY-UHFFFAOYSA-N 0 3 323.389 1.994 20 10 DDCDHN COc1cc(O)c(CNC[C@](C)(O)C(F)(F)F)cc1OC ZINC000271803201 407731141 /nfs/dbraw/zinc/73/11/41/407731141.db2.gz JLEOHZQFXWQFGB-LBPRGKRZSA-N 0 3 309.284 1.812 20 10 DDCDHN COc1ccc([O-])c(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000271782030 407731909 /nfs/dbraw/zinc/73/19/09/407731909.db2.gz DXXBKLAIGGTPIN-MAUKXSAKSA-N 0 3 317.385 1.975 20 10 DDCDHN COC(=O)c1cn(C2CC[NH+](Cc3ccccc3[O-])CC2)nn1 ZINC000184757426 408683433 /nfs/dbraw/zinc/68/34/33/408683433.db2.gz JFAIWFIGCDJVIW-UHFFFAOYSA-N 0 3 316.361 1.607 20 10 DDCDHN C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000185341864 408797038 /nfs/dbraw/zinc/79/70/38/408797038.db2.gz FFRYINIGBYQNNF-GFCCVEGCSA-N 0 3 309.385 1.346 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c1 ZINC000185343934 408797826 /nfs/dbraw/zinc/79/78/26/408797826.db2.gz ONCYAMLRDRDINZ-HUUCEWRRSA-N 0 3 321.465 1.935 20 10 DDCDHN CO[C@H]1CCCC[C@H]1NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000277032848 408905075 /nfs/dbraw/zinc/90/50/75/408905075.db2.gz SGXHXJAQMPGUJT-SJORKVTESA-N 0 3 319.449 1.916 20 10 DDCDHN COc1cc(Cl)cc(CN[C@H](C)C(=O)NCCF)c1O ZINC000282807792 409063247 /nfs/dbraw/zinc/06/32/47/409063247.db2.gz SLCJMNWWOUDJSY-MRVPVSSYSA-N 0 3 304.749 1.618 20 10 DDCDHN C[C@@H](N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)O ZINC000295126838 409332754 /nfs/dbraw/zinc/33/27/54/409332754.db2.gz JKCMHTJKOBPRFT-CQSZACIVSA-N 0 3 321.465 1.802 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H](CC)CNS(C)(=O)=O)c1 ZINC000295138101 409340073 /nfs/dbraw/zinc/34/00/73/409340073.db2.gz ZCQPMFNEQHOTMN-LBPRGKRZSA-N 0 3 316.423 1.208 20 10 DDCDHN CCOc1ccc(O)c(CN[C@@H](CC)CNS(C)(=O)=O)c1 ZINC000295138101 409340075 /nfs/dbraw/zinc/34/00/75/409340075.db2.gz ZCQPMFNEQHOTMN-LBPRGKRZSA-N 0 3 316.423 1.208 20 10 DDCDHN CN(Cc1cccs1)c1ccc(CN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000296969251 409733641 /nfs/dbraw/zinc/73/36/41/409733641.db2.gz USSGRPOEEMTPHQ-CALCHBBNSA-N 0 3 318.442 1.922 20 10 DDCDHN CCCOc1ccc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c([O-])c1 ZINC000366485476 418480582 /nfs/dbraw/zinc/48/05/82/418480582.db2.gz WKPVSQIYMKHCBN-ZIAGYGMSSA-N 0 3 318.373 1.276 20 10 DDCDHN CCCOc1ccc(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c([O-])c1 ZINC000366485476 418480584 /nfs/dbraw/zinc/48/05/84/418480584.db2.gz WKPVSQIYMKHCBN-ZIAGYGMSSA-N 0 3 318.373 1.276 20 10 DDCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)C1CCOCC1 ZINC000374257379 418510870 /nfs/dbraw/zinc/51/08/70/418510870.db2.gz DSIAYBYGHCVHMM-UHFFFAOYSA-N 0 3 318.417 1.899 20 10 DDCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc2c(cc1O)OCO2 ZINC000368976633 418727418 /nfs/dbraw/zinc/72/74/18/418727418.db2.gz XXNVMHYLQGHNAJ-ISOBSLSZSA-N 0 3 304.346 1.207 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000365192617 418842428 /nfs/dbraw/zinc/84/24/28/418842428.db2.gz RNKOJZWAMDAZOX-AEFFLSMTSA-N 0 3 317.433 1.526 20 10 DDCDHN CC[C@@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1ccccc1[O-] ZINC000367690632 280184179 /nfs/dbraw/zinc/18/41/79/280184179.db2.gz UVXFJRBNEHLWRM-OFKYTCTHSA-N 0 3 317.389 1.954 20 10 DDCDHN COc1cc(O)c(CN(C)CCN2CCOCC2)cc1OC ZINC000180023500 522770191 /nfs/dbraw/zinc/77/01/91/522770191.db2.gz LERTXVBYVKMYFA-UHFFFAOYSA-N 0 3 310.394 1.173 20 10 DDCDHN COc1cc([O-])c(C[NH2+]CCN2CCOC(C)(C)C2)cc1OC ZINC000182197042 522779154 /nfs/dbraw/zinc/77/91/54/522779154.db2.gz XZOQTSSDKKTVHD-UHFFFAOYSA-N 0 3 324.421 1.610 20 10 DDCDHN Cc1cccc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1O ZINC000180616764 524397544 /nfs/dbraw/zinc/39/75/44/524397544.db2.gz QTFFBZJFSRUSEE-INIZCTEOSA-N 0 3 317.433 1.439 20 10 DDCDHN [O-]c1cc2c(cc1C[NH+]1CCC(C3OCCO3)CC1)OCO2 ZINC000265743562 526335141 /nfs/dbraw/zinc/33/51/41/526335141.db2.gz VLZIRVUEPZKWEH-UHFFFAOYSA-N 0 3 307.346 1.706 20 10 DDCDHN Oc1cc2c(cc1CN1CCC(C3OCCO3)CC1)OCO2 ZINC000265743562 526335142 /nfs/dbraw/zinc/33/51/42/526335142.db2.gz VLZIRVUEPZKWEH-UHFFFAOYSA-N 0 3 307.346 1.706 20 10 DDCDHN CC(=O)NCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121044163 696705379 /nfs/dbraw/zinc/70/53/79/696705379.db2.gz KCDPPMHSKKORRM-INIZCTEOSA-N 0 3 306.406 1.899 20 10 DDCDHN CC(=O)NCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121044163 696705383 /nfs/dbraw/zinc/70/53/83/696705383.db2.gz KCDPPMHSKKORRM-INIZCTEOSA-N 0 3 306.406 1.899 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1[C@H](C)CC[C@H]1C)cc2=O ZINC000123253911 696730329 /nfs/dbraw/zinc/73/03/29/696730329.db2.gz DRRHPEBDJGTBHL-GHMZBOCLSA-N 0 3 318.377 1.984 20 10 DDCDHN C[C@H](N[C@@H]1CCCCNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000194478127 697711137 /nfs/dbraw/zinc/71/11/37/697711137.db2.gz JCFVWQMQRBOPAW-WMLDXEAASA-N 0 3 317.433 1.843 20 10 DDCDHN CNC(=O)[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000785590049 699085727 /nfs/dbraw/zinc/08/57/27/699085727.db2.gz WLQXRDXXLSQMRR-INIZCTEOSA-N 0 3 323.412 1.523 20 10 DDCDHN COC(=O)[C@@](C)(O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000788018918 699267610 /nfs/dbraw/zinc/26/76/10/699267610.db2.gz GSOKGQOKQLWYSD-YOEHRIQHSA-N 0 3 323.389 1.297 20 10 DDCDHN COC(=O)[C@@](C)(O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000788018918 699267612 /nfs/dbraw/zinc/26/76/12/699267612.db2.gz GSOKGQOKQLWYSD-YOEHRIQHSA-N 0 3 323.389 1.297 20 10 DDCDHN O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000790458132 699461689 /nfs/dbraw/zinc/46/16/89/699461689.db2.gz ILFQBIPXHSODOD-IUODEOHRSA-N 0 3 318.373 1.015 20 10 DDCDHN O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000790458132 699461690 /nfs/dbraw/zinc/46/16/90/699461690.db2.gz ILFQBIPXHSODOD-IUODEOHRSA-N 0 3 318.373 1.015 20 10 DDCDHN O=C1CCCN1[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000790458132 699461691 /nfs/dbraw/zinc/46/16/91/699461691.db2.gz ILFQBIPXHSODOD-IUODEOHRSA-N 0 3 318.373 1.015 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000734285636 699646422 /nfs/dbraw/zinc/64/64/22/699646422.db2.gz QRIUINRBUGLZJZ-NEPJUHHUSA-N 0 3 319.405 1.998 20 10 DDCDHN COC[C@H](CO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000793323909 699750238 /nfs/dbraw/zinc/75/02/38/699750238.db2.gz GEZDLMSKDWJJQU-JTQLQIEISA-N 0 3 320.183 1.260 20 10 DDCDHN C[C@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(Br)cc1[O-] ZINC000756556353 700627877 /nfs/dbraw/zinc/62/78/77/700627877.db2.gz NVIBKCLJSBITET-ONGXEEELSA-N 0 3 317.227 1.728 20 10 DDCDHN C[C@H]1CN(C(=O)C2=CC(=O)CS2)CC[C@@H]1N1CCN(C)CC1 ZINC000765419773 701011098 /nfs/dbraw/zinc/01/10/98/701011098.db2.gz DGRAUJGTDMUNAK-JSGCOSHPSA-N 0 3 323.462 1.552 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000809770954 701688204 /nfs/dbraw/zinc/68/82/04/701688204.db2.gz BTGSQCZHIKWFSE-CYBMUJFWSA-N 0 3 304.390 1.845 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000809770954 701688207 /nfs/dbraw/zinc/68/82/07/701688207.db2.gz BTGSQCZHIKWFSE-CYBMUJFWSA-N 0 3 304.390 1.845 20 10 DDCDHN COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840185500 702018829 /nfs/dbraw/zinc/01/88/29/702018829.db2.gz PUHROPUKEGMYQG-YOEHRIQHSA-N 0 3 321.373 1.593 20 10 DDCDHN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840185500 702018836 /nfs/dbraw/zinc/01/88/36/702018836.db2.gz PUHROPUKEGMYQG-YOEHRIQHSA-N 0 3 321.373 1.593 20 10 DDCDHN COc1ccc2c(c1)CCCN2C[C@H]1CCCN(C(=O)CN)C1 ZINC000841012079 702309958 /nfs/dbraw/zinc/30/99/58/702309958.db2.gz YDUSIYAYQAAOSE-CQSZACIVSA-N 0 3 317.433 1.645 20 10 DDCDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841037437 702318610 /nfs/dbraw/zinc/31/86/10/702318610.db2.gz QGEYXBONTYKBJT-OAHLLOKOSA-N 0 3 318.421 1.588 20 10 DDCDHN CCOC(=O)[C@H]1NCC[C@@H]1NCc1ccc2c(c1)CCCN2C ZINC000817900938 702513700 /nfs/dbraw/zinc/51/37/00/702513700.db2.gz RSDLFDMZDYMEDG-RDJZCZTQSA-N 0 3 317.433 1.452 20 10 DDCDHN CC(C)(C)N1CC[C@H](NCc2cc3c(cc2O)OCO3)C1=O ZINC000842720713 702762474 /nfs/dbraw/zinc/76/24/74/702762474.db2.gz LESJEPAXMIGEAM-NSHDSACASA-N 0 3 306.362 1.610 20 10 DDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000866440415 706699809 /nfs/dbraw/zinc/69/98/09/706699809.db2.gz QCBZHBDULMRPSF-UTLUCORTSA-N 0 3 312.341 1.248 20 10 DDCDHN CC[C@@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844174363 702983530 /nfs/dbraw/zinc/98/35/30/702983530.db2.gz YBWYPGDQZNAHAV-MRXNPFEDSA-N 0 3 305.422 1.249 20 10 DDCDHN CCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000846075289 703234849 /nfs/dbraw/zinc/23/48/49/703234849.db2.gz OHHBJVKHEIXRQU-LBPRGKRZSA-N 0 3 304.390 1.891 20 10 DDCDHN COC(=O)CCN1CCC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1=O ZINC000879650387 706749427 /nfs/dbraw/zinc/74/94/27/706749427.db2.gz YKZKZPSJIHGDRO-OCCSQVGLSA-N 0 3 320.389 1.597 20 10 DDCDHN C[C@@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1ccccc1[O-] ZINC000879648187 706749727 /nfs/dbraw/zinc/74/97/27/706749727.db2.gz CLJATLYKNPWQNV-LLVKDONJSA-N 0 3 305.378 1.811 20 10 DDCDHN Nc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000848603495 703568431 /nfs/dbraw/zinc/56/84/31/703568431.db2.gz QDIRWEFZBFLTOV-GJZGRUSLSA-N 0 3 316.405 1.340 20 10 DDCDHN CN1CCCc2cc(CNC(=O)N3CC[C@@H](F)[C@H](N)C3)ccc21 ZINC000851655870 703823471 /nfs/dbraw/zinc/82/34/71/703823471.db2.gz AOLWHIFLYCZMGU-HUUCEWRRSA-N 0 3 320.412 1.650 20 10 DDCDHN COc1ccc(N2CC[C@@H](CNC(=O)CN(C)C(C)C)C2)cc1 ZINC000819583386 704144953 /nfs/dbraw/zinc/14/49/53/704144953.db2.gz WBBXUWWYDKMVME-HNNXBMFYSA-N 0 3 319.449 1.978 20 10 DDCDHN CC[C@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)N(C)C ZINC000855234201 704474395 /nfs/dbraw/zinc/47/43/95/704474395.db2.gz VDQBAUZJIDVLRA-XJKSGUPXSA-N 0 3 305.422 1.730 20 10 DDCDHN CC[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)N(C)C ZINC000856212470 704518548 /nfs/dbraw/zinc/51/85/48/704518548.db2.gz NBSPRCCGTZBBMI-KRWDZBQOSA-N 0 3 319.449 1.604 20 10 DDCDHN C[C@H](CN1CCOCC1)NCc1cc(F)c(N(C)C)cc1F ZINC000858098016 704665543 /nfs/dbraw/zinc/66/55/43/704665543.db2.gz FATFORVRCKUIQJ-GFCCVEGCSA-N 0 3 313.392 1.841 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@H](O)[C@H]2CCCO2)cc1F ZINC000858227645 704682062 /nfs/dbraw/zinc/68/20/62/704682062.db2.gz WLMQRHVYCNWJFB-LSDHHAIUSA-N 0 3 300.349 1.660 20 10 DDCDHN CN(C)c1ccc(C[NH2+]C2CCN(CC(=O)[O-])CC2)cc1F ZINC000874050234 704927164 /nfs/dbraw/zinc/92/71/64/704927164.db2.gz ODVHIXOFXAGLFB-UHFFFAOYSA-N 0 3 309.385 1.530 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C1CC1)C1CC1)cc2=O ZINC000859625160 704954701 /nfs/dbraw/zinc/95/47/01/704954701.db2.gz MTHLPQQBNGTAFV-UHFFFAOYSA-N 0 3 316.361 1.738 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000877075401 705977234 /nfs/dbraw/zinc/97/72/34/705977234.db2.gz BDIUQMCMLJRKPV-SUMWQHHRSA-N 0 3 317.389 1.511 20 10 DDCDHN CC1(CNCc2ccc(N3CCC(O)CC3)cc2)OCCO1 ZINC000877118188 705989368 /nfs/dbraw/zinc/98/93/68/705989368.db2.gz QLPSHHPKNCXVFY-UHFFFAOYSA-N 0 3 306.406 1.500 20 10 DDCDHN COc1cccc(O)c1CN1CCN(c2nccn2C)CC1 ZINC000827891381 706082922 /nfs/dbraw/zinc/08/29/22/706082922.db2.gz JFFWSCWITXYDOC-UHFFFAOYSA-N 0 3 302.378 1.457 20 10 DDCDHN C[C@@H]1CN(CCO)CCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835053030 707163033 /nfs/dbraw/zinc/16/30/33/707163033.db2.gz AEOFAVLCLIHNKP-YIEVGGLXSA-N 0 3 303.450 1.764 20 10 DDCDHN CN1C(=O)[C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@H]2C1=O ZINC000872715170 707567988 /nfs/dbraw/zinc/56/79/88/707567988.db2.gz YIMBFRQUPNPYOH-GASCZTMLSA-N 0 3 310.353 1.592 20 10 DDCDHN CN1C(=O)[C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@H]2C1=O ZINC000872715170 707567993 /nfs/dbraw/zinc/56/79/93/707567993.db2.gz YIMBFRQUPNPYOH-GASCZTMLSA-N 0 3 310.353 1.592 20 10 DDCDHN COC[C@](C)(CO)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873069960 707718422 /nfs/dbraw/zinc/71/84/22/707718422.db2.gz TULXTHRGYKJATA-KRWDZBQOSA-N 0 3 319.405 1.427 20 10 DDCDHN COC[C@@H](CO)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873116889 707736821 /nfs/dbraw/zinc/73/68/21/707736821.db2.gz DWMPNVLIBXBVRX-OAHLLOKOSA-N 0 3 305.378 1.037 20 10 DDCDHN CN1CCN(c2ccc(CNCc3ccc(CO)o3)cc2)CC1 ZINC000883283942 707965052 /nfs/dbraw/zinc/96/50/52/707965052.db2.gz ZMVAVRGZPQCVMP-UHFFFAOYSA-N 0 3 315.417 1.814 20 10 DDCDHN CC(C)[C@H](N)c1cn(Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000900604284 709673491 /nfs/dbraw/zinc/67/34/91/709673491.db2.gz LABOQBFRVWRCRP-KRWDZBQOSA-N 0 3 315.421 1.819 20 10 DDCDHN C[C@@H]1CO[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000891243085 710139263 /nfs/dbraw/zinc/13/92/63/710139263.db2.gz GVOVRBSOHKSDNE-JQFCIGGWSA-N 0 3 319.449 1.897 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CCOC2)N(C)C)cc1 ZINC000891248021 710141205 /nfs/dbraw/zinc/14/12/05/710141205.db2.gz KAYFTRGHPQONAD-RHSMWYFYSA-N 0 3 319.449 1.898 20 10 DDCDHN COc1ccc(CN2CCN(C(C)(C)CO)CC2)c(O)c1OC ZINC000892064030 710364215 /nfs/dbraw/zinc/36/42/15/710364215.db2.gz UPHHQYFLFWZYNN-UHFFFAOYSA-N 0 3 324.421 1.298 20 10 DDCDHN C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccccc1[O-] ZINC000903396697 711113085 /nfs/dbraw/zinc/11/30/85/711113085.db2.gz MACQBXCPZZKKNM-NWDGAFQWSA-N 0 3 300.362 1.817 20 10 DDCDHN C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(F)ccc1[O-] ZINC000903399489 711114677 /nfs/dbraw/zinc/11/46/77/711114677.db2.gz XBPAMZBPEIBAJZ-CMPLNLGQSA-N 0 3 318.352 1.956 20 10 DDCDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C ZINC000919908843 713641685 /nfs/dbraw/zinc/64/16/85/713641685.db2.gz KMVYLTQBYOCIFE-PBHICJAKSA-N 0 3 314.433 1.955 20 10 DDCDHN CN(C)c1cc(F)c(CNCC[C@@H]2CC(=O)N(C)C2)cc1F ZINC000922484749 714067595 /nfs/dbraw/zinc/06/75/95/714067595.db2.gz OSNXGIAFXCWHNB-LLVKDONJSA-N 0 3 311.376 1.989 20 10 DDCDHN CCN(C)C(=O)CO[C@@H]1CCCN(Cc2ccc(O)cc2O)C1 ZINC001204283061 742975966 /nfs/dbraw/zinc/97/59/66/742975966.db2.gz XXGKIXYDAYOVFB-OAHLLOKOSA-N 0 3 322.405 1.557 20 10 DDCDHN COC(=O)[C@]1(C[NH2+]Cc2c(C)cc(OC)cc2[O-])CCOC1 ZINC001184410663 744039757 /nfs/dbraw/zinc/03/97/57/744039757.db2.gz LCFCNBZEBYZTDJ-INIZCTEOSA-N 0 3 309.362 1.379 20 10 DDCDHN CC[NH+](CC)CCN1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137831641 750254824 /nfs/dbraw/zinc/25/48/24/750254824.db2.gz IGQJHRMHSAWVEF-UHFFFAOYSA-N 0 3 309.429 1.991 20 10 DDCDHN CN(C)c1ccc(CN2CCC(O)(c3ccnn3C)CC2)cc1 ZINC001175845887 777924310 /nfs/dbraw/zinc/92/43/10/777924310.db2.gz RTJXKNVCIYXBGH-UHFFFAOYSA-N 0 3 314.433 1.970 20 10 DDCDHN CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC001116437016 780509004 /nfs/dbraw/zinc/50/90/04/780509004.db2.gz OAWNFYDHLFDCGB-LRDDRELGSA-N 0 3 320.389 1.118 20 10 DDCDHN CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC001116437016 780509010 /nfs/dbraw/zinc/50/90/10/780509010.db2.gz OAWNFYDHLFDCGB-LRDDRELGSA-N 0 3 320.389 1.118 20 10 DDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@]2(CC(=O)N(C)C2=O)C1 ZINC001274304421 852142444 /nfs/dbraw/zinc/14/24/44/852142444.db2.gz UMKJARCGQORVJS-KRWDZBQOSA-N 0 3 302.374 1.672 20 10 DDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@]2(CC(=O)N(C)C2=O)C1 ZINC001274304421 852142451 /nfs/dbraw/zinc/14/24/51/852142451.db2.gz UMKJARCGQORVJS-KRWDZBQOSA-N 0 3 302.374 1.672 20 10 DDCDHN CCN(CC)c1ccc(CN2C[C@H](O)[C@H](CO)C2)c(OC)c1 ZINC001138386154 860083037 /nfs/dbraw/zinc/08/30/37/860083037.db2.gz HVERGRZQCXSKRP-HOCLYGCPSA-N 0 3 308.422 1.326 20 10 DDCDHN Cc1ccc(O)c(CN2C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001140623108 860664610 /nfs/dbraw/zinc/66/46/10/860664610.db2.gz LJXJHRLBTGDFOR-DZGCQCFKSA-N 0 3 322.405 1.770 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)c(OC)c1 ZINC001141028581 860765445 /nfs/dbraw/zinc/76/54/45/860765445.db2.gz VOXRXDNVXRUOCY-LBPRGKRZSA-N 0 3 322.405 1.710 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c(OC)c1 ZINC001141028581 860765449 /nfs/dbraw/zinc/76/54/49/860765449.db2.gz VOXRXDNVXRUOCY-LBPRGKRZSA-N 0 3 322.405 1.710 20 10 DDCDHN COc1ccc(CNC/C=C/CNC(=O)[C@H]2CCCO2)cc1C ZINC001320958107 867154992 /nfs/dbraw/zinc/15/49/92/867154992.db2.gz YOVAEERNYAVBQW-REMYHPOOSA-N 0 3 318.417 1.945 20 10 DDCDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203550026 870636531 /nfs/dbraw/zinc/63/65/31/870636531.db2.gz FPSXDBYEJXWFCZ-NVXWUHKLSA-N 0 3 305.374 1.936 20 10 DDCDHN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203550026 870636541 /nfs/dbraw/zinc/63/65/41/870636541.db2.gz FPSXDBYEJXWFCZ-NVXWUHKLSA-N 0 3 305.374 1.936 20 10 DDCDHN CCNC(=O)COC1CC[NH+](Cc2ccc(OC)cc2[O-])CC1 ZINC001203635471 870689400 /nfs/dbraw/zinc/68/94/00/870689400.db2.gz WVYAZDYQDJQDFS-UHFFFAOYSA-N 0 3 322.405 1.518 20 10 DDCDHN CCNC(=O)CO[C@@H]1CCCN(Cc2cc(OC)ccc2O)C1 ZINC001203680182 870707820 /nfs/dbraw/zinc/70/78/20/870707820.db2.gz IWVXFESNKXPPTN-OAHLLOKOSA-N 0 3 322.405 1.518 20 10 DDCDHN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2ccc(N(C)C)cc2)O1 ZINC001203930618 870841042 /nfs/dbraw/zinc/84/10/42/870841042.db2.gz AYDMIZPDPKLIQZ-ZACQAIPSSA-N 0 3 317.433 1.573 20 10 DDCDHN Cc1nnc(CNCc2ccc(N3CCN(C)CC3)cc2)n1C ZINC001308238090 871482013 /nfs/dbraw/zinc/48/20/13/871482013.db2.gz OBQUEGYXCMKTTF-UHFFFAOYSA-N 0 3 314.437 1.165 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC(O)CC3)cc2F)CC1 ZINC001341523699 871693301 /nfs/dbraw/zinc/69/33/01/871693301.db2.gz HCVCPMHIILOLPF-UHFFFAOYSA-N 0 3 307.413 1.534 20 10 DDCDHN CC(C)(C)N1CC[C@](F)(C(=O)NCc2cccc(O)c2O)C1 ZINC001348047191 874344286 /nfs/dbraw/zinc/34/42/86/874344286.db2.gz MQQKHLLJLAPWEX-MRXNPFEDSA-N 0 3 310.369 1.927 20 10 DDCDHN COc1cc(CN2CC[C@@]3(CCC[C@@H]3C(N)=O)C2)cc(O)c1O ZINC001277217709 883067848 /nfs/dbraw/zinc/06/78/48/883067848.db2.gz DEKBQRDQCPRQAL-PXAZEXFGSA-N 0 3 320.389 1.584 20 10 DDCDHN C[C@@H]1[NH2+]C[C@@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001218385114 877470588 /nfs/dbraw/zinc/47/05/88/877470588.db2.gz RJPOFXIVSMFSPS-XPTSAGLGSA-N 0 3 309.321 1.907 20 10 DDCDHN C[C@@H]1[NH2+]C[C@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001218386453 877471558 /nfs/dbraw/zinc/47/15/58/877471558.db2.gz NBANOKOKULOWLN-LKFCYVNXSA-N 0 3 309.321 1.907 20 10 DDCDHN CCOc1cccc(CN2CC3(C2)SCC[C@@H]3C(N)=O)c1O ZINC001277453841 884437153 /nfs/dbraw/zinc/43/71/53/884437153.db2.gz HVGCGJRDUBHGTM-GFCCVEGCSA-N 0 3 322.430 1.584 20 10 DDCDHN COc1cc(O)c(CN2CCc3nncn3CC2)cc1OC ZINC001236749522 889329942 /nfs/dbraw/zinc/32/99/42/889329942.db2.gz JIZGNMGIHBUCIW-UHFFFAOYSA-N 0 3 304.350 1.059 20 10 DDCDHN COc1cc([O-])c(CN2CCO[C@H](C[NH+](C)C)C2)c(Cl)c1 ZINC001236799593 889360695 /nfs/dbraw/zinc/36/06/95/889360695.db2.gz SPGJHEOTFOVJQV-GFCCVEGCSA-N 0 3 314.813 1.817 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000082320330 185175785 /nfs/dbraw/zinc/17/57/85/185175785.db2.gz BUXUUWFXDQWUOR-MRXNPFEDSA-N 0 3 303.406 1.438 20 10 DDCDHN O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)CN1 ZINC000092105882 353845271 /nfs/dbraw/zinc/84/52/71/353845271.db2.gz BLWAISMSIJGESU-YPMHNXCESA-N 0 3 318.373 1.612 20 10 DDCDHN O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)CN1 ZINC000092105882 353845273 /nfs/dbraw/zinc/84/52/73/353845273.db2.gz BLWAISMSIJGESU-YPMHNXCESA-N 0 3 318.373 1.612 20 10 DDCDHN COc1cccc(CN[C@H]2COc3ccccc3[C@H]2O)c1O ZINC000288720693 131337209 /nfs/dbraw/zinc/33/72/09/131337209.db2.gz ZYMPHJKHOOMLHJ-SUMWQHHRSA-N 0 3 301.342 1.985 20 10 DDCDHN CN1CCN(CC2CC[NH+](Cc3cccc(F)c3[O-])CC2)CC1 ZINC000289381580 131381018 /nfs/dbraw/zinc/38/10/18/131381018.db2.gz COXSTXAGYGLYAD-UHFFFAOYSA-N 0 3 321.440 1.991 20 10 DDCDHN COCCN(C)CCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000031096374 406937397 /nfs/dbraw/zinc/93/73/97/406937397.db2.gz UAKXWWDMHBUWKV-UHFFFAOYSA-N 0 3 322.453 1.520 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C)c([O-])c1 ZINC000185971013 407554023 /nfs/dbraw/zinc/55/40/23/407554023.db2.gz CYDTUSURBLRYLO-GFCCVEGCSA-N 0 3 300.424 1.679 20 10 DDCDHN CNS(=O)(=O)C1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000271154371 407543715 /nfs/dbraw/zinc/54/37/15/407543715.db2.gz CEFIXUSJPCTWLB-UHFFFAOYSA-N 0 3 318.826 1.559 20 10 DDCDHN C[C@H](N)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178834100 407619591 /nfs/dbraw/zinc/61/95/91/407619591.db2.gz CTHDIXHFYYBRRQ-WDEREUQCSA-N 0 3 313.348 1.720 20 10 DDCDHN COc1cc(O)c(CN2CCC[C@@H](OCCO)C2)cc1OC ZINC000271756806 407732671 /nfs/dbraw/zinc/73/26/71/407732671.db2.gz XNGUACQADROKOC-CYBMUJFWSA-N 0 3 311.378 1.383 20 10 DDCDHN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCCN1 ZINC000237688844 407834530 /nfs/dbraw/zinc/83/45/30/407834530.db2.gz WPRLJGNRUGETQS-HNNXBMFYSA-N 0 3 321.396 1.421 20 10 DDCDHN COc1cccc(CNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1O ZINC000268130326 407904526 /nfs/dbraw/zinc/90/45/26/407904526.db2.gz IDZRPQMPHYUDEP-RISCZKNCSA-N 0 3 319.405 1.683 20 10 DDCDHN C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000276904186 408901868 /nfs/dbraw/zinc/90/18/68/408901868.db2.gz JNCXISHTAUQGDX-QWRGUYRKSA-N 0 3 300.349 1.778 20 10 DDCDHN CCOc1cccc(CN[C@H](CC)CNS(C)(=O)=O)c1O ZINC000295107951 409322722 /nfs/dbraw/zinc/32/27/22/409322722.db2.gz UPXULTMFFGHXPN-GFCCVEGCSA-N 0 3 316.423 1.208 20 10 DDCDHN CCOc1cccc(C[NH2+][C@H](CC)CNS(C)(=O)=O)c1[O-] ZINC000295107951 409322726 /nfs/dbraw/zinc/32/27/26/409322726.db2.gz UPXULTMFFGHXPN-GFCCVEGCSA-N 0 3 316.423 1.208 20 10 DDCDHN COC[C@]1(C(=O)OC)CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000295110344 409327079 /nfs/dbraw/zinc/32/70/79/409327079.db2.gz UVPVEIXHHCWCHO-KRWDZBQOSA-N 0 3 324.396 1.903 20 10 DDCDHN COc1ccnc(N2CCC[N@H+](Cc3ccccc3[O-])CC2)n1 ZINC000374260751 418510833 /nfs/dbraw/zinc/51/08/33/418510833.db2.gz YNHYQQMNYKYXNA-UHFFFAOYSA-N 0 3 314.389 1.903 20 10 DDCDHN COc1ccnc(N2CCC[N@@H+](Cc3ccccc3[O-])CC2)n1 ZINC000374260751 418510835 /nfs/dbraw/zinc/51/08/35/418510835.db2.gz YNHYQQMNYKYXNA-UHFFFAOYSA-N 0 3 314.389 1.903 20 10 DDCDHN CN(C)C(=O)CC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000180564746 418519582 /nfs/dbraw/zinc/51/95/82/418519582.db2.gz HMRNLDIWJLUSTF-UHFFFAOYSA-N 0 3 320.389 1.811 20 10 DDCDHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3ccn(C)n3)C2=O)c1 ZINC000368315004 418718818 /nfs/dbraw/zinc/71/88/18/418718818.db2.gz BFPVRHJEXQGBDF-TZMCWYRMSA-N 0 3 314.389 1.890 20 10 DDCDHN CCN1C(=O)[C@@H]2CN(Cc3cc(C)ccc3O)CCN2C1=O ZINC000362007653 418738583 /nfs/dbraw/zinc/73/85/83/418738583.db2.gz BEJOXBMOWWBCAR-ZDUSSCGKSA-N 0 3 303.362 1.169 20 10 DDCDHN C[C@@H]1CC(=O)NCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000368592614 418722835 /nfs/dbraw/zinc/72/28/35/418722835.db2.gz LWPIRJSIKKXWGE-CQSZACIVSA-N 0 3 303.406 1.234 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1OC ZINC000378450743 418723629 /nfs/dbraw/zinc/72/36/29/418723629.db2.gz CWRCWJFIMSDAQR-DYVFJYSZSA-N 0 3 323.389 1.837 20 10 DDCDHN CCOc1cccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O ZINC000368964358 418726413 /nfs/dbraw/zinc/72/64/13/418726413.db2.gz OHEHWCWLRIANHP-CORIIIEPSA-N 0 3 304.390 1.877 20 10 DDCDHN COc1ccc(O)c([C@H](C)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000372598925 418886068 /nfs/dbraw/zinc/88/60/68/418886068.db2.gz FCQFIPYIPUQLJF-FDQGKXFDSA-N 0 3 320.433 1.993 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CC[C@@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000278530544 484296203 /nfs/dbraw/zinc/29/62/03/484296203.db2.gz VCHVJWYCCXOSFO-FZMZJTMJSA-N 0 3 321.377 1.835 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CC[C@@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000278530544 484296207 /nfs/dbraw/zinc/29/62/07/484296207.db2.gz VCHVJWYCCXOSFO-FZMZJTMJSA-N 0 3 321.377 1.835 20 10 DDCDHN COc1c([O-])c(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000278530544 484296217 /nfs/dbraw/zinc/29/62/17/484296217.db2.gz VCHVJWYCCXOSFO-FZMZJTMJSA-N 0 3 321.377 1.835 20 10 DDCDHN COc1c([O-])c(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000278530544 484296221 /nfs/dbraw/zinc/29/62/21/484296221.db2.gz VCHVJWYCCXOSFO-FZMZJTMJSA-N 0 3 321.377 1.835 20 10 DDCDHN CCN1CCN(c2ccc(CN[C@H](C)CC(N)=O)cc2F)CC1 ZINC000267217504 521698515 /nfs/dbraw/zinc/69/85/15/521698515.db2.gz INPZNDHPEXKPOL-CYBMUJFWSA-N 0 3 322.428 1.321 20 10 DDCDHN COc1cc([O-])c(C[NH2+]CCC2(O)CCOCC2)cc1OC ZINC000289365782 536856413 /nfs/dbraw/zinc/85/64/13/536856413.db2.gz KWIBIHIMOBTIGV-UHFFFAOYSA-N 0 3 311.378 1.431 20 10 DDCDHN CCCN(CC(=O)N1CCO[C@H](C)C1)Cc1ccccc1O ZINC000068973704 696378948 /nfs/dbraw/zinc/37/89/48/696378948.db2.gz FHURLUCLJUGOAM-CQSZACIVSA-N 0 3 306.406 1.852 20 10 DDCDHN CS(=O)(=O)N[C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000160210431 697315843 /nfs/dbraw/zinc/31/58/43/697315843.db2.gz GIABRPMMYTZJPH-OAHLLOKOSA-N 0 3 324.446 1.395 20 10 DDCDHN OCC1CCN(c2ccc(CNCc3cn[nH]c3)cc2)CC1 ZINC000749922261 700192419 /nfs/dbraw/zinc/19/24/19/700192419.db2.gz YURAGOXJNYFHJJ-UHFFFAOYSA-N 0 3 300.406 1.908 20 10 DDCDHN COc1cc(O)c(CN[C@@H](CO)CC(F)(F)F)cc1OC ZINC000776253253 698088641 /nfs/dbraw/zinc/08/86/41/698088641.db2.gz LLEKFJALKLVBLQ-SECBINFHSA-N 0 3 309.284 1.812 20 10 DDCDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@@H]1O ZINC000779200268 698401340 /nfs/dbraw/zinc/40/13/40/698401340.db2.gz YSEKYRJGVGWMBY-GUYCJALGSA-N 0 3 308.397 1.865 20 10 DDCDHN COc1ccc(CNCc2ccc(C(=O)N(C)C)[nH]2)c(O)c1 ZINC000793386531 699753298 /nfs/dbraw/zinc/75/32/98/699753298.db2.gz VQHAXRRNBSCMFD-UHFFFAOYSA-N 0 3 303.362 1.721 20 10 DDCDHN COc1ccc(C[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)c([O-])c1 ZINC000793386531 699753299 /nfs/dbraw/zinc/75/32/99/699753299.db2.gz VQHAXRRNBSCMFD-UHFFFAOYSA-N 0 3 303.362 1.721 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@@H]3CCNC3=O)c2c1 ZINC000758401036 700703477 /nfs/dbraw/zinc/70/34/77/700703477.db2.gz PNCMBGUMOMFWEO-OAHLLOKOSA-N 0 3 300.358 1.874 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@@H]3CCNC3=O)c2c1 ZINC000758401036 700703479 /nfs/dbraw/zinc/70/34/79/700703479.db2.gz PNCMBGUMOMFWEO-OAHLLOKOSA-N 0 3 300.358 1.874 20 10 DDCDHN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)CN(C)C)cc1 ZINC000808171701 701504332 /nfs/dbraw/zinc/50/43/32/701504332.db2.gz KZPFLYIVHSIPEM-INIZCTEOSA-N 0 3 315.417 1.746 20 10 DDCDHN C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[N@@H+]1CCO ZINC000816574570 702116500 /nfs/dbraw/zinc/11/65/00/702116500.db2.gz MKQOIRAJAPYGED-JTQLQIEISA-N 0 3 302.777 1.683 20 10 DDCDHN C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[N@H+]1CCO ZINC000816574570 702116502 /nfs/dbraw/zinc/11/65/02/702116502.db2.gz MKQOIRAJAPYGED-JTQLQIEISA-N 0 3 302.777 1.683 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNCCS(=O)(=O)NC(C)C ZINC000840934926 702285738 /nfs/dbraw/zinc/28/57/38/702285738.db2.gz ZSRQDEBOUATCOC-UHFFFAOYSA-N 0 3 313.467 1.478 20 10 DDCDHN [O-]c1c(Br)cccc1CNC[C@H]1C[NH2+]CCCO1 ZINC000841085639 702340178 /nfs/dbraw/zinc/34/01/78/702340178.db2.gz JDNNEKFVTHLZGL-LLVKDONJSA-N 0 3 315.211 1.623 20 10 DDCDHN COC[C@@]1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCCN1 ZINC000817975449 702540951 /nfs/dbraw/zinc/54/09/51/702540951.db2.gz UWGUWWZVBKJHJU-NHYWBVRUSA-N 0 3 309.366 1.720 20 10 DDCDHN COc1cc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c(O)cc1C ZINC000842644807 702749320 /nfs/dbraw/zinc/74/93/20/702749320.db2.gz RKJPTPIEUNKYOG-YPMHNXCESA-N 0 3 306.362 1.640 20 10 DDCDHN Nc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000843126701 702824944 /nfs/dbraw/zinc/82/49/44/702824944.db2.gz USODHLGRVNKXLD-UHFFFAOYSA-N 0 3 316.380 1.929 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)c([O-])c1 ZINC000866571555 706732552 /nfs/dbraw/zinc/73/25/52/706732552.db2.gz CUEIAHROSRADRB-LLVKDONJSA-N 0 3 300.424 1.666 20 10 DDCDHN CCn1nnc(C)c1CN[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850347346 703725805 /nfs/dbraw/zinc/72/58/05/703725805.db2.gz QPJLPGFCQKACQO-CQSZACIVSA-N 0 3 315.421 1.984 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)CC(C)C)C2)cc1 ZINC000852844483 704145120 /nfs/dbraw/zinc/14/51/20/704145120.db2.gz VBRQGCVJTFVVIN-CJNGLKHVSA-N 0 3 305.422 1.764 20 10 DDCDHN O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCN1C1CCCC1 ZINC000821061430 704366054 /nfs/dbraw/zinc/36/60/54/704366054.db2.gz XEYULADBYAZXDN-CQSZACIVSA-N 0 3 304.390 1.773 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000855229079 704474220 /nfs/dbraw/zinc/47/42/20/704474220.db2.gz HKUCNSXYMSVMQK-YOEHRIQHSA-N 0 3 319.449 1.976 20 10 DDCDHN CN(C)CCN(CC(=O)N(C)C)Cc1ccc(N(C)C)cc1 ZINC000827157867 705942040 /nfs/dbraw/zinc/94/20/40/705942040.db2.gz KBJIGTSMMZXYFE-UHFFFAOYSA-N 0 3 306.454 1.204 20 10 DDCDHN CCN(CC)C(=O)CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000876985967 705949635 /nfs/dbraw/zinc/94/96/35/705949635.db2.gz YJBLSSBGCNSCHS-UHFFFAOYSA-N 0 3 319.449 1.606 20 10 DDCDHN Cc1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c([O-])c1 ZINC000877075392 705977340 /nfs/dbraw/zinc/97/73/40/705977340.db2.gz BDIUQMCMLJRKPV-CXAGYDPISA-N 0 3 317.389 1.511 20 10 DDCDHN COc1cccc([O-])c1C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000827741603 706060780 /nfs/dbraw/zinc/06/07/80/706060780.db2.gz WUFRETDRYSKLAV-UHFFFAOYSA-N 0 3 306.362 1.817 20 10 DDCDHN Cc1ccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c([O-])c1 ZINC000877584818 706149905 /nfs/dbraw/zinc/14/99/05/706149905.db2.gz ZUWDRHGRSBKNJM-UHFFFAOYSA-N 0 3 320.433 1.672 20 10 DDCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H](O)C(F)(F)F ZINC000865711838 706503352 /nfs/dbraw/zinc/50/33/52/706503352.db2.gz RTDNGBUNFOJDNN-RISCZKNCSA-N 0 3 318.339 1.925 20 10 DDCDHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(OC)cc2O)C1(C)C ZINC000832177643 706862190 /nfs/dbraw/zinc/86/21/90/706862190.db2.gz CTHDFEWRUFQQEP-RHSMWYFYSA-N 0 3 322.405 1.550 20 10 DDCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(CC3CC3)C2)cc1F ZINC000883403446 707991889 /nfs/dbraw/zinc/99/18/89/707991889.db2.gz SYBJGPVZPJMBBY-CQSZACIVSA-N 0 3 305.397 1.992 20 10 DDCDHN CCN1CCC[C@H](NCc2ccc(OC)c(OC)c2O)C1=O ZINC000896728571 708133307 /nfs/dbraw/zinc/13/33/07/708133307.db2.gz CAZWSLHKOYKNEH-LBPRGKRZSA-N 0 3 308.378 1.510 20 10 DDCDHN C[C@H](NC(=O)[C@@H](N)CC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000884202564 708187011 /nfs/dbraw/zinc/18/70/11/708187011.db2.gz BNJNCPRCHCABHS-GUYCJALGSA-N 0 3 317.433 1.828 20 10 DDCDHN CC(C)[C@@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247789 710140695 /nfs/dbraw/zinc/14/06/95/710140695.db2.gz KMWGLNPCFYIKNP-JKSUJKDBSA-N 0 3 307.438 1.488 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)CO)N(C)C)cc1 ZINC000891249715 710141936 /nfs/dbraw/zinc/14/19/36/710141936.db2.gz VTWHPYNRNKSZTN-OAHLLOKOSA-N 0 3 307.438 1.490 20 10 DDCDHN CCCOCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254796 710143419 /nfs/dbraw/zinc/14/34/19/710143419.db2.gz JPEDDNOLRYMBAB-INIZCTEOSA-N 0 3 307.438 1.898 20 10 DDCDHN COC(=O)c1c(CNCCN2CCC2)c2cc(F)ccc2n1C ZINC000894354293 711083594 /nfs/dbraw/zinc/08/35/94/711083594.db2.gz KGFIXKAYKPMDKM-UHFFFAOYSA-N 0 3 319.380 1.899 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)c1[O-] ZINC000895576920 711548085 /nfs/dbraw/zinc/54/80/85/711548085.db2.gz WUJVZXCAORZTJZ-BETUJISGSA-N 0 3 324.808 1.964 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)c1[O-] ZINC000895576920 711548089 /nfs/dbraw/zinc/54/80/89/711548089.db2.gz WUJVZXCAORZTJZ-BETUJISGSA-N 0 3 324.808 1.964 20 10 DDCDHN O[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)C1(O)CCC1 ZINC000905055293 711922196 /nfs/dbraw/zinc/92/21/96/711922196.db2.gz PDQBTBFXXLQVGA-INIZCTEOSA-N 0 3 324.396 1.028 20 10 DDCDHN OC1CCN(c2ccc(CNCC3OCCCO3)cc2)CC1 ZINC000922278124 714010033 /nfs/dbraw/zinc/01/00/33/714010033.db2.gz GAWYCRFRJMWZJL-UHFFFAOYSA-N 0 3 306.406 1.500 20 10 DDCDHN CCN1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1=O ZINC000922639271 714108683 /nfs/dbraw/zinc/10/86/83/714108683.db2.gz NTEJSAHMSUXHRO-QGZVFWFLSA-N 0 3 317.433 1.624 20 10 DDCDHN COc1cc(C)c(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c([O-])c1 ZINC001181959569 743411791 /nfs/dbraw/zinc/41/17/91/743411791.db2.gz WRRYJCCWKVAYOB-WBVHZDCISA-N 0 3 306.406 1.614 20 10 DDCDHN COc1cc(C)c(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c([O-])c1 ZINC001181959569 743411796 /nfs/dbraw/zinc/41/17/96/743411796.db2.gz WRRYJCCWKVAYOB-WBVHZDCISA-N 0 3 306.406 1.614 20 10 DDCDHN COC(=O)[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C[C@@H]1C(=O)OC ZINC001173562099 777240648 /nfs/dbraw/zinc/24/06/48/777240648.db2.gz ACZCLNXLKLXASK-OXHZDVMGSA-N 0 3 321.373 1.784 20 10 DDCDHN CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(OC)cc1[O-])CC2 ZINC001272625470 846423500 /nfs/dbraw/zinc/42/35/00/846423500.db2.gz KOZYDPMZWBWNAS-CQSZACIVSA-N 0 3 304.390 1.749 20 10 DDCDHN C[C@@H]1[C@H](CO)CCN1Cc1ccc(N2CCOCC2)cc1F ZINC001140660361 860669488 /nfs/dbraw/zinc/66/94/88/860669488.db2.gz PLAQEEKPYXTHOU-HIFRSBDPSA-N 0 3 308.397 1.865 20 10 DDCDHN Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)CCN3C)c([O-])c1 ZINC001140952441 860746109 /nfs/dbraw/zinc/74/61/09/860746109.db2.gz SAEHYEXUELGFCA-UHFFFAOYSA-N 0 3 317.433 1.439 20 10 DDCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(OC)c1 ZINC001141028418 860765017 /nfs/dbraw/zinc/76/50/17/860765017.db2.gz NRGDRLBGDBZYHA-CYBMUJFWSA-N 0 3 322.405 1.316 20 10 DDCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c(OC)c1 ZINC001141028418 860765023 /nfs/dbraw/zinc/76/50/23/860765023.db2.gz NRGDRLBGDBZYHA-CYBMUJFWSA-N 0 3 322.405 1.316 20 10 DDCDHN C[C@@H]1OCC[C@@]1(O)CNCc1cc(F)c(N(C)C)cc1F ZINC001328701723 863156207 /nfs/dbraw/zinc/15/62/07/863156207.db2.gz FTYWETWMVFXJPT-ZUZCIYMTSA-N 0 3 300.349 1.660 20 10 DDCDHN NC(=O)N1CCCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320494717 866777654 /nfs/dbraw/zinc/77/76/54/866777654.db2.gz WZGVALDOGICPMH-UHFFFAOYSA-N 0 3 302.422 1.873 20 10 DDCDHN CN1CCN(c2ccc(CN3CCC[C@H](CO)C3)cc2F)CC1 ZINC001324167224 867118311 /nfs/dbraw/zinc/11/83/11/867118311.db2.gz MDRUFDXRLDCVLB-INIZCTEOSA-N 0 3 321.440 1.782 20 10 DDCDHN C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC001334327951 867487298 /nfs/dbraw/zinc/48/72/98/867487298.db2.gz XGNCCQALYHQNEQ-CJNGLKHVSA-N 0 3 308.447 1.810 20 10 DDCDHN CC(=O)N1CCC2(CC1)CN(Cc1ccccc1O)CCO2 ZINC001203552299 870636796 /nfs/dbraw/zinc/63/67/96/870636796.db2.gz IHCUWXOTXDFIKG-UHFFFAOYSA-N 0 3 304.390 1.606 20 10 DDCDHN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204273121 871031586 /nfs/dbraw/zinc/03/15/86/871031586.db2.gz YZBRESMSNPYCKK-GXTWGEPZSA-N 0 3 312.369 1.879 20 10 DDCDHN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204273121 871031606 /nfs/dbraw/zinc/03/16/06/871031606.db2.gz YZBRESMSNPYCKK-GXTWGEPZSA-N 0 3 312.369 1.879 20 10 DDCDHN [NH3+][C@@H]1CCN(Cc2c([O-])cccc2Br)C[C@H]1O ZINC001205960107 871955169 /nfs/dbraw/zinc/95/51/69/871955169.db2.gz ZOEDLABDQYNSIU-ZYHUDNBSSA-N 0 3 301.184 1.049 20 10 DDCDHN COc1ccc(CN2CC3(C2)SCC[C@@H]3C(N)=O)c(O)c1 ZINC001277454246 884446290 /nfs/dbraw/zinc/44/62/90/884446290.db2.gz OVHWOQOCTDTVSX-GFCCVEGCSA-N 0 3 308.403 1.194 20 10 DDCDHN COc1cc(CN2CCC[C@H](n3cncn3)C2)c(O)cc1O ZINC001231637596 885774668 /nfs/dbraw/zinc/77/46/68/885774668.db2.gz NPFGJZPPCZDZQE-LBPRGKRZSA-N 0 3 304.350 1.535 20 10 DDCDHN COC[C@H]1CCN1Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236945093 889435096 /nfs/dbraw/zinc/43/50/96/889435096.db2.gz HWKAVBQRGUSRGR-MRXNPFEDSA-N 0 3 307.413 1.798 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c([O-])c1 ZINC001237046874 889478419 /nfs/dbraw/zinc/47/84/19/889478419.db2.gz HNNJFXUYSAFTQW-AWEZNQCLSA-N 0 3 304.390 1.988 20 10 DDCDHN CCOc1ccc(C[N@H+]2CCC(=O)N3CCC[C@H]3C2)c([O-])c1 ZINC001237046874 889478426 /nfs/dbraw/zinc/47/84/26/889478426.db2.gz HNNJFXUYSAFTQW-AWEZNQCLSA-N 0 3 304.390 1.988 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3c(C)cccc3[O-])CC[C@@H]21 ZINC001237487264 889666649 /nfs/dbraw/zinc/66/66/49/889666649.db2.gz XIUAWDKDDWVUPC-FUHWJXTLSA-N 0 3 318.417 1.912 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3c(C)cccc3[O-])CC[C@@H]21 ZINC001237487264 889666652 /nfs/dbraw/zinc/66/66/52/889666652.db2.gz XIUAWDKDDWVUPC-FUHWJXTLSA-N 0 3 318.417 1.912 20 10 DDCDHN Cc1ccc(OC[C@@H](O)CNCc2ccc(O)c(O)c2)cc1 ZINC001253842281 896136794 /nfs/dbraw/zinc/13/67/94/896136794.db2.gz HMUHMXMWBIQKKU-AWEZNQCLSA-N 0 3 303.358 1.936 20 10 DDCDHN CCOc1cccc(C[NH2+]C2CCN(CC(=O)NC)CC2)c1[O-] ZINC000236921478 202072333 /nfs/dbraw/zinc/07/23/33/202072333.db2.gz SZPUDSKYZBUIJX-UHFFFAOYSA-N 0 3 321.421 1.091 20 10 DDCDHN Cc1cccc(CN[C@@H]2CCN(c3ccn(C)n3)C2=O)c1O ZINC000362034683 223540737 /nfs/dbraw/zinc/54/07/37/223540737.db2.gz YOVAMOMJXIZORO-CYBMUJFWSA-N 0 3 300.362 1.329 20 10 DDCDHN CNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273415972 130118417 /nfs/dbraw/zinc/11/84/17/130118417.db2.gz QYBUVJPZXPBMGQ-CQSZACIVSA-N 0 3 319.449 1.870 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+]CC(=O)NC2CC2)c1[O-] ZINC000297410667 132014324 /nfs/dbraw/zinc/01/43/24/132014324.db2.gz LJDAUFHGZKAMEJ-UHFFFAOYSA-N 0 3 313.195 1.831 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)c([O-])c1 ZINC000186054753 407570041 /nfs/dbraw/zinc/57/00/41/407570041.db2.gz JKMKBMVWQLQJKB-WFASDCNBSA-N 0 3 314.389 1.890 20 10 DDCDHN CN(C)c1ccc(CN2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000093817284 407201899 /nfs/dbraw/zinc/20/18/99/407201899.db2.gz TXCHSCCQJCUPMX-QGZVFWFLSA-N 0 3 303.450 1.907 20 10 DDCDHN Cc1cc(O)c(CN2CCCN(CC(=O)N(C)C)CC2)cc1C ZINC000129369437 407605998 /nfs/dbraw/zinc/60/59/98/407605998.db2.gz GHLUUAHGDYWYKE-UHFFFAOYSA-N 0 3 319.449 1.605 20 10 DDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000186166484 407593216 /nfs/dbraw/zinc/59/32/16/407593216.db2.gz WMMLSGDTLHPPST-OLZOCXBDSA-N 0 3 312.435 1.633 20 10 DDCDHN COCC[N@H+](CCO)Cc1cc(Br)cc(C)c1[O-] ZINC000271719752 407727914 /nfs/dbraw/zinc/72/79/14/407727914.db2.gz JIWLSZRRFKRDDD-UHFFFAOYSA-N 0 3 318.211 1.904 20 10 DDCDHN COCC[N@@H+](CCO)Cc1cc(Br)cc(C)c1[O-] ZINC000271719752 407727918 /nfs/dbraw/zinc/72/79/18/407727918.db2.gz JIWLSZRRFKRDDD-UHFFFAOYSA-N 0 3 318.211 1.904 20 10 DDCDHN Cc1cccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1[O-] ZINC000179590934 407810875 /nfs/dbraw/zinc/81/08/75/407810875.db2.gz ZVCYEXANMFWMCR-UHFFFAOYSA-N 0 3 318.417 1.771 20 10 DDCDHN CC[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(C)C ZINC000268709374 408169805 /nfs/dbraw/zinc/16/98/05/408169805.db2.gz CNUGHTPMEXTMRA-INIZCTEOSA-N 0 3 305.422 1.480 20 10 DDCDHN Cc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c([O-])c1O ZINC000182840448 408262817 /nfs/dbraw/zinc/26/28/17/408262817.db2.gz UDQDYWLDJRGDPO-TZMCWYRMSA-N 0 3 304.390 1.963 20 10 DDCDHN Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c([O-])c1O ZINC000182840448 408262822 /nfs/dbraw/zinc/26/28/22/408262822.db2.gz UDQDYWLDJRGDPO-TZMCWYRMSA-N 0 3 304.390 1.963 20 10 DDCDHN CC[C@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000269248850 408234841 /nfs/dbraw/zinc/23/48/41/408234841.db2.gz NTMYAYBNZLMGBW-ZOWXZIJZSA-N 0 3 323.412 1.793 20 10 DDCDHN CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000292803849 409042721 /nfs/dbraw/zinc/04/27/21/409042721.db2.gz VSUHGUJOMPVUQQ-NSHDSACASA-N 0 3 308.378 1.763 20 10 DDCDHN COc1c([O-])c(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278570051 409084851 /nfs/dbraw/zinc/08/48/51/409084851.db2.gz CNZSFMXRAMZELQ-NSHDSACASA-N 0 3 321.377 1.883 20 10 DDCDHN COc1c([O-])c(CNC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278570051 409084852 /nfs/dbraw/zinc/08/48/52/409084852.db2.gz CNZSFMXRAMZELQ-NSHDSACASA-N 0 3 321.377 1.883 20 10 DDCDHN COc1c([O-])c(CNC[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278570051 409084853 /nfs/dbraw/zinc/08/48/53/409084853.db2.gz CNZSFMXRAMZELQ-NSHDSACASA-N 0 3 321.377 1.883 20 10 DDCDHN COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000278721223 409086661 /nfs/dbraw/zinc/08/66/61/409086661.db2.gz POGMQQNHOOWFIE-HOCLYGCPSA-N 0 3 309.406 1.546 20 10 DDCDHN COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000278721223 409086664 /nfs/dbraw/zinc/08/66/64/409086664.db2.gz POGMQQNHOOWFIE-HOCLYGCPSA-N 0 3 309.406 1.546 20 10 DDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1 ZINC000289702488 409284453 /nfs/dbraw/zinc/28/44/53/409284453.db2.gz OPFUVNOLJUIYLZ-SUMWQHHRSA-N 0 3 317.389 1.653 20 10 DDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1 ZINC000289702488 409284455 /nfs/dbraw/zinc/28/44/55/409284455.db2.gz OPFUVNOLJUIYLZ-SUMWQHHRSA-N 0 3 317.389 1.653 20 10 DDCDHN C[C@@H](NC1CC1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000295343057 409441836 /nfs/dbraw/zinc/44/18/36/409441836.db2.gz BLBGFRSGXSXXMJ-GFCCVEGCSA-N 0 3 321.396 1.419 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000296590413 409625829 /nfs/dbraw/zinc/62/58/29/409625829.db2.gz UXSAWPYHWALCGD-NWDGAFQWSA-N 0 3 300.424 1.679 20 10 DDCDHN CS(=O)(=O)N1CC[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296701462 409631853 /nfs/dbraw/zinc/63/18/53/409631853.db2.gz HRQXRCZKYCCSGR-YPMHNXCESA-N 0 3 310.419 1.251 20 10 DDCDHN C[C@H](N(C)CC(=O)NCc1ccc(N(C)C)cc1)C(C)(C)O ZINC000298395769 410209414 /nfs/dbraw/zinc/20/94/14/410209414.db2.gz OMNAPLVAUSHVCJ-ZDUSSCGKSA-N 0 3 307.438 1.460 20 10 DDCDHN CN1CCc2cc(CNC(=O)NC[C@H]3CCCN3C)ccc21 ZINC000373600538 418443274 /nfs/dbraw/zinc/44/32/74/418443274.db2.gz ZYEMJHKFVXRHMA-OAHLLOKOSA-N 0 3 302.422 1.572 20 10 DDCDHN Cc1cccc(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)c1[O-] ZINC000374728477 418558188 /nfs/dbraw/zinc/55/81/88/418558188.db2.gz DLYFSLXTUXCPNJ-UHFFFAOYSA-N 0 3 317.433 1.439 20 10 DDCDHN O=C1C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@@H]2CCCCN12 ZINC000369212355 418730312 /nfs/dbraw/zinc/73/03/12/418730312.db2.gz DEKWZZBUZUDGNR-RYUDHWBXSA-N 0 3 304.346 1.364 20 10 DDCDHN CC[C@@H](c1ccccc1O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000369927586 418739173 /nfs/dbraw/zinc/73/91/73/418739173.db2.gz ARYMDCAGVQTGPQ-UONOGXRCSA-N 0 3 317.389 1.812 20 10 DDCDHN CCOc1cccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1[O-] ZINC000529669616 421550767 /nfs/dbraw/zinc/55/07/67/421550767.db2.gz ZTNNMVHWLYFBQC-CALCHBBNSA-N 0 3 309.406 1.604 20 10 DDCDHN CCOc1cccc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1[O-] ZINC000529669616 421550768 /nfs/dbraw/zinc/55/07/68/421550768.db2.gz ZTNNMVHWLYFBQC-CALCHBBNSA-N 0 3 309.406 1.604 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c1[O-] ZINC000366568509 274095237 /nfs/dbraw/zinc/09/52/37/274095237.db2.gz WUJRLRMPARCZEV-QWRGUYRKSA-N 0 3 324.764 1.149 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c1[O-] ZINC000366568509 274095238 /nfs/dbraw/zinc/09/52/38/274095238.db2.gz WUJRLRMPARCZEV-QWRGUYRKSA-N 0 3 324.764 1.149 20 10 DDCDHN CS[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1N(C)C ZINC000272676052 278148068 /nfs/dbraw/zinc/14/80/68/278148068.db2.gz RFDNVIPAQSWKPI-SPYVTISKSA-N 0 3 322.430 1.615 20 10 DDCDHN C[C@@H](N[C@@H](C)C(=O)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000188991082 525588003 /nfs/dbraw/zinc/58/80/03/525588003.db2.gz RZTWPKFZEDJJNN-OLZOCXBDSA-N 0 3 323.412 1.790 20 10 DDCDHN COCCN(CCC(=O)OC)Cc1ccc(N(C)C)c(F)c1 ZINC000126434532 696762116 /nfs/dbraw/zinc/76/21/16/696762116.db2.gz SSUOXOXCWLLESP-UHFFFAOYSA-N 0 3 312.385 1.903 20 10 DDCDHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(C)c(O)c1O ZINC000177681334 697415113 /nfs/dbraw/zinc/41/51/13/697415113.db2.gz VAXQFWMGOXNOHA-GFCCVEGCSA-N 0 3 308.378 1.247 20 10 DDCDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000179495651 697438198 /nfs/dbraw/zinc/43/81/98/697438198.db2.gz QVLJPIQNNATIFF-ZDUSSCGKSA-N 0 3 321.421 1.162 20 10 DDCDHN COCCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774479587 697884076 /nfs/dbraw/zinc/88/40/76/697884076.db2.gz PUFRMHHIKDENOI-KBPBESRZSA-N 0 3 307.438 1.944 20 10 DDCDHN CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]Cc2ccccc2[O-])C1 ZINC000705073820 699239503 /nfs/dbraw/zinc/23/95/03/699239503.db2.gz BHZATKHVKDZXKA-KRWDZBQOSA-N 0 3 322.405 1.854 20 10 DDCDHN CS(=O)(=O)N1CCCC[C@H]1CNCc1ccc2c(c1)CCO2 ZINC000796508756 699936700 /nfs/dbraw/zinc/93/67/00/699936700.db2.gz CNHZGCFTBHUQQT-HNNXBMFYSA-N 0 3 324.446 1.525 20 10 DDCDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NC ZINC000801595497 700325643 /nfs/dbraw/zinc/32/56/43/700325643.db2.gz MMFARRBXWQKEBN-GFCCVEGCSA-N 0 3 307.394 1.838 20 10 DDCDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NC ZINC000801595497 700325646 /nfs/dbraw/zinc/32/56/46/700325646.db2.gz MMFARRBXWQKEBN-GFCCVEGCSA-N 0 3 307.394 1.838 20 10 DDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000809770955 701688054 /nfs/dbraw/zinc/68/80/54/701688054.db2.gz BTGSQCZHIKWFSE-ZDUSSCGKSA-N 0 3 304.390 1.845 20 10 DDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000809770955 701688056 /nfs/dbraw/zinc/68/80/56/701688056.db2.gz BTGSQCZHIKWFSE-ZDUSSCGKSA-N 0 3 304.390 1.845 20 10 DDCDHN CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768440104 701176906 /nfs/dbraw/zinc/17/69/06/701176906.db2.gz NZBAWVSOEHULIZ-LRDDRELGSA-N 0 3 320.389 1.166 20 10 DDCDHN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768440104 701176907 /nfs/dbraw/zinc/17/69/07/701176907.db2.gz NZBAWVSOEHULIZ-LRDDRELGSA-N 0 3 320.389 1.166 20 10 DDCDHN COC(=O)[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000768461536 701179158 /nfs/dbraw/zinc/17/91/58/701179158.db2.gz WGLYPDHPKCTCDG-CQSZACIVSA-N 0 3 322.380 1.657 20 10 DDCDHN CNC(=O)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768465629 701180379 /nfs/dbraw/zinc/18/03/79/701180379.db2.gz JOBKERVKSAFHTM-HNNXBMFYSA-N 0 3 320.389 1.166 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)NC[C@H]2CCCO2)c1 ZINC000839539024 701730017 /nfs/dbraw/zinc/73/00/17/701730017.db2.gz HIQCVPAWEFANNP-WCQYABFASA-N 0 3 308.378 1.347 20 10 DDCDHN NC(=O)C[C@@H](NCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000815153074 701816821 /nfs/dbraw/zinc/81/68/21/701816821.db2.gz BEALJKQWDFAPLM-CYBMUJFWSA-N 0 3 314.341 1.827 20 10 DDCDHN FC1(F)CCNC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000841075786 702337302 /nfs/dbraw/zinc/33/73/02/702337302.db2.gz WUQSZTUXUDHZNA-OAHLLOKOSA-N 0 3 311.376 1.610 20 10 DDCDHN CC(=O)N[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000817412906 702372938 /nfs/dbraw/zinc/37/29/38/702372938.db2.gz QODRLAJMBQTNGQ-MRXNPFEDSA-N 0 3 303.406 1.234 20 10 DDCDHN CCN1CCN(CC(C)(C)NC(=O)Nc2ccc(N)cc2)CC1 ZINC000841299165 702416900 /nfs/dbraw/zinc/41/69/00/702416900.db2.gz VRQKUHCGHJEOLV-UHFFFAOYSA-N 0 3 319.453 1.806 20 10 DDCDHN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H](C)CN1 ZINC000841758781 702557516 /nfs/dbraw/zinc/55/75/16/702557516.db2.gz DDQGRMHBFFYUFL-NEPJUHHUSA-N 0 3 308.401 1.784 20 10 DDCDHN [O-]c1ccccc1C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000843118538 702822889 /nfs/dbraw/zinc/82/28/89/702822889.db2.gz KHJXHZJFJNDGDD-UHFFFAOYSA-N 0 3 313.405 1.467 20 10 DDCDHN COc1ccc(N(C)CCN(C)CCN2CCOC2=O)cc1 ZINC000844399830 703026158 /nfs/dbraw/zinc/02/61/58/703026158.db2.gz PKGFOJDCHFGDQR-UHFFFAOYSA-N 0 3 307.394 1.515 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCN(S(C)(=O)=O)C1 ZINC000846031061 703229059 /nfs/dbraw/zinc/22/90/59/703229059.db2.gz IRAYBHWTMVZUPF-AWEZNQCLSA-N 0 3 311.451 1.185 20 10 DDCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000879651868 706749948 /nfs/dbraw/zinc/74/99/48/706749948.db2.gz NOAZPPBVMVTMIK-YNEHKIRRSA-N 0 3 319.405 1.155 20 10 DDCDHN C[C@@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1ccccc1[O-] ZINC000879649094 706749362 /nfs/dbraw/zinc/74/93/62/706749362.db2.gz LQBVNHMKBJPFBJ-GFCCVEGCSA-N 0 3 302.378 1.435 20 10 DDCDHN COc1ccc(N2CC[C@@H](N[C@H]3CCCS(=O)(=O)C3)C2)cc1 ZINC000850487146 703733552 /nfs/dbraw/zinc/73/35/52/703733552.db2.gz GLIYLWWIGWXUJX-KGLIPLIRSA-N 0 3 324.446 1.441 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)C(N)C(F)(F)F)C2)cc1 ZINC000852844660 704145214 /nfs/dbraw/zinc/14/52/14/704145214.db2.gz YMAYVPWJFNEOOC-SKDRFNHKSA-N 0 3 317.311 1.280 20 10 DDCDHN Cc1ccc(C[NH+]2CCC(C(=O)NCCCO)CC2)c([O-])c1 ZINC000876577580 705766629 /nfs/dbraw/zinc/76/66/29/705766629.db2.gz FKBUSFXNCRFZRX-UHFFFAOYSA-N 0 3 306.406 1.411 20 10 DDCDHN CCCNC(=O)CN1CCC([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000876930520 705928833 /nfs/dbraw/zinc/92/88/33/705928833.db2.gz PZCVIDVDTCHSTK-UHFFFAOYSA-N 0 3 319.449 1.781 20 10 DDCDHN COc1ccc(N2CCCN(C(=O)[C@@H](N)C3CCC3)CC2)cc1 ZINC000827459050 706006598 /nfs/dbraw/zinc/00/65/98/706006598.db2.gz RQEWWRXWHNNAMB-KRWDZBQOSA-N 0 3 317.433 1.861 20 10 DDCDHN CCC[N@H+](CCN1C(=O)N[C@@H](C)C1=O)Cc1ccccc1[O-] ZINC000838858713 707990771 /nfs/dbraw/zinc/99/07/71/707990771.db2.gz CXZMZOFOAYHJOZ-LBPRGKRZSA-N 0 3 305.378 1.545 20 10 DDCDHN CCC[N@@H+](CCN1C(=O)N[C@@H](C)C1=O)Cc1ccccc1[O-] ZINC000838858713 707990773 /nfs/dbraw/zinc/99/07/73/707990773.db2.gz CXZMZOFOAYHJOZ-LBPRGKRZSA-N 0 3 305.378 1.545 20 10 DDCDHN CCn1ncnc1CNC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898447227 708642882 /nfs/dbraw/zinc/64/28/82/708642882.db2.gz HNUIMZUTLYRGSQ-MRXNPFEDSA-N 0 3 316.453 1.757 20 10 DDCDHN CC(C)OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255190 710143769 /nfs/dbraw/zinc/14/37/69/710143769.db2.gz NMFQKAZCVZNQDI-MRXNPFEDSA-N 0 3 307.438 1.897 20 10 DDCDHN CN(C)c1ccc(CNC(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000891606216 710246785 /nfs/dbraw/zinc/24/67/85/710246785.db2.gz HPZHITVHKBLQGT-MRXNPFEDSA-N 0 3 304.438 1.988 20 10 DDCDHN CCN(CC)c1ccc(CN2C[C@@H](O)C[C@]2(C)CO)cc1F ZINC000895327158 711485329 /nfs/dbraw/zinc/48/53/29/711485329.db2.gz APONLRWMALHVFC-WMLDXEAASA-N 0 3 310.413 1.990 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000914150649 713349007 /nfs/dbraw/zinc/34/90/07/713349007.db2.gz PZKBSFUTNZAUPA-RYUDHWBXSA-N 0 3 307.369 1.957 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000914150649 713349009 /nfs/dbraw/zinc/34/90/09/713349009.db2.gz PZKBSFUTNZAUPA-RYUDHWBXSA-N 0 3 307.369 1.957 20 10 DDCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000924904197 714693429 /nfs/dbraw/zinc/69/34/29/714693429.db2.gz ZYVJOFLAAGXANP-GFCCVEGCSA-N 0 3 312.435 1.542 20 10 DDCDHN CC(C)CN1C[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272618026 846415060 /nfs/dbraw/zinc/41/50/60/846415060.db2.gz AEYWPVVDMHKMKA-GOSISDBHSA-N 0 3 318.417 1.852 20 10 DDCDHN CC(C)CN1C[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272618026 846415070 /nfs/dbraw/zinc/41/50/70/846415070.db2.gz AEYWPVVDMHKMKA-GOSISDBHSA-N 0 3 318.417 1.852 20 10 DDCDHN Oc1ccc(O)c(CN2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c1 ZINC001275418553 853096766 /nfs/dbraw/zinc/09/67/66/853096766.db2.gz FRHNRAZFQMGETK-AEFFLSMTSA-N 0 3 318.417 1.925 20 10 DDCDHN CN1CCOc2cc(CN3CCC4(CNC(=O)O4)CC3)ccc21 ZINC001141143835 860795066 /nfs/dbraw/zinc/79/50/66/860795066.db2.gz MCZDCBZZUCGYPP-UHFFFAOYSA-N 0 3 317.389 1.590 20 10 DDCDHN Cc1cc(Br)cc(C[NH2+][C@]2(C)CCNC2=O)c1[O-] ZINC001334336579 867497407 /nfs/dbraw/zinc/49/74/07/867497407.db2.gz OSXRZBBBBQBTCE-CYBMUJFWSA-N 0 3 313.195 1.831 20 10 DDCDHN CC(=O)OC[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001334936761 867923157 /nfs/dbraw/zinc/92/31/57/867923157.db2.gz QYKJSPLJSJSXSU-GFCCVEGCSA-N 0 3 324.396 1.828 20 10 DDCDHN O=S1(=O)CCCCN1C1CCN(Cc2ccccc2O)CC1 ZINC001203560560 870641308 /nfs/dbraw/zinc/64/13/08/870641308.db2.gz CQMKJQIZUCQEBY-UHFFFAOYSA-N 0 3 324.446 1.782 20 10 DDCDHN O=S1(=O)CCCCN1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203560560 870641316 /nfs/dbraw/zinc/64/13/16/870641316.db2.gz CQMKJQIZUCQEBY-UHFFFAOYSA-N 0 3 324.446 1.782 20 10 DDCDHN CC(=O)N1CCO[C@@H]2CCN(Cc3ccc(O)c(O)c3)CC[C@H]21 ZINC001203879029 870816478 /nfs/dbraw/zinc/81/64/78/870816478.db2.gz ZGKQCFKCBVCALS-RHSMWYFYSA-N 0 3 320.389 1.310 20 10 DDCDHN COc1cc(N2CCN([C@@H](C)[C@H](C)O)CC2)cc(OC)c1OC ZINC001307665774 871449065 /nfs/dbraw/zinc/44/90/65/871449065.db2.gz DBZVJOQNWQRGBI-STQMWFEESA-N 0 3 324.421 1.604 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001341762352 871811306 /nfs/dbraw/zinc/81/13/06/871811306.db2.gz CFNJNJZHZYQIAX-LBPRGKRZSA-N 0 3 306.259 1.690 20 10 DDCDHN COc1cc([O-])c(CN2CC(C)(C[NH3+])C2)cc1Br ZINC001206730308 872540839 /nfs/dbraw/zinc/54/08/39/872540839.db2.gz RFDULODRBWIYNQ-UHFFFAOYSA-N 0 3 315.211 1.944 20 10 DDCDHN CNc1cc(N(C)S(=O)(=O)CCc2ccc(N)cc2)ccn1 ZINC001216335445 876922428 /nfs/dbraw/zinc/92/24/28/876922428.db2.gz RHZFNNBTSAJCRV-UHFFFAOYSA-N 0 3 320.418 1.714 20 10 DDCDHN Cn1ccnc1NC(=O)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2 ZINC001277441814 884297101 /nfs/dbraw/zinc/29/71/01/884297101.db2.gz PRWFQMBMGRUYKR-UHFFFAOYSA-N 0 3 312.373 1.777 20 10 DDCDHN Cc1cccc(CN2C[C@](O)(C(F)(F)F)C[C@H]2CO)c1O ZINC001231591040 885752106 /nfs/dbraw/zinc/75/21/06/885752106.db2.gz QZHBNZUWVAAKII-AAEUAGOBSA-N 0 3 305.296 1.561 20 10 DDCDHN COc1cc(CN2CC[C@H](Oc3ncccn3)C2)c(O)cc1O ZINC001231639269 885778231 /nfs/dbraw/zinc/77/82/31/885778231.db2.gz HHKVVELBFHVNEV-LBPRGKRZSA-N 0 3 317.345 1.550 20 10 DDCDHN COc1cc(CN2CC[C@@H](Oc3cnccn3)C2)c(O)cc1O ZINC001231640198 885778526 /nfs/dbraw/zinc/77/85/26/885778526.db2.gz QUUNBZHAJCBJTG-GFCCVEGCSA-N 0 3 317.345 1.550 20 10 DDCDHN CNC(=O)C1CCN(Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231848009 885904285 /nfs/dbraw/zinc/90/42/85/885904285.db2.gz DOUBZDMLJPSERA-UHFFFAOYSA-N 0 3 305.422 1.719 20 10 DDCDHN COC(=O)c1c(CN2CC[C@@H](CO)C2)c2ccccc2n1C ZINC001232407526 886341944 /nfs/dbraw/zinc/34/19/44/886341944.db2.gz QJNIGMHOIJPZKJ-GFCCVEGCSA-N 0 3 302.374 1.779 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c1[O-] ZINC001233289073 886898702 /nfs/dbraw/zinc/89/87/02/886898702.db2.gz IQUPWAMSXWPIFV-PWSUYJOCSA-N 0 3 310.781 1.574 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c1[O-] ZINC001233289073 886898709 /nfs/dbraw/zinc/89/87/09/886898709.db2.gz IQUPWAMSXWPIFV-PWSUYJOCSA-N 0 3 310.781 1.574 20 10 DDCDHN COc1cc([O-])c(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])c(Cl)c1 ZINC001235999341 889056412 /nfs/dbraw/zinc/05/64/12/889056412.db2.gz ARURZZIHTXFIGF-WYPFBEBGSA-N 0 3 312.797 1.460 20 10 DDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001236043568 889079428 /nfs/dbraw/zinc/07/94/28/889079428.db2.gz YDWYEEIZIIZYBM-XGUBFFRZSA-N 0 3 309.362 1.061 20 10 DDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001236043568 889079441 /nfs/dbraw/zinc/07/94/41/889079441.db2.gz YDWYEEIZIIZYBM-XGUBFFRZSA-N 0 3 309.362 1.061 20 10 DDCDHN CN(Cc1ccc(N2CCN(C)CC2)cc1F)[C@@H]1CCOC1 ZINC001236934082 889429823 /nfs/dbraw/zinc/42/98/23/889429823.db2.gz CHVGKZLVVVRZGO-MRXNPFEDSA-N 0 3 307.413 1.798 20 10 DDCDHN Cc1cc(F)cc(CN2CCC[C@@H](NC(=O)CN(C)C)C2)c1O ZINC001238067332 890009088 /nfs/dbraw/zinc/00/90/88/890009088.db2.gz OFTXMLQRPWSOTD-OAHLLOKOSA-N 0 3 323.412 1.482 20 10 DDCDHN O=C(Nc1cn[nH]c1)C12CC([NH2+]Cc3cc(F)ccc3[O-])(C1)C2 ZINC001278254796 890284469 /nfs/dbraw/zinc/28/44/69/890284469.db2.gz INUAPQUXZXECKN-UHFFFAOYSA-N 0 3 316.336 1.905 20 10 DDCDHN COC(=O)Cc1ccc(CN2CCCC(=O)[C@H](C)C2)c(O)c1 ZINC001249173006 893848041 /nfs/dbraw/zinc/84/80/41/893848041.db2.gz PMQOHZLOTIVPSP-GFCCVEGCSA-N 0 3 305.374 1.909 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CCCOC)cc2=O ZINC000066378582 352993532 /nfs/dbraw/zinc/99/35/32/352993532.db2.gz MQSVNCYXBQVZBP-UHFFFAOYSA-N 0 3 322.365 1.080 20 10 DDCDHN CC(C)[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(C)C ZINC000106460159 194217037 /nfs/dbraw/zinc/21/70/37/194217037.db2.gz QJXAJGCLKFHPCL-QGZVFWFLSA-N 0 3 319.449 1.726 20 10 DDCDHN COc1cccc(CN2CC[C@@H](NC(=O)NC3CC3)C2)c1O ZINC000273809444 130170828 /nfs/dbraw/zinc/17/08/28/130170828.db2.gz YPSDLLTZDYASGC-CYBMUJFWSA-N 0 3 305.378 1.437 20 10 DDCDHN CCCOc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c([O-])c1 ZINC000288651722 131333627 /nfs/dbraw/zinc/33/36/27/131333627.db2.gz VFWDCYLZMIRGGS-SMDDNHRTSA-N 0 3 313.419 1.704 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](C)C1)cc2=O ZINC000299617016 132113077 /nfs/dbraw/zinc/11/30/77/132113077.db2.gz IUZNYWQUBNBZFB-SNVBAGLBSA-N 0 3 304.350 1.453 20 10 DDCDHN CN(C)C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000128099013 407496548 /nfs/dbraw/zinc/49/65/48/407496548.db2.gz DPNQMTPIWZKUNS-SFHVURJKSA-N 0 3 319.449 1.286 20 10 DDCDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccccc2O)CC1 ZINC000179583430 407809557 /nfs/dbraw/zinc/80/95/57/407809557.db2.gz JDDHLRBVRJGIHX-OAHLLOKOSA-N 0 3 303.406 1.131 20 10 DDCDHN CCOc1cccc(C[NH2+]C2(CC(=O)OC)CCOCC2)c1[O-] ZINC000268050864 407868934 /nfs/dbraw/zinc/86/89/34/407868934.db2.gz SOFQICNLSWYAEM-UHFFFAOYSA-N 0 3 323.389 1.993 20 10 DDCDHN CC(C(=O)NCc1c(O)ccc2c1CCCC2)S(C)(=O)=O ZINC000174512721 407956243 /nfs/dbraw/zinc/95/62/43/407956243.db2.gz HNDZUZVRLBJZFQ-SNVBAGLBSA-N 0 3 311.403 1.320 20 10 DDCDHN CCN1CCN(c2ccc(CNC(=O)C(C)(C)N)cc2F)CC1 ZINC000269297679 408256877 /nfs/dbraw/zinc/25/68/77/408256877.db2.gz OTJHCOOIWAKQFD-UHFFFAOYSA-N 0 3 322.428 1.321 20 10 DDCDHN CC[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000183326526 408381471 /nfs/dbraw/zinc/38/14/71/408381471.db2.gz RPUIQWDIJDIZOL-CABCVRRESA-N 0 3 314.389 1.972 20 10 DDCDHN CN(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000264578068 408540895 /nfs/dbraw/zinc/54/08/95/408540895.db2.gz BICPQEGKSYSWQY-OAHLLOKOSA-N 0 3 306.406 1.852 20 10 DDCDHN CN(C)C(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000264578068 408540898 /nfs/dbraw/zinc/54/08/98/408540898.db2.gz BICPQEGKSYSWQY-OAHLLOKOSA-N 0 3 306.406 1.852 20 10 DDCDHN CCOCCOCCN(C)Cc1cc(OC)c(OC)cc1O ZINC000276395856 408849549 /nfs/dbraw/zinc/84/95/49/408849549.db2.gz SRJSDOLVGOKYIM-UHFFFAOYSA-N 0 3 313.394 1.894 20 10 DDCDHN COC(=O)CCCN1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000291305257 408863285 /nfs/dbraw/zinc/86/32/85/408863285.db2.gz XBSXVDUMFPZAGE-UHFFFAOYSA-N 0 3 306.406 1.899 20 10 DDCDHN COc1ccc([O-])c(C[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000277437080 408940075 /nfs/dbraw/zinc/94/00/75/408940075.db2.gz JATKXPMSPYEHLO-UHFFFAOYSA-N 0 3 314.389 1.949 20 10 DDCDHN COc1cc(Cl)cc(CN[C@@H](C)C(=O)NCCF)c1O ZINC000282807808 409063831 /nfs/dbraw/zinc/06/38/31/409063831.db2.gz SLCJMNWWOUDJSY-QMMMGPOBSA-N 0 3 304.749 1.618 20 10 DDCDHN COC[C@@H](NCc1cc(OC)c(OC)cc1O)[C@H]1CCCO1 ZINC000279510976 409228293 /nfs/dbraw/zinc/22/82/93/409228293.db2.gz XFZWIXOOZYRODO-TZMCWYRMSA-N 0 3 311.378 1.693 20 10 DDCDHN COC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])[C@H]1CCCO1 ZINC000279510976 409228296 /nfs/dbraw/zinc/22/82/96/409228296.db2.gz XFZWIXOOZYRODO-TZMCWYRMSA-N 0 3 311.378 1.693 20 10 DDCDHN CCOc1ccc(O)c(CN(C)[C@@H]2CCN3CCO[C@H]2C3)c1 ZINC000295190087 409365243 /nfs/dbraw/zinc/36/52/43/409365243.db2.gz XDCIMRCGZGMGSX-WBVHZDCISA-N 0 3 306.406 1.696 20 10 DDCDHN CCOc1ccc([O-])c(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1 ZINC000295190087 409365247 /nfs/dbraw/zinc/36/52/47/409365247.db2.gz XDCIMRCGZGMGSX-WBVHZDCISA-N 0 3 306.406 1.696 20 10 DDCDHN CCOc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1 ZINC000295190087 409365252 /nfs/dbraw/zinc/36/52/52/409365252.db2.gz XDCIMRCGZGMGSX-WBVHZDCISA-N 0 3 306.406 1.696 20 10 DDCDHN Nc1ccc(CC(=O)Nc2ccc(N3CCNCC3)cn2)cc1 ZINC000296254014 409479366 /nfs/dbraw/zinc/47/93/66/409479366.db2.gz DCGVSHHOSOJDMF-UHFFFAOYSA-N 0 3 311.389 1.255 20 10 DDCDHN CN(C)c1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000367460780 418600924 /nfs/dbraw/zinc/60/09/24/418600924.db2.gz JALIPTRDANCYDU-ZWKOTPCHSA-N 0 3 303.450 1.784 20 10 DDCDHN COCCn1cc(CNCc2ccc3c(c2)CCN3C)cn1 ZINC000375318777 418628150 /nfs/dbraw/zinc/62/81/50/418628150.db2.gz KEALRSYBMFNYHX-UHFFFAOYSA-N 0 3 300.406 1.812 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1 ZINC000368329721 418719101 /nfs/dbraw/zinc/71/91/01/418719101.db2.gz DUIMCWJVQVYPJQ-SWLSCSKDSA-N 0 3 306.406 1.915 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O ZINC000281171641 278244264 /nfs/dbraw/zinc/24/42/64/278244264.db2.gz AEMNDDXSOUPSPH-RISCZKNCSA-N 0 3 322.336 1.664 20 10 DDCDHN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1[O-] ZINC000281171641 278244267 /nfs/dbraw/zinc/24/42/67/278244267.db2.gz AEMNDDXSOUPSPH-RISCZKNCSA-N 0 3 322.336 1.664 20 10 DDCDHN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1[O-] ZINC000281171641 278244270 /nfs/dbraw/zinc/24/42/70/278244270.db2.gz AEMNDDXSOUPSPH-RISCZKNCSA-N 0 3 322.336 1.664 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@H](CO)C(C)(C)C)cc1 ZINC000180632646 522165788 /nfs/dbraw/zinc/16/57/88/522165788.db2.gz TZBSYEWJDNVFFJ-MRXNPFEDSA-N 0 3 321.465 1.708 20 10 DDCDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180240425 523844873 /nfs/dbraw/zinc/84/48/73/523844873.db2.gz RBSRMRIOGIQOJM-HNNXBMFYSA-N 0 3 321.396 1.270 20 10 DDCDHN CN(C)CCN(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000266994435 524060486 /nfs/dbraw/zinc/06/04/86/524060486.db2.gz BDIIGMDWRLCJQE-UHFFFAOYSA-N 0 3 304.438 1.772 20 10 DDCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[O-])[C@H]1OC ZINC000274898590 535507364 /nfs/dbraw/zinc/50/73/64/535507364.db2.gz GHYMQYHMUQJABQ-IUIKQTSFSA-N 0 3 311.378 1.691 20 10 DDCDHN CCO[C@@H]1C[C@H](NCc2cc(OC)c(OC)cc2O)[C@H]1OC ZINC000274898590 535507367 /nfs/dbraw/zinc/50/73/67/535507367.db2.gz GHYMQYHMUQJABQ-IUIKQTSFSA-N 0 3 311.378 1.691 20 10 DDCDHN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000799348108 700138364 /nfs/dbraw/zinc/13/83/64/700138364.db2.gz YNJMSZFJLHQEQJ-MLGOLLRUSA-N 0 3 321.396 1.277 20 10 DDCDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCO[C@@H](C)C2)c1 ZINC000182442323 697475149 /nfs/dbraw/zinc/47/51/49/697475149.db2.gz WZMHAMAPLKMPRE-RYUDHWBXSA-N 0 3 308.378 1.299 20 10 DDCDHN COc1cc(Br)cc(C[NH2+][C@H]2CCN(C)C2)c1[O-] ZINC000729682428 699485124 /nfs/dbraw/zinc/48/51/24/699485124.db2.gz QWTGIFHUTXBDPW-NSHDSACASA-N 0 3 315.211 1.957 20 10 DDCDHN CCCN(C)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000730106042 699501931 /nfs/dbraw/zinc/50/19/31/699501931.db2.gz RCFWMGPGVWPOJE-UHFFFAOYSA-N 0 3 305.422 1.481 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c([O-])c1 ZINC000742391116 699876679 /nfs/dbraw/zinc/87/66/79/699876679.db2.gz DOOKYBNGJUBGQM-NJZAAPMLSA-N 0 3 304.390 1.890 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000796515534 699936953 /nfs/dbraw/zinc/93/69/53/699936953.db2.gz HURMHNBRYWMJHH-UHFFFAOYSA-N 0 3 319.361 1.011 20 10 DDCDHN CN1CCN(c2ccc(CN3C[C@@H]4COC[C@H](C3)O4)cc2)CC1 ZINC000802656110 700415887 /nfs/dbraw/zinc/41/58/87/700415887.db2.gz DNKOMTRKMVOHKP-HDICACEKSA-N 0 3 317.433 1.038 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCS[C@@H]3COCC[C@@H]31)[C@@H](O)CO2 ZINC000768461330 701179216 /nfs/dbraw/zinc/17/92/16/701179216.db2.gz AXFDSVKVEBAHFO-DUVNUKRYSA-N 0 3 323.414 1.524 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCS[C@@H]3COCC[C@@H]31)[C@@H](O)CO2 ZINC000768461330 701179219 /nfs/dbraw/zinc/17/92/19/701179219.db2.gz AXFDSVKVEBAHFO-DUVNUKRYSA-N 0 3 323.414 1.524 20 10 DDCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768461833 701179281 /nfs/dbraw/zinc/17/92/81/701179281.db2.gz FZIHJQSAJBGQOH-FZMZJTMJSA-N 0 3 307.346 1.346 20 10 DDCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768461833 701179282 /nfs/dbraw/zinc/17/92/82/701179282.db2.gz FZIHJQSAJBGQOH-FZMZJTMJSA-N 0 3 307.346 1.346 20 10 DDCDHN COC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H]1C ZINC000768463418 701179907 /nfs/dbraw/zinc/17/99/07/701179907.db2.gz ILWAMMFSPWZHCB-GAJTVXKRSA-N 0 3 307.346 1.059 20 10 DDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H]1C ZINC000768463418 701179909 /nfs/dbraw/zinc/17/99/09/701179909.db2.gz ILWAMMFSPWZHCB-GAJTVXKRSA-N 0 3 307.346 1.059 20 10 DDCDHN COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840185494 702017670 /nfs/dbraw/zinc/01/76/70/702017670.db2.gz PUHROPUKEGMYQG-PBHICJAKSA-N 0 3 321.373 1.593 20 10 DDCDHN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000840185494 702017674 /nfs/dbraw/zinc/01/76/74/702017674.db2.gz PUHROPUKEGMYQG-PBHICJAKSA-N 0 3 321.373 1.593 20 10 DDCDHN CC[C@@H](C)[C@H](N)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846695804 703318957 /nfs/dbraw/zinc/31/89/57/703318957.db2.gz ATLGRLHOVYCCSA-CJNGLKHVSA-N 0 3 307.438 1.963 20 10 DDCDHN C[C@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1ccccc1[O-] ZINC000879651186 706750357 /nfs/dbraw/zinc/75/03/57/706750357.db2.gz LQBVNHMKBJPFBJ-LBPRGKRZSA-N 0 3 302.378 1.435 20 10 DDCDHN CCc1cccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000848885732 703598302 /nfs/dbraw/zinc/59/83/02/703598302.db2.gz MXUUGAUUIJGDCR-SJORKVTESA-N 0 3 304.434 1.986 20 10 DDCDHN Oc1cc2c(cc1CN1CCN([C@H]3CCOC3)CC1)CCC2 ZINC000853551359 704266149 /nfs/dbraw/zinc/26/61/49/704266149.db2.gz VZIYRVBFHVHPPI-KRWDZBQOSA-N 0 3 302.418 1.787 20 10 DDCDHN C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000854642063 704431847 /nfs/dbraw/zinc/43/18/47/704431847.db2.gz IKMNAUZBZWFDSE-STQMWFEESA-N 0 3 306.362 1.033 20 10 DDCDHN C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000854642063 704431848 /nfs/dbraw/zinc/43/18/48/704431848.db2.gz IKMNAUZBZWFDSE-STQMWFEESA-N 0 3 306.362 1.033 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@@H](O)[C@H]2CCCO2)cc1F ZINC000858227644 704682056 /nfs/dbraw/zinc/68/20/56/704682056.db2.gz WLMQRHVYCNWJFB-HUUCEWRRSA-N 0 3 300.349 1.660 20 10 DDCDHN CN1CCN(c2ccc(CN(C3CC3)C3COC3)cc2)CC1 ZINC000824472347 705458877 /nfs/dbraw/zinc/45/88/77/705458877.db2.gz QSVYAEGYCHNVHT-UHFFFAOYSA-N 0 3 301.434 1.802 20 10 DDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CC1(O)CCOCC1 ZINC000878151446 706307450 /nfs/dbraw/zinc/30/74/50/706307450.db2.gz QPRVYMXUZGKEOB-INIZCTEOSA-N 0 3 323.433 1.897 20 10 DDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CC1(O)CCOCC1 ZINC000878151446 706307453 /nfs/dbraw/zinc/30/74/53/706307453.db2.gz QPRVYMXUZGKEOB-INIZCTEOSA-N 0 3 323.433 1.897 20 10 DDCDHN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834774792 707114481 /nfs/dbraw/zinc/11/44/81/707114481.db2.gz ROJRYICHQKESSC-OFQRWUPVSA-N 0 3 307.390 1.790 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)CC3CC3)C2)cc1 ZINC000884398263 708280495 /nfs/dbraw/zinc/28/04/95/708280495.db2.gz ZTFPASBYCDTMPV-CJNGLKHVSA-N 0 3 303.406 1.518 20 10 DDCDHN CN(C)c1ccc([C@@H](CN2C(=O)N[C@@H](CF)C2=O)N(C)C)cc1 ZINC000900185068 709319266 /nfs/dbraw/zinc/31/92/66/709319266.db2.gz JFWAOMIXELZMBR-UONOGXRCSA-N 0 3 322.384 1.245 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC(=O)O2)N(C)C)cc1 ZINC000891246414 710140733 /nfs/dbraw/zinc/14/07/33/710140733.db2.gz NNUAQABBSVLEKD-LSDHHAIUSA-N 0 3 319.405 1.177 20 10 DDCDHN CC(=O)OC[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000892621500 710471381 /nfs/dbraw/zinc/47/13/81/710471381.db2.gz JQCNSBZBOYTWLM-GFCCVEGCSA-N 0 3 310.369 1.704 20 10 DDCDHN COc1ccc(CN2CCC[C@@H](n3ccnn3)C2)c(O)c1OC ZINC000895010488 711365747 /nfs/dbraw/zinc/36/57/47/711365747.db2.gz XRFCMASVRYZOKI-CYBMUJFWSA-N 0 3 318.377 1.838 20 10 DDCDHN CNc1cc(NCc2ccc(N3CCN(C)CC3)cc2)ncn1 ZINC000895144292 711432012 /nfs/dbraw/zinc/43/20/12/711432012.db2.gz ICJUCDAEQLBYRK-UHFFFAOYSA-N 0 3 312.421 1.882 20 10 DDCDHN O=C1NCC2(CCOCC2)[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000895772903 711603000 /nfs/dbraw/zinc/60/30/00/711603000.db2.gz LRFJPXWAFVFTRJ-OAHLLOKOSA-N 0 3 302.374 1.006 20 10 DDCDHN CCN1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](O)C1 ZINC001090839476 772255480 /nfs/dbraw/zinc/25/54/80/772255480.db2.gz MTZKABXFAHQRTH-OLZOCXBDSA-N 0 3 319.365 1.034 20 10 DDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)cc1Cl ZINC001274216297 852042699 /nfs/dbraw/zinc/04/26/99/852042699.db2.gz AMEZEELNHUTYFY-MRXNPFEDSA-N 0 3 324.808 1.787 20 10 DDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)cc1Cl ZINC001274216297 852042704 /nfs/dbraw/zinc/04/27/04/852042704.db2.gz AMEZEELNHUTYFY-MRXNPFEDSA-N 0 3 324.808 1.787 20 10 DDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(CCN(C3COC3)C2=O)C1 ZINC001274304599 852142800 /nfs/dbraw/zinc/14/28/00/852142800.db2.gz VGILGTKOLLCPMF-SFHVURJKSA-N 0 3 316.401 1.524 20 10 DDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(CCN(C3COC3)C2=O)C1 ZINC001274304599 852142814 /nfs/dbraw/zinc/14/28/14/852142814.db2.gz VGILGTKOLLCPMF-SFHVURJKSA-N 0 3 316.401 1.524 20 10 DDCDHN COC[C@H]1COCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139411183 860391194 /nfs/dbraw/zinc/39/11/94/860391194.db2.gz YFXHIDCXAFAZTR-SFHVURJKSA-N 0 3 319.449 1.286 20 10 DDCDHN COc1cc(O)c(CN2CCc3nccn3CC2)c(OC)c1 ZINC001141028858 860767294 /nfs/dbraw/zinc/76/72/94/860767294.db2.gz CNADRSKHNARJSP-UHFFFAOYSA-N 0 3 303.362 1.664 20 10 DDCDHN C[C@@H]1OCC[C@]1(O)CNCc1cc(F)c(N(C)C)cc1F ZINC001328701721 863156403 /nfs/dbraw/zinc/15/64/03/863156403.db2.gz FTYWETWMVFXJPT-BONVTDFDSA-N 0 3 300.349 1.660 20 10 DDCDHN C[C@@H]1C[C@H](O)CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001331398708 865059965 /nfs/dbraw/zinc/05/99/65/865059965.db2.gz KJLLALHSXAIYRN-ZBFHGGJFSA-N 0 3 321.440 1.780 20 10 DDCDHN CN(C)C(=O)NC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203937421 870844136 /nfs/dbraw/zinc/84/41/36/870844136.db2.gz QGKWKDRWIHCZRR-UHFFFAOYSA-N 0 3 304.438 1.988 20 10 DDCDHN CC(C)NC(=O)N[C@H]1CCCN(Cc2ccc(O)cc2O)C1 ZINC001204277484 871037788 /nfs/dbraw/zinc/03/77/88/871037788.db2.gz DYLXERRFPRTUQV-ZDUSSCGKSA-N 0 3 307.394 1.770 20 10 DDCDHN NC(=O)C1=CC2(CC1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001277191702 882924788 /nfs/dbraw/zinc/92/47/88/882924788.db2.gz GACHSYSHNCZUJK-UHFFFAOYSA-N 0 3 302.374 1.886 20 10 DDCDHN CN(C)C(=O)[C@@H]1CCSC12CN(Cc1ccc(O)cc1O)C2 ZINC001277193132 882932311 /nfs/dbraw/zinc/93/23/11/882932311.db2.gz YQDMCNKGJCSCCS-ZDUSSCGKSA-N 0 3 322.430 1.494 20 10 DDCDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N)cc1 ZINC001357792480 880198139 /nfs/dbraw/zinc/19/81/39/880198139.db2.gz ZAMJKBPYVSGXJG-INIZCTEOSA-N 0 3 320.437 1.521 20 10 DDCDHN COCCCN1CCN(Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231853862 885907865 /nfs/dbraw/zinc/90/78/65/885907865.db2.gz SMBQIGUIDQCCAW-UHFFFAOYSA-N 0 3 321.465 1.915 20 10 DDCDHN CC(C)C(=O)NC1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233485190 887017954 /nfs/dbraw/zinc/01/79/54/887017954.db2.gz MGVOASMZNBPBTR-UHFFFAOYSA-N 0 3 308.378 1.540 20 10 DDCDHN CCOc1ccc(CN2CCC[C@@]3(CNC(=O)O3)C2)c(O)c1 ZINC001237045134 889477794 /nfs/dbraw/zinc/47/77/94/889477794.db2.gz XHLYJNGXWKPOML-MRXNPFEDSA-N 0 3 306.362 1.865 20 10 DDCDHN CCOc1ccc(CN2CCC[C@H](NC(=O)NC)C2)c(O)c1 ZINC001237047269 889479487 /nfs/dbraw/zinc/47/94/87/889479487.db2.gz KYHQANITSUAXMF-ZDUSSCGKSA-N 0 3 307.394 1.684 20 10 DDCDHN Cc1cccc(O)c1CN1C[C@](O)(C(F)(F)F)C[C@H]1CO ZINC001237484682 889662380 /nfs/dbraw/zinc/66/23/80/889662380.db2.gz HNXXCXAAOJPCFA-GWCFXTLKSA-N 0 3 305.296 1.561 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@@H+]3CC[C@H](O)[C@H](CO)C3)ccc2O1 ZINC001249223235 893880041 /nfs/dbraw/zinc/88/00/41/893880041.db2.gz BXRFBSJJXRSWAR-ZFWWWQNUSA-N 0 3 319.401 1.752 20 10 DDCDHN CC1(C)C=Cc2c([O-])c(C[N@H+]3CC[C@H](O)[C@H](CO)C3)ccc2O1 ZINC001249223235 893880059 /nfs/dbraw/zinc/88/00/59/893880059.db2.gz BXRFBSJJXRSWAR-ZFWWWQNUSA-N 0 3 319.401 1.752 20 10 DDCDHN COc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(O)cc2[O-])c1 ZINC001253979583 896197425 /nfs/dbraw/zinc/19/74/25/896197425.db2.gz MMLDPFVZHKYFGC-AWEZNQCLSA-N 0 3 319.357 1.636 20 10 DDCDHN COCCCN(C)CCNC(=O)N(C)Cc1ccccc1O ZINC000074616555 185003212 /nfs/dbraw/zinc/00/32/12/185003212.db2.gz MTWIPWUIHHYALJ-UHFFFAOYSA-N 0 3 309.410 1.502 20 10 DDCDHN O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)CN1 ZINC000092105880 353845126 /nfs/dbraw/zinc/84/51/26/353845126.db2.gz BLWAISMSIJGESU-DGCLKSJQSA-N 0 3 318.373 1.612 20 10 DDCDHN O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)CN1 ZINC000092105880 353845130 /nfs/dbraw/zinc/84/51/30/353845130.db2.gz BLWAISMSIJGESU-DGCLKSJQSA-N 0 3 318.373 1.612 20 10 DDCDHN O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000275161774 130296206 /nfs/dbraw/zinc/29/62/06/130296206.db2.gz YPMMOEPNZXEJPU-LLVKDONJSA-N 0 3 302.296 1.893 20 10 DDCDHN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000275161774 130296210 /nfs/dbraw/zinc/29/62/10/130296210.db2.gz YPMMOEPNZXEJPU-LLVKDONJSA-N 0 3 302.296 1.893 20 10 DDCDHN COc1ccc(N2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)cc1F ZINC000119387625 408055480 /nfs/dbraw/zinc/05/54/80/408055480.db2.gz PAEKEEKGASGVHP-OAHLLOKOSA-N 0 3 323.412 1.856 20 10 DDCDHN CCOC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121040366 408152425 /nfs/dbraw/zinc/15/24/25/408152425.db2.gz XTEPNDFOQILVQI-CVEARBPZSA-N 0 3 309.406 1.771 20 10 DDCDHN CCOC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121040366 408152427 /nfs/dbraw/zinc/15/24/27/408152427.db2.gz XTEPNDFOQILVQI-CVEARBPZSA-N 0 3 309.406 1.771 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)c1 ZINC000185364369 408800338 /nfs/dbraw/zinc/80/03/38/408800338.db2.gz KWOKKNSHVGXKJV-ZIAGYGMSSA-N 0 3 307.438 1.687 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCC(O)CC2)c1 ZINC000185116099 408760896 /nfs/dbraw/zinc/76/08/96/408760896.db2.gz VKXMQIVBGWRPLU-ZDUSSCGKSA-N 0 3 308.422 1.898 20 10 DDCDHN COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000278721215 409086575 /nfs/dbraw/zinc/08/65/75/409086575.db2.gz POGMQQNHOOWFIE-GDBMZVCRSA-N 0 3 309.406 1.546 20 10 DDCDHN COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000278721215 409086576 /nfs/dbraw/zinc/08/65/76/409086576.db2.gz POGMQQNHOOWFIE-GDBMZVCRSA-N 0 3 309.406 1.546 20 10 DDCDHN C[C@H](N[C@H]1CCCNC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000296390447 409525849 /nfs/dbraw/zinc/52/58/49/409525849.db2.gz KADFTCKEKUQGMN-WFASDCNBSA-N 0 3 321.396 1.592 20 10 DDCDHN CNC(=O)C[C@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000299163763 410553599 /nfs/dbraw/zinc/55/35/99/410553599.db2.gz MSWSBLWLQCWOJU-AWEZNQCLSA-N 0 3 319.449 1.510 20 10 DDCDHN CC[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1ccccc1[O-] ZINC000367690633 418621156 /nfs/dbraw/zinc/62/11/56/418621156.db2.gz UVXFJRBNEHLWRM-XKZABGERSA-N 0 3 317.389 1.954 20 10 DDCDHN COc1ccc(O)c([C@H](C)N2CC[C@@H]3OCC(=O)N[C@@H]3C2)c1 ZINC000377702151 418713405 /nfs/dbraw/zinc/71/34/05/418713405.db2.gz PHLVKQIVJLASDY-ZBINZKHDSA-N 0 3 306.362 1.051 20 10 DDCDHN COc1cccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000371326174 418780088 /nfs/dbraw/zinc/78/00/88/418780088.db2.gz HYRVYFWQGRPMKS-CABCVRRESA-N 0 3 306.406 1.432 20 10 DDCDHN CCCN(Cc1ccccc1O)C(=O)[C@H]1CN2CCN1CCC2 ZINC000372858920 418909889 /nfs/dbraw/zinc/90/98/89/418909889.db2.gz SRQRRRBHCHZVMA-MRXNPFEDSA-N 0 3 317.433 1.521 20 10 DDCDHN CN1CCCc2cc(CNC3CCS(=O)(=O)CC3)ccc21 ZINC000050286537 332346955 /nfs/dbraw/zinc/34/69/55/332346955.db2.gz VWMKSRUDXTVUIN-UHFFFAOYSA-N 0 3 308.447 1.736 20 10 DDCDHN Cc1cccc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)c1[O-] ZINC000179846738 524376604 /nfs/dbraw/zinc/37/66/04/524376604.db2.gz MTMLDUPHDJNMHJ-INIZCTEOSA-N 0 3 311.422 1.935 20 10 DDCDHN Cc1cccc(C[N@H+](C)C[C@H](O)COCCOC(C)C)c1[O-] ZINC000179846738 524376614 /nfs/dbraw/zinc/37/66/14/524376614.db2.gz MTMLDUPHDJNMHJ-INIZCTEOSA-N 0 3 311.422 1.935 20 10 DDCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)N(C)C ZINC000188991063 525531836 /nfs/dbraw/zinc/53/18/36/525531836.db2.gz RZTWPKFZEDJJNN-STQMWFEESA-N 0 3 323.412 1.790 20 10 DDCDHN NC(=O)c1cccnc1N1CCN(Cc2ccccc2O)CC1 ZINC000179557134 527093942 /nfs/dbraw/zinc/09/39/42/527093942.db2.gz STPPMUIIPMZZQY-UHFFFAOYSA-N 0 3 312.373 1.208 20 10 DDCDHN Cc1cc(C)c(O)c(CN2CCCN(S(C)(=O)=O)CC2)c1 ZINC000163815412 697334735 /nfs/dbraw/zinc/33/47/35/697334735.db2.gz LVVPXQWJZWZJQF-UHFFFAOYSA-N 0 3 312.435 1.476 20 10 DDCDHN C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccccc1[O-] ZINC000783504648 698845217 /nfs/dbraw/zinc/84/52/17/698845217.db2.gz IGPLXIVTSFMQNT-LLVKDONJSA-N 0 3 300.424 1.761 20 10 DDCDHN COc1cccc(O)c1CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000783723954 698870866 /nfs/dbraw/zinc/87/08/66/698870866.db2.gz SCARMMLGMWKKRW-ZDUSSCGKSA-N 0 3 308.422 1.678 20 10 DDCDHN CCn1cccc(CNCc2cc3c(cc2O)OCO3)c1=O ZINC000788523946 699321377 /nfs/dbraw/zinc/32/13/77/699321377.db2.gz JFLPUCISWKEEPT-UHFFFAOYSA-N 0 3 302.330 1.592 20 10 DDCDHN CCOCCOC[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000790761711 699595742 /nfs/dbraw/zinc/59/57/42/699595742.db2.gz WSDMQTKUNMZMLD-DGCLKSJQSA-N 0 3 301.358 1.596 20 10 DDCDHN CCCCN(CC(=O)N1CCN(C)CC1)Cc1ccccc1O ZINC000801597107 700325396 /nfs/dbraw/zinc/32/53/96/700325396.db2.gz BEMVQIYADXIROA-UHFFFAOYSA-N 0 3 319.449 1.768 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]3COCC[C@@H]31)[C@@H](O)CO2 ZINC000768463673 701179843 /nfs/dbraw/zinc/17/98/43/701179843.db2.gz LDXMEBZLTBXZDR-WPGHFRTFSA-N 0 3 305.374 1.819 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]3COCC[C@@H]31)[C@@H](O)CO2 ZINC000768463673 701179846 /nfs/dbraw/zinc/17/98/46/701179846.db2.gz LDXMEBZLTBXZDR-WPGHFRTFSA-N 0 3 305.374 1.819 20 10 DDCDHN CCOc1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c(O)c1 ZINC000769328491 701241490 /nfs/dbraw/zinc/24/14/90/701241490.db2.gz PURUQBWOZHHYJK-SJORKVTESA-N 0 3 320.433 1.822 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)[C@H](O)CO2 ZINC000840117274 701977775 /nfs/dbraw/zinc/97/77/75/701977775.db2.gz AJZLMUVCGOZASL-DPAVQSFQSA-N 0 3 319.401 1.943 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)[C@H](O)CO2 ZINC000840117274 701977777 /nfs/dbraw/zinc/97/77/77/701977777.db2.gz AJZLMUVCGOZASL-DPAVQSFQSA-N 0 3 319.401 1.943 20 10 DDCDHN CC1CCN(CCNC(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841007827 702308694 /nfs/dbraw/zinc/30/86/94/702308694.db2.gz RQVUFSPCTVEEEY-UHFFFAOYSA-N 0 3 304.394 1.055 20 10 DDCDHN [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843123614 702824320 /nfs/dbraw/zinc/82/43/20/702824320.db2.gz SVUCYXJHCSCJRM-CYBMUJFWSA-N 0 3 313.804 1.664 20 10 DDCDHN Cc1cc(O)c(CN2CN(CCN(C)C)C(=O)[C@@H]2C)cc1C ZINC000843428634 702879918 /nfs/dbraw/zinc/87/99/18/702879918.db2.gz LIVUINZQCZXCNB-AWEZNQCLSA-N 0 3 305.422 1.561 20 10 DDCDHN COc1cccc([C@@H](C)NCCS(=O)(=O)C(C)C)c1O ZINC000846173228 703246661 /nfs/dbraw/zinc/24/66/61/703246661.db2.gz PUZITAYATFYLHJ-LLVKDONJSA-N 0 3 301.408 1.875 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000850396586 703729557 /nfs/dbraw/zinc/72/95/57/703729557.db2.gz LPVIYPZBFDUOHD-AWEZNQCLSA-N 0 3 306.406 1.744 20 10 DDCDHN COc1ccc(N2CC[C@H](NC(=O)[C@H](N)C3CCC3)C2)cc1 ZINC000852843845 704144699 /nfs/dbraw/zinc/14/46/99/704144699.db2.gz IHRICUXAKAYHGM-XJKSGUPXSA-N 0 3 303.406 1.518 20 10 DDCDHN COCCN1CCC[C@H]1CNC(=O)NCc1cc(C)ccc1O ZINC000858233727 704682596 /nfs/dbraw/zinc/68/25/96/704682596.db2.gz AOBDDLQABLFMQI-HNNXBMFYSA-N 0 3 321.421 1.611 20 10 DDCDHN COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000858542416 704724803 /nfs/dbraw/zinc/72/48/03/704724803.db2.gz VISPKAVMIWDXQL-GFCCVEGCSA-N 0 3 308.378 1.421 20 10 DDCDHN COC[C@]1(CO)CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000825158373 705611387 /nfs/dbraw/zinc/61/13/87/705611387.db2.gz JOXFMWNUNHMAIV-OAHLLOKOSA-N 0 3 315.797 1.885 20 10 DDCDHN COC[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000825158373 705611391 /nfs/dbraw/zinc/61/13/91/705611391.db2.gz JOXFMWNUNHMAIV-OAHLLOKOSA-N 0 3 315.797 1.885 20 10 DDCDHN COC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000825158373 705611395 /nfs/dbraw/zinc/61/13/95/705611395.db2.gz JOXFMWNUNHMAIV-OAHLLOKOSA-N 0 3 315.797 1.885 20 10 DDCDHN O=C(CNCc1ccc(N2CCC(O)CC2)cc1)NC1CC1 ZINC000877531951 706134152 /nfs/dbraw/zinc/13/41/52/706134152.db2.gz SHNCYCQVCPLYBI-UHFFFAOYSA-N 0 3 303.406 1.016 20 10 DDCDHN COc1cc(Br)cc(C[NH2+][C@@H]2COC[C@@H]2O)c1[O-] ZINC000865666433 706491731 /nfs/dbraw/zinc/49/17/31/706491731.db2.gz HUWDKVZMPNOYMH-ZJUUUORDSA-N 0 3 318.167 1.013 20 10 DDCDHN COCCO[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834774790 707114531 /nfs/dbraw/zinc/11/45/31/707114531.db2.gz ROJRYICHQKESSC-IJEWVQPXSA-N 0 3 307.390 1.790 20 10 DDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)CS(C)(=O)=O)c1[O-] ZINC000927028977 712933301 /nfs/dbraw/zinc/93/33/01/712933301.db2.gz YKEQHJPUAMSDDF-MWLCHTKSSA-N 0 3 321.826 1.410 20 10 DDCDHN CN(C)c1ccc(/C=C\CNCC2(S(C)(=O)=O)CC2)cc1 ZINC000835051456 707163022 /nfs/dbraw/zinc/16/30/22/707163022.db2.gz GCSYYSMPABVAKV-PLNGDYQASA-N 0 3 308.447 1.933 20 10 DDCDHN OC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H]1C(F)(F)F ZINC000872686799 707558529 /nfs/dbraw/zinc/55/85/29/707558529.db2.gz VXGBYBKHEMUBLF-VHSXEESVSA-N 0 3 319.279 1.724 20 10 DDCDHN CC(C)N(CC(=O)NCc1ccc(N(C)C)cc1)C[C@H](C)O ZINC000839484246 708051138 /nfs/dbraw/zinc/05/11/38/708051138.db2.gz DFDFXJRAMFMGJW-AWEZNQCLSA-N 0 3 307.438 1.460 20 10 DDCDHN CCN(CC)c1ccc(CN(C)C(=O)[C@H](N)CCOC)cc1 ZINC000884180575 708175006 /nfs/dbraw/zinc/17/50/06/708175006.db2.gz CMZXWLYHBWCITH-MRXNPFEDSA-N 0 3 307.438 1.855 20 10 DDCDHN Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c([O-])c1 ZINC000897046013 708215143 /nfs/dbraw/zinc/21/51/43/708215143.db2.gz LLKZBBLNEGDDLA-AWEZNQCLSA-N 0 3 304.390 1.164 20 10 DDCDHN CN1CCN(c2ccc(CN3CC[C@@H](O)[C@H](F)C3)cc2)CC1 ZINC000898187411 708568419 /nfs/dbraw/zinc/56/84/19/708568419.db2.gz JIFUGFFVVOMJCT-IAGOWNOFSA-N 0 3 307.413 1.343 20 10 DDCDHN C[C@H](CO)N(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103399 708984350 /nfs/dbraw/zinc/98/43/50/708984350.db2.gz LMLUKHUOMTZESJ-CZUORRHYSA-N 0 3 322.453 1.378 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCOC2)N(C)C)cc1 ZINC000891248020 710141285 /nfs/dbraw/zinc/14/12/85/710141285.db2.gz KAYFTRGHPQONAD-PBHICJAKSA-N 0 3 319.449 1.898 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN[C@@H]1C(=O)NCC12CCOCC2 ZINC000895768633 711600705 /nfs/dbraw/zinc/60/07/05/711600705.db2.gz JEGNJXHYZQOEGV-MRXNPFEDSA-N 0 3 317.433 1.446 20 10 DDCDHN COc1cc(C)cc(CNCc2n[nH]c(CSC)n2)c1O ZINC000895813682 711614259 /nfs/dbraw/zinc/61/42/59/711614259.db2.gz LWJMGJSFLVOJQU-UHFFFAOYSA-N 0 3 308.407 1.980 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](C3OCCO3)C1)[C@@H](O)CO2 ZINC000905697300 712122276 /nfs/dbraw/zinc/12/22/76/712122276.db2.gz VNSPQHYMBKUYJK-YGRLFVJLSA-N 0 3 307.346 1.013 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](C3OCCO3)C1)[C@@H](O)CO2 ZINC000905697300 712122278 /nfs/dbraw/zinc/12/22/78/712122278.db2.gz VNSPQHYMBKUYJK-YGRLFVJLSA-N 0 3 307.346 1.013 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)O[C@@H]2CCOC2)N(C)C)cc1 ZINC000908459301 712779038 /nfs/dbraw/zinc/77/90/38/712779038.db2.gz FINOWHFGXZQVSY-HZPDHXFCSA-N 0 3 321.421 1.870 20 10 DDCDHN COc1ccc(N2CCCN(CCN3CCCC3=O)CC2)cc1 ZINC000917210029 713487397 /nfs/dbraw/zinc/48/73/97/713487397.db2.gz BYPRFFRCDLLONZ-UHFFFAOYSA-N 0 3 317.433 1.830 20 10 DDCDHN COCCN1CC[C@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000919634463 713623793 /nfs/dbraw/zinc/62/37/93/713623793.db2.gz JDTDZUOKURZKSQ-NSHDSACASA-N 0 3 311.357 1.051 20 10 DDCDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)C1(O)CCC1)C[C@@H]1CCCO1 ZINC000929971576 713725222 /nfs/dbraw/zinc/72/52/22/713725222.db2.gz PIINYIKGVXXHNL-DOTOQJQBSA-N 0 3 321.417 1.649 20 10 DDCDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)C1(O)CCC1)C[C@@H]1CCCO1 ZINC000929971576 713725223 /nfs/dbraw/zinc/72/52/23/713725223.db2.gz PIINYIKGVXXHNL-DOTOQJQBSA-N 0 3 321.417 1.649 20 10 DDCDHN CCN(C)c1ccc(CN2CCC(OC)(OC)[C@@H](O)C2)cc1 ZINC000931636811 714145710 /nfs/dbraw/zinc/14/57/10/714145710.db2.gz YPMUARTZYVNFOA-INIZCTEOSA-N 0 3 308.422 1.698 20 10 DDCDHN C[C@H](O)CN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016385380 756979890 /nfs/dbraw/zinc/97/98/90/756979890.db2.gz SGXUSGCDPFMGOT-GWCFXTLKSA-N 0 3 319.365 1.034 20 10 DDCDHN [NH3+]C1(CC2CCC2)CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148590529 773542890 /nfs/dbraw/zinc/54/28/90/773542890.db2.gz LZLCAAAIZCSTLR-UHFFFAOYSA-N 0 3 320.389 1.927 20 10 DDCDHN COc1ccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(C)C3)C2)c([O-])c1 ZINC001272625944 846425134 /nfs/dbraw/zinc/42/51/34/846425134.db2.gz QJLPLMKQMIMKGO-KRWDZBQOSA-N 0 3 320.389 1.082 20 10 DDCDHN COc1ccc(C[N@H+]2CCOC[C@]3(CC(=O)N(C)C3)C2)c([O-])c1 ZINC001272625944 846425138 /nfs/dbraw/zinc/42/51/38/846425138.db2.gz QJLPLMKQMIMKGO-KRWDZBQOSA-N 0 3 320.389 1.082 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001122258509 858727288 /nfs/dbraw/zinc/72/72/88/858727288.db2.gz XQYKJWKCGXIEBN-HNNXBMFYSA-N 0 3 307.325 1.046 20 10 DDCDHN c1nnc2n1CCN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138496550 860119208 /nfs/dbraw/zinc/11/92/08/860119208.db2.gz SXIIXZDCNXNEOC-UHFFFAOYSA-N 0 3 313.405 1.173 20 10 DDCDHN CCN1CCN(c2ccc(CN3C[C@@H](O)[C@@H](F)C3)cc2)CC1 ZINC001140302524 860615471 /nfs/dbraw/zinc/61/54/71/860615471.db2.gz SYQPUKJELFHVFM-DLBZAZTESA-N 0 3 307.413 1.343 20 10 DDCDHN Cc1ccc(CN2CCN(CCN3CCOCC3)CC2)c(O)c1 ZINC001140949693 860744575 /nfs/dbraw/zinc/74/45/75/860744575.db2.gz IITAYLWKMSYYAH-UHFFFAOYSA-N 0 3 319.449 1.150 20 10 DDCDHN COc1ccc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)c([O-])c1 ZINC001203635439 870689317 /nfs/dbraw/zinc/68/93/17/870689317.db2.gz VAVRVKYHHVUHMI-CQSZACIVSA-N 0 3 301.346 1.844 20 10 DDCDHN COc1ccc(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)c([O-])c1 ZINC001203635439 870689321 /nfs/dbraw/zinc/68/93/21/870689321.db2.gz VAVRVKYHHVUHMI-CQSZACIVSA-N 0 3 301.346 1.844 20 10 DDCDHN COc1ccc(O)c(CN2CC[C@@H](Oc3ncccn3)C2)c1 ZINC001203684500 870710368 /nfs/dbraw/zinc/71/03/68/870710368.db2.gz YNVFSSRQXUCXFO-CQSZACIVSA-N 0 3 301.346 1.844 20 10 DDCDHN CN(C)c1ccc(CN2CCc3[nH]c(=O)[nH]c(=O)c3C2)cc1 ZINC001203937916 870844457 /nfs/dbraw/zinc/84/44/57/870844457.db2.gz ZHKTXQURHQAGSM-UHFFFAOYSA-N 0 3 300.362 1.512 20 10 DDCDHN COc1cc([N+](=O)[O-])c(N2C[C@H]3CCN(C)[C@H]3C2)cc1OC ZINC001307121900 871397763 /nfs/dbraw/zinc/39/77/63/871397763.db2.gz DPRBGEAWKNQATD-MFKMUULPSA-N 0 3 307.350 1.752 20 10 DDCDHN O=C(Nc1cn[nH]c1)C12CC([NH2+]Cc3ccc(O)cc3[O-])(C1)C2 ZINC001277192841 882929169 /nfs/dbraw/zinc/92/91/69/882929169.db2.gz VTERGXAAYFJUIE-UHFFFAOYSA-N 0 3 314.345 1.472 20 10 DDCDHN CCN1CCN(c2ccc(O[C@@H](CCO)C(=O)OC)cc2)CC1 ZINC001218221450 877425715 /nfs/dbraw/zinc/42/57/15/877425715.db2.gz HXIHVSWFUYGPOA-INIZCTEOSA-N 0 3 322.405 1.131 20 10 DDCDHN CCN1CCN(c2ccc(O[C@H]3CNCC3(F)F)cc2)CC1 ZINC001218236152 877434194 /nfs/dbraw/zinc/43/41/94/877434194.db2.gz HBTGHMCGSZUWTE-HNNXBMFYSA-N 0 3 311.376 1.814 20 10 DDCDHN COC(=O)[C@@H]1COCCC12CN(Cc1cccc(C)c1O)C2 ZINC001231594217 885754583 /nfs/dbraw/zinc/75/45/83/885754583.db2.gz YMQAYVRUFHBXNX-AWEZNQCLSA-N 0 3 305.374 1.712 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CCO[C@@H](CN(C)C)C1 ZINC001231851297 885908623 /nfs/dbraw/zinc/90/86/23/885908623.db2.gz DAZFXKOCSMWEGE-INIZCTEOSA-N 0 3 307.438 1.524 20 10 DDCDHN Cc1cc(O)c(CN2CC(N3CCN(C)CC3)C2)cc1Cl ZINC001231872143 885917479 /nfs/dbraw/zinc/91/74/79/885917479.db2.gz WLUJIZLYXYENDT-UHFFFAOYSA-N 0 3 309.841 1.786 20 10 DDCDHN [O-]c1cc(Cl)c(Cl)cc1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234988187 888306197 /nfs/dbraw/zinc/30/61/97/888306197.db2.gz JCZLDTBDPIYMMI-AWEZNQCLSA-N 0 3 316.232 1.836 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC3(CNC(=O)N3)CC2)c([O-])c1 ZINC001237045877 889478347 /nfs/dbraw/zinc/47/83/47/889478347.db2.gz KBPHDSNTIFIECB-UHFFFAOYSA-N 0 3 305.378 1.438 20 10 DDCDHN CCOc1ccc(C[N@H+](CC)CCN2CCOCC2)c([O-])c1 ZINC001237042764 889478387 /nfs/dbraw/zinc/47/83/87/889478387.db2.gz GXOMNWFZMFAYNU-UHFFFAOYSA-N 0 3 308.422 1.945 20 10 DDCDHN CCOc1ccc(C[N@@H+](CC)CCN2CCOCC2)c([O-])c1 ZINC001237042764 889478394 /nfs/dbraw/zinc/47/83/94/889478394.db2.gz GXOMNWFZMFAYNU-UHFFFAOYSA-N 0 3 308.422 1.945 20 10 DDCDHN Nc1ccc(S(=O)(=O)[N-]c2cccc(N3CC([NH3+])C3)c2)cc1 ZINC001237813298 889866286 /nfs/dbraw/zinc/86/62/86/889866286.db2.gz MUTWJSZNIASDDY-UHFFFAOYSA-N 0 3 318.402 1.217 20 10 DDCDHN CNC(=O)C1CC[NH+](Cc2ccc(CC(=O)OC)cc2[O-])CC1 ZINC001249174099 893853994 /nfs/dbraw/zinc/85/39/94/893853994.db2.gz ZFMOHBXZOPECPF-UHFFFAOYSA-N 0 3 320.389 1.066 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC)C2)c([O-])c1 ZINC001249173812 893855434 /nfs/dbraw/zinc/85/54/34/893855434.db2.gz XBJWARPHTVVSSC-CQSZACIVSA-N 0 3 321.373 1.493 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)OC)C2)c([O-])c1 ZINC001249173812 893855447 /nfs/dbraw/zinc/85/54/47/893855447.db2.gz XBJWARPHTVVSSC-CQSZACIVSA-N 0 3 321.373 1.493 20 10 DDCDHN COC(=O)Cc1ccc(CN2CCCC3(C2)OCCO3)c(O)c1 ZINC001249208135 893867851 /nfs/dbraw/zinc/86/78/51/893867851.db2.gz NFNQSUZQVIATFU-UHFFFAOYSA-N 0 3 321.373 1.447 20 10 DDCDHN COc1ccc(N2CCN(C[C@H](O)Cn3cccn3)CC2)cc1 ZINC000051314545 352584349 /nfs/dbraw/zinc/58/43/49/352584349.db2.gz CMTBLNUXJPPGPT-INIZCTEOSA-N 0 3 316.405 1.075 20 10 DDCDHN CCC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000236887943 202053117 /nfs/dbraw/zinc/05/31/17/202053117.db2.gz SQMLHXPZJYYOIP-AWEZNQCLSA-N 0 3 309.385 1.406 20 10 DDCDHN COc1cccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000093017855 193195282 /nfs/dbraw/zinc/19/52/82/193195282.db2.gz KANTXIGDKFHXDG-HNNXBMFYSA-N 0 3 320.433 1.945 20 10 DDCDHN COc1cccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000093017855 193195283 /nfs/dbraw/zinc/19/52/83/193195283.db2.gz KANTXIGDKFHXDG-HNNXBMFYSA-N 0 3 320.433 1.945 20 10 DDCDHN Cc1ccc([C@@H](C)[NH2+]CCCNS(C)(=O)=O)c([O-])c1C ZINC000273423089 130118856 /nfs/dbraw/zinc/11/88/56/130118856.db2.gz SNXFTNJVYNPGQO-GFCCVEGCSA-N 0 3 300.424 1.599 20 10 DDCDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)C[C@@H](C)OC)cc2=O ZINC000285890655 131208063 /nfs/dbraw/zinc/20/80/63/131208063.db2.gz ZFTPSEWFRQOVGY-SNVBAGLBSA-N 0 3 322.365 1.078 20 10 DDCDHN C[C@H](NCCC(=O)N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000178669436 407539387 /nfs/dbraw/zinc/53/93/87/407539387.db2.gz LMVBASCMBBYMHH-HNNXBMFYSA-N 0 3 318.465 1.567 20 10 DDCDHN COc1cc(Cl)cc(CN[C@@H](C)CS(C)(=O)=O)c1O ZINC000228674060 407649457 /nfs/dbraw/zinc/64/94/57/407649457.db2.gz VCINGXNGHYJWLD-QMMMGPOBSA-N 0 3 307.799 1.577 20 10 DDCDHN COc1cccc(CNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1O ZINC000268130329 407905367 /nfs/dbraw/zinc/90/53/67/407905367.db2.gz IDZRPQMPHYUDEP-SMDDNHRTSA-N 0 3 319.405 1.683 20 10 DDCDHN Oc1cc2c(cc1CN1CCS[C@@H]3COCC[C@@H]31)OCO2 ZINC000268998526 408222520 /nfs/dbraw/zinc/22/25/20/408222520.db2.gz XKWAAKRWOBFAMR-XHDPSFHLSA-N 0 3 309.387 1.827 20 10 DDCDHN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000292803845 409042358 /nfs/dbraw/zinc/04/23/58/409042358.db2.gz VSUHGUJOMPVUQQ-LLVKDONJSA-N 0 3 308.378 1.763 20 10 DDCDHN O=S1(=O)CCCN1[C@@H]1CCCN(Cc2ccccc2O)C1 ZINC000279441851 409215815 /nfs/dbraw/zinc/21/58/15/409215815.db2.gz PIONCFDCXZYSON-CQSZACIVSA-N 0 3 310.419 1.392 20 10 DDCDHN CC[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(C)cc1[O-] ZINC000280188876 409265633 /nfs/dbraw/zinc/26/56/33/409265633.db2.gz SBDPLDPWXYGUQV-ZDUSSCGKSA-N 0 3 302.378 1.894 20 10 DDCDHN C[C@@H](O)CN1CCN(Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 ZINC000284529132 409348958 /nfs/dbraw/zinc/34/89/58/409348958.db2.gz ZUFNQTHCESAANK-ZIAGYGMSSA-N 0 3 309.429 1.779 20 10 DDCDHN C[C@H](NC1CC1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000295343064 409442358 /nfs/dbraw/zinc/44/23/58/409442358.db2.gz BLBGFRSGXSXXMJ-LBPRGKRZSA-N 0 3 321.396 1.419 20 10 DDCDHN CNC(=O)CN1CCC([NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000192753998 222134295 /nfs/dbraw/zinc/13/42/95/222134295.db2.gz NKXZTQGOIURCAN-CYBMUJFWSA-N 0 3 305.422 1.562 20 10 DDCDHN CC[C@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1ccccc1[O-] ZINC000192753108 222135079 /nfs/dbraw/zinc/13/50/79/222135079.db2.gz QKXGKHWEFXFSIQ-HNNXBMFYSA-N 0 3 305.422 1.643 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 ZINC000368329722 418719352 /nfs/dbraw/zinc/71/93/52/418719352.db2.gz DUIMCWJVQVYPJQ-WFASDCNBSA-N 0 3 306.406 1.915 20 10 DDCDHN CC(C)N1CCN([C@H]2CC[N@H+](Cc3ccccc3[O-])C2)CC1 ZINC000361901373 418723782 /nfs/dbraw/zinc/72/37/82/418723782.db2.gz UUCIIFGPANYLTF-KRWDZBQOSA-N 0 3 303.450 1.993 20 10 DDCDHN CC(C)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)CC1 ZINC000361901373 418723783 /nfs/dbraw/zinc/72/37/83/418723783.db2.gz UUCIIFGPANYLTF-KRWDZBQOSA-N 0 3 303.450 1.993 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000368796403 281025537 /nfs/dbraw/zinc/02/55/37/281025537.db2.gz JDEJDKRAHCSYNU-UKRRQHHQSA-N 0 3 324.446 1.999 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000368796403 281025538 /nfs/dbraw/zinc/02/55/38/281025538.db2.gz JDEJDKRAHCSYNU-UKRRQHHQSA-N 0 3 324.446 1.999 20 10 DDCDHN CN(C)c1ccc(CNC(=O)N2CCN3CCC2CC3)cc1F ZINC000367477363 331472357 /nfs/dbraw/zinc/47/23/57/331472357.db2.gz ZPQSQAVTRSKBGZ-UHFFFAOYSA-N 0 3 320.412 1.881 20 10 DDCDHN COCCN1CCC[C@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000111867427 696646153 /nfs/dbraw/zinc/64/61/53/696646153.db2.gz LTNZSGGJUCXFOO-HNNXBMFYSA-N 0 3 321.421 1.644 20 10 DDCDHN CN1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1=O ZINC000748242251 700107665 /nfs/dbraw/zinc/10/76/65/700107665.db2.gz KJCPMTDJQUDJIE-MRXNPFEDSA-N 0 3 303.406 1.234 20 10 DDCDHN COCC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCOC1 ZINC000782974977 698793232 /nfs/dbraw/zinc/79/32/32/698793232.db2.gz AZCRAUOIGHQPAU-IUODEOHRSA-N 0 3 309.362 1.055 20 10 DDCDHN COCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H]1CCOC1 ZINC000782974977 698793234 /nfs/dbraw/zinc/79/32/34/698793234.db2.gz AZCRAUOIGHQPAU-IUODEOHRSA-N 0 3 309.362 1.055 20 10 DDCDHN COc1cc(Cl)cc(CNC(C)(C)CS(C)(=O)=O)c1O ZINC000391469491 699098512 /nfs/dbraw/zinc/09/85/12/699098512.db2.gz SBFSVNITENPVNE-UHFFFAOYSA-N 0 3 321.826 1.967 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)CS(C)(=O)=O)c1[O-] ZINC000391469491 699098514 /nfs/dbraw/zinc/09/85/14/699098514.db2.gz SBFSVNITENPVNE-UHFFFAOYSA-N 0 3 321.826 1.967 20 10 DDCDHN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H](CO)O1 ZINC000787416888 699211043 /nfs/dbraw/zinc/21/10/43/699211043.db2.gz KLJYFOIDSDYKJP-MAUKXSAKSA-N 0 3 319.449 1.020 20 10 DDCDHN CON(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000788018298 699267503 /nfs/dbraw/zinc/26/75/03/699267503.db2.gz AHIBYNFAXNKUEK-OAHLLOKOSA-N 0 3 322.405 1.783 20 10 DDCDHN CON(C)C(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000788018298 699267506 /nfs/dbraw/zinc/26/75/06/699267506.db2.gz AHIBYNFAXNKUEK-OAHLLOKOSA-N 0 3 322.405 1.783 20 10 DDCDHN CCNS(=O)(=O)CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756706633 700637062 /nfs/dbraw/zinc/63/70/62/700637062.db2.gz BONOPDSJTHOSGG-KOLCDFICSA-N 0 3 316.398 1.609 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCOCC3(CCC3)C1)[C@@H](O)CO2 ZINC000758985914 700731854 /nfs/dbraw/zinc/73/18/54/700731854.db2.gz DWFWZKAQCIOZCZ-HNNXBMFYSA-N 0 3 305.374 1.821 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCOCC3(CCC3)C1)[C@@H](O)CO2 ZINC000758985914 700731856 /nfs/dbraw/zinc/73/18/56/700731856.db2.gz DWFWZKAQCIOZCZ-HNNXBMFYSA-N 0 3 305.374 1.821 20 10 DDCDHN CC[C@@H](C)N(CCO)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000805790453 701409594 /nfs/dbraw/zinc/40/95/94/701409594.db2.gz ZZWKDPFDOYOEGY-OAHLLOKOSA-N 0 3 321.465 1.804 20 10 DDCDHN COCCN1CC[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868284438 702042296 /nfs/dbraw/zinc/04/22/96/702042296.db2.gz BYTCCIJPJIKISQ-STQMWFEESA-N 0 3 307.394 1.473 20 10 DDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)Cn2ccnn2)c1[O-] ZINC000840804085 702244395 /nfs/dbraw/zinc/24/43/95/702244395.db2.gz ZORHJOVTONVIDP-PWSUYJOCSA-N 0 3 310.785 1.657 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000840941268 702287426 /nfs/dbraw/zinc/28/74/26/702287426.db2.gz VEVOOHVWNJSYTM-QGZVFWFLSA-N 0 3 316.405 1.235 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000840940803 702288017 /nfs/dbraw/zinc/28/80/17/702288017.db2.gz GFZPWNMZUJABJR-HOTGVXAUSA-N 0 3 305.466 1.948 20 10 DDCDHN COC[C@@]1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCCN1 ZINC000817975447 702541020 /nfs/dbraw/zinc/54/10/20/702541020.db2.gz UWGUWWZVBKJHJU-ABAIWWIYSA-N 0 3 309.366 1.720 20 10 DDCDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832251 702576146 /nfs/dbraw/zinc/57/61/46/702576146.db2.gz LJFRTTQJVYZOTN-LSDHHAIUSA-N 0 3 314.433 1.955 20 10 DDCDHN CN(C)c1ccc(CN2CCC[C@@H](N3CCNCC3=O)C2)cc1 ZINC000843065213 702811952 /nfs/dbraw/zinc/81/19/52/702811952.db2.gz KIILLRMKHYMQMX-QGZVFWFLSA-N 0 3 316.449 1.149 20 10 DDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CNCCO1 ZINC000843485581 702890989 /nfs/dbraw/zinc/89/09/89/702890989.db2.gz MNURKLBFFVNPQX-KRWDZBQOSA-N 0 3 319.449 1.868 20 10 DDCDHN C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1[O-] ZINC000879650557 706749599 /nfs/dbraw/zinc/74/95/99/706749599.db2.gz HCEGTZAOJYZILA-NSHDSACASA-N 0 3 303.318 1.813 20 10 DDCDHN CCc1cccc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000848912301 703602665 /nfs/dbraw/zinc/60/26/65/703602665.db2.gz DOMRKTYKEQHTKH-CQSZACIVSA-N 0 3 312.435 1.420 20 10 DDCDHN CCCC[N@H+](CCN1C(=O)CN(C)C1=O)Cc1ccccc1[O-] ZINC000852018185 703905085 /nfs/dbraw/zinc/90/50/85/703905085.db2.gz KSPIWVBQCAEDMS-UHFFFAOYSA-N 0 3 319.405 1.888 20 10 DDCDHN CCCC[N@@H+](CCN1C(=O)CN(C)C1=O)Cc1ccccc1[O-] ZINC000852018185 703905087 /nfs/dbraw/zinc/90/50/87/703905087.db2.gz KSPIWVBQCAEDMS-UHFFFAOYSA-N 0 3 319.405 1.888 20 10 DDCDHN COC(=O)NC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000853626908 704289411 /nfs/dbraw/zinc/28/94/11/704289411.db2.gz JPBLFXLOGQLXRL-AWEZNQCLSA-N 0 3 322.361 1.138 20 10 DDCDHN COC(=O)NC1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000853626908 704289412 /nfs/dbraw/zinc/28/94/12/704289412.db2.gz JPBLFXLOGQLXRL-AWEZNQCLSA-N 0 3 322.361 1.138 20 10 DDCDHN COCCNC(=O)C1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876560907 705758781 /nfs/dbraw/zinc/75/87/81/705758781.db2.gz PKHBQOGQJYZNDN-UHFFFAOYSA-N 0 3 306.406 1.675 20 10 DDCDHN Cc1cc(CN(CC(N)=O)C2CCOCC2)ccc1N(C)C ZINC000880395026 706962802 /nfs/dbraw/zinc/96/28/02/706962802.db2.gz CTFVPJXBZDSAHL-UHFFFAOYSA-N 0 3 305.422 1.527 20 10 DDCDHN O=C1[C@H](NCc2cc3c(cc2O)OCO3)C[C@H]2CCCCN12 ZINC000835072720 707167178 /nfs/dbraw/zinc/16/71/78/707167178.db2.gz IIVKBSQJKQXZOO-VXGBXAGGSA-N 0 3 304.346 1.364 20 10 DDCDHN CN(C)C[C@@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O ZINC000927217112 712958094 /nfs/dbraw/zinc/95/80/94/712958094.db2.gz QPZFFPHKFDPHKR-VIFPVBQESA-N 0 3 317.176 1.562 20 10 DDCDHN Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)c([O-])c1 ZINC000897046014 708215182 /nfs/dbraw/zinc/21/51/82/708215182.db2.gz LLKZBBLNEGDDLA-CQSZACIVSA-N 0 3 304.390 1.164 20 10 DDCDHN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](N)CC3CC3)C2)cc1 ZINC000884368635 708266589 /nfs/dbraw/zinc/26/65/89/708266589.db2.gz CWOCDSUWSGQHOK-PBHICJAKSA-N 0 3 317.433 1.765 20 10 DDCDHN CCC1(CC)CNC(=O)[C@@H]1NCc1ccc(OC)c(OC)c1O ZINC000897341491 708297210 /nfs/dbraw/zinc/29/72/10/708297210.db2.gz GNRVGEDPRLLPHL-HNNXBMFYSA-N 0 3 322.405 1.804 20 10 DDCDHN CCOC(=O)N1C[C@@H](CO)[C@H](NCc2ccc3c(c2)CCO3)C1 ZINC000898359040 708621443 /nfs/dbraw/zinc/62/14/43/708621443.db2.gz LWPREVCXROHRQA-LSDHHAIUSA-N 0 3 320.389 1.160 20 10 DDCDHN CC(C)ONC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899097933 708982256 /nfs/dbraw/zinc/98/22/56/708982256.db2.gz JEHUGSNACLOACV-OAHLLOKOSA-N 0 3 308.426 1.995 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)O)N(C)C)cc1 ZINC000891246363 710140521 /nfs/dbraw/zinc/14/05/21/710140521.db2.gz BNDVVAYZDLBLRL-HNNXBMFYSA-N 0 3 307.438 1.633 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCOC2)N(C)C)cc1 ZINC000891251900 710142636 /nfs/dbraw/zinc/14/26/36/710142636.db2.gz HXNLHFKPXQIROP-RDJZCZTQSA-N 0 3 319.449 1.898 20 10 DDCDHN CN(C)c1ccc([C@@H](CNCc2cn(C)cn2)N(C)C)cc1 ZINC000902722960 710878840 /nfs/dbraw/zinc/87/88/40/710878840.db2.gz FILRLFKOIUTHMA-QGZVFWFLSA-N 0 3 301.438 1.879 20 10 DDCDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cn(C)nn1 ZINC000903086963 711028319 /nfs/dbraw/zinc/02/83/19/711028319.db2.gz CUQRXRGVWWTULE-AWEZNQCLSA-N 0 3 314.437 1.418 20 10 DDCDHN CON(C)C(=O)CNCc1cc(Br)cc(C)c1O ZINC000895041279 711381431 /nfs/dbraw/zinc/38/14/31/711381431.db2.gz WZZOURONPUPBPS-UHFFFAOYSA-N 0 3 317.183 1.573 20 10 DDCDHN CON(C)C(=O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000895041279 711381437 /nfs/dbraw/zinc/38/14/37/711381437.db2.gz WZZOURONPUPBPS-UHFFFAOYSA-N 0 3 317.183 1.573 20 10 DDCDHN C[C@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)c1ccccc1O ZINC000919116916 713583020 /nfs/dbraw/zinc/58/30/20/713583020.db2.gz AGEPJMBVTWZNDN-BBRMVZONSA-N 0 3 324.446 1.859 20 10 DDCDHN Oc1ccc(CN2CCC(Oc3ncccn3)CC2)c(O)c1 ZINC001204278717 742905678 /nfs/dbraw/zinc/90/56/78/742905678.db2.gz IURNFOYCAGALJK-UHFFFAOYSA-N 0 3 301.346 1.931 20 10 DDCDHN CN(C)c1ccc(CN2C[C@@]3(CCN(C)C3)OCC2=O)cc1 ZINC001273526569 851060664 /nfs/dbraw/zinc/06/06/64/851060664.db2.gz IYDZJUPZKLMTJY-KRWDZBQOSA-N 0 3 303.406 1.186 20 10 DDCDHN COCCOCN1CC2(C1)CN(Cc1c(C)ccc(C)c1O)C2 ZINC001275968622 854038713 /nfs/dbraw/zinc/03/87/13/854038713.db2.gz FWXRGNHZUFCBCV-UHFFFAOYSA-N 0 3 320.433 1.747 20 10 DDCDHN COC(=O)[C@H]1[C@@H]2CN(Cc3ccc4c(c3)CCCN4C)C[C@@H]21 ZINC001138356067 860074756 /nfs/dbraw/zinc/07/47/56/860074756.db2.gz GQQMOPMEYVIBDS-QLPKVWCKSA-N 0 3 300.402 1.920 20 10 DDCDHN COCC(=O)N[C@@H]1CCCN(Cc2ccc(O)c(C)c2O)C1 ZINC001140749820 860691566 /nfs/dbraw/zinc/69/15/66/860691566.db2.gz NSQHLSXWKNKNJU-CYBMUJFWSA-N 0 3 308.378 1.133 20 10 DDCDHN CCC(=O)NC1CCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141028663 860764992 /nfs/dbraw/zinc/76/49/92/860764992.db2.gz ZBWUFTRAVQDXAO-UHFFFAOYSA-N 0 3 322.405 1.900 20 10 DDCDHN CCN(CCN1CCOCC1)Cc1c(O)cc(OC)cc1OC ZINC001141029156 860766778 /nfs/dbraw/zinc/76/67/78/860766778.db2.gz KNEJNFREFJKEHK-UHFFFAOYSA-N 0 3 324.421 1.564 20 10 DDCDHN Oc1ccc(O)c(CN2CCC[C@@H](Oc3cnccn3)C2)c1 ZINC001141163089 860799895 /nfs/dbraw/zinc/79/98/95/860799895.db2.gz OOQZAYLPTPNPHF-CQSZACIVSA-N 0 3 301.346 1.931 20 10 DDCDHN COc1ccc(CN[C@@H](CO)CNC(=O)CC(C)C)cc1C ZINC001331670490 865230689 /nfs/dbraw/zinc/23/06/89/865230689.db2.gz ZFGIYSBDPJJCGQ-OAHLLOKOSA-N 0 3 308.422 1.616 20 10 DDCDHN NC(=S)C1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2[O-])CC1 ZINC001161032241 866296627 /nfs/dbraw/zinc/29/66/27/866296627.db2.gz QNGDUWUWYYYIFO-GFCCVEGCSA-N 0 3 307.419 1.307 20 10 DDCDHN CNC(=O)CN1CCCC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC001203551564 870636951 /nfs/dbraw/zinc/63/69/51/870636951.db2.gz IVVHPKDXJODSFD-UHFFFAOYSA-N 0 3 317.433 1.569 20 10 DDCDHN COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001203635039 870688363 /nfs/dbraw/zinc/68/83/63/870688363.db2.gz HEKOPGNENZRYOX-SWLSCSKDSA-N 0 3 304.390 1.844 20 10 DDCDHN COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001203635039 870688383 /nfs/dbraw/zinc/68/83/83/870688383.db2.gz HEKOPGNENZRYOX-SWLSCSKDSA-N 0 3 304.390 1.844 20 10 DDCDHN COc1cc([O-])c(CN2C[C@@H](F)[C@@H]([NH3+])C2)c(Br)c1 ZINC001204836564 871254335 /nfs/dbraw/zinc/25/43/35/871254335.db2.gz HLHVOAZKZYXNOW-MNOVXSKESA-N 0 3 319.174 1.644 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)C1(n2cccn2)CC[NH2+]CC1 ZINC001341122061 871512524 /nfs/dbraw/zinc/51/25/24/871512524.db2.gz CLFZUCHGKUZCNV-UHFFFAOYSA-N 0 3 318.352 1.123 20 10 DDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c([O-])c1 ZINC001308855588 871533123 /nfs/dbraw/zinc/53/31/23/871533123.db2.gz QOTKVJILPBDUHI-WFASDCNBSA-N 0 3 304.390 1.810 20 10 DDCDHN COc1cc(C)c(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c([O-])c1 ZINC001308855588 871533137 /nfs/dbraw/zinc/53/31/37/871533137.db2.gz QOTKVJILPBDUHI-WFASDCNBSA-N 0 3 304.390 1.810 20 10 DDCDHN C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001205488924 871579826 /nfs/dbraw/zinc/57/98/26/871579826.db2.gz FHTRRICNJMENSO-GFCCVEGCSA-N 0 3 313.392 1.786 20 10 DDCDHN CN(CCNS(C)(=O)=O)Cc1c(O)ccc2ccccc21 ZINC001318472744 872094776 /nfs/dbraw/zinc/09/47/76/872094776.db2.gz WOYMBNFFFBJRAW-UHFFFAOYSA-N 0 3 308.403 1.526 20 10 DDCDHN C[N@H+](CCNS(C)(=O)=O)Cc1c([O-])ccc2ccccc21 ZINC001318472744 872094796 /nfs/dbraw/zinc/09/47/96/872094796.db2.gz WOYMBNFFFBJRAW-UHFFFAOYSA-N 0 3 308.403 1.526 20 10 DDCDHN C[N@@H+](CCNS(C)(=O)=O)Cc1c([O-])ccc2ccccc21 ZINC001318472744 872094814 /nfs/dbraw/zinc/09/48/14/872094814.db2.gz WOYMBNFFFBJRAW-UHFFFAOYSA-N 0 3 308.403 1.526 20 10 DDCDHN COC(=O)c1c(CN2C[C@@H]3C[C@H]2CN3C)c2ccccc2n1C ZINC001232404073 886336625 /nfs/dbraw/zinc/33/66/25/886336625.db2.gz LCSFETXJGBJMIO-STQMWFEESA-N 0 3 313.401 1.853 20 10 DDCDHN COC(=O)c1c(CN2CC[C@](C)(O)C2)c2ccccc2n1C ZINC001232402587 886336921 /nfs/dbraw/zinc/33/69/21/886336921.db2.gz PTQWNTVVFDMPQX-KRWDZBQOSA-N 0 3 302.374 1.922 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c([O-])c1 ZINC001237050920 889482452 /nfs/dbraw/zinc/48/24/52/889482452.db2.gz YQBPSGJTSKQNMG-AWEZNQCLSA-N 0 3 307.390 1.907 20 10 DDCDHN CC(=O)N1CCC2(CC1)CN(Cc1c(C)cccc1O)CCO2 ZINC001237486547 889662402 /nfs/dbraw/zinc/66/24/02/889662402.db2.gz SJGDYGRLCBRHDE-UHFFFAOYSA-N 0 3 318.417 1.914 20 10 DDCDHN COC(=O)[C@@H]1C[C@H](NCc2ccc(N3CCCCC3)cc2)CN1 ZINC001246168811 892458839 /nfs/dbraw/zinc/45/88/39/892458839.db2.gz KWLITLSYUPPXON-RDJZCZTQSA-N 0 3 317.433 1.670 20 10 DDCDHN [O-]c1cc2ccccc2cc1C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001251041103 894598678 /nfs/dbraw/zinc/59/86/78/894598678.db2.gz DDBIUZAECDGMQX-QGZVFWFLSA-N 0 3 316.401 1.328 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCN2CCN(C(C)=O)CC2)c1 ZINC000273420045 130119040 /nfs/dbraw/zinc/11/90/40/130119040.db2.gz RWAQSVMCCOOJFU-ZDUSSCGKSA-N 0 3 321.421 1.216 20 10 DDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000278378134 130687327 /nfs/dbraw/zinc/68/73/27/130687327.db2.gz DYRXEXHQXRZWLK-ZDUSSCGKSA-N 0 3 306.406 1.916 20 10 DDCDHN Cc1ccc([O-])c(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000285479277 131172468 /nfs/dbraw/zinc/17/24/68/131172468.db2.gz LKMRFCWWQUMVCB-UHFFFAOYSA-N 0 3 303.362 1.311 20 10 DDCDHN Oc1cc2c(cc1CN[C@@H]1COc3ccccc3[C@H]1O)OCO2 ZINC000288613092 131332187 /nfs/dbraw/zinc/33/21/87/131332187.db2.gz QVQOYGGKYXPTFF-SJKOYZFVSA-N 0 3 315.325 1.705 20 10 DDCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1COc3ccccc3[C@H]1O)OCO2 ZINC000288613092 131332189 /nfs/dbraw/zinc/33/21/89/131332189.db2.gz QVQOYGGKYXPTFF-SJKOYZFVSA-N 0 3 315.325 1.705 20 10 DDCDHN CCN(C[C@@H](O)CN(C)C1CC1)c1ccc(OC)c(OC)c1 ZINC000289305816 131372430 /nfs/dbraw/zinc/37/24/30/131372430.db2.gz DHAJAHMVEIRWRI-HNNXBMFYSA-N 0 3 308.422 1.985 20 10 DDCDHN CNC(=O)C[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000298692221 132073940 /nfs/dbraw/zinc/07/39/40/132073940.db2.gz LRBYOIWYNUWONR-LBPRGKRZSA-N 0 3 309.385 1.277 20 10 DDCDHN COc1ccc(N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC000299572137 132112127 /nfs/dbraw/zinc/11/21/27/132112127.db2.gz BSISZWRDTJMLPI-HNNXBMFYSA-N 0 3 317.433 1.686 20 10 DDCDHN C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cc(F)ccc1[O-] ZINC000186055062 407568741 /nfs/dbraw/zinc/56/87/41/407568741.db2.gz SWDKTLNJCUETTD-YGRLFVJLSA-N 0 3 318.352 1.721 20 10 DDCDHN Cn1cnnc1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000029539926 406924569 /nfs/dbraw/zinc/92/45/69/406924569.db2.gz GNAVGSHKESQEOP-UHFFFAOYSA-N 0 3 316.361 1.629 20 10 DDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000076073965 406954073 /nfs/dbraw/zinc/95/40/73/406954073.db2.gz ZKHDFKYJSKOZHZ-LBPRGKRZSA-N 0 3 319.405 1.981 20 10 DDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000076073965 406954074 /nfs/dbraw/zinc/95/40/74/406954074.db2.gz ZKHDFKYJSKOZHZ-LBPRGKRZSA-N 0 3 319.405 1.981 20 10 DDCDHN COc1ccc(N2CCN(C(=O)CN(C)C(C)C)CC2)cc1F ZINC000084814948 407095587 /nfs/dbraw/zinc/09/55/87/407095587.db2.gz KHKYNTJQONDYLV-UHFFFAOYSA-N 0 3 323.412 1.823 20 10 DDCDHN O=C([C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)N1CCOCC1 ZINC000179555380 407806597 /nfs/dbraw/zinc/80/65/97/407806597.db2.gz SORLAHYODBLTCJ-OAHLLOKOSA-N 0 3 304.390 1.463 20 10 DDCDHN O=C([C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)N1CCOCC1 ZINC000179555380 407806607 /nfs/dbraw/zinc/80/66/07/407806607.db2.gz SORLAHYODBLTCJ-OAHLLOKOSA-N 0 3 304.390 1.463 20 10 DDCDHN CN(CC[C@H]1CCOC1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000120058153 408117896 /nfs/dbraw/zinc/11/78/96/408117896.db2.gz GZSCPYULGJYEMJ-INIZCTEOSA-N 0 3 318.417 1.908 20 10 DDCDHN CC[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000280018508 409255270 /nfs/dbraw/zinc/25/52/70/409255270.db2.gz HFBKCAUGZJGFOU-MRXNPFEDSA-N 0 3 319.449 1.905 20 10 DDCDHN CCOc1cccc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)c1O ZINC000294673360 409297231 /nfs/dbraw/zinc/29/72/31/409297231.db2.gz ASPAGJBCPNXWIM-ZBFHGGJFSA-N 0 3 306.406 1.696 20 10 DDCDHN CCOc1cccc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000294673360 409297233 /nfs/dbraw/zinc/29/72/33/409297233.db2.gz ASPAGJBCPNXWIM-ZBFHGGJFSA-N 0 3 306.406 1.696 20 10 DDCDHN CCOc1cccc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000294673360 409297235 /nfs/dbraw/zinc/29/72/35/409297235.db2.gz ASPAGJBCPNXWIM-ZBFHGGJFSA-N 0 3 306.406 1.696 20 10 DDCDHN CN(Cc1cccs1)c1ccc(CN2C[C@H](O)[C@@H](O)C2)cc1 ZINC000296969267 409732956 /nfs/dbraw/zinc/73/29/56/409732956.db2.gz USSGRPOEEMTPHQ-IRXDYDNUSA-N 0 3 318.442 1.922 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN(CC(=O)NC)CC1 ZINC000367360710 418592009 /nfs/dbraw/zinc/59/20/09/418592009.db2.gz JZRVAVFUXKZDGV-HNNXBMFYSA-N 0 3 305.422 1.597 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN(CC(=O)NC)CC1 ZINC000367360710 418592011 /nfs/dbraw/zinc/59/20/11/418592011.db2.gz JZRVAVFUXKZDGV-HNNXBMFYSA-N 0 3 305.422 1.597 20 10 DDCDHN COc1ccc(O)c([C@@H](C)N2CCC(S(N)(=O)=O)CC2)c1 ZINC000377631509 418711909 /nfs/dbraw/zinc/71/19/09/418711909.db2.gz USJOSKQZOBRSCH-SNVBAGLBSA-N 0 3 314.407 1.215 20 10 DDCDHN CC[C@H](N)C(=O)N(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000378208039 418719991 /nfs/dbraw/zinc/71/99/91/418719991.db2.gz FERXQWQNUQWPMK-INIZCTEOSA-N 0 3 305.422 1.860 20 10 DDCDHN CCCOc1ccc(CN2CC[C@H]3OCC(=O)N[C@H]3C2)c(O)c1 ZINC000370717257 418747509 /nfs/dbraw/zinc/74/75/09/418747509.db2.gz SHIJSQXMOVKBGM-GOEBONIOSA-N 0 3 320.389 1.270 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000368796402 418726123 /nfs/dbraw/zinc/72/61/23/418726123.db2.gz JDEJDKRAHCSYNU-HIFRSBDPSA-N 0 3 324.446 1.999 20 10 DDCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000368796402 418726126 /nfs/dbraw/zinc/72/61/26/418726126.db2.gz JDEJDKRAHCSYNU-HIFRSBDPSA-N 0 3 324.446 1.999 20 10 DDCDHN NS(=O)(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000372740090 418898615 /nfs/dbraw/zinc/89/86/15/418898615.db2.gz LTDXIBLRDSZYGO-ZDUSSCGKSA-N 0 3 320.414 1.798 20 10 DDCDHN NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000372740090 418898616 /nfs/dbraw/zinc/89/86/16/418898616.db2.gz LTDXIBLRDSZYGO-ZDUSSCGKSA-N 0 3 320.414 1.798 20 10 DDCDHN COc1ccc(N2CCN(CCC3OCCO3)CC2)cc1F ZINC000124619870 524424710 /nfs/dbraw/zinc/42/47/10/524424710.db2.gz NBJAPRVOSHPVOL-UHFFFAOYSA-N 0 3 310.369 1.719 20 10 DDCDHN COc1cccc(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1O ZINC000130251882 525993546 /nfs/dbraw/zinc/99/35/46/525993546.db2.gz ZSCOUOBAKIQNJY-AAEUAGOBSA-N 0 3 319.405 1.825 20 10 DDCDHN CCOc1ccc(O)c(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1 ZINC000284500779 535752374 /nfs/dbraw/zinc/75/23/74/535752374.db2.gz XPHKYTOMGKMQEO-ZIAGYGMSSA-N 0 3 308.422 1.678 20 10 DDCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NC1CC1 ZINC000747815686 700087819 /nfs/dbraw/zinc/08/78/19/700087819.db2.gz LFAQHZOMMNOUKP-ZIAGYGMSSA-N 0 3 317.433 1.841 20 10 DDCDHN CSCC[C@H](N)C(=O)NCCCSc1nccs1 ZINC000160060209 697314757 /nfs/dbraw/zinc/31/47/57/697314757.db2.gz XFRKPPHBTPTMCV-VIFPVBQESA-N 0 3 305.494 1.822 20 10 DDCDHN C[C@H](O)CN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000189840124 697581011 /nfs/dbraw/zinc/58/10/11/697581011.db2.gz UILHWROTXWTPGX-INIZCTEOSA-N 0 3 319.449 1.022 20 10 DDCDHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774479769 697883840 /nfs/dbraw/zinc/88/38/40/697883840.db2.gz UBNTUQARTYAWEV-NWDGAFQWSA-N 0 3 306.410 1.637 20 10 DDCDHN OCC[C@]1(NCc2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000775029643 697956112 /nfs/dbraw/zinc/95/61/12/697956112.db2.gz PZWYUWVBHGYTJJ-KRWDZBQOSA-N 0 3 324.396 1.293 20 10 DDCDHN Oc1cc2c(cc1CN1CCC(O)(C(F)F)CC1)[C@@H](O)CO2 ZINC000777575230 698204474 /nfs/dbraw/zinc/20/44/74/698204474.db2.gz QZRGFHBJDJVUAG-LBPRGKRZSA-N 0 3 315.316 1.410 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)[C@@H](O)CO2 ZINC000789506629 699390805 /nfs/dbraw/zinc/39/08/05/699390805.db2.gz NDWDOSCHXBIMCF-KBMXLJTQSA-N 0 3 305.374 1.961 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)[C@@H](O)CO2 ZINC000789506629 699390809 /nfs/dbraw/zinc/39/08/09/699390809.db2.gz NDWDOSCHXBIMCF-KBMXLJTQSA-N 0 3 305.374 1.961 20 10 DDCDHN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000734285638 699646690 /nfs/dbraw/zinc/64/66/90/699646690.db2.gz QRIUINRBUGLZJZ-RYUDHWBXSA-N 0 3 319.405 1.998 20 10 DDCDHN C[C@H]1C[C@H]([NH2+]CC(=O)N2CCN(C)CC2)c2c1c(F)ccc2[O-] ZINC000756491627 700623946 /nfs/dbraw/zinc/62/39/46/700623946.db2.gz WUSXHKXHBRFAAJ-AAEUAGOBSA-N 0 3 321.396 1.443 20 10 DDCDHN C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756605180 700631257 /nfs/dbraw/zinc/63/12/57/700631257.db2.gz RDCJHGQPYYLWNU-JTQLQIEISA-N 0 3 300.349 1.778 20 10 DDCDHN Oc1cc2c(cc1CN1CCN(CC3CC3)CC1)[C@@H](O)CO2 ZINC000768441649 701176834 /nfs/dbraw/zinc/17/68/34/701176834.db2.gz FFBCDPYXUBQXFN-INIZCTEOSA-N 0 3 304.390 1.346 20 10 DDCDHN COc1cc(O)c(CN2CCC(OC(C)=O)CC2)cc1OC ZINC000768463790 701179957 /nfs/dbraw/zinc/17/99/57/701179957.db2.gz WYQYJMGSHPJFBH-UHFFFAOYSA-N 0 3 309.362 1.937 20 10 DDCDHN CCOc1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c(O)c1 ZINC000769328489 701241507 /nfs/dbraw/zinc/24/15/07/701241507.db2.gz PURUQBWOZHHYJK-IRXDYDNUSA-N 0 3 320.433 1.822 20 10 DDCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H](C)N1CCO ZINC000840134323 701989168 /nfs/dbraw/zinc/98/91/68/701989168.db2.gz MVMVYHSOBAOEGJ-OKILXGFUSA-N 0 3 315.417 1.827 20 10 DDCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H](C)N1CCO ZINC000840134323 701989171 /nfs/dbraw/zinc/98/91/71/701989171.db2.gz MVMVYHSOBAOEGJ-OKILXGFUSA-N 0 3 315.417 1.827 20 10 DDCDHN COCCNC(=O)C1([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000840822751 702250178 /nfs/dbraw/zinc/25/01/78/702250178.db2.gz QIGGWTFDNYAJTA-JQWIXIFHSA-N 0 3 322.380 1.964 20 10 DDCDHN COCCNC(=O)C1(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000840822751 702250184 /nfs/dbraw/zinc/25/01/84/702250184.db2.gz QIGGWTFDNYAJTA-JQWIXIFHSA-N 0 3 322.380 1.964 20 10 DDCDHN COC[C@]1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CCCN1 ZINC000817975450 702541193 /nfs/dbraw/zinc/54/11/93/702541193.db2.gz UWGUWWZVBKJHJU-XHDPSFHLSA-N 0 3 309.366 1.720 20 10 DDCDHN COC(=O)CNC(=O)[C@@H]1CCCN1Cc1cc(C)c(C)cc1O ZINC000841892836 702608423 /nfs/dbraw/zinc/60/84/23/702608423.db2.gz YGTFQLGIZOGATM-AWEZNQCLSA-N 0 3 320.389 1.263 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](n3ccnn3)C1)[C@H](O)CO2 ZINC000819895978 704182946 /nfs/dbraw/zinc/18/29/46/704182946.db2.gz CSWFHOZCWOACEW-IUODEOHRSA-N 0 3 316.361 1.247 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](n3ccnn3)C1)[C@H](O)CO2 ZINC000819895978 704182947 /nfs/dbraw/zinc/18/29/47/704182947.db2.gz CSWFHOZCWOACEW-IUODEOHRSA-N 0 3 316.361 1.247 20 10 DDCDHN Oc1cc2c(cc1CN1CCC[C@@H](n3ccnn3)C1)[C@H](O)CO2 ZINC000819895978 704182948 /nfs/dbraw/zinc/18/29/48/704182948.db2.gz CSWFHOZCWOACEW-IUODEOHRSA-N 0 3 316.361 1.247 20 10 DDCDHN COc1cc(O)c(CN2CC[C@@H](N3CCOC3=O)C2)cc1OC ZINC000853539861 704263566 /nfs/dbraw/zinc/26/35/66/704263566.db2.gz WSHPDPJCUOEISH-GFCCVEGCSA-N 0 3 322.361 1.436 20 10 DDCDHN COc1cc(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c(O)cc1C ZINC000853585455 704276054 /nfs/dbraw/zinc/27/60/54/704276054.db2.gz YLEYSLDJOWZGQG-CQSZACIVSA-N 0 3 321.421 1.897 20 10 DDCDHN Nc1nc(N)nc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000858354912 704698958 /nfs/dbraw/zinc/69/89/58/704698958.db2.gz VZODCIQTAYNSHH-UHFFFAOYSA-N 0 3 317.422 1.201 20 10 DDCDHN CC[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NC ZINC000834914837 707147503 /nfs/dbraw/zinc/14/75/03/707147503.db2.gz WWWNHZKAMJGNSY-IUODEOHRSA-N 0 3 323.412 1.838 20 10 DDCDHN C[C@H]1CCNC(=O)[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877498299 706123291 /nfs/dbraw/zinc/12/32/91/706123291.db2.gz BBDSXQSLZGOLRQ-GUYCJALGSA-N 0 3 317.433 1.262 20 10 DDCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H](O)C(F)(F)F ZINC000865711839 706503464 /nfs/dbraw/zinc/50/34/64/706503464.db2.gz RTDNGBUNFOJDNN-SMDDNHRTSA-N 0 3 318.339 1.925 20 10 DDCDHN COc1cccc(C[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1O ZINC000898158765 708560640 /nfs/dbraw/zinc/56/06/40/708560640.db2.gz DWPRXODIMOZUBP-GFCCVEGCSA-N 0 3 316.361 1.265 20 10 DDCDHN CN(C)c1ccc([C@H](CN2C(=O)N[C@@H](CF)C2=O)N(C)C)cc1 ZINC000900185066 709319414 /nfs/dbraw/zinc/31/94/14/709319414.db2.gz JFWAOMIXELZMBR-KBPBESRZSA-N 0 3 322.384 1.245 20 10 DDCDHN CC[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)OC ZINC000901707448 710127695 /nfs/dbraw/zinc/12/76/95/710127695.db2.gz XCFYGNHJMLMBNE-CVEARBPZSA-N 0 3 307.438 1.897 20 10 DDCDHN COc1ccc(CN(C)CCN2CCCC2=O)c(O)c1OC ZINC000892012920 710352579 /nfs/dbraw/zinc/35/25/79/710352579.db2.gz JAIWLSSMAFQGBF-UHFFFAOYSA-N 0 3 308.378 1.464 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)Cc2c[nH]cn2)cc1 ZINC000911891418 711054886 /nfs/dbraw/zinc/05/48/86/711054886.db2.gz GJUUJKCVJVCPFH-UHFFFAOYSA-N 0 3 302.378 1.556 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCOC(C)(C)C2)c1 ZINC000930217058 713779743 /nfs/dbraw/zinc/77/97/43/713779743.db2.gz RNWRXPQBCYSQBI-GFCCVEGCSA-N 0 3 322.405 1.689 20 10 DDCDHN COc1ccc(N(C)CCN(C)C[C@@H](O)C2(O)CCC2)cc1 ZINC000930853643 713937774 /nfs/dbraw/zinc/93/77/74/713937774.db2.gz WDHOORVMIULIFV-MRXNPFEDSA-N 0 3 308.422 1.339 20 10 DDCDHN CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC001116437018 780508468 /nfs/dbraw/zinc/50/84/68/780508468.db2.gz OAWNFYDHLFDCGB-WBMJQRKESA-N 0 3 320.389 1.118 20 10 DDCDHN CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC001116437018 780508474 /nfs/dbraw/zinc/50/84/74/780508474.db2.gz OAWNFYDHLFDCGB-WBMJQRKESA-N 0 3 320.389 1.118 20 10 DDCDHN CCOc1ccc(C[N@@H+]2CCC[C@]23CCN(C)C3=O)c([O-])c1 ZINC001274764947 852586133 /nfs/dbraw/zinc/58/61/33/852586133.db2.gz DXLDQUZYUZCDLP-QGZVFWFLSA-N 0 3 304.390 1.988 20 10 DDCDHN CCOc1ccc(C[N@H+]2CCC[C@]23CCN(C)C3=O)c([O-])c1 ZINC001274764947 852586139 /nfs/dbraw/zinc/58/61/39/852586139.db2.gz DXLDQUZYUZCDLP-QGZVFWFLSA-N 0 3 304.390 1.988 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC001122173137 858702930 /nfs/dbraw/zinc/70/29/30/858702930.db2.gz IWIRSRGXDKRVDJ-SECBINFHSA-N 0 3 304.325 1.261 20 10 DDCDHN CCN1CCN(c2ccc(CN3CCNC(=O)[C@H]3C)cc2)CC1 ZINC001140304023 860614656 /nfs/dbraw/zinc/61/46/56/860614656.db2.gz DZNOSNCTKMAIRY-OAHLLOKOSA-N 0 3 316.449 1.149 20 10 DDCDHN CCN(CC)c1ccc(CN2CC(C(=O)N(C)C)C2)c(O)c1 ZINC001140854958 860714514 /nfs/dbraw/zinc/71/45/14/860714514.db2.gz HUXVABBXABAMGQ-UHFFFAOYSA-N 0 3 305.422 1.758 20 10 DDCDHN COc1cc([O-])c(C[NH+]2CCC3(CC2)OCCO3)c(OC)c1 ZINC001141026281 860765788 /nfs/dbraw/zinc/76/57/88/860765788.db2.gz JYUVXLHCEQYFLG-UHFFFAOYSA-N 0 3 309.362 1.748 20 10 DDCDHN COc1cc(O)c(CN2CCC3(CC2)OCCO3)c(OC)c1 ZINC001141026281 860765794 /nfs/dbraw/zinc/76/57/94/860765794.db2.gz JYUVXLHCEQYFLG-UHFFFAOYSA-N 0 3 309.362 1.748 20 10 DDCDHN COc1ccc(N2CCN(C)C[C@@]3(CCCC(=O)N3)C2)cc1F ZINC001277009121 881609432 /nfs/dbraw/zinc/60/94/32/881609432.db2.gz FWVXOVGAUJYJHD-KRWDZBQOSA-N 0 3 321.396 1.625 20 10 DDCDHN CCOc1ccc(N2CCN(CCc3c[nH]nn3)CC2)cc1 ZINC001329877407 863914227 /nfs/dbraw/zinc/91/42/27/863914227.db2.gz ROPOGWFNBDWFTE-UHFFFAOYSA-N 0 3 301.394 1.568 20 10 DDCDHN CN1CCN(c2ccc(CN3CC[C@](C)(O)C3)cc2F)CC1 ZINC001321863843 867839011 /nfs/dbraw/zinc/83/90/11/867839011.db2.gz YHLLBDDPMQMWJN-KRWDZBQOSA-N 0 3 307.413 1.534 20 10 DDCDHN C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@@H]2C1 ZINC001336970868 869240213 /nfs/dbraw/zinc/24/02/13/869240213.db2.gz JQEGDSDATMVALM-FRRDWIJNSA-N 0 3 304.390 1.900 20 10 DDCDHN CCNC(=O)CO[C@@H]1CCCN(Cc2cccc(OC)c2O)C1 ZINC001203596835 870661435 /nfs/dbraw/zinc/66/14/35/870661435.db2.gz OFMBZOHCEYAMGQ-CQSZACIVSA-N 0 3 322.405 1.518 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC001344822314 873135289 /nfs/dbraw/zinc/13/52/89/873135289.db2.gz QESKZDPMHUNYPE-WPGHFRTFSA-N 0 3 322.380 1.695 20 10 DDCDHN CC[N@H+](CCC(N)=O)Cc1cc(O)c(Br)cc1[O-] ZINC001236776639 889350742 /nfs/dbraw/zinc/35/07/42/889350742.db2.gz ZCONXDKVTHBWKM-UHFFFAOYSA-N 0 3 317.183 1.558 20 10 DDCDHN CC[N@@H+](CCC(N)=O)Cc1cc(O)c(Br)cc1[O-] ZINC001236776639 889350753 /nfs/dbraw/zinc/35/07/53/889350753.db2.gz ZCONXDKVTHBWKM-UHFFFAOYSA-N 0 3 317.183 1.558 20 10 DDCDHN Cc1ccc(CN2CC3(C[C@@H]3C(=O)NCC(F)F)C2)c(O)c1 ZINC001277568777 885884507 /nfs/dbraw/zinc/88/45/07/885884507.db2.gz PZSPDVYGSHYNNV-GFCCVEGCSA-N 0 3 310.344 1.904 20 10 DDCDHN COc1cc(N(C)C)ccc1CN1CCC2(C[C@H](O)CO2)CC1 ZINC001231852476 885907841 /nfs/dbraw/zinc/90/78/41/885907841.db2.gz WJFVUODJMJNYHK-INIZCTEOSA-N 0 3 320.433 1.877 20 10 DDCDHN O=C(NC1CCN(Cc2cc(O)c(O)cc2O)CC1)C1CC1 ZINC001233485478 887017149 /nfs/dbraw/zinc/01/71/49/887017149.db2.gz XFJHFNAWXSXZNM-UHFFFAOYSA-N 0 3 306.362 1.294 20 10 DDCDHN COC(=O)[C@@H]1CNCCN1Cc1ccc2c(c1)CCCN2C ZINC001236054835 889080838 /nfs/dbraw/zinc/08/08/38/889080838.db2.gz HZIMTGKBMAPIHV-INIZCTEOSA-N 0 3 303.406 1.016 20 10 DDCDHN COc1cc(O)c(CN2CC[C@H](N(C)C(C)=O)C2)cc1OC ZINC001236751270 889329994 /nfs/dbraw/zinc/32/99/94/889329994.db2.gz DTWYTBXQTAMCNK-ZDUSSCGKSA-N 0 3 308.378 1.462 20 10 DDCDHN COc1cc(C)c(C[NH+]2CCC3(CC2)COCC(=O)N3)c([O-])c1 ZINC001236807638 889364634 /nfs/dbraw/zinc/36/46/34/889364634.db2.gz HIYFWQDOLAZVIH-UHFFFAOYSA-N 0 3 320.389 1.190 20 10 DDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c([O-])c1 ZINC001236813440 889366843 /nfs/dbraw/zinc/36/68/43/889366843.db2.gz KPHWEWUNHPGSER-CQSZACIVSA-N 0 3 306.406 1.616 20 10 DDCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c([O-])c1 ZINC001236813440 889366856 /nfs/dbraw/zinc/36/68/56/889366856.db2.gz KPHWEWUNHPGSER-CQSZACIVSA-N 0 3 306.406 1.616 20 10 DDCDHN COc1cc(C)c(CN2CCC[C@@]3(CNC(=O)O3)C2)c(O)c1 ZINC001236810051 889367821 /nfs/dbraw/zinc/36/78/21/889367821.db2.gz BFNFZGYRWKDNIZ-MRXNPFEDSA-N 0 3 306.362 1.784 20 10 DDCDHN COc1cc(CN2CCC(N(C)C(C)=O)CC2)c(O)c(OC)c1 ZINC001237679990 889802078 /nfs/dbraw/zinc/80/20/78/889802078.db2.gz HLLYTIUTKGJJOW-UHFFFAOYSA-N 0 3 322.405 1.852 20 10 DDCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)CNC(=O)CO3)c1[O-] ZINC001237687352 889805910 /nfs/dbraw/zinc/80/59/10/889805910.db2.gz YDGOYRRJTBQXEX-UHFFFAOYSA-N 0 3 324.808 1.835 20 10 DDCDHN CCOc1ccc(N2CCN(CC3(O)CCOCC3)CC2)cc1 ZINC001252965905 895588052 /nfs/dbraw/zinc/58/80/52/895588052.db2.gz NUEALXRRXOVOHX-UHFFFAOYSA-N 0 3 320.433 1.749 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCOCCS(C)(=O)=O)c1 ZINC000273450718 130123521 /nfs/dbraw/zinc/12/35/21/130123521.db2.gz FZJNQBIWWJHTPC-LLVKDONJSA-N 0 3 317.407 1.113 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CCCn2cc(CO)nn2)c([O-])c1C ZINC000289578547 131398327 /nfs/dbraw/zinc/39/83/27/131398327.db2.gz BIZUTZXJPGSLQM-ZDUSSCGKSA-N 0 3 304.394 1.834 20 10 DDCDHN C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(F)ccc1[O-] ZINC000186055024 407569827 /nfs/dbraw/zinc/56/98/27/407569827.db2.gz SWDKTLNJCUETTD-QMTHXVAHSA-N 0 3 318.352 1.721 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000296549548 286840086 /nfs/dbraw/zinc/84/00/86/286840086.db2.gz RKLXCXZEZPZZLC-OCCSQVGLSA-N 0 3 313.467 1.731 20 10 DDCDHN CCC[C@@](C)(N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000272319109 407865009 /nfs/dbraw/zinc/86/50/09/407865009.db2.gz KSDKAGCBSGOHEL-QGZVFWFLSA-N 0 3 323.412 1.796 20 10 DDCDHN CCN(C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000154214023 407995238 /nfs/dbraw/zinc/99/52/38/407995238.db2.gz XSWGOMYLPLPXOG-UHFFFAOYSA-N 0 3 302.422 1.814 20 10 DDCDHN COc1ccc(N2CCN(C[C@@H](O)CN(C)C3CC3)CC2)cc1 ZINC000273248953 408125707 /nfs/dbraw/zinc/12/57/07/408125707.db2.gz VVBZFQUJNXKRPG-KRWDZBQOSA-N 0 3 319.449 1.272 20 10 DDCDHN C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(F)ccc1[O-] ZINC000273604106 408261991 /nfs/dbraw/zinc/26/19/91/408261991.db2.gz SRUBREFITRECOW-CMPLNLGQSA-N 0 3 316.398 1.606 20 10 DDCDHN Cc1cc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)ccc1N(C)C ZINC000294149365 409248758 /nfs/dbraw/zinc/24/87/58/409248758.db2.gz OUENTHHVKPSROX-CABCVRRESA-N 0 3 303.406 1.991 20 10 DDCDHN COc1ccc(N2CCN(CCc3cncn3C)CC2)cc1 ZINC000290064584 409295284 /nfs/dbraw/zinc/29/52/84/409295284.db2.gz PNZKQLWVBLSCPS-UHFFFAOYSA-N 0 3 300.406 1.793 20 10 DDCDHN COc1ccc(N2CCN(C[C@@H]3CCNC(=O)CC3)CC2)cc1 ZINC000296458103 409565917 /nfs/dbraw/zinc/56/59/17/409565917.db2.gz JEOWMCJZNBAEHT-HNNXBMFYSA-N 0 3 317.433 1.734 20 10 DDCDHN CCN1CCC[C@H](NC(=O)NCc2ccc3c(c2)CCN3C)C1 ZINC000373596094 418443700 /nfs/dbraw/zinc/44/37/00/418443700.db2.gz KLSANQJTLZYVOB-INIZCTEOSA-N 0 3 316.449 1.962 20 10 DDCDHN COc1ccc(O)c([C@H](C)N2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000364414985 418777271 /nfs/dbraw/zinc/77/72/71/418777271.db2.gz HNVWXOZQQKXSNR-QWHCGFSZSA-N 0 3 319.405 1.951 20 10 DDCDHN CN1CCC2(CC[NH+](Cc3cc4c(cc3[O-])OCO4)CC2)C1=O ZINC000365740706 418902277 /nfs/dbraw/zinc/90/22/77/418902277.db2.gz WKQXNRCWQPDPLI-UHFFFAOYSA-N 0 3 318.373 1.565 20 10 DDCDHN CCCNC(=O)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775832087 698042484 /nfs/dbraw/zinc/04/24/84/698042484.db2.gz XHVCIVHQEJHQCN-GFCCVEGCSA-N 0 3 306.410 1.639 20 10 DDCDHN COC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000776174745 698076270 /nfs/dbraw/zinc/07/62/70/698076270.db2.gz RWGYQOPLWOBIJH-ZDUSSCGKSA-N 0 3 318.211 1.950 20 10 DDCDHN COc1cccc(CN[C@@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000776231113 698085514 /nfs/dbraw/zinc/08/55/14/698085514.db2.gz LWVAGRSPYXOZDG-CQSZACIVSA-N 0 3 320.389 1.270 20 10 DDCDHN COC[C@@](C)(CO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000777483556 698193344 /nfs/dbraw/zinc/19/33/44/698193344.db2.gz TYVWPVDLOKUIIA-MRXNPFEDSA-N 0 3 312.385 1.149 20 10 DDCDHN COC[C@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000801732905 700335230 /nfs/dbraw/zinc/33/52/30/700335230.db2.gz CRHDYGRULRFVTK-CQSZACIVSA-N 0 3 323.393 1.682 20 10 DDCDHN CCNS(=O)(=O)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756706636 700637182 /nfs/dbraw/zinc/63/71/82/700637182.db2.gz BONOPDSJTHOSGG-ONGXEEELSA-N 0 3 316.398 1.609 20 10 DDCDHN COC(=O)c1cc(C[NH2+]Cc2ccc(OC)cc2[O-])cn1C ZINC000809658126 701678989 /nfs/dbraw/zinc/67/89/89/701678989.db2.gz DXLGWNIQVQWUIM-UHFFFAOYSA-N 0 3 304.346 1.816 20 10 DDCDHN O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc([O-])cs1 ZINC000764833250 700987784 /nfs/dbraw/zinc/98/77/84/700987784.db2.gz OTEXLHRFLZKIOD-ZIAGYGMSSA-N 0 3 324.446 1.951 20 10 DDCDHN CCOc1ccc(C[NH2+][C@@]2(CC(=O)OC)CCOC2)c([O-])c1 ZINC000766465653 701051953 /nfs/dbraw/zinc/05/19/53/701051953.db2.gz BVOPOYSJCLJSBO-MRXNPFEDSA-N 0 3 309.362 1.603 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+](C[C@@H]1CCOC1)C1CC1)[C@@H](O)CO2 ZINC000768440215 701177028 /nfs/dbraw/zinc/17/70/28/701177028.db2.gz UKZXMSJCANVUKX-ZBEGNZNMSA-N 0 3 305.374 1.819 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+](C[C@@H]1CCOC1)C1CC1)[C@@H](O)CO2 ZINC000768440215 701177031 /nfs/dbraw/zinc/17/70/31/701177031.db2.gz UKZXMSJCANVUKX-ZBEGNZNMSA-N 0 3 305.374 1.819 20 10 DDCDHN COCCOC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768445815 701177624 /nfs/dbraw/zinc/17/76/24/701177624.db2.gz ILEXAOPONDWSBB-INIZCTEOSA-N 0 3 323.389 1.445 20 10 DDCDHN C[N@H+](CCc1cnccn1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000770664509 701288810 /nfs/dbraw/zinc/28/88/10/701288810.db2.gz XOOCDSIGWUFSKL-HNNXBMFYSA-N 0 3 301.346 1.283 20 10 DDCDHN C[N@@H+](CCc1cnccn1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000770664509 701288811 /nfs/dbraw/zinc/28/88/11/701288811.db2.gz XOOCDSIGWUFSKL-HNNXBMFYSA-N 0 3 301.346 1.283 20 10 DDCDHN COCCNC(=O)C1([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000840822753 702250236 /nfs/dbraw/zinc/25/02/36/702250236.db2.gz QIGGWTFDNYAJTA-PWSUYJOCSA-N 0 3 322.380 1.964 20 10 DDCDHN COCCNC(=O)C1(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000840822753 702250243 /nfs/dbraw/zinc/25/02/43/702250243.db2.gz QIGGWTFDNYAJTA-PWSUYJOCSA-N 0 3 322.380 1.964 20 10 DDCDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841758790 702557496 /nfs/dbraw/zinc/55/74/96/702557496.db2.gz DDQGRMHBFFYUFL-NWDGAFQWSA-N 0 3 308.401 1.784 20 10 DDCDHN C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H](C)CN1 ZINC000841759750 702558185 /nfs/dbraw/zinc/55/81/85/702558185.db2.gz PODWVJQWXQAHTD-KBPBESRZSA-N 0 3 316.449 1.961 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000841823619 702572996 /nfs/dbraw/zinc/57/29/96/702572996.db2.gz DPSXKTQLPLECDB-ZIAGYGMSSA-N 0 3 304.438 1.953 20 10 DDCDHN Cn1cc([C@@H]2CN(Cc3c([O-])cccc3Cl)C[C@H]2[NH3+])cn1 ZINC000818430903 702647249 /nfs/dbraw/zinc/64/72/49/702647249.db2.gz BFVBWZPTVBXAJK-SMDDNHRTSA-N 0 3 306.797 1.706 20 10 DDCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CNCCO1 ZINC000842011636 702655286 /nfs/dbraw/zinc/65/52/86/702655286.db2.gz QRFAYOSPBYNCIA-CQSZACIVSA-N 0 3 307.394 1.302 20 10 DDCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)CN(C)C ZINC000819825060 704177118 /nfs/dbraw/zinc/17/71/18/704177118.db2.gz PWYDNKXDHSNXBT-CYBMUJFWSA-N 0 3 321.446 1.808 20 10 DDCDHN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000855229073 704474249 /nfs/dbraw/zinc/47/42/49/704474249.db2.gz HKUCNSXYMSVMQK-PBHICJAKSA-N 0 3 319.449 1.976 20 10 DDCDHN Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c([O-])c1O ZINC000856253867 704520195 /nfs/dbraw/zinc/52/01/95/704520195.db2.gz PPPUKASGPCTVJL-CYBMUJFWSA-N 0 3 320.389 1.077 20 10 DDCDHN Cc1ccc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c([O-])c1O ZINC000856253867 704520196 /nfs/dbraw/zinc/52/01/96/704520196.db2.gz PPPUKASGPCTVJL-CYBMUJFWSA-N 0 3 320.389 1.077 20 10 DDCDHN COCC[C@](C)(O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858138450 704669594 /nfs/dbraw/zinc/66/95/94/704669594.db2.gz AOEJMYKLFSPYIW-HNNXBMFYSA-N 0 3 302.365 1.908 20 10 DDCDHN CCN1C(=O)[C@H]2CN(Cc3ccc(C)cc3O)CCN2C1=O ZINC000876803731 705884347 /nfs/dbraw/zinc/88/43/47/705884347.db2.gz KCWRXDHPEZGXRK-CYBMUJFWSA-N 0 3 303.362 1.169 20 10 DDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(CN)cnn1C ZINC000876873735 705901209 /nfs/dbraw/zinc/90/12/09/705901209.db2.gz POHNDOOWRSEBPM-UHFFFAOYSA-N 0 3 315.421 1.607 20 10 DDCDHN NC(C(=O)NCc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC000827007879 705911325 /nfs/dbraw/zinc/91/13/25/705911325.db2.gz FUMLPZBWXWGXAE-LBPRGKRZSA-N 0 3 301.312 1.793 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000877076074 705977264 /nfs/dbraw/zinc/97/72/64/705977264.db2.gz JLWAKXQAJLLGGK-PXAZEXFGSA-N 0 3 317.389 1.511 20 10 DDCDHN Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c([O-])c1 ZINC000877654297 706171109 /nfs/dbraw/zinc/17/11/09/706171109.db2.gz XRZFFUOZQZLNML-CQSZACIVSA-N 0 3 324.388 1.507 20 10 DDCDHN COc1cc([N+](=O)[O-])c(N2C[C@@H]3CCN(C)[C@@H]3C2)cc1OC ZINC000828987443 706269220 /nfs/dbraw/zinc/26/92/20/706269220.db2.gz DPRBGEAWKNQATD-GXFFZTMASA-N 0 3 307.350 1.752 20 10 DDCDHN C[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCN1CCO ZINC000835044957 707161559 /nfs/dbraw/zinc/16/15/59/707161559.db2.gz DYNFPGKJGIZSLF-APHBUQMISA-N 0 3 303.450 1.764 20 10 DDCDHN COc1cc(O)c(CN[C@H]2C[C@H]3CCCCN3C2=O)cc1OC ZINC000835072237 707167223 /nfs/dbraw/zinc/16/72/23/707167223.db2.gz DCWIVFMUEWXAMR-OLZOCXBDSA-N 0 3 320.389 1.652 20 10 DDCDHN COC[C@@](C)(CO)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000873069961 707718450 /nfs/dbraw/zinc/71/84/50/707718450.db2.gz TULXTHRGYKJATA-QGZVFWFLSA-N 0 3 319.405 1.427 20 10 DDCDHN CN1CCN(c2ccc(CN[C@H]3CCn4ccnc43)cc2)CC1 ZINC000883290726 707966625 /nfs/dbraw/zinc/96/66/25/707966625.db2.gz DXTPDCQGTHPKNM-KRWDZBQOSA-N 0 3 311.433 1.870 20 10 DDCDHN CC[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccccc1[O-] ZINC000897830136 708464218 /nfs/dbraw/zinc/46/42/18/708464218.db2.gz OABCFZBOONHPSD-AWEZNQCLSA-N 0 3 312.435 1.859 20 10 DDCDHN COC(=O)[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000901705335 710126547 /nfs/dbraw/zinc/12/65/47/710126547.db2.gz BFAIFHVIJURLII-SJORKVTESA-N 0 3 319.449 1.897 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)CC2OCCO2)N(C)C)cc1 ZINC000891249360 710141313 /nfs/dbraw/zinc/14/13/13/710141313.db2.gz RMSNNUSKCQTDLO-HNNXBMFYSA-N 0 3 321.421 1.235 20 10 DDCDHN CO[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CC1 ZINC000891248755 710141358 /nfs/dbraw/zinc/14/13/58/710141358.db2.gz NSGZDCWMLSWUET-IRXDYDNUSA-N 0 3 319.449 1.897 20 10 DDCDHN CC[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccc(C)cc1[O-] ZINC000903279662 711086016 /nfs/dbraw/zinc/08/60/16/711086016.db2.gz RBHRZXCNPYGDIC-NVXWUHKLSA-N 0 3 308.422 1.434 20 10 DDCDHN COc1cccc(CNCc2c3c(nn2C)CCOC3)c1O ZINC000894459025 711132424 /nfs/dbraw/zinc/13/24/24/711132424.db2.gz ZZGJWISMDISZAV-UHFFFAOYSA-N 0 3 303.362 1.497 20 10 DDCDHN COc1ccc(CNCc2n[nH]c(C(C)C)n2)c(O)c1OC ZINC000894677131 711236621 /nfs/dbraw/zinc/23/66/21/711236621.db2.gz SVWWXYPGOCEEEM-UHFFFAOYSA-N 0 3 306.366 1.941 20 10 DDCDHN COc1ccc(CN2CC[C@](O)(C(F)F)C2)c(O)c1OC ZINC000894706823 711243947 /nfs/dbraw/zinc/24/39/47/711243947.db2.gz HIQCACMKKSXUAQ-CQSZACIVSA-N 0 3 303.305 1.611 20 10 DDCDHN C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(F)cc(F)c1[O-] ZINC000895026678 711375053 /nfs/dbraw/zinc/37/50/53/711375053.db2.gz YSSZSRVYRZWESR-WDEREUQCSA-N 0 3 300.349 1.557 20 10 DDCDHN C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc(F)cc(F)c1[O-] ZINC000895026678 711375055 /nfs/dbraw/zinc/37/50/55/711375055.db2.gz YSSZSRVYRZWESR-WDEREUQCSA-N 0 3 300.349 1.557 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]CC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000895206497 711453522 /nfs/dbraw/zinc/45/35/22/711453522.db2.gz FNCDRPCZUUCGCF-UHFFFAOYSA-N 0 3 322.405 1.772 20 10 DDCDHN COc1ccc(CN2CCC3=C(CCC(=O)N3)C2)c(O)c1OC ZINC000895304909 711479773 /nfs/dbraw/zinc/47/97/73/711479773.db2.gz RRPXBFLEJKRULA-UHFFFAOYSA-N 0 3 318.373 1.779 20 10 DDCDHN COc1cc(Cl)cc(CN2C[C@@H](O)C[C@]2(C)CO)c1O ZINC000895329911 711486200 /nfs/dbraw/zinc/48/62/00/711486200.db2.gz KWDFRHIDAZHZNL-SMDDNHRTSA-N 0 3 301.770 1.372 20 10 DDCDHN C[C@@](O)(CNCc1ccc(N2CCOCC2)c(F)c1)C(F)F ZINC000905053202 711921456 /nfs/dbraw/zinc/92/14/56/711921456.db2.gz ZOGFMRVOKSJBPQ-OAHLLOKOSA-N 0 3 318.339 1.768 20 10 DDCDHN CN(C)CCn1nccc1C(=O)N1Cc2cccc(O)c2C1 ZINC000913726446 713290117 /nfs/dbraw/zinc/29/01/17/713290117.db2.gz PGSMIEQYADQULG-UHFFFAOYSA-N 0 3 300.362 1.306 20 10 DDCDHN COCCOC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000908460463 712779525 /nfs/dbraw/zinc/77/95/25/712779525.db2.gz UOBSKEROTDEZQB-HNNXBMFYSA-N 0 3 309.410 1.728 20 10 DDCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)C[C@]1(O)CCOC1 ZINC000930349971 713811163 /nfs/dbraw/zinc/81/11/63/713811163.db2.gz CTNRSGIPDDNGKG-SJLPKXTDSA-N 0 3 323.433 1.897 20 10 DDCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)C[C@]1(O)CCOC1 ZINC000930349971 713811167 /nfs/dbraw/zinc/81/11/67/713811167.db2.gz CTNRSGIPDDNGKG-SJLPKXTDSA-N 0 3 323.433 1.897 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922950554 714195367 /nfs/dbraw/zinc/19/53/67/714195367.db2.gz NFPMZKNMJFMWPA-CQSZACIVSA-N 0 3 306.406 1.744 20 10 DDCDHN Cc1cc(N2CCN(Cc3c(O)cc(O)cc3O)CC2)ncn1 ZINC001144515983 772558820 /nfs/dbraw/zinc/55/88/20/772558820.db2.gz LVKNCXYRQDVZNU-UHFFFAOYSA-N 0 3 316.361 1.224 20 10 DDCDHN CC(C)N(CCN(C)C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001118953761 781282754 /nfs/dbraw/zinc/28/27/54/781282754.db2.gz WQTFQMXSHQICAP-UHFFFAOYSA-N 0 3 319.405 1.033 20 10 DDCDHN C[N@@H+]1CCC2(C1)CCN(C(=O)c1cc(O)c([O-])c(O)c1)CC2 ZINC001270068526 842268024 /nfs/dbraw/zinc/26/80/24/842268024.db2.gz BOKFCBJWOIPIQV-UHFFFAOYSA-N 0 3 306.362 1.361 20 10 DDCDHN C[N@H+]1CCC2(C1)CCN(C(=O)c1cc(O)c([O-])c(O)c1)CC2 ZINC001270068526 842268032 /nfs/dbraw/zinc/26/80/32/842268032.db2.gz BOKFCBJWOIPIQV-UHFFFAOYSA-N 0 3 306.362 1.361 20 10 DDCDHN O=C(NCc1c([O-])cccc1F)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC001122173138 858702799 /nfs/dbraw/zinc/70/27/99/858702799.db2.gz IWIRSRGXDKRVDJ-VIFPVBQESA-N 0 3 304.325 1.261 20 10 DDCDHN CN1CCO[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000769483554 881367635 /nfs/dbraw/zinc/36/76/35/881367635.db2.gz OJKCNJDJJQZREQ-MSOLQXFVSA-N 0 3 317.433 1.038 20 10 DDCDHN CCN(C)C(=O)CO[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC001140056463 860566539 /nfs/dbraw/zinc/56/65/39/860566539.db2.gz XYHOTVLWPXGAAQ-OAHLLOKOSA-N 0 3 324.396 1.991 20 10 DDCDHN CCOC(=O)CN(C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140302161 860614868 /nfs/dbraw/zinc/61/48/68/860614868.db2.gz LNBSRCXJOJTCIH-UHFFFAOYSA-N 0 3 319.449 1.823 20 10 DDCDHN CC(=O)N(C)[C@@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145585 860795681 /nfs/dbraw/zinc/79/56/81/860795681.db2.gz WOCHPKQOWBZWDC-OAHLLOKOSA-N 0 3 303.406 1.568 20 10 DDCDHN C[C@@H]1[C@H](O)CCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324677362 867445214 /nfs/dbraw/zinc/44/52/14/867445214.db2.gz UIYUBFMRZHENDW-CXAGYDPISA-N 0 3 307.413 1.533 20 10 DDCDHN C[C@H]1CN(C(=O)NCc2ccc(N)cc2)CCN(C2CC2)C1 ZINC001335736749 868506237 /nfs/dbraw/zinc/50/62/37/868506237.db2.gz HUCQSYLFRRTTJQ-CYBMUJFWSA-N 0 3 302.422 1.895 20 10 DDCDHN CN1CCN(C)C2(CC[NH+](Cc3ccccc3[O-])CC2)C1=O ZINC001203551547 870636277 /nfs/dbraw/zinc/63/62/77/870636277.db2.gz HUWRWPLFYUSOQY-UHFFFAOYSA-N 0 3 303.406 1.131 20 10 DDCDHN Cc1cncnc1O[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277887 871036612 /nfs/dbraw/zinc/03/66/12/871036612.db2.gz NSBUURLHBAGNPF-AWEZNQCLSA-N 0 3 301.346 1.850 20 10 DDCDHN Cc1cncnc1O[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277887 871036629 /nfs/dbraw/zinc/03/66/29/871036629.db2.gz NSBUURLHBAGNPF-AWEZNQCLSA-N 0 3 301.346 1.850 20 10 DDCDHN C[C@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)c1ccccc1[O-] ZINC001308010432 871461229 /nfs/dbraw/zinc/46/12/29/871461229.db2.gz OGWNUTOZRFEXNZ-NSHDSACASA-N 0 3 313.357 1.780 20 10 DDCDHN COCCOc1ccc(N2CCN(CC3(C)COC3)CC2)cc1 ZINC001207799974 873578194 /nfs/dbraw/zinc/57/81/94/873578194.db2.gz KLNBQFBKACPELY-UHFFFAOYSA-N 0 3 320.433 1.870 20 10 DDCDHN NC(=O)[C@H]1CCC2(C1)CC[NH+](Cc1ccc(O)cc1[O-])CC2 ZINC001277192784 882929881 /nfs/dbraw/zinc/92/98/81/882929881.db2.gz SYTZCSLIJNBVJW-LBPRGKRZSA-N 0 3 304.390 1.965 20 10 DDCDHN O=C(Nc1nnco1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277442597 884300040 /nfs/dbraw/zinc/30/00/40/884300040.db2.gz XUPQBYBFHRFRJK-IAQYHMDHSA-N 0 3 300.318 1.236 20 10 DDCDHN O=C(Nc1nnco1)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277442597 884300060 /nfs/dbraw/zinc/30/00/60/884300060.db2.gz XUPQBYBFHRFRJK-IAQYHMDHSA-N 0 3 300.318 1.236 20 10 DDCDHN O=C([C@H]1CC12C[NH+](Cc1c([O-])cccc1F)C2)N1CC=CC1 ZINC001277492274 885312510 /nfs/dbraw/zinc/31/25/10/885312510.db2.gz XUXWJFHVFFYDTI-CYBMUJFWSA-N 0 3 302.349 1.752 20 10 DDCDHN O=C([C@H]1CC12CN(Cc1c(O)cccc1F)C2)N1CC=CC1 ZINC001277492274 885312530 /nfs/dbraw/zinc/31/25/30/885312530.db2.gz XUXWJFHVFFYDTI-CYBMUJFWSA-N 0 3 302.349 1.752 20 10 DDCDHN COc1ccc(Br)c(CN2CC(N(C)C)C2)c1O ZINC001231546930 885726590 /nfs/dbraw/zinc/72/65/90/885726590.db2.gz CVDNEUVZJBLNBR-UHFFFAOYSA-N 0 3 315.211 1.909 20 10 DDCDHN COC(=O)[C@@H]1CNCCN1Cc1ccc(C(C)(C)C)cc1O ZINC001236056798 889086377 /nfs/dbraw/zinc/08/63/77/889086377.db2.gz RTOOVSKIBPEDCB-AWEZNQCLSA-N 0 3 306.406 1.637 20 10 DDCDHN COc1cnc(N2CCN(Cc3c(C)cccc3O)CC2)nc1 ZINC001237496573 889669791 /nfs/dbraw/zinc/66/97/91/889669791.db2.gz ZDTDYCRXTFIFOD-UHFFFAOYSA-N 0 3 314.389 1.821 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c([O-])c1 ZINC001249208546 893868224 /nfs/dbraw/zinc/86/82/24/893868224.db2.gz VPNUDCOIBSUZAJ-OAHLLOKOSA-N 0 3 307.390 1.843 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c([O-])c1 ZINC001249208546 893868243 /nfs/dbraw/zinc/86/82/43/893868243.db2.gz VPNUDCOIBSUZAJ-OAHLLOKOSA-N 0 3 307.390 1.843 20 10 DDCDHN COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])C[C@H]1C(=O)OC ZINC001257718447 897922656 /nfs/dbraw/zinc/92/26/56/897922656.db2.gz KZUFDNLURXSKAD-MGPQQGTHSA-N 0 3 321.373 1.613 20 10 DDCDHN O=C1CCCN1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000104656530 194022400 /nfs/dbraw/zinc/02/24/00/194022400.db2.gz WBNKRYSUUYWCQC-UHFFFAOYSA-N 0 3 318.373 1.708 20 10 DDCDHN C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccccc1[O-] ZINC000272898578 130072347 /nfs/dbraw/zinc/07/23/47/130072347.db2.gz UQHNLRQPLWCYDI-HOCLYGCPSA-N 0 3 319.449 1.986 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c1 ZINC000273542984 130134810 /nfs/dbraw/zinc/13/48/10/130134810.db2.gz YTVLLBZKBZSMJS-OCCSQVGLSA-N 0 3 323.389 1.974 20 10 DDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000284087212 131047602 /nfs/dbraw/zinc/04/76/02/131047602.db2.gz LTIQBWRDGWKRII-NEPJUHHUSA-N 0 3 313.419 1.876 20 10 DDCDHN CCN(C[C@H](O)CN(C)C1CC1)c1ccc(OC)c(OC)c1 ZINC000289305820 131372443 /nfs/dbraw/zinc/37/24/43/131372443.db2.gz DHAJAHMVEIRWRI-OAHLLOKOSA-N 0 3 308.422 1.985 20 10 DDCDHN Cc1ccc(O)c(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000093821324 407201890 /nfs/dbraw/zinc/20/18/90/407201890.db2.gz OMRFXKJPBMQXHU-INIZCTEOSA-N 0 3 317.433 1.439 20 10 DDCDHN COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])CC2 ZINC000186103579 407577526 /nfs/dbraw/zinc/57/75/26/407577526.db2.gz YVDMFZBBAABFCS-PWSUYJOCSA-N 0 3 320.368 1.935 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+][C@H](C)CCN2CCN(C)CC2)c1 ZINC000185875188 407527692 /nfs/dbraw/zinc/52/76/92/407527692.db2.gz RGHZVJTVTWTUJU-OAHLLOKOSA-N 0 3 321.465 1.907 20 10 DDCDHN COC(=O)C[C@@H]1CSCCN1Cc1cc(OC)ccc1O ZINC000271898938 407735671 /nfs/dbraw/zinc/73/56/71/407735671.db2.gz YWADQYLMCHSGAY-GFCCVEGCSA-N 0 3 311.403 1.881 20 10 DDCDHN CSC[C@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000187712355 407885176 /nfs/dbraw/zinc/88/51/76/407885176.db2.gz VKDHHEFOXLDVFA-MRXNPFEDSA-N 0 3 310.463 1.679 20 10 DDCDHN CCCN(Cc1ccccc1O)C(=O)CNC[C@H]1CCCO1 ZINC000154143364 407981152 /nfs/dbraw/zinc/98/11/52/407981152.db2.gz XYKXXULQOXCMJP-OAHLLOKOSA-N 0 3 306.406 1.899 20 10 DDCDHN C[C@@H](NC1CC1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000294892224 409304926 /nfs/dbraw/zinc/30/49/26/409304926.db2.gz YLIXYZLTPGZCOZ-CQSZACIVSA-N 0 3 317.433 1.622 20 10 DDCDHN CN1CCN(C2CC[NH+](Cc3ccccc3[O-])CC2)C(=O)C1 ZINC000374756266 418560767 /nfs/dbraw/zinc/56/07/67/418560767.db2.gz YIEFUWMCIYXWOD-UHFFFAOYSA-N 0 3 303.406 1.131 20 10 DDCDHN CNC(=O)C(C)(C)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000230935320 222206986 /nfs/dbraw/zinc/20/69/86/222206986.db2.gz WGCUXFZCJFFOJD-UHFFFAOYSA-N 0 3 300.786 1.916 20 10 DDCDHN C[C@H](CO)N1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000375485976 418647235 /nfs/dbraw/zinc/64/72/35/418647235.db2.gz RQFJMHBDPZHGGM-DIECRNLCSA-N 0 3 320.389 1.026 20 10 DDCDHN CNC(=O)CN1CCCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000378346709 418721097 /nfs/dbraw/zinc/72/10/97/418721097.db2.gz AVPHBXGKZRWQEE-UHFFFAOYSA-N 0 3 305.422 1.263 20 10 DDCDHN CNCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000370777721 418748407 /nfs/dbraw/zinc/74/84/07/418748407.db2.gz AUGDGYRABCAOHU-UHFFFAOYSA-N 0 3 313.348 1.592 20 10 DDCDHN CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000529640085 421548480 /nfs/dbraw/zinc/54/84/80/421548480.db2.gz BHMJFWDHNLTRTK-QGZVFWFLSA-N 0 3 324.396 1.237 20 10 DDCDHN CN(C)C(=O)CN1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000297493276 276752029 /nfs/dbraw/zinc/75/20/29/276752029.db2.gz BMTBPKPFFAKFML-OAHLLOKOSA-N 0 3 317.433 1.522 20 10 DDCDHN C[C@H](CNC(=O)NCc1ccc2c(c1)CCN2C)N(C)C1CC1 ZINC000363769004 332244751 /nfs/dbraw/zinc/24/47/51/332244751.db2.gz PGMYABHCIJVABE-CYBMUJFWSA-N 0 3 316.449 1.961 20 10 DDCDHN CN(C)C/C=C/C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000265652658 524034384 /nfs/dbraw/zinc/03/43/84/524034384.db2.gz OSCKCFKNXUWROX-ONEGZZNKSA-N 0 3 321.396 1.396 20 10 DDCDHN C[C@H](CC(N)=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000267232241 524085120 /nfs/dbraw/zinc/08/51/20/524085120.db2.gz LFPBLBQZLWCMMJ-CYBMUJFWSA-N 0 3 305.422 1.249 20 10 DDCDHN Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccccc3[O-])C2=O)n(C)n1 ZINC000179888454 525090878 /nfs/dbraw/zinc/09/08/78/525090878.db2.gz WIKYWPZPKRSKQT-GXTWGEPZSA-N 0 3 314.389 1.890 20 10 DDCDHN CC[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccccc1[O-] ZINC000274931880 535803713 /nfs/dbraw/zinc/80/37/13/535803713.db2.gz RBGRMQYXEJXTRI-HUUCEWRRSA-N 0 3 305.422 1.773 20 10 DDCDHN COc1ccc(O)c(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737105472 598920872 /nfs/dbraw/zinc/92/08/72/598920872.db2.gz HNINRKXNHPCTHV-UHFFFAOYSA-N 0 3 311.345 1.871 20 10 DDCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCO[C@H](C)C2)c1 ZINC000182442339 697474917 /nfs/dbraw/zinc/47/49/17/697474917.db2.gz WZMHAMAPLKMPRE-VXGBXAGGSA-N 0 3 308.378 1.299 20 10 DDCDHN C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)c2c1c(F)ccc2[O-] ZINC000779049329 698392385 /nfs/dbraw/zinc/39/23/85/698392385.db2.gz GQMWHCPALAGXFO-WCBMZHEXSA-N 0 3 307.325 1.221 20 10 DDCDHN COc1cnccc1N1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000796221493 699920247 /nfs/dbraw/zinc/92/02/47/699920247.db2.gz DBGSCPVHYZTVRE-UHFFFAOYSA-N 0 3 319.386 1.820 20 10 DDCDHN C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cc(F)ccc1[O-] ZINC000756606115 700631069 /nfs/dbraw/zinc/63/10/69/700631069.db2.gz LDSBIFKUPXVDMP-SNVBAGLBSA-N 0 3 317.382 1.122 20 10 DDCDHN CCN(CC(=O)NCc1ccc(N(C)C)cc1)C[C@@H]1CCOC1 ZINC000764198171 700963441 /nfs/dbraw/zinc/96/34/41/700963441.db2.gz RVOIJVNUPDXDLD-INIZCTEOSA-N 0 3 319.449 1.727 20 10 DDCDHN CCOc1ccc(CNCCS(=O)(=O)C(C)C)c(O)c1 ZINC000809790842 701689720 /nfs/dbraw/zinc/68/97/20/701689720.db2.gz NVPWWENTWGTPAT-UHFFFAOYSA-N 0 3 301.408 1.704 20 10 DDCDHN CCOc1ccc(C[NH2+]CCS(=O)(=O)C(C)C)c([O-])c1 ZINC000809790842 701689721 /nfs/dbraw/zinc/68/97/21/701689721.db2.gz NVPWWENTWGTPAT-UHFFFAOYSA-N 0 3 301.408 1.704 20 10 DDCDHN C[C@H]1C[C@@H]([NH2+]CCCn2cc(CO)nn2)c2c1c(F)ccc2[O-] ZINC000810243857 701746258 /nfs/dbraw/zinc/74/62/58/701746258.db2.gz LHRBPXPZSQIPPS-GXFFZTMASA-N 0 3 320.368 1.843 20 10 DDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](n3cccn3)C1)[C@@H](O)CO2 ZINC000812296378 702140855 /nfs/dbraw/zinc/14/08/55/702140855.db2.gz NJNZNNACIPBZCC-WFASDCNBSA-N 0 3 301.346 1.462 20 10 DDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](n3cccn3)C1)[C@@H](O)CO2 ZINC000812296378 702140858 /nfs/dbraw/zinc/14/08/58/702140858.db2.gz NJNZNNACIPBZCC-WFASDCNBSA-N 0 3 301.346 1.462 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN1CCN(CCCCO)CC1 ZINC000840917243 702278726 /nfs/dbraw/zinc/27/87/26/702278726.db2.gz IJCYNYGVQRKMAT-UHFFFAOYSA-N 0 3 305.466 1.951 20 10 DDCDHN CCOC(=O)[C@H]1NCC[C@@H]1NCc1ccc(N(CC)CC)cc1 ZINC000817887762 702509158 /nfs/dbraw/zinc/50/91/58/702509158.db2.gz DNJXDFURDMMLHW-IRXDYDNUSA-N 0 3 319.449 1.916 20 10 DDCDHN C[C@H]1NCCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@H]1C ZINC000841758406 702557698 /nfs/dbraw/zinc/55/76/98/702557698.db2.gz HBQMJPFTMPATPZ-KGLIPLIRSA-N 0 3 316.449 1.961 20 10 DDCDHN CCN(C)c1ccc(CN2CCN(CCN(C)C)C(=O)C2)cc1 ZINC000844382277 703023459 /nfs/dbraw/zinc/02/34/59/703023459.db2.gz VUOPQHNOFMSZGG-UHFFFAOYSA-N 0 3 318.465 1.349 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2C[C@@H](O)C2(C)C)cc1 ZINC000846957900 703357340 /nfs/dbraw/zinc/35/73/40/703357340.db2.gz OOKSHMCMNSKNHY-HUUCEWRRSA-N 0 3 305.422 1.118 20 10 DDCDHN COc1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c([O-])c1 ZINC000848908570 703602152 /nfs/dbraw/zinc/60/21/52/703602152.db2.gz XMGOJUUTUVMLLU-OAHLLOKOSA-N 0 3 306.406 1.744 20 10 DDCDHN Cc1n[nH]cc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406060 703729772 /nfs/dbraw/zinc/72/97/72/703729772.db2.gz PTKHGUCBUMLRNT-UHFFFAOYSA-N 0 3 300.406 1.969 20 10 DDCDHN [O-]c1ccc2ccncc2c1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000853552465 704266613 /nfs/dbraw/zinc/26/66/13/704266613.db2.gz GLPKZLZGRHAERS-OAHLLOKOSA-N 0 3 313.401 1.847 20 10 DDCDHN CCc1noc(C[C@]2(O)CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC000856594438 704533304 /nfs/dbraw/zinc/53/33/04/704533304.db2.gz ZNXPSAVTCBNCIG-QGZVFWFLSA-N 0 3 317.389 1.907 20 10 DDCDHN CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC000856594438 704533305 /nfs/dbraw/zinc/53/33/05/704533305.db2.gz ZNXPSAVTCBNCIG-QGZVFWFLSA-N 0 3 317.389 1.907 20 10 DDCDHN CN1CCN(c2ccc(CN3CCc4n[nH]cc4C3)cc2)CC1 ZINC000857877221 704636229 /nfs/dbraw/zinc/63/62/29/704636229.db2.gz WYXJOMUWOZDEBZ-UHFFFAOYSA-N 0 3 311.433 1.720 20 10 DDCDHN CN(C)c1cc(F)c(CNC[C@@H](O)COCC2CC2)cc1F ZINC000858117427 704667410 /nfs/dbraw/zinc/66/74/10/704667410.db2.gz NDRTTZHWMLCNQI-CYBMUJFWSA-N 0 3 314.376 1.908 20 10 DDCDHN C[C@@H]1COCCN1CCNCc1cc(F)c(N(C)C)cc1F ZINC000858125841 704668689 /nfs/dbraw/zinc/66/86/89/704668689.db2.gz MUNNSBXCOJGHNE-GFCCVEGCSA-N 0 3 313.392 1.841 20 10 DDCDHN COCC(C)(C)N1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000822497775 704960863 /nfs/dbraw/zinc/96/08/63/704960863.db2.gz LKYXNVSPUQTIJM-UHFFFAOYSA-N 0 3 308.422 1.943 20 10 DDCDHN CC[C@@H](CNS(C)(=O)=O)NCc1ccc(N(C)C)c(F)c1 ZINC000824677912 705504064 /nfs/dbraw/zinc/50/40/64/705504064.db2.gz LABVTLIAHYQXRQ-LBPRGKRZSA-N 0 3 317.430 1.309 20 10 DDCDHN CCCNC(=O)CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000876885770 705908428 /nfs/dbraw/zinc/90/84/28/705908428.db2.gz ZVTLKSOPCCKAIQ-UHFFFAOYSA-N 0 3 305.422 1.264 20 10 DDCDHN COc1cccc(O)c1CN1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000827545106 706023282 /nfs/dbraw/zinc/02/32/82/706023282.db2.gz SYCUEVKEVQAKSE-LBPRGKRZSA-N 0 3 307.394 1.589 20 10 DDCDHN COc1ccc(CN[C@H]2COC[C@H]2OC)cc1Cn1cccn1 ZINC000873131542 707743412 /nfs/dbraw/zinc/74/34/12/707743412.db2.gz VMUBEDIODYACSR-DOTOQJQBSA-N 0 3 317.389 1.443 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1[O-] ZINC000896857804 708166315 /nfs/dbraw/zinc/16/63/15/708166315.db2.gz RYPUVVKWKCYSSK-QKCSRTOESA-N 0 3 313.781 1.948 20 10 DDCDHN COc1cccc([O-])c1C[NH2+]C[C@]1(c2cnn(C)c2)CCCO1 ZINC000898057709 708531237 /nfs/dbraw/zinc/53/12/37/708531237.db2.gz IAYREELVZILJNW-KRWDZBQOSA-N 0 3 317.389 1.930 20 10 DDCDHN C[C@@H](CO)N(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899103397 708984469 /nfs/dbraw/zinc/98/44/69/708984469.db2.gz LMLUKHUOMTZESJ-BBRMVZONSA-N 0 3 322.453 1.378 20 10 DDCDHN CC[C@@H](CO)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245436 710139952 /nfs/dbraw/zinc/13/99/52/710139952.db2.gz FCLHBGAVJJNEJJ-BBRMVZONSA-N 0 3 307.438 1.490 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)[C@](C)(O)C2CC2)N(C)C)cc1 ZINC000891249256 710141300 /nfs/dbraw/zinc/14/13/00/710141300.db2.gz PWWCIKCGRQFTDA-SJLPKXTDSA-N 0 3 319.449 1.633 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)[C@H](O)C2CC2)N(C)C)cc1 ZINC000891249705 710141781 /nfs/dbraw/zinc/14/17/81/710141781.db2.gz SEHYZIDRSLWGNH-JKSUJKDBSA-N 0 3 305.422 1.242 20 10 DDCDHN COc1ccc(CN[C@H](C)[C@H](O)C(F)(F)F)c(O)c1OC ZINC000895759495 711598207 /nfs/dbraw/zinc/59/82/07/711598207.db2.gz HNWAQGXLOQWHKX-KRTXAFLBSA-N 0 3 309.284 1.811 20 10 DDCDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCN2C)c1[O-] ZINC000922575140 714092331 /nfs/dbraw/zinc/09/23/31/714092331.db2.gz CWTSMOQHNPJPLV-LLVKDONJSA-N 0 3 315.211 1.957 20 10 DDCDHN CCN(CC)c1ccc(CN2C(=O)N[C@H](CN(C)C)C2=O)cc1 ZINC000924487483 714593499 /nfs/dbraw/zinc/59/34/99/714593499.db2.gz KSUFJGWRUKRFCQ-OAHLLOKOSA-N 0 3 318.421 1.515 20 10 DDCDHN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924715303 714647882 /nfs/dbraw/zinc/64/78/82/714647882.db2.gz FOYOYZLVJHZFMN-FZMZJTMJSA-N 0 3 304.394 1.296 20 10 DDCDHN COc1ccc(C[NH+]2CCC(N3CCOCC3)CC2)c([O-])c1 ZINC001203621319 744262623 /nfs/dbraw/zinc/26/26/23/744262623.db2.gz SZZJCAFSUXRPRD-UHFFFAOYSA-N 0 3 306.406 1.697 20 10 DDCDHN CCN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](O)C1 ZINC001090839478 772255421 /nfs/dbraw/zinc/25/54/21/772255421.db2.gz MTZKABXFAHQRTH-STQMWFEESA-N 0 3 319.365 1.034 20 10 DDCDHN Oc1cc(O)c(CN2CCN(Cc3ccncc3)CC2)c(O)c1 ZINC001144508990 772557260 /nfs/dbraw/zinc/55/72/60/772557260.db2.gz GNMUEPRXMIJHPN-UHFFFAOYSA-N 0 3 315.373 1.516 20 10 DDCDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc(OCC)cc1O ZINC001326503425 861411273 /nfs/dbraw/zinc/41/12/73/861411273.db2.gz SJHVLTCRXXLUCN-AWEZNQCLSA-N 0 3 308.378 1.128 20 10 DDCDHN CC[C@H](C)N1C[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272619199 846417461 /nfs/dbraw/zinc/41/74/61/846417461.db2.gz SFNNZUDUXDBRBJ-KSSFIOAISA-N 0 3 318.417 1.994 20 10 DDCDHN CC[C@H](C)N1C[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)OCC1=O ZINC001272619199 846417464 /nfs/dbraw/zinc/41/74/64/846417464.db2.gz SFNNZUDUXDBRBJ-KSSFIOAISA-N 0 3 318.417 1.994 20 10 DDCDHN C[NH+](C)CCN1CCC12CN(Cc1c([O-])cccc1Cl)C2 ZINC001275216769 852901818 /nfs/dbraw/zinc/90/18/18/852901818.db2.gz CKOCFKOITVVMPA-UHFFFAOYSA-N 0 3 309.841 1.867 20 10 DDCDHN Oc1ccc(F)cc1CN1CC2(CN(CCn3ccnc3)C2)C1 ZINC001275913135 853935733 /nfs/dbraw/zinc/93/57/33/853935733.db2.gz IWRRRURIFMGVSL-UHFFFAOYSA-N 0 3 316.380 1.546 20 10 DDCDHN [NH3+][C@@H]1CCCn2nc(C(=O)NCc3c([O-])cccc3F)cc21 ZINC001122174690 858702453 /nfs/dbraw/zinc/70/24/53/858702453.db2.gz YZRNBQHXSSHKFP-LLVKDONJSA-N 0 3 304.325 1.451 20 10 DDCDHN C[C@]1(CO)CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1O ZINC001138495320 860119693 /nfs/dbraw/zinc/11/96/93/860119693.db2.gz HFQSOFXIUCTQQU-ZWKOTPCHSA-N 0 3 320.433 1.088 20 10 DDCDHN COc1cc(CN2CCC(=O)[C@H](F)CC2)cc(CN(C)C)c1O ZINC001139255197 860339552 /nfs/dbraw/zinc/33/95/52/860339552.db2.gz NWANFPYMZLEUHI-CQSZACIVSA-N 0 3 324.396 1.965 20 10 DDCDHN CCN1CCN(c2ccc(CN3CCC(=O)[C@H](F)C3)cc2)CC1 ZINC001140305821 860616491 /nfs/dbraw/zinc/61/64/91/860616491.db2.gz HOEAUYVRWNDWKP-QGZVFWFLSA-N 0 3 319.424 1.941 20 10 DDCDHN Cc1nccnc1O[C@@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141162923 860799457 /nfs/dbraw/zinc/79/94/57/860799457.db2.gz KZXUIEZHMHZNJD-CQSZACIVSA-N 0 3 301.346 1.850 20 10 DDCDHN CN1CCN(c2ccc(CNc3ncc4c(n3)CNC4)cc2)CC1 ZINC001156656481 863233701 /nfs/dbraw/zinc/23/37/01/863233701.db2.gz VZFNYENDKRJJLJ-UHFFFAOYSA-N 0 3 324.432 1.444 20 10 DDCDHN CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC001203551331 870635541 /nfs/dbraw/zinc/63/55/41/870635541.db2.gz CPWQLAKZAQADCT-BFYDXBDKSA-N 0 3 318.417 1.707 20 10 DDCDHN CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC001203551331 870635549 /nfs/dbraw/zinc/63/55/49/870635549.db2.gz CPWQLAKZAQADCT-BFYDXBDKSA-N 0 3 318.417 1.707 20 10 DDCDHN Cn1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4[O-])C[C@@H]3C2=O)cn1 ZINC001203555545 870639587 /nfs/dbraw/zinc/63/95/87/870639587.db2.gz CPYHETAWSXBHRB-ZFWWWQNUSA-N 0 3 312.373 1.221 20 10 DDCDHN Cn1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4[O-])C[C@@H]3C2=O)cn1 ZINC001203555545 870639590 /nfs/dbraw/zinc/63/95/90/870639590.db2.gz CPYHETAWSXBHRB-ZFWWWQNUSA-N 0 3 312.373 1.221 20 10 DDCDHN COc1ccc(CN2CCCC[C@](O)(C[NH3+])C2)c([O-])c1Cl ZINC001205726568 871751877 /nfs/dbraw/zinc/75/18/77/871751877.db2.gz VAURWQFDFFDDDT-HNNXBMFYSA-N 0 3 314.813 1.730 20 10 DDCDHN CN(C)C(=O)[C@@H]1COCCC12C[NH+](Cc1ccccc1[O-])C2 ZINC001277442190 884299932 /nfs/dbraw/zinc/29/99/32/884299932.db2.gz SOVIWVOEYYBPMR-AWEZNQCLSA-N 0 3 304.390 1.319 20 10 DDCDHN COCCN(C)C(=O)[C@@H]1CC12CN(Cc1ccccc1O)C2 ZINC001277446082 884339226 /nfs/dbraw/zinc/33/92/26/884339226.db2.gz MCHRDBQKDJPERS-AWEZNQCLSA-N 0 3 304.390 1.319 20 10 DDCDHN Cc1cccc(CN2CCN(c3ncc(O)cn3)CC2)c1O ZINC001231594763 885756328 /nfs/dbraw/zinc/75/63/28/885756328.db2.gz OUJRYNJCGYUXNT-UHFFFAOYSA-N 0 3 300.362 1.518 20 10 DDCDHN CNC(=O)NC1CC[NH+](Cc2c(C)cc(OC)cc2[O-])CC1 ZINC001236815437 889368448 /nfs/dbraw/zinc/36/84/48/889368448.db2.gz LNYRCJBXKUUPMA-UHFFFAOYSA-N 0 3 307.394 1.603 20 10 DDCDHN CC/C=C(/C)C(=O)NC[C@@H](CO)NCc1ccc(OC)c(C)c1 ZINC001278054738 889506484 /nfs/dbraw/zinc/50/64/84/889506484.db2.gz VVZKDHDYSBNKPJ-DZNGUJDPSA-N 0 3 320.433 1.927 20 10 DDCDHN O=C(NCC1COC1)C12CC([NH2+]Cc3cc(F)ccc3[O-])(C1)C2 ZINC001278254830 890284756 /nfs/dbraw/zinc/28/47/56/890284756.db2.gz JJNFCAYKSYKVQE-UHFFFAOYSA-N 0 3 320.364 1.306 20 10 DDCDHN CCC[C@@H](O)CN1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001252790120 895461084 /nfs/dbraw/zinc/46/10/84/895461084.db2.gz UTLMGQXIPSNYEG-QGZVFWFLSA-N 0 3 322.449 1.995 20 10 DDCDHN COCCOc1ccc(N2CCN([C@@H](C)COC)CC2)cc1 ZINC001255583406 897031737 /nfs/dbraw/zinc/03/17/37/897031737.db2.gz NMSJPHMZHJRNNU-HNNXBMFYSA-N 0 3 308.422 1.869 20 10 DDCDHN CNC(=O)CC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000074723591 185013478 /nfs/dbraw/zinc/01/34/78/185013478.db2.gz RUKTWUJWZCWHJN-UHFFFAOYSA-N 0 3 306.362 1.469 20 10 DDCDHN CN(C)c1ccc(CNC(=O)NCC2(O)CCN(C)CC2)cc1 ZINC000265769052 407445259 /nfs/dbraw/zinc/44/52/59/407445259.db2.gz JCXHQVPGSJOMDO-UHFFFAOYSA-N 0 3 320.437 1.009 20 10 DDCDHN CCO[C@@H]1C[C@@](N)(C(=O)N(C)Cc2ccccc2O)C1(C)C ZINC000186723841 407756890 /nfs/dbraw/zinc/75/68/90/407756890.db2.gz OJEQVXQGTOIFTG-RHSMWYFYSA-N 0 3 306.406 1.883 20 10 DDCDHN CC[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(C)C ZINC000268709376 408170330 /nfs/dbraw/zinc/17/03/30/408170330.db2.gz CNUGHTPMEXTMRA-MRXNPFEDSA-N 0 3 305.422 1.480 20 10 DDCDHN CC(C)N(CCN1CCNC1=O)Cc1ccc(N(C)C)cc1 ZINC000289852349 409288214 /nfs/dbraw/zinc/28/82/14/409288214.db2.gz BFQNPAKXLWUTGG-UHFFFAOYSA-N 0 3 304.438 1.988 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000294971969 409307205 /nfs/dbraw/zinc/30/72/05/409307205.db2.gz FTUGYZNABDRLDX-YPMHNXCESA-N 0 3 300.424 1.761 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)cc1OC ZINC000366924639 418539158 /nfs/dbraw/zinc/53/91/58/418539158.db2.gz IUQLJFNHHISRPT-YVEFUNNKSA-N 0 3 320.389 1.556 20 10 DDCDHN C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1cc(F)ccc1[O-] ZINC000368318584 418718893 /nfs/dbraw/zinc/71/88/93/418718893.db2.gz NBZWGKDCIKIXRU-GWCFXTLKSA-N 0 3 318.352 1.721 20 10 DDCDHN CNC(=O)CN1CCCN(Cc2cc(Cl)ccc2O)CC1 ZINC000378353348 418720968 /nfs/dbraw/zinc/72/09/68/418720968.db2.gz XHACUAKNASVUBH-UHFFFAOYSA-N 0 3 311.813 1.299 20 10 DDCDHN C[C@@H]1C[C@H]1N1C[C@H](NCc2ccc(N(C)C)c(F)c2)CC1=O ZINC000363414547 418765691 /nfs/dbraw/zinc/76/56/91/418765691.db2.gz OMIBMUWKKGXBBZ-AXAPSJFSSA-N 0 3 305.397 1.991 20 10 DDCDHN COc1ccc(O)c(CN2CCCN(c3ncccn3)CC2)c1 ZINC000378436281 418722481 /nfs/dbraw/zinc/72/24/81/418722481.db2.gz BXEURVPCOBFVJG-UHFFFAOYSA-N 0 3 314.389 1.903 20 10 DDCDHN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000369048698 418727799 /nfs/dbraw/zinc/72/77/99/418727799.db2.gz WVQSPMGJMDEIAE-HUUCEWRRSA-N 0 3 319.405 1.397 20 10 DDCDHN COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)nn1 ZINC000372039557 418833061 /nfs/dbraw/zinc/83/30/61/418833061.db2.gz UCRLTJBKLOJSHO-CYBMUJFWSA-N 0 3 316.361 1.607 20 10 DDCDHN COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)nn1 ZINC000372039557 418833063 /nfs/dbraw/zinc/83/30/63/418833063.db2.gz UCRLTJBKLOJSHO-CYBMUJFWSA-N 0 3 316.361 1.607 20 10 DDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2)c1 ZINC000371716051 418811847 /nfs/dbraw/zinc/81/18/47/418811847.db2.gz USDYEYZQHOONSF-CQSZACIVSA-N 0 3 316.405 1.893 20 10 DDCDHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(OC)ccc1O ZINC000372280637 418850932 /nfs/dbraw/zinc/85/09/32/418850932.db2.gz FMOLOLLQUKKFKH-ZFWWWQNUSA-N 0 3 323.389 1.943 20 10 DDCDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(OC)ccc1[O-] ZINC000372280637 418850935 /nfs/dbraw/zinc/85/09/35/418850935.db2.gz FMOLOLLQUKKFKH-ZFWWWQNUSA-N 0 3 323.389 1.943 20 10 DDCDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(OC)ccc1[O-] ZINC000372280637 418850936 /nfs/dbraw/zinc/85/09/36/418850936.db2.gz FMOLOLLQUKKFKH-ZFWWWQNUSA-N 0 3 323.389 1.943 20 10 DDCDHN CN(C)c1ccc(CNC[C@H]2CCCS(=O)(=O)C2)cc1F ZINC000290106208 276883398 /nfs/dbraw/zinc/88/33/98/276883398.db2.gz KSKULLJEPWMODT-CYBMUJFWSA-N 0 3 314.426 1.806 20 10 DDCDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184701951 277239850 /nfs/dbraw/zinc/23/98/50/277239850.db2.gz PXAWSMLLJOEXTN-VIFPVBQESA-N 0 3 300.786 1.868 20 10 DDCDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184701951 277239853 /nfs/dbraw/zinc/23/98/53/277239853.db2.gz PXAWSMLLJOEXTN-VIFPVBQESA-N 0 3 300.786 1.868 20 10 DDCDHN CCOc1cccc(CN2CC[C@@H](N3CCOCC3)C2)c1O ZINC000156015608 521343858 /nfs/dbraw/zinc/34/38/58/521343858.db2.gz PXXODDPQYPSQFW-OAHLLOKOSA-N 0 3 306.406 1.697 20 10 DDCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1[O-] ZINC000156015608 521343861 /nfs/dbraw/zinc/34/38/61/521343861.db2.gz PXXODDPQYPSQFW-OAHLLOKOSA-N 0 3 306.406 1.697 20 10 DDCDHN CCOc1cccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1[O-] ZINC000156015608 521343868 /nfs/dbraw/zinc/34/38/68/521343868.db2.gz PXXODDPQYPSQFW-OAHLLOKOSA-N 0 3 306.406 1.697 20 10 DDCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000180273541 523181152 /nfs/dbraw/zinc/18/11/52/523181152.db2.gz VCHZVUGQOYCLDM-UHFFFAOYSA-N 0 3 316.398 1.387 20 10 DDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000180273541 523181161 /nfs/dbraw/zinc/18/11/61/523181161.db2.gz VCHZVUGQOYCLDM-UHFFFAOYSA-N 0 3 316.398 1.387 20 10 DDCDHN COCCCNC(=O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179967885 523313315 /nfs/dbraw/zinc/31/33/15/523313315.db2.gz FXXOAPILQCDSDR-UHFFFAOYSA-N 0 3 324.396 1.896 20 10 DDCDHN Nc1ccc(CC(=O)N2CCCN(C3CCOCC3)CC2)cc1 ZINC000364223046 527474466 /nfs/dbraw/zinc/47/44/66/527474466.db2.gz VDUJZYZGEHOVFO-UHFFFAOYSA-N 0 3 317.433 1.525 20 10 DDCDHN CCS(=O)(=O)NC1CCN(Cc2cc(C)ccc2O)CC1 ZINC000289482746 535667741 /nfs/dbraw/zinc/66/77/41/535667741.db2.gz QQZXZCFEPJGRNJ-UHFFFAOYSA-N 0 3 312.435 1.604 20 10 DDCDHN CN(C)CCn1nccc1NC(=O)NCc1ccccc1O ZINC000297559071 535938271 /nfs/dbraw/zinc/93/82/71/535938271.db2.gz XLYCCMABOXCFHH-UHFFFAOYSA-N 0 3 303.366 1.472 20 10 DDCDHN CS(=O)(=O)N[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000116869179 696668836 /nfs/dbraw/zinc/66/88/36/696668836.db2.gz DEYWPPPAYZEEOZ-AWEZNQCLSA-N 0 3 310.419 1.004 20 10 DDCDHN CN(C)CCN(C)C(=O)NCCCSc1nccs1 ZINC000154658617 696935626 /nfs/dbraw/zinc/93/56/26/696935626.db2.gz LZYAKZNGIRLPPI-UHFFFAOYSA-N 0 3 302.469 1.828 20 10 DDCDHN CCOc1ccc(O)c(CNCC(=O)NCc2ccco2)c1 ZINC000237034097 697803037 /nfs/dbraw/zinc/80/30/37/697803037.db2.gz VNVOUVHJOICXRN-UHFFFAOYSA-N 0 3 304.346 1.790 20 10 DDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H]1C ZINC000787244269 699199649 /nfs/dbraw/zinc/19/96/49/699199649.db2.gz YDBMXYJCHZOYQZ-UDZFHETQSA-N 0 3 307.346 1.201 20 10 DDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H]1C ZINC000787244269 699199651 /nfs/dbraw/zinc/19/96/51/699199651.db2.gz YDBMXYJCHZOYQZ-UDZFHETQSA-N 0 3 307.346 1.201 20 10 DDCDHN CN(C)Cc1ccc(S(=O)(=O)NCc2ccccc2O)cc1 ZINC000788625614 699328541 /nfs/dbraw/zinc/32/85/41/699328541.db2.gz LHTIOVONDZVNEC-UHFFFAOYSA-N 0 3 320.414 1.932 20 10 DDCDHN COc1ccc(O)c(CNC(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000734277931 699645561 /nfs/dbraw/zinc/64/55/61/699645561.db2.gz MSMUBQMRPHKKHB-LBPRGKRZSA-N 0 3 305.378 1.437 20 10 DDCDHN C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)c2c1c(F)ccc2[O-] ZINC000757640374 700667195 /nfs/dbraw/zinc/66/71/95/700667195.db2.gz YJRFAIZKSBUHCN-SKDRFNHKSA-N 0 3 318.352 1.822 20 10 DDCDHN COCCNC(=O)C1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000768238593 701165255 /nfs/dbraw/zinc/16/52/55/701165255.db2.gz QVKZSOFCRAJZRK-UHFFFAOYSA-N 0 3 322.405 1.375 20 10 DDCDHN Cn1ccnc1[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464866 701180252 /nfs/dbraw/zinc/18/02/52/701180252.db2.gz FEKCJEWHHXIPCN-NHYWBVRUSA-N 0 3 315.373 1.541 20 10 DDCDHN Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464866 701180254 /nfs/dbraw/zinc/18/02/54/701180254.db2.gz FEKCJEWHHXIPCN-NHYWBVRUSA-N 0 3 315.373 1.541 20 10 DDCDHN C[C@@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1O ZINC000868217713 702005218 /nfs/dbraw/zinc/00/52/18/702005218.db2.gz VDMMSFDLRKPYBZ-MCIONIFRSA-N 0 3 319.405 1.616 20 10 DDCDHN O=C1OC[C@]2(C[NH2+][C@@H]3CCc4cccc([O-])c43)COCCN12 ZINC000866521302 706720427 /nfs/dbraw/zinc/72/04/27/706720427.db2.gz LLMLDDAUSYCDBM-WBMJQRKESA-N 0 3 304.346 1.190 20 10 DDCDHN COCCOCCN1CCN(Cc2cccc(C)c2O)CC1 ZINC000846118158 703239829 /nfs/dbraw/zinc/23/98/29/703239829.db2.gz USYUQWUEGZCZDX-UHFFFAOYSA-N 0 3 308.422 1.481 20 10 DDCDHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1cccc(OC)c1O ZINC000846151073 703243275 /nfs/dbraw/zinc/24/32/75/703243275.db2.gz UUJHCKAYULVMRZ-MNOVXSKESA-N 0 3 301.408 1.875 20 10 DDCDHN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851657096 703823742 /nfs/dbraw/zinc/82/37/42/703823742.db2.gz VTISFXUXNXLMFU-HUUCEWRRSA-N 0 3 308.401 1.642 20 10 DDCDHN COc1ccc(N2CCN(CC[C@@H]3CCNC3=O)CC2)cc1 ZINC000821385373 704401246 /nfs/dbraw/zinc/40/12/46/704401246.db2.gz BZAGSCIGLMMSCD-AWEZNQCLSA-N 0 3 303.406 1.343 20 10 DDCDHN OCC1(O)CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000827146362 705939999 /nfs/dbraw/zinc/93/99/99/705939999.db2.gz FQIWZPBMRANGBZ-UHFFFAOYSA-N 0 3 304.434 1.996 20 10 DDCDHN COC(=O)[C@]12C[N@H+](Cc3c(C)cccc3[O-])C[C@H]1COCC2 ZINC000877492535 706122268 /nfs/dbraw/zinc/12/22/68/706122268.db2.gz YXISAWQVKPEYKW-SUMWQHHRSA-N 0 3 305.374 1.712 20 10 DDCDHN COC(=O)[C@]12C[N@@H+](Cc3c(C)cccc3[O-])C[C@H]1COCC2 ZINC000877492535 706122271 /nfs/dbraw/zinc/12/22/71/706122271.db2.gz YXISAWQVKPEYKW-SUMWQHHRSA-N 0 3 305.374 1.712 20 10 DDCDHN COc1cccc(CNC[C@@H](n2cncn2)C(F)(F)F)c1O ZINC000865682843 706495820 /nfs/dbraw/zinc/49/58/20/706495820.db2.gz LZOIOTWNSKPJSB-LLVKDONJSA-N 0 3 316.283 1.886 20 10 DDCDHN CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834798487 707122022 /nfs/dbraw/zinc/12/20/22/707122022.db2.gz HCDVJDLOJLKZME-KGLIPLIRSA-N 0 3 324.446 1.783 20 10 DDCDHN CC[C@H](N)c1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000881094934 707124110 /nfs/dbraw/zinc/12/41/10/707124110.db2.gz YDDWGVFGEBNOCB-AWEZNQCLSA-N 0 3 316.409 1.070 20 10 DDCDHN CN(C)C(=O)NCCN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835042992 707161633 /nfs/dbraw/zinc/16/16/33/707161633.db2.gz NVRWJPFPIPGKOT-VOTSOKGWSA-N 0 3 304.438 1.969 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)NCCCO)N(C)C)cc1 ZINC000899100623 708982924 /nfs/dbraw/zinc/98/29/24/708982924.db2.gz BENWMXYQCHDRLH-OAHLLOKOSA-N 0 3 308.426 1.037 20 10 DDCDHN CO[C@@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCS(=O)(=O)C1 ZINC000903363595 711104495 /nfs/dbraw/zinc/10/44/95/711104495.db2.gz PEUKLNGPEQHZNU-SWLSCSKDSA-N 0 3 311.403 1.173 20 10 DDCDHN COc1ccc(CN(C)[C@@H](CO)COC(C)C)c(O)c1OC ZINC000894499721 711150578 /nfs/dbraw/zinc/15/05/78/711150578.db2.gz GYZQOYCGBIOJTB-ZDUSSCGKSA-N 0 3 313.394 1.627 20 10 DDCDHN C[C@H](NCC=Cc1ccc(N(C)C)cc1)c1n[nH]c(=O)n1C ZINC000895172820 711441847 /nfs/dbraw/zinc/44/18/47/711441847.db2.gz SGJXZXBDSOJNCG-FYJFLYSWSA-N 0 3 301.394 1.951 20 10 DDCDHN [O-]c1ccccc1C[N@H+](C[C@H](O)C1(O)CCC1)C[C@@H]1CCCO1 ZINC000929971579 713725175 /nfs/dbraw/zinc/72/51/75/713725175.db2.gz PIINYIKGVXXHNL-RDJZCZTQSA-N 0 3 321.417 1.649 20 10 DDCDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)C1(O)CCC1)C[C@@H]1CCCO1 ZINC000929971579 713725176 /nfs/dbraw/zinc/72/51/76/713725176.db2.gz PIINYIKGVXXHNL-RDJZCZTQSA-N 0 3 321.417 1.649 20 10 DDCDHN FCCn1cc(CNCc2ccc(N3CCOCC3)cc2)cn1 ZINC000921580530 713812178 /nfs/dbraw/zinc/81/21/78/713812178.db2.gz BDOHUFDIHNBRKP-UHFFFAOYSA-N 0 3 318.396 1.979 20 10 DDCDHN C[C@@H]1COC[C@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000932502306 714348706 /nfs/dbraw/zinc/34/87/06/714348706.db2.gz VERRNGNVUXWXRW-CZUORRHYSA-N 0 3 305.422 1.336 20 10 DDCDHN CC(=O)N[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000153862600 744122120 /nfs/dbraw/zinc/12/21/20/744122120.db2.gz IXKCHYBMUSKCST-KRWDZBQOSA-N 0 3 317.433 1.624 20 10 DDCDHN CCS(=O)(=O)C[C@@H](C)NCc1cc(C)cc(OC)c1O ZINC001119509468 781488666 /nfs/dbraw/zinc/48/86/66/781488666.db2.gz GAQVGZDGJKMOLV-LLVKDONJSA-N 0 3 301.408 1.622 20 10 DDCDHN CC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618049 846414957 /nfs/dbraw/zinc/41/49/57/846414957.db2.gz ALGWFZCSDAOISS-UGSOOPFHSA-N 0 3 316.401 1.794 20 10 DDCDHN CC(=O)[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272618049 846414963 /nfs/dbraw/zinc/41/49/63/846414963.db2.gz ALGWFZCSDAOISS-UGSOOPFHSA-N 0 3 316.401 1.794 20 10 DDCDHN COc1ccc(N2CCC[C@]23CCN(CCN(C)C)C3=O)cc1 ZINC001274791003 852601120 /nfs/dbraw/zinc/60/11/20/852601120.db2.gz NBXCBEXYOYLNKF-GOSISDBHSA-N 0 3 317.433 1.828 20 10 DDCDHN C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1ccc(Cl)cc1[O-] ZINC001275271937 852942295 /nfs/dbraw/zinc/94/22/95/852942295.db2.gz OVHUYMVLTBIDCR-GASCZTMLSA-N 0 3 309.841 1.866 20 10 DDCDHN CNC(=O)NC1CCN(Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138359752 860073047 /nfs/dbraw/zinc/07/30/47/860073047.db2.gz YJKHRURDDISOJD-UHFFFAOYSA-N 0 3 316.449 1.962 20 10 DDCDHN CCN1CCN(c2ccc(CN3CCC(=O)[C@@H](F)C3)cc2)CC1 ZINC001140305820 860616303 /nfs/dbraw/zinc/61/63/03/860616303.db2.gz HOEAUYVRWNDWKP-KRWDZBQOSA-N 0 3 319.424 1.941 20 10 DDCDHN CN(CCN1CCOCC1)Cc1ccc2c(c1)OCCN2C ZINC001141140806 860793811 /nfs/dbraw/zinc/79/38/11/860793811.db2.gz PMXPJDHVSKRNCE-UHFFFAOYSA-N 0 3 305.422 1.279 20 10 DDCDHN CN1CCOc2cc(CN3CCC[C@H](n4ccnn4)C3)ccc21 ZINC001141146457 860794712 /nfs/dbraw/zinc/79/47/12/860794712.db2.gz WBMFCZUDVCKAHE-HNNXBMFYSA-N 0 3 313.405 1.944 20 10 DDCDHN COCCCN1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143838 860795696 /nfs/dbraw/zinc/79/56/96/860795696.db2.gz MDVFKIPGJZXJAG-UHFFFAOYSA-N 0 3 319.449 1.669 20 10 DDCDHN COc1ccc(N2CCN(C)C[C@]3(CCCC(=O)N3)C2)c(C)c1 ZINC001277019039 881677781 /nfs/dbraw/zinc/67/77/81/881677781.db2.gz TYPBNGCOWJXSQX-GOSISDBHSA-N 0 3 317.433 1.794 20 10 DDCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cnccc1N ZINC001209729880 875083822 /nfs/dbraw/zinc/08/38/22/875083822.db2.gz DGIGBNFLJYWRCX-UHFFFAOYSA-N 0 3 312.417 1.963 20 10 DDCDHN CCOC(=O)[C@@H]1CNCCN1Cc1ccc(N(CC)CC)cc1 ZINC001211353698 875763139 /nfs/dbraw/zinc/76/31/39/875763139.db2.gz ICFKTNQDXMDFLU-KRWDZBQOSA-N 0 3 319.449 1.870 20 10 DDCDHN C[C@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000400211756 876498195 /nfs/dbraw/zinc/49/81/95/876498195.db2.gz JVBKDVNVGBRVGV-JSGCOSHPSA-N 0 3 311.451 1.437 20 10 DDCDHN CN(C)c1ccc(CN2CC3(C2)CCOC[C@H]3C(N)=O)cc1 ZINC001276958195 881284434 /nfs/dbraw/zinc/28/44/34/881284434.db2.gz HDLWCUOGEXQAMT-HNNXBMFYSA-N 0 3 303.406 1.076 20 10 DDCDHN CCO[C@@H]1CN(Cc2cc(OC)c(O)cc2O)[C@@H]2CCCO[C@H]12 ZINC001231635221 885772588 /nfs/dbraw/zinc/77/25/88/885772588.db2.gz SDRNEEKRWSGUEF-JLZZUVOBSA-N 0 3 323.389 1.875 20 10 DDCDHN COc1cc(O)c(CN2CCC(NC(N)=O)CC2)cc1OC ZINC001236751623 889332148 /nfs/dbraw/zinc/33/21/48/889332148.db2.gz USGPSWALGSEBPJ-UHFFFAOYSA-N 0 3 309.366 1.042 20 10 DDCDHN COc1cc(C)c(CN2CCN(CC(C)(C)O)CC2)c(O)c1 ZINC001236816710 889372242 /nfs/dbraw/zinc/37/22/42/889372242.db2.gz VIXDMSAPJNNSAF-UHFFFAOYSA-N 0 3 308.422 1.598 20 10 DDCDHN O=C(NCC(F)F)C12CC([NH2+]Cc3cc(F)ccc3[O-])(C1)C2 ZINC001278255715 890287176 /nfs/dbraw/zinc/28/71/76/890287176.db2.gz WXIVKWNRFGKXHA-UHFFFAOYSA-N 0 3 314.307 1.925 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c([O-])c1 ZINC001249177573 893853127 /nfs/dbraw/zinc/85/31/27/893853127.db2.gz DRKNZXAZMBDGPJ-SHTZXODSSA-N 0 3 307.390 1.843 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c([O-])c1 ZINC001249177573 893853158 /nfs/dbraw/zinc/85/31/58/893853158.db2.gz DRKNZXAZMBDGPJ-SHTZXODSSA-N 0 3 307.390 1.843 20 10 DDCDHN CN(CCN1CCOCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000072981081 191264794 /nfs/dbraw/zinc/26/47/94/191264794.db2.gz YFUJWJDGKXFWBW-UHFFFAOYSA-N 0 3 319.449 1.287 20 10 DDCDHN CCOc1ccc(O)c(CN2CCN([C@H](CC)CO)CC2)c1 ZINC000093740316 353904720 /nfs/dbraw/zinc/90/47/20/353904720.db2.gz BSYYIGZWZOOYQO-OAHLLOKOSA-N 0 3 308.422 1.679 20 10 DDCDHN CCCOc1ccc(CN2CCc3n[nH]c(=O)cc3C2)c(O)c1 ZINC000274952743 130276971 /nfs/dbraw/zinc/27/69/71/130276971.db2.gz SMSRRCMEJSFNTE-UHFFFAOYSA-N 0 3 315.373 1.823 20 10 DDCDHN C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000284990736 131129257 /nfs/dbraw/zinc/12/92/57/131129257.db2.gz CJGZCYTUILVWCZ-TZMCWYRMSA-N 0 3 320.389 1.416 20 10 DDCDHN C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000284990736 131129259 /nfs/dbraw/zinc/12/92/59/131129259.db2.gz CJGZCYTUILVWCZ-TZMCWYRMSA-N 0 3 320.389 1.416 20 10 DDCDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1cc2c(cc1O)OCO2 ZINC000284990736 131129261 /nfs/dbraw/zinc/12/92/61/131129261.db2.gz CJGZCYTUILVWCZ-TZMCWYRMSA-N 0 3 320.389 1.416 20 10 DDCDHN Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c([O-])c1O ZINC000378576767 292068450 /nfs/dbraw/zinc/06/84/50/292068450.db2.gz ZNCIZFZVKBETNY-CFVMTHIKSA-N 0 3 316.401 1.963 20 10 DDCDHN Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c([O-])c1O ZINC000378576767 292068452 /nfs/dbraw/zinc/06/84/52/292068452.db2.gz ZNCIZFZVKBETNY-CFVMTHIKSA-N 0 3 316.401 1.963 20 10 DDCDHN Cc1ccc(O)c([C@@H](C)NCCS(=O)(=O)NC(C)C)c1 ZINC000185970637 292165894 /nfs/dbraw/zinc/16/58/94/292165894.db2.gz UYVRFSDBQJZGMM-GFCCVEGCSA-N 0 3 300.424 1.679 20 10 DDCDHN CCOc1cccc(C[NH2+][C@H](C)CCN2CCN(C)CC2)c1[O-] ZINC000185880932 407529585 /nfs/dbraw/zinc/52/95/85/407529585.db2.gz VIJNIYWMLAMDFM-OAHLLOKOSA-N 0 3 321.465 1.907 20 10 DDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000281313526 408879337 /nfs/dbraw/zinc/87/93/37/408879337.db2.gz QQZSQBLFFDOQEG-OCCSQVGLSA-N 0 3 306.362 1.721 20 10 DDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000281313526 408879340 /nfs/dbraw/zinc/87/93/40/408879340.db2.gz QQZSQBLFFDOQEG-OCCSQVGLSA-N 0 3 306.362 1.721 20 10 DDCDHN CCOc1ccc(O)c(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000281313526 408879343 /nfs/dbraw/zinc/87/93/43/408879343.db2.gz QQZSQBLFFDOQEG-OCCSQVGLSA-N 0 3 306.362 1.721 20 10 DDCDHN COc1c([O-])c(CN2CC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292852268 409043561 /nfs/dbraw/zinc/04/35/61/409043561.db2.gz UHIDUJSBDXDJFH-INIZCTEOSA-N 0 3 321.377 1.837 20 10 DDCDHN COc1c([O-])c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292852268 409043564 /nfs/dbraw/zinc/04/35/64/409043564.db2.gz UHIDUJSBDXDJFH-INIZCTEOSA-N 0 3 321.377 1.837 20 10 DDCDHN COc1c([O-])c(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000292852268 409043565 /nfs/dbraw/zinc/04/35/65/409043565.db2.gz UHIDUJSBDXDJFH-INIZCTEOSA-N 0 3 321.377 1.837 20 10 DDCDHN COc1c([O-])c(C[N@H+]2CC[C@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000292852268 409043568 /nfs/dbraw/zinc/04/35/68/409043568.db2.gz UHIDUJSBDXDJFH-INIZCTEOSA-N 0 3 321.377 1.837 20 10 DDCDHN CO[C@@H](CN)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000289597054 409282869 /nfs/dbraw/zinc/28/28/69/409282869.db2.gz NMMDNJWIQWRPJZ-INIZCTEOSA-N 0 3 305.422 1.609 20 10 DDCDHN COC(CN(CCCO)Cc1ccc(N(C)C)c(C)c1)OC ZINC000294577674 409294617 /nfs/dbraw/zinc/29/46/17/409294617.db2.gz MMTUCPQADHTRHM-UHFFFAOYSA-N 0 3 310.438 1.864 20 10 DDCDHN CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295856463 409373463 /nfs/dbraw/zinc/37/34/63/409373463.db2.gz GJOYGLZZFGIQNV-ZDUSSCGKSA-N 0 3 312.435 1.641 20 10 DDCDHN OC[C@H](O)CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000377155979 418705835 /nfs/dbraw/zinc/70/58/35/418705835.db2.gz WEMFPRPZJYNKMF-GOSISDBHSA-N 0 3 312.413 1.692 20 10 DDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000377694897 418713076 /nfs/dbraw/zinc/71/30/76/418713076.db2.gz LTAPEUFYIUGPNI-GFCCVEGCSA-N 0 3 314.389 2.153 20 10 DDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000377694897 418713078 /nfs/dbraw/zinc/71/30/78/418713078.db2.gz LTAPEUFYIUGPNI-GFCCVEGCSA-N 0 3 314.389 2.153 20 10 DDCDHN O=C1CC[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@H](C2CC2)N1 ZINC000370286784 418742632 /nfs/dbraw/zinc/74/26/32/418742632.db2.gz YSCRBZADIOGTAQ-BZNIZROVSA-N 0 3 304.346 1.268 20 10 DDCDHN CCOCc1cc(CNC[C@H](O)[C@H]2CCCO2)ccc1OC ZINC000527759320 421437298 /nfs/dbraw/zinc/43/72/98/421437298.db2.gz SVBMRFVFNKZUGV-DOTOQJQBSA-N 0 3 309.406 1.861 20 10 DDCDHN CCN(CCC[NH2+][C@H]1CCc2cccc([O-])c21)S(C)(=O)=O ZINC000296048460 276344168 /nfs/dbraw/zinc/34/41/68/276344168.db2.gz QZOQGKMFYNLLCC-ZDUSSCGKSA-N 0 3 312.435 1.641 20 10 DDCDHN CNC(=O)CN1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000296024454 277229125 /nfs/dbraw/zinc/22/91/25/277229125.db2.gz PSUIYICZIJCUAY-CQSZACIVSA-N 0 3 303.406 1.180 20 10 DDCDHN C[C@@H](CCN1CCN(C)CC1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296563701 278231700 /nfs/dbraw/zinc/23/17/00/278231700.db2.gz UNKMCIXIFGUVAX-HOCLYGCPSA-N 0 3 303.450 1.995 20 10 DDCDHN CN(C)CCN(C(=O)c1ccoc1CC(N)=O)c1ccccc1 ZINC000352103199 289125987 /nfs/dbraw/zinc/12/59/87/289125987.db2.gz YSJISDCLMJOEEL-UHFFFAOYSA-N 0 3 315.373 1.516 20 10 DDCDHN CCCNC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000158276354 519880559 /nfs/dbraw/zinc/88/05/59/519880559.db2.gz ANABNGNCJYFGQJ-CQSZACIVSA-N 0 3 305.422 1.700 20 10 DDCDHN COc1cc(Cl)cc(CN[C@@H]2CCCS(=O)(=O)C2)c1O ZINC000228675278 697775328 /nfs/dbraw/zinc/77/53/28/697775328.db2.gz JLBJRUGJXZDZPT-LLVKDONJSA-N 0 3 319.810 1.721 20 10 DDCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000228675278 697775332 /nfs/dbraw/zinc/77/53/32/697775332.db2.gz JLBJRUGJXZDZPT-LLVKDONJSA-N 0 3 319.810 1.721 20 10 DDCDHN CN1CCN(Cc2cc(Br)ccc2[O-])[C@H](C[NH3+])C1 ZINC000300437735 698600409 /nfs/dbraw/zinc/60/04/09/698600409.db2.gz MJMAIDROKURRJQ-GFCCVEGCSA-N 0 3 314.227 1.229 20 10 DDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]1C ZINC000787244267 699199588 /nfs/dbraw/zinc/19/95/88/699199588.db2.gz YDBMXYJCHZOYQZ-PXWWUCIGSA-N 0 3 307.346 1.201 20 10 DDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]1C ZINC000787244267 699199591 /nfs/dbraw/zinc/19/95/91/699199591.db2.gz YDBMXYJCHZOYQZ-PXWWUCIGSA-N 0 3 307.346 1.201 20 10 DDCDHN COc1cccc(O)c1CN(C)CCN1CCOC(C)(C)C1 ZINC000789766179 699407384 /nfs/dbraw/zinc/40/73/84/699407384.db2.gz XHTYWRHRZCWDKO-UHFFFAOYSA-N 0 3 308.422 1.943 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@]2(C)CO)cc1 ZINC000759899671 700780535 /nfs/dbraw/zinc/78/05/35/700780535.db2.gz AKTPVYOLPVVJGP-GOSISDBHSA-N 0 3 319.449 1.558 20 10 DDCDHN COC(=O)[C@]1(C)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840185498 702018407 /nfs/dbraw/zinc/01/84/07/702018407.db2.gz PUHROPUKEGMYQG-WMLDXEAASA-N 0 3 321.373 1.593 20 10 DDCDHN COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000840185498 702018414 /nfs/dbraw/zinc/01/84/14/702018414.db2.gz PUHROPUKEGMYQG-WMLDXEAASA-N 0 3 321.373 1.593 20 10 DDCDHN CNC(=O)NC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000840975616 702299297 /nfs/dbraw/zinc/29/92/97/702299297.db2.gz ZQMFKXVYDSUDTD-UHFFFAOYSA-N 0 3 307.350 1.014 20 10 DDCDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841019340 702313110 /nfs/dbraw/zinc/31/31/10/702313110.db2.gz IALPLLUVCDYSAK-STQMWFEESA-N 0 3 318.421 1.444 20 10 DDCDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCC(=O)N(C)C2=O)cc1 ZINC000818361530 702640082 /nfs/dbraw/zinc/64/00/82/702640082.db2.gz KSRDHYMQGANAKO-WFASDCNBSA-N 0 3 303.406 1.941 20 10 DDCDHN COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000866440449 706699833 /nfs/dbraw/zinc/69/98/33/706699833.db2.gz QNJCKWOIMOIFSK-NHCYSSNCSA-N 0 3 306.362 1.035 20 10 DDCDHN CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@H]2C(F)F)c1[O-] ZINC000843385733 702871203 /nfs/dbraw/zinc/87/12/03/702871203.db2.gz QDLNQZWMMYBHQS-LBPRGKRZSA-N 0 3 302.296 1.773 20 10 DDCDHN Cc1cc(CN2CCN(CCN(C)C)C(=O)C2)ccc1N(C)C ZINC000844381196 703023109 /nfs/dbraw/zinc/02/31/09/703023109.db2.gz JIJMJFPUMWKNSW-UHFFFAOYSA-N 0 3 318.465 1.267 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)CN(C)C(C)C)cc1 ZINC000846445676 703277390 /nfs/dbraw/zinc/27/73/90/703277390.db2.gz DEQCWXDKFVXCMO-UHFFFAOYSA-N 0 3 307.438 1.930 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)[C@H](N)CC(C)C)cc1 ZINC000846696816 703319389 /nfs/dbraw/zinc/31/93/89/703319389.db2.gz IAILQIHKYPBDIN-MRXNPFEDSA-N 0 3 307.438 1.963 20 10 DDCDHN CCc1cccc(CN2CCN(C(COC)COC)CC2)c1O ZINC000848916746 703603268 /nfs/dbraw/zinc/60/32/68/703603268.db2.gz MERYZVCTRNDEAO-UHFFFAOYSA-N 0 3 322.449 1.734 20 10 DDCDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000858252300 704685180 /nfs/dbraw/zinc/68/51/80/704685180.db2.gz BDOLGEVAKVPSQN-HUUCEWRRSA-N 0 3 324.446 1.572 20 10 DDCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c([O-])c1 ZINC000876558039 705757773 /nfs/dbraw/zinc/75/77/73/705757773.db2.gz HMRMHLGARKHYKN-MRXNPFEDSA-N 0 3 318.417 1.771 20 10 DDCDHN Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c([O-])c1 ZINC000876558039 705757775 /nfs/dbraw/zinc/75/77/75/705757775.db2.gz HMRMHLGARKHYKN-MRXNPFEDSA-N 0 3 318.417 1.771 20 10 DDCDHN COCc1nc2n(n1)C[C@@H]([NH2+]Cc1c(C)cccc1[O-])CC2 ZINC000877095636 705981458 /nfs/dbraw/zinc/98/14/58/705981458.db2.gz SCKNXSZQWUPFNG-LBPRGKRZSA-N 0 3 302.378 1.543 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000877158907 706002125 /nfs/dbraw/zinc/00/21/25/706002125.db2.gz OIZCMIXZRPAQCL-JSGCOSHPSA-N 0 3 312.435 1.508 20 10 DDCDHN Cc1ccc(O)c(CN2CCN(CCc3cnccn3)CC2)c1 ZINC000877703724 706182947 /nfs/dbraw/zinc/18/29/47/706182947.db2.gz RAPJLCIFVGVCJQ-UHFFFAOYSA-N 0 3 312.417 1.851 20 10 DDCDHN CC(C)(O)C[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000878239872 706335835 /nfs/dbraw/zinc/33/58/35/706335835.db2.gz ALPMSZBCKARQRY-CVEARBPZSA-N 0 3 323.433 1.895 20 10 DDCDHN CC(C)(O)C[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000878239872 706335838 /nfs/dbraw/zinc/33/58/38/706335838.db2.gz ALPMSZBCKARQRY-CVEARBPZSA-N 0 3 323.433 1.895 20 10 DDCDHN CN(C)c1ccc(CN2CCN(Cc3nnc[nH]3)CC2)cc1 ZINC000878810712 706505788 /nfs/dbraw/zinc/50/57/88/706505788.db2.gz ISISROSUWUXVHF-UHFFFAOYSA-N 0 3 300.410 1.189 20 10 DDCDHN CCN(C)c1ccc(CN2CCN(Cc3nnc[nH]3)CC2)cc1 ZINC000878812406 706506447 /nfs/dbraw/zinc/50/64/47/706506447.db2.gz WKIILGXGLBMNOG-UHFFFAOYSA-N 0 3 314.437 1.579 20 10 DDCDHN CCO[C@H]1C[C@@](N)(C(=O)NCCc2ccc(N)cc2)C1(C)C ZINC000832658822 706958111 /nfs/dbraw/zinc/95/81/11/706958111.db2.gz CWWHHXNLNHVXRB-WMLDXEAASA-N 0 3 305.422 1.460 20 10 DDCDHN CS(=O)(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834798486 707121737 /nfs/dbraw/zinc/12/17/37/707121737.db2.gz HCDVJDLOJLKZME-KBPBESRZSA-N 0 3 324.446 1.783 20 10 DDCDHN CN(C)c1ccc(/C=C/CN2CC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000897063363 708220765 /nfs/dbraw/zinc/22/07/65/708220765.db2.gz UGYNEDXSZUWRJE-BWPKMQGJSA-N 0 3 323.462 1.376 20 10 DDCDHN CN(C)c1ccc([C@H](CNCc2nccn2C)N(C)C)cc1 ZINC000898450844 708644103 /nfs/dbraw/zinc/64/41/03/708644103.db2.gz FWWWTIIURRFAJK-INIZCTEOSA-N 0 3 301.438 1.879 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)N[C@H]2C[C@@H](O)C2)N(C)C)cc1 ZINC000899097831 708982331 /nfs/dbraw/zinc/98/23/31/708982331.db2.gz HNSDMEZULYPITI-IMJJTQAJSA-N 0 3 320.437 1.178 20 10 DDCDHN C[C@H](O)CN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899104943 708984663 /nfs/dbraw/zinc/98/46/63/708984663.db2.gz SWWDSYDHZQXXOR-XJKSGUPXSA-N 0 3 322.453 1.378 20 10 DDCDHN Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c(O)c1O ZINC000889760079 709618111 /nfs/dbraw/zinc/61/81/11/709618111.db2.gz BBMAYUBTEZDGCJ-KBPBESRZSA-N 0 3 320.389 1.077 20 10 DDCDHN CC[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H](C)O ZINC000900864538 709796540 /nfs/dbraw/zinc/79/65/40/709796540.db2.gz YZMJDSUIKUVZFI-RRQGHBQHSA-N 0 3 321.465 1.879 20 10 DDCDHN CC(C)[C@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247785 710140738 /nfs/dbraw/zinc/14/07/38/710140738.db2.gz KMWGLNPCFYIKNP-HOTGVXAUSA-N 0 3 307.438 1.488 20 10 DDCDHN Cc1n[nH]cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251595 710141967 /nfs/dbraw/zinc/14/19/67/710141967.db2.gz CBEZBHTZAMPBMU-INIZCTEOSA-N 0 3 315.421 1.817 20 10 DDCDHN COc1ccc(CN2C[C@@H](C)N(CCO)C[C@@H]2C)c(O)c1OC ZINC000894954965 711337275 /nfs/dbraw/zinc/33/72/75/711337275.db2.gz FCCCNRWMDBLUSE-OLZOCXBDSA-N 0 3 324.421 1.296 20 10 DDCDHN C[C@@H](NCC=Cc1ccc(N(C)C)cc1)c1n[nH]c(=O)n1C ZINC000895172817 711441898 /nfs/dbraw/zinc/44/18/98/711441898.db2.gz SGJXZXBDSOJNCG-BTDICHCPSA-N 0 3 301.394 1.951 20 10 DDCDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CCN1C ZINC000915367072 713417525 /nfs/dbraw/zinc/41/75/25/713417525.db2.gz VHHHYZXEKKYMRL-BXUZGUMPSA-N 0 3 308.401 1.784 20 10 DDCDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)C1(O)CCOCC1 ZINC000930350671 713811390 /nfs/dbraw/zinc/81/13/90/713811390.db2.gz ITZYZZACZYTNOB-KRWDZBQOSA-N 0 3 323.433 1.897 20 10 DDCDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)C1(O)CCOCC1 ZINC000930350671 713811393 /nfs/dbraw/zinc/81/13/93/713811393.db2.gz ITZYZZACZYTNOB-KRWDZBQOSA-N 0 3 323.433 1.897 20 10 DDCDHN C[C@@H]1[C@H](CO)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001193898142 746231189 /nfs/dbraw/zinc/23/11/89/746231189.db2.gz JKVGABNEWBMDHE-HIFRSBDPSA-N 0 3 305.422 1.072 20 10 DDCDHN C[C@@H](CNCCF)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268098064 839686605 /nfs/dbraw/zinc/68/66/05/839686605.db2.gz NUPOJAZBCZNJDF-JTQLQIEISA-N 0 3 309.345 1.869 20 10 DDCDHN COCCN(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001272185819 844683763 /nfs/dbraw/zinc/68/37/63/844683763.db2.gz SVZUNCBGHGXXOL-UHFFFAOYSA-N 0 3 321.381 1.499 20 10 DDCDHN COc1cc([O-])c(CN2C[C@@H]3C[C@]3([NH3+])C2)cc1Br ZINC001236021357 846518702 /nfs/dbraw/zinc/51/87/02/846518702.db2.gz BHKILWKHCFGZOG-ZANVPECISA-N 0 3 313.195 1.696 20 10 DDCDHN Oc1ccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)c(O)c1 ZINC001275952278 854006214 /nfs/dbraw/zinc/00/62/14/854006214.db2.gz CBOJOJMCOLMNCB-GASCZTMLSA-N 0 3 314.389 1.670 20 10 DDCDHN CCN1CCN(c2ccc(CN3CC[C@@](F)(CO)C3)cc2)CC1 ZINC001140302203 860614527 /nfs/dbraw/zinc/61/45/27/860614527.db2.gz MWNLTBJMDDFFBR-SFHVURJKSA-N 0 3 321.440 1.735 20 10 DDCDHN Cc1ccc(O)c(CN2CCC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)c1 ZINC001140620685 860663218 /nfs/dbraw/zinc/66/32/18/860663218.db2.gz XYUKWRGKIMQBCT-HIFRSBDPSA-N 0 3 324.446 1.556 20 10 DDCDHN CCN(C)C(=O)CO[C@@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141162832 860799353 /nfs/dbraw/zinc/79/93/53/860799353.db2.gz GTADTIQWVVZDQD-OAHLLOKOSA-N 0 3 322.405 1.557 20 10 DDCDHN COCC(=O)N[C@@H]1CCCN(Cc2cccc(OC)c2O)C1 ZINC001203601764 870663966 /nfs/dbraw/zinc/66/39/66/870663966.db2.gz KHBKREDVXSIMAX-CYBMUJFWSA-N 0 3 308.378 1.128 20 10 DDCDHN O=C(C1CC[NH+](Cc2ccc(O)cc2[O-])CC1)N1CCCC1 ZINC001204275614 871034382 /nfs/dbraw/zinc/03/43/82/871034382.db2.gz XFYNBIUABJWKMS-UHFFFAOYSA-N 0 3 304.390 1.932 20 10 DDCDHN N[C@H]1CN(Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1F ZINC001204823571 871248843 /nfs/dbraw/zinc/24/88/43/871248843.db2.gz KVILYUHIPLRBQI-CABCVRRESA-N 0 3 305.397 1.572 20 10 DDCDHN COc1cc(C)c(C[NH+]2CCC(c3nnnn3C)CC2)c([O-])c1 ZINC001207434379 873262385 /nfs/dbraw/zinc/26/23/85/873262385.db2.gz YKTZVOSXZWOCCX-UHFFFAOYSA-N 0 3 317.393 1.612 20 10 DDCDHN O=C1CCCCN1C1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233486499 887018791 /nfs/dbraw/zinc/01/87/91/887018791.db2.gz OSBLHWUPMQOQKL-UHFFFAOYSA-N 0 3 320.389 1.780 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](O)[C@H](CO)C3)c2c1 ZINC001234526088 888057718 /nfs/dbraw/zinc/05/77/18/888057718.db2.gz QGJUSFMTBLBIRO-GUYCJALGSA-N 0 3 317.385 1.729 20 10 DDCDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](O)[C@H](CO)C3)c2c1 ZINC001234526088 888057730 /nfs/dbraw/zinc/05/77/30/888057730.db2.gz QGJUSFMTBLBIRO-GUYCJALGSA-N 0 3 317.385 1.729 20 10 DDCDHN C[N@@H+](Cc1cc(O)c(Br)cc1[O-])CC1COC1 ZINC001236770507 889346393 /nfs/dbraw/zinc/34/63/93/889346393.db2.gz IEHIRVMVCBFPEB-UHFFFAOYSA-N 0 3 302.168 1.939 20 10 DDCDHN C[N@H+](Cc1cc(O)c(Br)cc1[O-])CC1COC1 ZINC001236770507 889346413 /nfs/dbraw/zinc/34/64/13/889346413.db2.gz IEHIRVMVCBFPEB-UHFFFAOYSA-N 0 3 302.168 1.939 20 10 DDCDHN COC(=O)N1CCCN(Cc2c(C)cc(OC)cc2O)CC1 ZINC001236808307 889364079 /nfs/dbraw/zinc/36/40/79/889364079.db2.gz OYMQGUPNQMBMJP-UHFFFAOYSA-N 0 3 308.378 1.983 20 10 DDCDHN COC(=O)[C@@H]1C[C@H](NCc2ccc(N3CCCC3)cc2)CN1 ZINC001246178584 892463606 /nfs/dbraw/zinc/46/36/06/892463606.db2.gz YMRHIKDPNBEKGB-HOCLYGCPSA-N 0 3 303.406 1.280 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)c([O-])c1 ZINC001249177787 893852351 /nfs/dbraw/zinc/85/23/51/893852351.db2.gz JJFWQHFZVKNJBA-CYBMUJFWSA-N 0 3 307.346 1.103 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](C(=O)OC)C2)c([O-])c1 ZINC001249177787 893852369 /nfs/dbraw/zinc/85/23/69/893852369.db2.gz JJFWQHFZVKNJBA-CYBMUJFWSA-N 0 3 307.346 1.103 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c([O-])c1 ZINC001249207775 893867637 /nfs/dbraw/zinc/86/76/37/893867637.db2.gz IRKIRJHDFWTSFZ-HOCLYGCPSA-N 0 3 305.374 1.719 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c([O-])c1 ZINC001249207775 893867655 /nfs/dbraw/zinc/86/76/55/893867655.db2.gz IRKIRJHDFWTSFZ-HOCLYGCPSA-N 0 3 305.374 1.719 20 10 DDCDHN COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c([O-])c1 ZINC001249208545 893868711 /nfs/dbraw/zinc/86/87/11/893868711.db2.gz VPNUDCOIBSUZAJ-HNNXBMFYSA-N 0 3 307.390 1.843 20 10 DDCDHN COC(=O)Cc1ccc(C[N@H+]2CCC[C@H]2C(C)(C)O)c([O-])c1 ZINC001249208545 893868730 /nfs/dbraw/zinc/86/87/30/893868730.db2.gz VPNUDCOIBSUZAJ-HNNXBMFYSA-N 0 3 307.390 1.843 20 10 DDCDHN C[C@@H](NCC1(CO)COC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090644573 353796979 /nfs/dbraw/zinc/79/69/79/353796979.db2.gz COSKROQNPDKQDV-CYBMUJFWSA-N 0 3 324.396 1.322 20 10 DDCDHN NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc2c(cc1O)OCO2 ZINC000371413426 283331367 /nfs/dbraw/zinc/33/13/67/283331367.db2.gz SFBCBPADRWCTGS-WXHSDQCUSA-N 0 3 318.373 1.739 20 10 DDCDHN COc1cccc(C[NH+]2CCC(Cn3ccnn3)CC2)c1[O-] ZINC000092098625 407186425 /nfs/dbraw/zinc/18/64/25/407186425.db2.gz JDOMUGBDDDCOJK-UHFFFAOYSA-N 0 3 302.378 1.905 20 10 DDCDHN CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000179558796 407806549 /nfs/dbraw/zinc/80/65/49/407806549.db2.gz MSEZYTFHPFSJCS-AWEZNQCLSA-N 0 3 312.435 1.686 20 10 DDCDHN CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000179558796 407806556 /nfs/dbraw/zinc/80/65/56/407806556.db2.gz MSEZYTFHPFSJCS-AWEZNQCLSA-N 0 3 312.435 1.686 20 10 DDCDHN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCN(C2CC2)CC1 ZINC000180996028 407943415 /nfs/dbraw/zinc/94/34/15/407943415.db2.gz WTBABAVWDUPBRN-XVNBXDOJSA-N 0 3 302.374 1.808 20 10 DDCDHN CNS(=O)(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000276028642 408753552 /nfs/dbraw/zinc/75/35/52/408753552.db2.gz ODESZEDQRQOPME-UHFFFAOYSA-N 0 3 320.414 1.698 20 10 DDCDHN COCCOCCOCCN(C)Cc1cccc(OC)c1O ZINC000276134022 408822226 /nfs/dbraw/zinc/82/22/26/408822226.db2.gz DCJJEHFDELKYKJ-UHFFFAOYSA-N 0 3 313.394 1.512 20 10 DDCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H](O)CC2)cc1 ZINC000293151418 409058915 /nfs/dbraw/zinc/05/89/15/409058915.db2.gz OFZSVPNQMBIIGF-KRWDZBQOSA-N 0 3 319.449 1.558 20 10 DDCDHN COc1cccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290490711 409420558 /nfs/dbraw/zinc/42/05/58/409420558.db2.gz OOASPAGQTBSBEX-CQSZACIVSA-N 0 3 304.390 1.845 20 10 DDCDHN COc1cccc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290490711 409420561 /nfs/dbraw/zinc/42/05/61/409420561.db2.gz OOASPAGQTBSBEX-CQSZACIVSA-N 0 3 304.390 1.845 20 10 DDCDHN CC[C@H](CNS(C)(=O)=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000296549551 409614227 /nfs/dbraw/zinc/61/42/27/409614227.db2.gz RKLXCXZEZPZZLC-TZMCWYRMSA-N 0 3 313.467 1.731 20 10 DDCDHN CNC(=O)C[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000299169990 410555391 /nfs/dbraw/zinc/55/53/91/410555391.db2.gz RONPXQQMQXEYPP-LBPRGKRZSA-N 0 3 323.412 1.401 20 10 DDCDHN O=C1NC(=O)[C@]2(CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)N1 ZINC000361152705 418593699 /nfs/dbraw/zinc/59/36/99/418593699.db2.gz FBCVNAWLPDTOBV-QGZVFWFLSA-N 0 3 311.341 1.329 20 10 DDCDHN O=C1NC(=O)[C@]2(CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)N1 ZINC000361152705 418593703 /nfs/dbraw/zinc/59/37/03/418593703.db2.gz FBCVNAWLPDTOBV-QGZVFWFLSA-N 0 3 311.341 1.329 20 10 DDCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1OC ZINC000378450742 418723587 /nfs/dbraw/zinc/72/35/87/418723587.db2.gz CWRCWJFIMSDAQR-CXAGYDPISA-N 0 3 323.389 1.837 20 10 DDCDHN CCOc1cccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1[O-] ZINC000368686346 418724856 /nfs/dbraw/zinc/72/48/56/418724856.db2.gz WEBWAMFTLWVEQT-OAHLLOKOSA-N 0 3 306.406 1.744 20 10 DDCDHN COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)nn1 ZINC000372039558 418833147 /nfs/dbraw/zinc/83/31/47/418833147.db2.gz UCRLTJBKLOJSHO-ZDUSSCGKSA-N 0 3 316.361 1.607 20 10 DDCDHN COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)nn1 ZINC000372039558 418833148 /nfs/dbraw/zinc/83/31/48/418833148.db2.gz UCRLTJBKLOJSHO-ZDUSSCGKSA-N 0 3 316.361 1.607 20 10 DDCDHN CC(C)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)C(=O)N1CCCC1 ZINC000527807992 421444269 /nfs/dbraw/zinc/44/42/69/421444269.db2.gz FDFPLBXUKWKRPF-UHFFFAOYSA-N 0 3 320.389 1.859 20 10 DDCDHN CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c1[O-] ZINC000370259099 276380467 /nfs/dbraw/zinc/38/04/67/276380467.db2.gz BCTCIJICJIGEOV-CJNGLKHVSA-N 0 3 304.390 1.938 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000368008119 288167335 /nfs/dbraw/zinc/16/73/35/288167335.db2.gz HXPMVPBRHIYXSJ-WBMJQRKESA-N 0 3 303.362 1.469 20 10 DDCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000368008119 288167340 /nfs/dbraw/zinc/16/73/40/288167340.db2.gz HXPMVPBRHIYXSJ-WBMJQRKESA-N 0 3 303.362 1.469 20 10 DDCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c1[O-] ZINC000365654546 522536347 /nfs/dbraw/zinc/53/63/47/522536347.db2.gz RHPPZTMMHUFDHX-ZYHUDNBSSA-N 0 3 310.781 1.622 20 10 DDCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c1[O-] ZINC000365654546 522536360 /nfs/dbraw/zinc/53/63/60/522536360.db2.gz RHPPZTMMHUFDHX-ZYHUDNBSSA-N 0 3 310.781 1.622 20 10 DDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000186166521 525361624 /nfs/dbraw/zinc/36/16/24/525361624.db2.gz WMMLSGDTLHPPST-CHWSQXEVSA-N 0 3 312.435 1.633 20 10 DDCDHN NC(=O)NC(=O)CCN(Cc1ccco1)Cc1ccccc1O ZINC000109761266 696638194 /nfs/dbraw/zinc/63/81/94/696638194.db2.gz RDKNTOLCWWKEGE-UHFFFAOYSA-N 0 3 317.345 1.572 20 10 DDCDHN CN(C)C1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCC1 ZINC000158785001 697304094 /nfs/dbraw/zinc/30/40/94/697304094.db2.gz DJHUYZSRULLCRE-UHFFFAOYSA-N 0 3 317.433 1.624 20 10 DDCDHN CC[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccccc1[O-] ZINC000775518053 698005378 /nfs/dbraw/zinc/00/53/78/698005378.db2.gz CNLMXMSAIQBFHE-AWEZNQCLSA-N 0 3 312.435 1.859 20 10 DDCDHN C[C@H](O)C[NH+]1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792167151 699679715 /nfs/dbraw/zinc/67/97/15/699679715.db2.gz BSPJXFTVWAECBO-JTQLQIEISA-N 0 3 302.777 1.683 20 10 DDCDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCCS2(=O)=O)c([O-])c1 ZINC000756689976 700635475 /nfs/dbraw/zinc/63/54/75/700635475.db2.gz WKISWMQGEIFLSQ-ZDUSSCGKSA-N 0 3 312.435 1.777 20 10 DDCDHN CC[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1O ZINC000761124560 700845448 /nfs/dbraw/zinc/84/54/48/700845448.db2.gz NFAHOLVLMGJRSM-WBVHZDCISA-N 0 3 319.449 1.414 20 10 DDCDHN C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765596797 701020616 /nfs/dbraw/zinc/02/06/16/701020616.db2.gz YGGRARVFSFVGGK-TZMCWYRMSA-N 0 3 321.396 1.544 20 10 DDCDHN C[C@H](N[C@H]1CCCN(C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000766438975 701050818 /nfs/dbraw/zinc/05/08/18/701050818.db2.gz UKHVGAREUYPFNM-YOEHRIQHSA-N 0 3 317.433 1.795 20 10 DDCDHN O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)C1CC1 ZINC000809784117 701689216 /nfs/dbraw/zinc/68/92/16/701689216.db2.gz HGZFDFNJNGVRRW-ZDUSSCGKSA-N 0 3 324.446 1.686 20 10 DDCDHN O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)C1CC1 ZINC000809784117 701689217 /nfs/dbraw/zinc/68/92/17/701689217.db2.gz HGZFDFNJNGVRRW-ZDUSSCGKSA-N 0 3 324.446 1.686 20 10 DDCDHN CCOc1ccc(C[NH+]2CCC(C(=O)NCCO)CC2)c([O-])c1 ZINC000768315894 701168339 /nfs/dbraw/zinc/16/83/39/701168339.db2.gz ICXBSEIBPRVDKS-UHFFFAOYSA-N 0 3 322.405 1.111 20 10 DDCDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]2C(C)(C)O)cc1 ZINC000839524192 701724364 /nfs/dbraw/zinc/72/43/64/701724364.db2.gz DAFCPMHIYVNMLM-MRXNPFEDSA-N 0 3 319.449 1.604 20 10 DDCDHN CC[C@@H]([NH2+]CCC(=O)NCCC(=O)OC)c1ccccc1[O-] ZINC000839540848 701729899 /nfs/dbraw/zinc/72/98/99/701729899.db2.gz NPEWJEVVXHERDL-CYBMUJFWSA-N 0 3 308.378 1.502 20 10 DDCDHN Cc1cc(N(C)C)ccc1CN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000840940804 702287173 /nfs/dbraw/zinc/28/71/73/702287173.db2.gz GFZPWNMZUJABJR-HZPDHXFCSA-N 0 3 305.466 1.948 20 10 DDCDHN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](N)C3CCC3)C2)cc1 ZINC000818269573 702621589 /nfs/dbraw/zinc/62/15/89/702621589.db2.gz FEXDSXQNEGHPDE-GUYCJALGSA-N 0 3 317.433 1.765 20 10 DDCDHN COc1cccc([C@H](C)NCC(=O)NCC(F)(F)F)c1O ZINC000846141519 703242012 /nfs/dbraw/zinc/24/20/12/703242012.db2.gz KWKDKQJGNMHKJS-QMMMGPOBSA-N 0 3 306.284 1.730 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)[C@@H](N)C2CCC2)cc1 ZINC000846695884 703319202 /nfs/dbraw/zinc/31/92/02/703319202.db2.gz BKVYYVUCDJTRON-INIZCTEOSA-N 0 3 305.422 1.717 20 10 DDCDHN C[C@H]([NH2+]CC(=O)NCC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000879650689 706749662 /nfs/dbraw/zinc/74/96/62/706749662.db2.gz NPLXTNWXIZLBQN-NSHDSACASA-N 0 3 308.378 1.501 20 10 DDCDHN C[C@@H]([NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)c1ccccc1[O-] ZINC000879649405 706749711 /nfs/dbraw/zinc/74/97/11/706749711.db2.gz QVTUHKVRACYMLM-IUODEOHRSA-N 0 3 304.390 1.680 20 10 DDCDHN Cc1cc(O)c(CN2CCN(c3nncn3C)CC2)cc1C ZINC000848497248 703557902 /nfs/dbraw/zinc/55/79/02/703557902.db2.gz KDDFICREFFTOIU-UHFFFAOYSA-N 0 3 301.394 1.460 20 10 DDCDHN CCOc1ccc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c([O-])c1 ZINC000848577171 703564460 /nfs/dbraw/zinc/56/44/60/703564460.db2.gz BBTIZNSGWFLISX-CQSZACIVSA-N 0 3 306.362 1.864 20 10 DDCDHN COc1ccc(N2CCN(C[C@H](OC)[C@@H]3CCOC3)CC2)cc1 ZINC000851714699 703835186 /nfs/dbraw/zinc/83/51/86/703835186.db2.gz TWJARHBEGJRXNK-QAPCUYQASA-N 0 3 320.433 1.869 20 10 DDCDHN COc1ccc(N(C)CCN(C)C(=O)CN2CCCC2)cc1 ZINC000824207665 705399463 /nfs/dbraw/zinc/39/94/63/705399463.db2.gz CYHAKZQPHIFEMW-UHFFFAOYSA-N 0 3 305.422 1.686 20 10 DDCDHN COc1ccnc(N2CCN(Cc3c(C)cccc3O)CC2)n1 ZINC000876569511 705762372 /nfs/dbraw/zinc/76/23/72/705762372.db2.gz ZFKYLVSOVQABJY-UHFFFAOYSA-N 0 3 314.389 1.821 20 10 DDCDHN COC(=O)[C@@]1(OC)CCN(Cc2cc(OC)c(C)cc2O)C1 ZINC000863298516 705894896 /nfs/dbraw/zinc/89/48/96/705894896.db2.gz YYQKDUFDSLPGIA-MRXNPFEDSA-N 0 3 309.362 1.473 20 10 DDCDHN CN(C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)c1ccc(N)cc1 ZINC000877077982 705977739 /nfs/dbraw/zinc/97/77/39/705977739.db2.gz XQYRKEDFCKQRNN-JKIFEVAISA-N 0 3 303.406 1.764 20 10 DDCDHN COc1cccc(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827544837 706023456 /nfs/dbraw/zinc/02/34/56/706023456.db2.gz LRAGKOKJDPUYIH-CYBMUJFWSA-N 0 3 307.394 1.589 20 10 DDCDHN CCOc1cccc(CN2CC[C@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827544903 706023658 /nfs/dbraw/zinc/02/36/58/706023658.db2.gz NRGRGHUJRATLME-AWEZNQCLSA-N 0 3 321.421 1.979 20 10 DDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000877653873 706171387 /nfs/dbraw/zinc/17/13/87/706171387.db2.gz QJQAFLUSWORVMS-ZDUSSCGKSA-N 0 3 324.388 1.507 20 10 DDCDHN O=C(CNC[C@@H]1CCCO1)NCc1c(O)ccc2c1CCCC2 ZINC000830597506 706541243 /nfs/dbraw/zinc/54/12/43/706541243.db2.gz MAIYXZBVGGQLHJ-AWEZNQCLSA-N 0 3 318.417 1.656 20 10 DDCDHN O=C1NCCC2(CCN(Cc3cc4c(cc3O)OCO4)CC2)O1 ZINC000897012621 708207464 /nfs/dbraw/zinc/20/74/64/708207464.db2.gz AGSZUOBQHBCVQX-UHFFFAOYSA-N 0 3 320.345 1.585 20 10 DDCDHN CN(C)c1ccc(/C=C\CN2CC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000897063364 708220961 /nfs/dbraw/zinc/22/09/61/708220961.db2.gz UGYNEDXSZUWRJE-JZIMQPMSSA-N 0 3 323.462 1.376 20 10 DDCDHN COc1cccc(C[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1O ZINC000898158766 708560538 /nfs/dbraw/zinc/56/05/38/708560538.db2.gz DWPRXODIMOZUBP-LBPRGKRZSA-N 0 3 316.361 1.265 20 10 DDCDHN CC[C@@H](NCc1nnc2c(=O)[nH]ccn12)c1ccc(F)cc1O ZINC000886704595 708818167 /nfs/dbraw/zinc/81/81/67/708818167.db2.gz JVULTAYQBLLYGP-LLVKDONJSA-N 0 3 317.324 1.503 20 10 DDCDHN CCC[C@@H](N)c1cn(Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000900603322 709672937 /nfs/dbraw/zinc/67/29/37/709672937.db2.gz GIUBBGUQPXTUHR-MRXNPFEDSA-N 0 3 315.421 1.963 20 10 DDCDHN CN(C)c1ccc([C@H](CNC(=O)COCC2CC2)N(C)C)cc1 ZINC000891251659 710141913 /nfs/dbraw/zinc/14/19/13/710141913.db2.gz DGHWJCPXRLKKQN-KRWDZBQOSA-N 0 3 319.449 1.898 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)C2CCOCC2)N(C)C)cc1 ZINC000891252067 710142604 /nfs/dbraw/zinc/14/26/04/710142604.db2.gz FMYNBFSSHCSWNU-QGZVFWFLSA-N 0 3 319.449 1.898 20 10 DDCDHN CCCOCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254797 710143281 /nfs/dbraw/zinc/14/32/81/710143281.db2.gz JPEDDNOLRYMBAB-MRXNPFEDSA-N 0 3 307.438 1.898 20 10 DDCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnsn2)N(C)C)cc1 ZINC000891254752 710143373 /nfs/dbraw/zinc/14/33/73/710143373.db2.gz IYDCDPHIHOOHGG-CQSZACIVSA-N 0 3 319.434 1.637 20 10 DDCDHN CC[C@H](OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256369 710143564 /nfs/dbraw/zinc/14/35/64/710143564.db2.gz XOXXQSWSEGCGAK-CVEARBPZSA-N 0 3 307.438 1.897 20 10 DDCDHN COc1ccc(CNCC2(S(C)(=O)=O)CC2)c(O)c1OC ZINC000894155256 710990464 /nfs/dbraw/zinc/99/04/64/710990464.db2.gz AKYRLJLOGGRSJX-UHFFFAOYSA-N 0 3 315.391 1.076 20 10 DDCDHN C[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(F)ccc1[O-] ZINC000903399491 711114411 /nfs/dbraw/zinc/11/44/11/711114411.db2.gz XBPAMZBPEIBAJZ-PWSUYJOCSA-N 0 3 318.352 1.956 20 10 DDCDHN C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cnn(C)n1 ZINC000903449401 711131017 /nfs/dbraw/zinc/13/10/17/711131017.db2.gz YITZYPFVQJFSGF-CXAGYDPISA-N 0 3 316.453 1.835 20 10 DDCDHN CCN(CC)c1ccc(CN2C[C@H](O)C[C@@]2(C)CO)cc1F ZINC000895327156 711485381 /nfs/dbraw/zinc/48/53/81/711485381.db2.gz APONLRWMALHVFC-PBHICJAKSA-N 0 3 310.413 1.990 20 10 DDCDHN CCCONC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895516847 711531563 /nfs/dbraw/zinc/53/15/63/711531563.db2.gz WLVUZUSXFBBLIR-OAHLLOKOSA-N 0 3 308.426 1.996 20 10 DDCDHN CC(C)[NH2+]C1(CO)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000908600890 712818737 /nfs/dbraw/zinc/81/87/37/712818737.db2.gz XIBLVFFNBTXWKG-UHFFFAOYSA-N 0 3 308.378 1.063 20 10 DDCDHN CS(=O)(=O)N1CC[C@@H](NCc2ccc3c(c2)CCCO3)C1 ZINC000922216639 713994035 /nfs/dbraw/zinc/99/40/35/713994035.db2.gz VNGYGWYUWZCJOI-CQSZACIVSA-N 0 3 310.419 1.135 20 10 DDCDHN CCN1CCC[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000925290475 714794682 /nfs/dbraw/zinc/79/46/82/714794682.db2.gz CBBWXQFGNPADKX-CQSZACIVSA-N 0 3 317.389 1.641 20 10 DDCDHN